smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1 ZINC000367683943 1118056380 /nfs/dbraw/zinc/05/63/80/1118056380.db2.gz DWVRVRGLXKEJGJ-NXOAAHMSSA-N 1 0 273.420 3.646 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCO2 ZINC000192750489 1123815412 /nfs/dbraw/zinc/81/54/12/1123815412.db2.gz CIFKZOBRZMLHJJ-SWLSCSKDSA-N 1 0 297.354 3.590 10 0 CHAERO C[N@H+](CCCCCn1cccn1)Cc1ccc(Cl)cc1 ZINC000104662114 1123819069 /nfs/dbraw/zinc/81/90/69/1123819069.db2.gz NHUSGZVEULRWFT-UHFFFAOYSA-N 1 0 291.826 3.839 10 0 CHAERO [NH3+][C@@H](c1cc(Cl)ccc1Br)C1CC1 ZINC000095665094 185017374 /nfs/dbraw/zinc/01/73/74/185017374.db2.gz DKKSONHIYWESJP-SNVBAGLBSA-N 1 0 260.562 3.512 10 0 CHAERO CC(C)[NH2+]Cc1sc([C@@H]2CCCO2)nc1C(C)C ZINC000082430612 178008488 /nfs/dbraw/zinc/00/84/88/178008488.db2.gz GXHLLGODQSJJIF-NSHDSACASA-N 1 0 268.426 3.616 10 0 CHAERO CC(C)c1nc(N2CCCC[C@@H]2C)sc1C[NH2+]C1CC1 ZINC000082434783 178012371 /nfs/dbraw/zinc/01/23/71/178012371.db2.gz HZWGMCAHAXISEX-LBPRGKRZSA-N 1 0 293.480 3.897 10 0 CHAERO CCCc1nc(C(C)(C)C)c(C[NH2+]C2CC2)s1 ZINC000082438949 178016900 /nfs/dbraw/zinc/01/69/00/178016900.db2.gz UZOGTHIOAVZBAJ-UHFFFAOYSA-N 1 0 252.427 3.645 10 0 CHAERO CCC[NH2+]Cc1sc(CCC)nc1C(C)(C)C ZINC000082438947 178017367 /nfs/dbraw/zinc/01/73/67/178017367.db2.gz ADNNJKITRJIVKL-UHFFFAOYSA-N 1 0 254.443 3.893 10 0 CHAERO CC[C@H](CSC(F)(F)F)[NH2+]Cc1ccc(F)cc1 ZINC000095918326 185030680 /nfs/dbraw/zinc/03/06/80/185030680.db2.gz UGFTWDPYVWVCAJ-LLVKDONJSA-N 1 0 281.318 3.947 10 0 CHAERO [NH3+]CCCCc1nc(-c2ccc(Cl)s2)cs1 ZINC000082578217 178118210 /nfs/dbraw/zinc/11/82/10/178118210.db2.gz LUQIGHWLMMWHPB-UHFFFAOYSA-N 1 0 272.826 3.806 10 0 CHAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1ccc(Cl)cc1 ZINC000082660963 178147298 /nfs/dbraw/zinc/14/72/98/178147298.db2.gz KZMSPYDVXWPGFG-UHFFFAOYSA-N 1 0 277.799 3.580 10 0 CHAERO Cc1ccccc1-n1ncc(C[NH2+]C(C)C)c1C(F)(F)F ZINC000082661564 178148637 /nfs/dbraw/zinc/14/86/37/178148637.db2.gz CATPUOJSDNGIGX-UHFFFAOYSA-N 1 0 297.324 3.698 10 0 CHAERO CC(C)C[NH2+]Cc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000082661523 178148879 /nfs/dbraw/zinc/14/88/79/178148879.db2.gz PQTXWRPEJDOOBW-UHFFFAOYSA-N 1 0 297.324 3.637 10 0 CHAERO COc1ccc(-c2cc([C@@H](C)[NH3+])ccc2F)cc1OC ZINC000082708281 178216941 /nfs/dbraw/zinc/21/69/41/178216941.db2.gz ILZGJHQFQNVQJW-SNVBAGLBSA-N 1 0 275.323 3.530 10 0 CHAERO O[C@@H](c1ccc(Cl)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000083140637 178340783 /nfs/dbraw/zinc/34/07/83/178340783.db2.gz UAJKLBVHYUCTDY-MEDUHNTESA-N 1 0 275.779 3.526 10 0 CHAERO C[C@@H]([NH3+])c1cc2ccc(Br)cc2s1 ZINC000096884430 185120299 /nfs/dbraw/zinc/12/02/99/185120299.db2.gz CTADMYOAXQCLKM-ZCFIWIBFSA-N 1 0 256.168 3.684 10 0 CHAERO C[C@H]([NH3+])c1cc2ccc(Br)cc2s1 ZINC000096884429 185120572 /nfs/dbraw/zinc/12/05/72/185120572.db2.gz CTADMYOAXQCLKM-LURJTMIESA-N 1 0 256.168 3.684 10 0 CHAERO COc1cc(CC(C)C)c(OC)c2c1C(C)(C)C[NH2+][C@H]2C ZINC000096889028 185123942 /nfs/dbraw/zinc/12/39/42/185123942.db2.gz PRDZQBPZMSSKDM-LBPRGKRZSA-N 1 0 291.435 3.844 10 0 CHAERO COc1c(CC[NH2+]C(C)C)cc(C)cc1C(C)(C)C ZINC000098131099 185692258 /nfs/dbraw/zinc/69/22/58/185692258.db2.gz BLISITPCSYRUGO-UHFFFAOYSA-N 1 0 263.425 3.842 10 0 CHAERO CCC1(C)CC[NH+]([C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000103977682 185873555 /nfs/dbraw/zinc/87/35/55/185873555.db2.gz BYIOWDNQXYSNKM-JYJNAYRXSA-N 1 0 267.457 3.684 10 0 CHAERO CCC[NH2+][C@H](CCC)CN(CC)c1ccc(C)cc1 ZINC000103989968 185877303 /nfs/dbraw/zinc/87/73/03/185877303.db2.gz SUFODYMOAULPLY-MRXNPFEDSA-N 1 0 262.441 3.990 10 0 CHAERO CCCC[C@H](CC)C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000104001964 185879059 /nfs/dbraw/zinc/87/90/59/185879059.db2.gz SWEFDKUCCYMDBN-HOTGVXAUSA-N 1 0 256.478 3.769 10 0 CHAERO CC[NH2+][C@H](c1cccs1)[C@@H]1CCOc2ccccc21 ZINC000104203681 185930427 /nfs/dbraw/zinc/93/04/27/185930427.db2.gz RMPGHBRDPYVNOM-CJNGLKHVSA-N 1 0 273.401 3.965 10 0 CHAERO CC[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@H](C)CC ZINC000104205286 185930958 /nfs/dbraw/zinc/93/09/58/185930958.db2.gz RFNMCMPAXLMRAX-RISCZKNCSA-N 1 0 269.816 3.915 10 0 CHAERO CCCN(c1cccc(Cl)c1C[C@@H]([NH3+])CC)C1CC1 ZINC000104278342 185952151 /nfs/dbraw/zinc/95/21/51/185952151.db2.gz WNGDCBMFTXQUPO-LBPRGKRZSA-N 1 0 280.843 3.999 10 0 CHAERO CCCCSc1nc2ccccn2c1C[NH2+]C(C)C ZINC000104302887 185960225 /nfs/dbraw/zinc/96/02/25/185960225.db2.gz MFRWSQJGUPAXLF-UHFFFAOYSA-N 1 0 277.437 3.725 10 0 CHAERO CCC(CC)[C@@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000104435988 186001559 /nfs/dbraw/zinc/00/15/59/186001559.db2.gz ICCIGQIWJMFZAF-LLVKDONJSA-N 1 0 282.815 3.693 10 0 CHAERO C[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000104442829 186004073 /nfs/dbraw/zinc/00/40/73/186004073.db2.gz QYTMXRZCUIRUET-WFASDCNBSA-N 1 0 261.409 3.954 10 0 CHAERO COc1ccc2c(c1)[C@H](Cc1ccccc1)[NH2+]CCC2 ZINC000091692814 180228790 /nfs/dbraw/zinc/22/87/90/180228790.db2.gz ORQIKUGAUWLXJI-SFHVURJKSA-N 1 0 267.372 3.515 10 0 CHAERO COc1cc(C)c(Cl)cc1CCC[NH2+]C(C)C ZINC000107296141 186167961 /nfs/dbraw/zinc/16/79/61/186167961.db2.gz JIEXKEUBNHDZBW-UHFFFAOYSA-N 1 0 255.789 3.588 10 0 CHAERO CCc1cccc2c(CCC[NH2+]C3CC3)c(C)[nH]c21 ZINC000107296330 186168171 /nfs/dbraw/zinc/16/81/71/186168171.db2.gz DMGJGUFVFPMKFG-UHFFFAOYSA-N 1 0 256.393 3.723 10 0 CHAERO COc1ccc(Cl)c2c1CCC(C[NH+]1CCCC1)=C2 ZINC000169324703 188658625 /nfs/dbraw/zinc/65/86/25/188658625.db2.gz PPIUTSPIBBWDGC-UHFFFAOYSA-N 1 0 277.795 3.774 10 0 CHAERO [NH3+]CCC[C@H](Nc1ncc(Cl)cc1F)c1ccccc1 ZINC000336832467 334984730 /nfs/dbraw/zinc/98/47/30/334984730.db2.gz FJOHHAQVGKFAAM-AWEZNQCLSA-N 1 0 293.773 3.766 10 0 CHAERO [NH3+]CCC[C@@H](Nc1ncc(Cl)cc1F)c1ccccc1 ZINC000336832468 334984741 /nfs/dbraw/zinc/98/47/41/334984741.db2.gz FJOHHAQVGKFAAM-CQSZACIVSA-N 1 0 293.773 3.766 10 0 CHAERO Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCC[NH3+] ZINC000261508418 190040309 /nfs/dbraw/zinc/04/03/09/190040309.db2.gz SFGCDHKTLAXERC-UHFFFAOYSA-N 1 0 257.164 3.674 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000021505062 184536181 /nfs/dbraw/zinc/53/61/81/184536181.db2.gz XWEPTBANBFIQDW-BMFZPTHFSA-N 1 0 289.419 3.966 10 0 CHAERO C[C@@H](Cc1c(F)cccc1F)[NH2+]C(C1CC1)C1CC1 ZINC000037775847 184542301 /nfs/dbraw/zinc/54/23/01/184542301.db2.gz RIFXCIKUTFCWIO-JTQLQIEISA-N 1 0 265.347 3.674 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccccc1C(C)(C)C ZINC000083441544 135021381 /nfs/dbraw/zinc/02/13/81/135021381.db2.gz AZHFZOBIBZORAL-UONOGXRCSA-N 1 0 260.425 3.561 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccccc1C(C)C ZINC000083441605 135021516 /nfs/dbraw/zinc/02/15/16/135021516.db2.gz FVDYSKJWJJYBCS-LSDHHAIUSA-N 1 0 260.425 3.777 10 0 CHAERO CC(C)c1ccccc1N1C[C@@H](C)[NH2+]C[C@H]1C(C)C ZINC000083441782 135021907 /nfs/dbraw/zinc/02/19/07/135021907.db2.gz WJLCMTOPAHYAQD-PBHICJAKSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cccc(C)c1C ZINC000083441695 135022013 /nfs/dbraw/zinc/02/20/13/135022013.db2.gz CQFUCXFWNSMTEN-CVEARBPZSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1CN(c2ccc(Cl)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083493822 135024556 /nfs/dbraw/zinc/02/45/56/135024556.db2.gz FHEGKOBJIHILCV-ZFWWWQNUSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@H]1CN(c2cc(C)ccc2Cl)[C@@H](CC)C[NH2+]1 ZINC000083493766 135024809 /nfs/dbraw/zinc/02/48/09/135024809.db2.gz ROVPUCGVPUBEGA-STQMWFEESA-N 1 0 266.816 3.615 10 0 CHAERO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171526545 335069052 /nfs/dbraw/zinc/06/90/52/335069052.db2.gz WSGXRPJCVHNCDK-SWLSCSKDSA-N 1 0 298.352 3.546 10 0 CHAERO Brc1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000003735036 169910177 /nfs/dbraw/zinc/91/01/77/169910177.db2.gz QRRVYALKJRJDET-GFCCVEGCSA-N 1 0 254.171 3.654 10 0 CHAERO CC[NH+](CC)CCCn1c(C)nc2cc(Cl)ccc21 ZINC000005139302 170069837 /nfs/dbraw/zinc/06/98/37/170069837.db2.gz DUBFJCBUAYLDNZ-UHFFFAOYSA-N 1 0 279.815 3.730 10 0 CHAERO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3 ZINC000005833984 170145561 /nfs/dbraw/zinc/14/55/61/170145561.db2.gz WZJSIHGOLMMBAL-MRXNPFEDSA-N 1 0 279.383 3.925 10 0 in-vivo CHAERO O=C(CC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000006092686 170175752 /nfs/dbraw/zinc/17/57/52/170175752.db2.gz DSZCXXAJMFOORJ-UHFFFAOYSA-N 1 0 296.208 3.508 10 0 CHAERO Cc1ccc([C@H](C[NH3+])Cc2cccc(Cl)c2)cc1 ZINC000011588255 170423299 /nfs/dbraw/zinc/42/32/99/170423299.db2.gz RABSLLRDGJAQJA-HNNXBMFYSA-N 1 0 259.780 3.933 10 0 CHAERO CCOc1ccc([C@H]([NH3+])Cc2ccccc2C)cc1 ZINC000011602211 170425887 /nfs/dbraw/zinc/42/58/87/170425887.db2.gz WXZIDGBTWVBSOI-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000012669106 170503240 /nfs/dbraw/zinc/50/32/40/170503240.db2.gz BNRIIWFKZOPEPA-ZIAGYGMSSA-N 1 0 284.403 3.801 10 0 CHAERO CCc1ccc(Sc2ccccc2C[NH2+]C)c(N)c1 ZINC000013646017 170572729 /nfs/dbraw/zinc/57/27/29/170572729.db2.gz XIVFNOGFYONSDE-UHFFFAOYSA-N 1 0 272.417 3.702 10 0 CHAERO CC(C)c1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019433586 170798512 /nfs/dbraw/zinc/79/85/12/170798512.db2.gz VJBBNUZJBFEJBD-KMFMINBZSA-N 1 0 286.419 3.669 10 0 CHAERO C[C@H]([NH3+])c1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000019472161 170805134 /nfs/dbraw/zinc/80/51/34/170805134.db2.gz FCARZTBHVNLYIT-NSHDSACASA-N 1 0 280.327 3.705 10 0 CHAERO Cc1ccc(Oc2cc(C(N)=[NH2+])ccn2)c(C(C)(C)C)c1 ZINC000019808604 170877450 /nfs/dbraw/zinc/87/74/50/170877450.db2.gz JZLFAOKCFHSTLM-UHFFFAOYSA-N 1 0 283.375 3.764 10 0 CHAERO Cc1ccc(SCc2ccccc2C(N)=[NH2+])c(C)c1 ZINC000019848145 170897780 /nfs/dbraw/zinc/89/77/80/170897780.db2.gz BKKFTSUXKGVEKZ-UHFFFAOYSA-N 1 0 270.401 3.880 10 0 CHAERO Cc1csc(Sc2ccc([C@@H](C)[NH3+])cc2F)n1 ZINC000019874098 170903667 /nfs/dbraw/zinc/90/36/67/170903667.db2.gz KJTVBQWSMVYOPZ-MRVPVSSYSA-N 1 0 268.382 3.762 10 0 CHAERO C[C@H]([NH2+][C@@H]1COc2cc(O)ccc21)c1ccc(Cl)cc1 ZINC000020121992 171001921 /nfs/dbraw/zinc/00/19/21/171001921.db2.gz BTVGMKIROVEFHX-ZUZCIYMTSA-N 1 0 289.762 3.830 10 0 CHAERO C[C@@H]([NH2+][C@@H]1COc2cc(O)ccc21)c1cccc(Cl)c1 ZINC000020124286 171006467 /nfs/dbraw/zinc/00/64/67/171006467.db2.gz KOHAPTCPSGHGME-MEBBXXQBSA-N 1 0 289.762 3.830 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cc1 ZINC000020129316 171016833 /nfs/dbraw/zinc/01/68/33/171016833.db2.gz ZMXCYJBMIORERI-APWZRJJASA-N 1 0 282.431 3.949 10 0 CHAERO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000020130032 171018763 /nfs/dbraw/zinc/01/87/63/171018763.db2.gz RHPJUSONSUDWHK-IAGOWNOFSA-N 1 0 265.356 3.787 10 0 CHAERO Clc1ccc(C[NH2+]CCCOCc2ccco2)s1 ZINC000020147121 171033606 /nfs/dbraw/zinc/03/36/06/171033606.db2.gz GBEIVJIIULWSCR-UHFFFAOYSA-N 1 0 285.796 3.691 10 0 CHAERO CCOc1cc(C[NH2+][C@@H](C)c2cccc(F)c2)ccc1O ZINC000020147774 171035041 /nfs/dbraw/zinc/03/50/41/171035041.db2.gz MOZBWGGHVYSRAA-LBPRGKRZSA-N 1 0 289.350 3.781 10 0 CHAERO C=COCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000020197634 171061919 /nfs/dbraw/zinc/06/19/19/171061919.db2.gz NRDPQFGGTNCCTF-UHFFFAOYSA-N 1 0 260.164 3.633 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020209653 171073291 /nfs/dbraw/zinc/07/32/91/171073291.db2.gz MXNOHPSJBUMTLU-NSHDSACASA-N 1 0 261.752 3.896 10 0 CHAERO CN(Cc1ccc(Cl)cc1)[C@@H](C[NH3+])c1ccccc1F ZINC000020225610 171087986 /nfs/dbraw/zinc/08/79/86/171087986.db2.gz AFRXNIJLMGSRPV-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CCc1ccc([C@@H](C[NH3+])N(C)Cc2ccccc2F)cc1 ZINC000020225706 171088096 /nfs/dbraw/zinc/08/80/96/171088096.db2.gz ZZNXFTKBHOJIPB-GOSISDBHSA-N 1 0 286.394 3.520 10 0 CHAERO CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225665 171088983 /nfs/dbraw/zinc/08/89/83/171088983.db2.gz RHGKIRVYSRSPHJ-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO CN(CCc1ccccc1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226037 171089781 /nfs/dbraw/zinc/08/97/81/171089781.db2.gz BCTNKSJXLKTZKX-QGZVFWFLSA-N 1 0 288.822 3.514 10 0 CHAERO CCc1ccc([C@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020225735 171089813 /nfs/dbraw/zinc/08/98/13/171089813.db2.gz FBERVOWJPTTWFH-SFHVURJKSA-N 1 0 274.452 3.761 10 0 CHAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020226703 171090876 /nfs/dbraw/zinc/09/08/76/171090876.db2.gz JCCHYDVBZMAXSG-CYBMUJFWSA-N 1 0 289.250 3.971 10 0 CHAERO CC(C)CN(C)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020226730 171090894 /nfs/dbraw/zinc/09/08/94/171090894.db2.gz BLXFHQCIJOFGBZ-LBPRGKRZSA-N 1 0 275.223 3.581 10 0 CHAERO CC(C)CN(C)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020226714 171092094 /nfs/dbraw/zinc/09/20/94/171092094.db2.gz KEKHOKKQSOSCPB-LBPRGKRZSA-N 1 0 275.223 3.581 10 0 CHAERO C[C@@H]([NH3+])c1ccccc1OCc1cccc2cccnc21 ZINC000020246135 171099565 /nfs/dbraw/zinc/09/95/65/171099565.db2.gz YDXMFGSVYVXDSS-CYBMUJFWSA-N 1 0 278.355 3.834 10 0 CHAERO [NH3+]CCCCCCC(=O)Nc1cccc(Cl)c1Cl ZINC000020246478 171100148 /nfs/dbraw/zinc/10/01/48/171100148.db2.gz LAZSDUPFEDIXCL-UHFFFAOYSA-N 1 0 289.206 3.841 10 0 CHAERO C[C@H]([NH3+])c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020267874 171124403 /nfs/dbraw/zinc/12/44/03/171124403.db2.gz LILMDPNASMIPBN-QMMMGPOBSA-N 1 0 255.239 3.985 10 0 CHAERO Cc1nc(CSc2ccc(C)cc2)sc1CC[NH3+] ZINC000020273837 171131068 /nfs/dbraw/zinc/13/10/68/171131068.db2.gz QFOXOJBIZHNDAS-UHFFFAOYSA-N 1 0 278.446 3.553 10 0 CHAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(F)cc1Br ZINC000020364010 171162711 /nfs/dbraw/zinc/16/27/11/171162711.db2.gz PORVGDGEPPJFLQ-SECBINFHSA-N 1 0 274.177 3.722 10 0 CHAERO Cc1ccccc1[C@H]([NH3+])c1ccccc1Br ZINC000020391320 171180115 /nfs/dbraw/zinc/18/01/15/171180115.db2.gz NNJULVYQXAOSJS-AWEZNQCLSA-N 1 0 276.177 3.806 10 0 CHAERO CCOc1ccccc1OCCC1([NH3+])CCCCC1 ZINC000020399002 171181632 /nfs/dbraw/zinc/18/16/32/171181632.db2.gz RLYBRRCRNMJLPS-UHFFFAOYSA-N 1 0 263.381 3.516 10 0 CHAERO [NH3+][C@H](Cc1nc2ccccc2s1)C1CCCCC1 ZINC000020428545 171194249 /nfs/dbraw/zinc/19/42/49/171194249.db2.gz XUIDKKXDEJLSQD-GFCCVEGCSA-N 1 0 260.406 3.746 10 0 CHAERO Cc1ccc([C@H]([NH3+])c2ccc(OC(C)C)cc2)cc1 ZINC000020434863 171200706 /nfs/dbraw/zinc/20/07/06/171200706.db2.gz GCFZMXYUSAHGHQ-KRWDZBQOSA-N 1 0 255.361 3.830 10 0 CHAERO COc1ccc(Oc2cccc(Cl)c2C[NH3+])cc1 ZINC000020470314 171212315 /nfs/dbraw/zinc/21/23/15/171212315.db2.gz JDYAFNPCSSQZIJ-UHFFFAOYSA-N 1 0 263.724 3.600 10 0 CHAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccccc1Cl ZINC000020470570 171212520 /nfs/dbraw/zinc/21/25/20/171212520.db2.gz GIDJRXJTNOQNCB-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO Cc1ccc(C)c([C@H]([NH3+])c2cncc(Br)c2)c1 ZINC000020480956 171221963 /nfs/dbraw/zinc/22/19/63/171221963.db2.gz SOPKYQYXKLQCKL-CQSZACIVSA-N 1 0 291.192 3.509 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1Cl ZINC000020521892 171234902 /nfs/dbraw/zinc/23/49/02/171234902.db2.gz BTHIQHULVSEJTQ-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO C[NH2+]CCOc1ccc(-c2ccccc2)cc1Cl ZINC000020525117 171238209 /nfs/dbraw/zinc/23/82/09/171238209.db2.gz ZBDZRGJEUAXTLV-UHFFFAOYSA-N 1 0 261.752 3.605 10 0 CHAERO CC[NH2+]CCCOc1ccc(CC)cc1C(C)(C)C ZINC000020525005 171238275 /nfs/dbraw/zinc/23/82/75/171238275.db2.gz HSEMUTGZNJWIFG-UHFFFAOYSA-N 1 0 263.425 3.925 10 0 CHAERO CN(C[C@H]([NH3+])c1cccc2ccccc21)c1ccccc1 ZINC000020547766 171245048 /nfs/dbraw/zinc/24/50/48/171245048.db2.gz DSWSFQDFSDJRNQ-IBGZPJMESA-N 1 0 276.383 3.976 10 0 CHAERO CC(C)[N@H+](C)[C@@H](c1ccccc1)[C@@H](N)Cc1ccccc1 ZINC000020549460 171246216 /nfs/dbraw/zinc/24/62/16/171246216.db2.gz MLGFRAHQHRQJEL-OALUTQOASA-N 1 0 282.431 3.638 10 0 CHAERO CC[NH+](CC)C[C@@H](N)c1ccc(-c2ccccc2)cc1 ZINC000020561397 171251734 /nfs/dbraw/zinc/25/17/34/171251734.db2.gz BPBZKMJUUVEPNM-GOSISDBHSA-N 1 0 268.404 3.695 10 0 CHAERO Cc1ccc(O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000020561523 171251751 /nfs/dbraw/zinc/25/17/51/171251751.db2.gz JGHGIRSXNHGJIU-BPUTZDHNSA-N 1 0 261.409 3.916 10 0 CHAERO CCCC[N@H+](C)C1(CN)CCC(C(C)(C)C)CC1 ZINC000020564513 171253567 /nfs/dbraw/zinc/25/35/67/171253567.db2.gz RRCVHFVTQCCBCR-UHFFFAOYSA-N 1 0 254.462 3.652 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](OCCOc2ccccc2)C1 ZINC000020565728 171254551 /nfs/dbraw/zinc/25/45/51/171254551.db2.gz UXXJUCPPZLMBOK-PVAVHDDUSA-N 1 0 291.435 3.624 10 0 CHAERO COc1ccc([C@H]([NH3+])c2oc3ccccc3c2C)cc1 ZINC000020592911 171262355 /nfs/dbraw/zinc/26/23/55/171262355.db2.gz JFJYVFCUEAPCFQ-INIZCTEOSA-N 1 0 267.328 3.798 10 0 CHAERO Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000020595931 171264711 /nfs/dbraw/zinc/26/47/11/171264711.db2.gz FOYUBSSRYIBSRE-GOSISDBHSA-N 1 0 280.415 3.990 10 0 CHAERO Cc1c(C[NH2+][C@H]2COc3ccccc3C2)[nH]c2ccccc21 ZINC000020781203 171272903 /nfs/dbraw/zinc/27/29/03/171272903.db2.gz XJYGBCKHXHUJTO-OAHLLOKOSA-N 1 0 292.382 3.570 10 0 CHAERO CCCOc1ccc(C[NH2+]C2CCCCC2)cc1OC ZINC000020930915 171281097 /nfs/dbraw/zinc/28/10/97/171281097.db2.gz OALJQCGMTFTIBN-UHFFFAOYSA-N 1 0 277.408 3.906 10 0 CHAERO CC(C)N(CC[NH2+]C1[C@@H](C)CCC[C@@H]1C)C(C)C ZINC000021009495 171286434 /nfs/dbraw/zinc/28/64/34/171286434.db2.gz ARCJVAHCGZSJTA-GJZGRUSLSA-N 1 0 254.462 3.520 10 0 CHAERO Cc1ccc(C)c([C@@H](N)C[NH+]2CCCCCCC2)c1 ZINC000021019871 171290106 /nfs/dbraw/zinc/29/01/06/171290106.db2.gz LAQPOWMWDFOIJP-KRWDZBQOSA-N 1 0 260.425 3.569 10 0 CHAERO Cc1cccc(O[C@H](C)[C@H]([NH3+])c2ccccc2)c1C ZINC000021057042 171296021 /nfs/dbraw/zinc/29/60/21/171296021.db2.gz DCUAHRWOTCUZKU-PBHICJAKSA-N 1 0 255.361 3.771 10 0 CHAERO CCN(C[C@@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000021058016 171296440 /nfs/dbraw/zinc/29/64/40/171296440.db2.gz JRCCRCGTXDGGMO-QGZVFWFLSA-N 1 0 254.377 3.521 10 0 CHAERO CCCOc1ccccc1O[C@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000021501388 171305352 /nfs/dbraw/zinc/30/53/52/171305352.db2.gz XAQZHPOWUAMYME-KEYYUXOJSA-N 1 0 277.408 3.760 10 0 CHAERO CC(C)(C)c1ccc(O[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000021504123 171306921 /nfs/dbraw/zinc/30/69/21/171306921.db2.gz BVTRZYUXHYGDRH-QZTJIDSGSA-N 1 0 281.399 3.988 10 0 CHAERO CCc1cccc(O[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000021505308 171307571 /nfs/dbraw/zinc/30/75/71/171307571.db2.gz CJDNCDVQHIGPQM-DYVFJYSZSA-N 1 0 255.361 3.716 10 0 CHAERO CC[C@H]([NH3+])[C@@H](C)Oc1ccc(Oc2ccccc2)cc1 ZINC000021509414 171309159 /nfs/dbraw/zinc/30/91/59/171309159.db2.gz UTVIWJSIGNUFIN-DYVFJYSZSA-N 1 0 271.360 3.984 10 0 CHAERO C[N@H+](C[C@H](N)C12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000021510080 171309573 /nfs/dbraw/zinc/30/95/73/171309573.db2.gz YJZLRECMIRWTRB-ZJIILYSQSA-N 1 0 290.495 3.795 10 0 CHAERO CC(C)Cc1ccc([C@@H](N)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000021515312 171311830 /nfs/dbraw/zinc/31/18/30/171311830.db2.gz ANKJWRHUQNZPPT-YJBOKZPZSA-N 1 0 274.452 3.759 10 0 CHAERO CCN(c1ccccc1C)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000021515090 171312137 /nfs/dbraw/zinc/31/21/37/171312137.db2.gz GUOBQZYNJUQNFS-RDJZCZTQSA-N 1 0 260.425 3.871 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC(C)(C)C1 ZINC000021518592 171314400 /nfs/dbraw/zinc/31/44/00/171314400.db2.gz RNXUGOWDZSAXNK-UKRRQHHQSA-N 1 0 289.419 3.762 10 0 CHAERO CCCCC[NH2+]Cc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000021813351 171330407 /nfs/dbraw/zinc/33/04/07/171330407.db2.gz AVFTXSOWWCLYDJ-CYBMUJFWSA-N 1 0 277.408 3.689 10 0 CHAERO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC000021817802 171333178 /nfs/dbraw/zinc/33/31/78/171333178.db2.gz ASCPOCGCMSZARP-WFASDCNBSA-N 1 0 268.832 3.577 10 0 CHAERO CCC[C@@H](C)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000021819274 171334102 /nfs/dbraw/zinc/33/41/02/171334102.db2.gz XHLUHIQFDVIIAE-LLVKDONJSA-N 1 0 257.324 3.814 10 0 CHAERO CC(C)(C)OC(=O)n1cc([C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000022015016 171349226 /nfs/dbraw/zinc/34/92/26/171349226.db2.gz CNEARFWZIAPQEU-GFCCVEGCSA-N 1 0 286.375 3.501 10 0 CHAERO Cc1ccc([C@H]([NH2+]CCN(C)C)c2ccccc2)c(C)c1 ZINC000022142067 171355525 /nfs/dbraw/zinc/35/55/25/171355525.db2.gz GKWWUBMZOYDGGL-LJQANCHMSA-N 1 0 282.431 3.544 10 0 CHAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(C)cc1C ZINC000022149712 171358030 /nfs/dbraw/zinc/35/80/30/171358030.db2.gz HZUUWORNMMCPNO-SFHVURJKSA-N 1 0 268.404 3.830 10 0 CHAERO COc1ccc(Oc2ncccc2C[NH3+])c(C(C)(C)C)c1 ZINC000022174748 171369934 /nfs/dbraw/zinc/36/99/34/171369934.db2.gz IRNWUSZBYYFNCT-UHFFFAOYSA-N 1 0 286.375 3.639 10 0 CHAERO [NH3+]Cc1ccccc1COc1ccccc1C(F)(F)F ZINC000022211355 171373671 /nfs/dbraw/zinc/37/36/71/171373671.db2.gz CDQJIVAHGNTLEA-UHFFFAOYSA-N 1 0 281.277 3.743 10 0 CHAERO C[C@H]([NH3+])CCc1ccc(OCc2cccc(F)c2)cc1 ZINC000022215264 171375390 /nfs/dbraw/zinc/37/53/90/171375390.db2.gz UKXWSUPQTAQANZ-ZDUSSCGKSA-N 1 0 273.351 3.685 10 0 CHAERO CN1CC[NH+]([C@@H]2C[C@H](c3ccccc3)c3ccccc32)CC1 ZINC000022778637 171399048 /nfs/dbraw/zinc/39/90/48/171399048.db2.gz PBNIVFQAAKTXAH-WOJBJXKFSA-N 1 0 292.426 3.511 10 0 CHAERO [NH3+][C@H](COCc1ccc(Cl)cc1)c1ccccc1 ZINC000028521766 171561198 /nfs/dbraw/zinc/56/11/98/171561198.db2.gz VSSDGUVNWAKZNM-OAHLLOKOSA-N 1 0 261.752 3.557 10 0 CHAERO [NH3+]CCC[C@H](Oc1ccccc1)c1ccc(F)cc1 ZINC000032111081 171703539 /nfs/dbraw/zinc/70/35/39/171703539.db2.gz YBYYAZLCBZOTAI-INIZCTEOSA-N 1 0 259.324 3.685 10 0 CHAERO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1OC ZINC000034991744 171917822 /nfs/dbraw/zinc/91/78/22/171917822.db2.gz NTJDBSQGCKANOE-UKRRQHHQSA-N 1 0 277.408 3.762 10 0 CHAERO c1cc(C[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)cc2c1OCO2 ZINC000034994365 171922121 /nfs/dbraw/zinc/92/21/21/171922121.db2.gz MIPPRDLRFKZAFM-OAGGEKHMSA-N 1 0 287.403 3.864 10 0 CHAERO CC(C)COCCC[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035017509 171934617 /nfs/dbraw/zinc/93/46/17/171934617.db2.gz LCOIVUFPGZZVQV-BBWFWOEESA-N 1 0 267.457 3.998 10 0 CHAERO CCC[C@@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159869 172017803 /nfs/dbraw/zinc/01/78/03/172017803.db2.gz FQLXYENPSTUGGJ-SECBINFHSA-N 1 0 289.206 3.710 10 0 CHAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000035258184 172089509 /nfs/dbraw/zinc/08/95/09/172089509.db2.gz IVXJEQVAUZSZKN-WDEREUQCSA-N 1 0 263.328 3.959 10 0 CHAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000035258120 172089721 /nfs/dbraw/zinc/08/97/21/172089721.db2.gz PEKMDTGHNUNXPU-NWDGAFQWSA-N 1 0 261.287 3.799 10 0 CHAERO CC(C)CC[NH2+][C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000035273313 172093771 /nfs/dbraw/zinc/09/37/71/172093771.db2.gz PHGUGSURDUJMJP-VXGBXAGGSA-N 1 0 267.335 3.512 10 0 CHAERO [NH3+][C@H](c1ccc(Br)s1)c1ccccc1 ZINC000035379513 172162024 /nfs/dbraw/zinc/16/20/24/172162024.db2.gz RKXZKGDIGFWZQI-NSHDSACASA-N 1 0 268.179 3.559 10 0 CHAERO Cc1ccsc1[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000035381135 172163760 /nfs/dbraw/zinc/16/37/60/172163760.db2.gz HUGRFNLMGHLAAL-LLVKDONJSA-N 1 0 257.280 3.522 10 0 CHAERO C[NH2+][C@H](c1cc(Br)ccc1OC)C(C)(C)C ZINC000035456156 172206576 /nfs/dbraw/zinc/20/65/76/172206576.db2.gz GULPTUSKGXFWJX-GFCCVEGCSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)c(C)c1)c1cc(F)cc(F)c1 ZINC000035457406 172207235 /nfs/dbraw/zinc/20/72/35/172207235.db2.gz POENENMFUHXCFI-INIZCTEOSA-N 1 0 261.315 3.890 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2sccc2C)s1 ZINC000035460528 172209361 /nfs/dbraw/zinc/20/93/61/172209361.db2.gz DBSUHAAKWFCMIE-GFCCVEGCSA-N 1 0 251.420 3.989 10 0 CHAERO C[NH2+][C@H](c1occc1C)c1ccc2c(c1)CCCC2 ZINC000035459988 172209552 /nfs/dbraw/zinc/20/95/52/172209552.db2.gz IEXVFNZLYGBECT-INIZCTEOSA-N 1 0 255.361 3.776 10 0 CHAERO C[NH2+][C@H](c1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000035463698 172211580 /nfs/dbraw/zinc/21/15/80/172211580.db2.gz WAJWPVQELNCIBC-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000035465020 172212564 /nfs/dbraw/zinc/21/25/64/172212564.db2.gz JJVUYKSEKDMPJP-CQSZACIVSA-N 1 0 276.177 3.758 10 0 CHAERO C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000035464774 172212638 /nfs/dbraw/zinc/21/26/38/172212638.db2.gz VFMSMJGHOLFQEG-MRXNPFEDSA-N 1 0 275.779 3.852 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000035464404 172212672 /nfs/dbraw/zinc/21/26/72/172212672.db2.gz LXVUPNCYBNHCSR-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000035492043 172226376 /nfs/dbraw/zinc/22/63/76/172226376.db2.gz RJRPTHVNDNBSBV-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000035498639 172232529 /nfs/dbraw/zinc/23/25/29/172232529.db2.gz FXGIRSYIDXQMCX-QGZVFWFLSA-N 1 0 255.361 3.783 10 0 CHAERO C[NH2+][C@@H](CC(C)C)c1cc(OC)c(OC)cc1Cl ZINC000035501264 172235660 /nfs/dbraw/zinc/23/56/60/172235660.db2.gz RJQTZGVOLIQTFZ-LBPRGKRZSA-N 1 0 271.788 3.664 10 0 CHAERO CCCC[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501331 172235801 /nfs/dbraw/zinc/23/58/01/172235801.db2.gz UQBIXNUZCMVBFS-GFCCVEGCSA-N 1 0 269.772 3.562 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(Br)c1)[C@H]1C[C@@H]1C ZINC000035508668 172240538 /nfs/dbraw/zinc/24/05/38/172240538.db2.gz UIFUGNHPXBIWHD-NURSFMCSSA-N 1 0 298.224 3.764 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(Br)c1)[C@@H]1C[C@@H]1C ZINC000035508662 172241071 /nfs/dbraw/zinc/24/10/71/172241071.db2.gz UIFUGNHPXBIWHD-DRCTWCGVSA-N 1 0 298.224 3.764 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1F ZINC000035540854 172248067 /nfs/dbraw/zinc/24/80/67/172248067.db2.gz LNIYBCPREKNBQD-INIZCTEOSA-N 1 0 259.324 3.533 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(OCC)cc1 ZINC000035541362 172248866 /nfs/dbraw/zinc/24/88/66/172248866.db2.gz WWQHCXVHWRFBHT-GFCCVEGCSA-N 1 0 261.287 3.688 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1cc(F)ccc1F ZINC000035543384 172250886 /nfs/dbraw/zinc/25/08/86/172250886.db2.gz ZLADRMFIRMDWQF-CYBMUJFWSA-N 1 0 253.317 3.725 10 0 CHAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc(OC)cc1OC ZINC000035546048 172254393 /nfs/dbraw/zinc/25/43/93/172254393.db2.gz NECRPDZYWOCAQM-LRDDRELGSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000035549130 172256339 /nfs/dbraw/zinc/25/63/39/172256339.db2.gz ZEOBDAPZCKGMOM-JTQLQIEISA-N 1 0 253.214 3.568 10 0 CHAERO CC[NH2+][C@@H](c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000035549030 172256826 /nfs/dbraw/zinc/25/68/26/172256826.db2.gz WLZBEUSDXCZLLS-HNNXBMFYSA-N 1 0 265.278 3.803 10 0 CHAERO CC[NH2+][C@H](C)c1cc(OCC)c(OCC)cc1Cl ZINC000035557250 172262300 /nfs/dbraw/zinc/26/23/00/172262300.db2.gz XQLOWJDOQDSRPO-SNVBAGLBSA-N 1 0 271.788 3.808 10 0 CHAERO CCC[C@@H]([NH2+]CC)c1cc(OC)c(OC)cc1Cl ZINC000035557534 172262586 /nfs/dbraw/zinc/26/25/86/172262586.db2.gz PQWBUHUARNJNMX-GFCCVEGCSA-N 1 0 271.788 3.808 10 0 CHAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035570513 172266457 /nfs/dbraw/zinc/26/64/57/172266457.db2.gz GTRLYOUPMBQZDD-LLVKDONJSA-N 1 0 284.190 3.610 10 0 CHAERO CCC[NH2+][C@@H](c1ccncc1)c1cc(C)ccc1C ZINC000035581601 172277989 /nfs/dbraw/zinc/27/79/89/172277989.db2.gz TXVPTAYUNHFVSX-KRWDZBQOSA-N 1 0 254.377 3.787 10 0 CHAERO CCC[NH2+][C@@H](C)c1cc(Br)ccc1OCC ZINC000035586847 172286592 /nfs/dbraw/zinc/28/65/92/172286592.db2.gz ARLXBLDYVMQXSQ-JTQLQIEISA-N 1 0 286.213 3.908 10 0 CHAERO CC[NH+](CC)CCOc1c2ccccc2ccc1[C@H](C)O ZINC000035627998 172307067 /nfs/dbraw/zinc/30/70/67/172307067.db2.gz RADYLUUJDNUPCP-AWEZNQCLSA-N 1 0 287.403 3.614 10 0 CHAERO Cc1ccc(OCc2cccc(F)c2)c([C@H](C)[NH3+])c1 ZINC000035629255 172308852 /nfs/dbraw/zinc/30/88/52/172308852.db2.gz JGBMOHHGHRHUCU-LBPRGKRZSA-N 1 0 259.324 3.733 10 0 CHAERO CCC[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000035654191 172330343 /nfs/dbraw/zinc/33/03/43/172330343.db2.gz FHYKLOOAVBLJCA-LLVKDONJSA-N 1 0 260.164 3.817 10 0 CHAERO CCc1cc2c(c(C(C)(C)C)c1)OC[C@H]2[NH2+]C1CC1 ZINC000035654405 172331223 /nfs/dbraw/zinc/33/12/23/172331223.db2.gz DGGBQQOELRYLBA-OAHLLOKOSA-N 1 0 259.393 3.732 10 0 CHAERO CCCOc1cccc2c1OCCC[C@H]2[NH2+]C(C)C ZINC000035655207 172331350 /nfs/dbraw/zinc/33/13/50/172331350.db2.gz BPEZLOFTCSRLLS-CQSZACIVSA-N 1 0 263.381 3.687 10 0 CHAERO CC(C)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000035654490 172331907 /nfs/dbraw/zinc/33/19/07/172331907.db2.gz PBAUVFPABMAQAC-GFCCVEGCSA-N 1 0 284.197 3.661 10 0 CHAERO CN(Cc1cccs1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000035717102 172371461 /nfs/dbraw/zinc/37/14/61/172371461.db2.gz HFQPBNSYMITKAE-SNVBAGLBSA-N 1 0 286.853 3.595 10 0 CHAERO CC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccccc1C ZINC000035718240 172372078 /nfs/dbraw/zinc/37/20/78/172372078.db2.gz UDVMNNFUZREAJM-QGZVFWFLSA-N 1 0 263.425 3.614 10 0 CHAERO C[C@H]([NH3+])c1cc(F)ccc1N(C)Cc1ccsc1 ZINC000035719365 172373703 /nfs/dbraw/zinc/37/37/03/172373703.db2.gz KYDCRGYTFHLROV-JTQLQIEISA-N 1 0 264.369 3.543 10 0 CHAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccc(F)cc2F)C1 ZINC000035722029 172377368 /nfs/dbraw/zinc/37/73/68/172377368.db2.gz DOZAITXWSCHTCA-GPCCPHFNSA-N 1 0 271.376 3.820 10 0 CHAERO [NH3+]Cc1ccc(CSCc2ccccc2)c(F)c1 ZINC000035722796 172378002 /nfs/dbraw/zinc/37/80/02/172378002.db2.gz KPIMILQDVIBEKW-UHFFFAOYSA-N 1 0 261.365 3.718 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1ccccc1F ZINC000035723158 172378910 /nfs/dbraw/zinc/37/89/10/172378910.db2.gz OXABUTWXBQAPSI-YPMHNXCESA-N 1 0 253.386 3.825 10 0 CHAERO [NH3+]Cc1ccc(CSc2ccc3c(c2)CCC3)cc1 ZINC000035724834 172380085 /nfs/dbraw/zinc/38/00/85/172380085.db2.gz MZDUVZUFUWNARA-UHFFFAOYSA-N 1 0 269.413 3.926 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1OC ZINC000035738762 172392473 /nfs/dbraw/zinc/39/24/73/172392473.db2.gz ALHZKRGLIKXKIK-RYUDHWBXSA-N 1 0 275.348 3.709 10 0 CHAERO COC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000035748230 172395878 /nfs/dbraw/zinc/39/58/78/172395878.db2.gz BLDPLKSTXQVLFK-RKDXNWHRSA-N 1 0 290.190 3.596 10 0 CHAERO CCC[C@H](C)N(C)c1cc(Br)ccc1C[NH2+]C ZINC000036791389 172710598 /nfs/dbraw/zinc/71/05/98/172710598.db2.gz MQFIVTMLATVCJS-NSHDSACASA-N 1 0 299.256 3.793 10 0 CHAERO CC[C@@H](C)CN(C)c1ccc(F)cc1[C@@H](C)[NH2+]C ZINC000037173496 173007778 /nfs/dbraw/zinc/00/77/78/173007778.db2.gz PWOFUIIDIWXHTB-VXGBXAGGSA-N 1 0 252.377 3.588 10 0 CHAERO CSc1cccc(N[C@@H](C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000037208864 173030074 /nfs/dbraw/zinc/03/00/74/173030074.db2.gz QGPRYYDMJYIFLO-STQMWFEESA-N 1 0 264.438 3.551 10 0 CHAERO CC(C)c1cccc(N[C@H](C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000037221054 173040692 /nfs/dbraw/zinc/04/06/92/173040692.db2.gz AEKKEOPWAKARAO-GDBMZVCRSA-N 1 0 260.425 3.952 10 0 CHAERO CCc1ccc([C@@H](N)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000037223684 173043591 /nfs/dbraw/zinc/04/35/91/173043591.db2.gz QJUPWPPORIHWHU-PBHICJAKSA-N 1 0 260.425 3.513 10 0 CHAERO COc1ccc(C[NH2+][C@@H](c2cccs2)C(C)C)cn1 ZINC000037235994 173054254 /nfs/dbraw/zinc/05/42/54/173054254.db2.gz WJTIOHQFONMGOK-OAHLLOKOSA-N 1 0 276.405 3.639 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000037239431 173055931 /nfs/dbraw/zinc/05/59/31/173055931.db2.gz XUZBBRVPQFWYNJ-AWEZNQCLSA-N 1 0 268.385 3.800 10 0 CHAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2OC)cc1 ZINC000037279670 173088990 /nfs/dbraw/zinc/08/89/90/173088990.db2.gz PAZXBYBZADFYRQ-XYPHTWIQSA-N 1 0 261.409 3.857 10 0 CHAERO CC[N@@H+](CC(=O)c1c(C)cc(C)cc1C)CC(C)C ZINC000037336404 173137909 /nfs/dbraw/zinc/13/79/09/173137909.db2.gz LVLVJADWYUROGT-UHFFFAOYSA-N 1 0 261.409 3.772 10 0 CHAERO CCc1ccc(C(=O)[C@H](C)[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000037339100 173140444 /nfs/dbraw/zinc/14/04/44/173140444.db2.gz GUVMUASEUJPHPB-KBPBESRZSA-N 1 0 261.409 3.797 10 0 CHAERO CCC(CC)[N@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037339192 173140838 /nfs/dbraw/zinc/14/08/38/173140838.db2.gz TVJYVQKNIVZZCI-UHFFFAOYSA-N 1 0 261.409 3.915 10 0 CHAERO Cc1ccc(C)c(Oc2ccc(C(N)=[NH2+])cc2)c1C ZINC000037382395 173168131 /nfs/dbraw/zinc/16/81/31/173168131.db2.gz PFGDBTGEMUCQPJ-UHFFFAOYSA-N 1 0 254.333 3.688 10 0 CHAERO CC[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1OC ZINC000037409608 173186047 /nfs/dbraw/zinc/18/60/47/173186047.db2.gz QMQIOGMWRIDDMC-KRWDZBQOSA-N 1 0 255.361 3.703 10 0 CHAERO CC[C@H](C)[C@H]([NH3+])c1nc2cc(C)ccc2n1C(C)C ZINC000037438570 173208717 /nfs/dbraw/zinc/20/87/17/173208717.db2.gz WZJJLDDGLAPIGJ-WFASDCNBSA-N 1 0 259.397 3.972 10 0 CHAERO CCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440788 173210443 /nfs/dbraw/zinc/21/04/43/173210443.db2.gz FSWUZQYWMOTKFX-NSHDSACASA-N 1 0 263.772 3.825 10 0 CHAERO CCn1c([C@@H]2CCCC[NH2+]2)nc2cccc(Cl)c21 ZINC000037444019 173211793 /nfs/dbraw/zinc/21/17/93/173211793.db2.gz LRCZHJNJONFPIC-LBPRGKRZSA-N 1 0 263.772 3.524 10 0 CHAERO CC[C@@H]([NH3+])c1nc2cccc(Cl)c2n1C(C)C ZINC000037444253 173211901 /nfs/dbraw/zinc/21/19/01/173211901.db2.gz LCXYMVYOIRXEKC-SNVBAGLBSA-N 1 0 251.761 3.680 10 0 CHAERO CC(C)[C@@H]([NH3+])c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444421 173212158 /nfs/dbraw/zinc/21/21/58/173212158.db2.gz ZCAKNSUGLBKVFG-GFCCVEGCSA-N 1 0 263.772 3.680 10 0 CHAERO CC(C)(C)[C@@H]([NH3+])c1nc2c(cccc2F)n1C1CC1 ZINC000037442983 173212172 /nfs/dbraw/zinc/21/21/72/173212172.db2.gz CNGIIVPGNGEKKY-ZDUSSCGKSA-N 1 0 261.344 3.556 10 0 CHAERO CCC[NH2+][C@]1(C(=O)OCC)CCCC[C@@H]1C(C)(C)C ZINC000037513476 173244602 /nfs/dbraw/zinc/24/46/02/173244602.db2.gz BTNXVFDIPWMKKZ-CZUORRHYSA-N 1 0 269.429 3.524 10 0 CHAERO C[C@]([NH3+])(c1ccc(F)cc1)c1ccccc1Br ZINC000037529763 173252885 /nfs/dbraw/zinc/25/28/85/173252885.db2.gz DRDHDDGUDSWBSA-AWEZNQCLSA-N 1 0 294.167 3.810 10 0 CHAERO C[C@@]([NH3+])(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000037529746 173253055 /nfs/dbraw/zinc/25/30/55/173253055.db2.gz KDYKCFNQFKFBKS-CQSZACIVSA-N 1 0 294.167 3.810 10 0 CHAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000037533847 173254303 /nfs/dbraw/zinc/25/43/03/173254303.db2.gz XHYOYCHUZZXPBE-AWEZNQCLSA-N 1 0 294.167 3.831 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)Cc1cccc(C)c1 ZINC000037535028 173254365 /nfs/dbraw/zinc/25/43/65/173254365.db2.gz OJNUIROPOKXQEP-KRWDZBQOSA-N 1 0 257.352 3.507 10 0 CHAERO [NH3+][C@H](Cc1ccccc1F)c1cccc(Br)c1 ZINC000037533857 173254442 /nfs/dbraw/zinc/25/44/42/173254442.db2.gz BZOAQANAYPDSQO-CQSZACIVSA-N 1 0 294.167 3.831 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1F)c1ccc(C)c(F)c1 ZINC000037535777 173254939 /nfs/dbraw/zinc/25/49/39/173254939.db2.gz PHNXEDURQZQNGC-INIZCTEOSA-N 1 0 261.315 3.776 10 0 CHAERO [NH3+]CCc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000037720375 173638710 /nfs/dbraw/zinc/63/87/10/173638710.db2.gz WKJGFGZWZMUANL-UHFFFAOYSA-N 1 0 279.742 3.559 10 0 CHAERO CCCCCCOc1cc(C[C@H](C)[NH3+])ccc1OC ZINC000037728029 173647185 /nfs/dbraw/zinc/64/71/85/173647185.db2.gz KMZYZPFLVIZOJK-ZDUSSCGKSA-N 1 0 265.397 3.544 10 0 CHAERO CCC[NH2+][C@@H](C)CCc1ccc(OCC(F)F)cc1 ZINC000037755537 173678810 /nfs/dbraw/zinc/67/88/10/173678810.db2.gz QVGZHANDUZDKHS-LBPRGKRZSA-N 1 0 271.351 3.651 10 0 CHAERO CCC[NH2+][C@H](c1c(F)cc(OC)cc1F)C1CCC1 ZINC000037903765 173835336 /nfs/dbraw/zinc/83/53/36/173835336.db2.gz FNSUDGRGMIMDIP-HNNXBMFYSA-N 1 0 269.335 3.814 10 0 CHAERO CC[NH2+][C@@H](CCc1cc(Cl)ccc1OC)C(C)C ZINC000037949073 173889269 /nfs/dbraw/zinc/88/92/69/173889269.db2.gz XWGSTVQAXIEQGD-AWEZNQCLSA-N 1 0 269.816 3.915 10 0 CHAERO CCC[NH2+][C@H](C)CCc1cccc(Br)c1 ZINC000038001140 173963862 /nfs/dbraw/zinc/96/38/62/173963862.db2.gz XWANIBIATCUYHV-LLVKDONJSA-N 1 0 270.214 3.770 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)cc1C ZINC000038028650 174017394 /nfs/dbraw/zinc/01/73/94/174017394.db2.gz SHEVGKYZHYTENF-DLBZAZTESA-N 1 0 274.452 3.828 10 0 CHAERO C[C@H](C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCCC1 ZINC000038029043 174018497 /nfs/dbraw/zinc/01/84/97/174018497.db2.gz VRUMKBHJDXHODN-XDNAFOTISA-N 1 0 278.484 3.809 10 0 CHAERO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCCC1 ZINC000038029041 174018573 /nfs/dbraw/zinc/01/85/73/174018573.db2.gz VRUMKBHJDXHODN-XMTFNYHQSA-N 1 0 278.484 3.809 10 0 CHAERO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032520 174029005 /nfs/dbraw/zinc/02/90/05/174029005.db2.gz BGURWNPMLSAPIN-GOSISDBHSA-N 1 0 284.378 3.917 10 0 CHAERO CC[C@@H](C)C[NH2+]Cc1cc(F)ccc1Br ZINC000038039047 174039743 /nfs/dbraw/zinc/03/97/43/174039743.db2.gz FUUQPLYFEIXLDP-SECBINFHSA-N 1 0 274.177 3.724 10 0 CHAERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000038050616 174062345 /nfs/dbraw/zinc/06/23/45/174062345.db2.gz FLFRSWXQLFLIPI-TZMCWYRMSA-N 1 0 275.783 3.570 10 0 CHAERO CCC[NH2+][C@@H](C)c1ccc(-n2cc(Cl)cn2)cc1 ZINC000038053652 174065181 /nfs/dbraw/zinc/06/51/81/174065181.db2.gz IZBYNMVUQZGTLJ-NSHDSACASA-N 1 0 263.772 3.586 10 0 CHAERO CCC[NH2+][C@H](C)c1ccccc1-n1cc(Cl)cn1 ZINC000038053665 174065253 /nfs/dbraw/zinc/06/52/53/174065253.db2.gz LEVACJDPMWTNIT-LLVKDONJSA-N 1 0 263.772 3.586 10 0 CHAERO CC[C@@H](C)[NH2+][C@]1(C(=O)OC)CCCC[C@@H]1C(C)(C)C ZINC000038066634 174078254 /nfs/dbraw/zinc/07/82/54/174078254.db2.gz ORMOMRQPMDMSRM-XJKCOSOUSA-N 1 0 269.429 3.523 10 0 CHAERO CC[C@H](C)[NH2+][C@@]1(C(=O)OC)CCCC[C@@H]1C(C)(C)C ZINC000038066637 174078567 /nfs/dbraw/zinc/07/85/67/174078567.db2.gz ORMOMRQPMDMSRM-ZENOOKHLSA-N 1 0 269.429 3.523 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070066 174080832 /nfs/dbraw/zinc/08/08/32/174080832.db2.gz ZXNIJDVEBVIAGB-CYBMUJFWSA-N 1 0 254.377 3.700 10 0 CHAERO CC[C@H]([NH3+])c1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000038070088 174080924 /nfs/dbraw/zinc/08/09/24/174080924.db2.gz NTSKBTKHDGPRHN-KRWDZBQOSA-N 1 0 254.377 3.829 10 0 CHAERO C[NH2+]Cc1cc(-c2cc(C)cc(C)c2)ccc1OC ZINC000038069808 174081099 /nfs/dbraw/zinc/08/10/99/174081099.db2.gz ZLJNINFTVYQBMP-UHFFFAOYSA-N 1 0 255.361 3.698 10 0 CHAERO Fc1cc(F)cc(-c2ccccc2C[NH2+]C2CC2)c1 ZINC000038070254 174081604 /nfs/dbraw/zinc/08/16/04/174081604.db2.gz VHZRKUUBKYECCD-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO COc1ccc(Cl)cc1-c1ccc(C[NH3+])c(F)c1 ZINC000038071017 174082284 /nfs/dbraw/zinc/08/22/84/174082284.db2.gz ISSAEINTWIURSN-UHFFFAOYSA-N 1 0 265.715 3.613 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2ccc(OC)cc2F)c1 ZINC000038073791 174084077 /nfs/dbraw/zinc/08/40/77/174084077.db2.gz CIBIENLOKKOJDP-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO C[NH2+]Cc1ccc(OCc2cc(C)cc(C)c2)cc1 ZINC000038076677 174087628 /nfs/dbraw/zinc/08/76/28/174087628.db2.gz FMLFWMGFHCIJDK-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO [NH3+][C@@]1(c2ccccc2Cl)CCCc2ccccc21 ZINC000038078312 174088670 /nfs/dbraw/zinc/08/86/70/174088670.db2.gz VBVNTBOBKABPMB-INIZCTEOSA-N 1 0 257.764 3.879 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1sccc1C ZINC000038133336 174132633 /nfs/dbraw/zinc/13/26/33/174132633.db2.gz GNWPDTRYYKSZJC-AWEZNQCLSA-N 1 0 261.390 3.568 10 0 CHAERO CC(C)c1ccc([C@H](CN)[NH+]2CCCCCC2)cc1 ZINC000039142616 174164205 /nfs/dbraw/zinc/16/42/05/174164205.db2.gz YVEJUYCIIDSIIN-KRWDZBQOSA-N 1 0 260.425 3.686 10 0 CHAERO C[C@@H]1CCC[C@H](C)N1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000039789089 174173027 /nfs/dbraw/zinc/17/30/27/174173027.db2.gz CYEXQBGPLAYRKC-ZOWXZIJZSA-N 1 0 266.816 3.603 10 0 CHAERO CN(C)CC[NH2+]C1CCCCCCCCCCC1 ZINC000040162523 174197146 /nfs/dbraw/zinc/19/71/46/174197146.db2.gz HDCCHKAVLQDYCL-UHFFFAOYSA-N 1 0 254.462 3.811 10 0 CHAERO CCc1ccc(-c2ncc(C[NH2+]C(C)C)s2)cc1 ZINC000040996749 174446638 /nfs/dbraw/zinc/44/66/38/174446638.db2.gz MYWBTEVZWQBFRP-UHFFFAOYSA-N 1 0 260.406 3.871 10 0 CHAERO Cc1ccc([C@@H]([NH3+])c2nc3c(s2)CCCC3)cc1C ZINC000041184107 174506991 /nfs/dbraw/zinc/50/69/91/174506991.db2.gz JMWNEVOZGCQHFK-OAHLLOKOSA-N 1 0 272.417 3.687 10 0 CHAERO Cc1ccc(Cl)cc1NCC[NH+]1CCCCC1 ZINC000041322920 174519662 /nfs/dbraw/zinc/51/96/62/174519662.db2.gz KTVPHTFVLLZLGH-UHFFFAOYSA-N 1 0 252.789 3.546 10 0 CHAERO CCN(c1cccc(C)c1)[C@H](C[NH3+])c1cccs1 ZINC000042268032 174669879 /nfs/dbraw/zinc/66/98/79/174669879.db2.gz VTZQRCFWISNDLV-CQSZACIVSA-N 1 0 260.406 3.583 10 0 CHAERO CCN(c1cccc(C)c1)[C@H](C[NH3+])c1ccc(C)s1 ZINC000042268020 174669958 /nfs/dbraw/zinc/66/99/58/174669958.db2.gz CCSNGFMPHIOXHA-OAHLLOKOSA-N 1 0 274.433 3.891 10 0 CHAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccc(Cl)cc2)s1 ZINC000042307597 174680598 /nfs/dbraw/zinc/68/05/98/174680598.db2.gz JGFAWROZSSJKBL-CQSZACIVSA-N 1 0 294.851 3.842 10 0 CHAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1)c1ccc(Cl)cc1 ZINC000042948275 174922838 /nfs/dbraw/zinc/92/28/38/174922838.db2.gz HNWNGZBUJGYBLX-XHDPSFHLSA-N 1 0 261.752 3.807 10 0 CHAERO CCCCS[C@H](c1ccc(OC)cc1)[C@H](C)[NH3+] ZINC000042965022 174928829 /nfs/dbraw/zinc/92/88/29/174928829.db2.gz CKJCHVZAJOGABG-FZMZJTMJSA-N 1 0 253.411 3.617 10 0 CHAERO CCc1cccc(O[C@H](C[NH3+])c2cccc(C)c2)c1 ZINC000042968722 174932582 /nfs/dbraw/zinc/93/25/82/174932582.db2.gz VQFNTRFGOKGLRB-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)s1)c1cccc(C)c1 ZINC000042970340 174933489 /nfs/dbraw/zinc/93/34/89/174933489.db2.gz RWLITHJACLNPCL-CHWSQXEVSA-N 1 0 293.461 3.726 10 0 CHAERO CC(C)c1nccn1[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043016748 174943602 /nfs/dbraw/zinc/94/36/02/174943602.db2.gz YWRWNNVAIHNZOR-RISCZKNCSA-N 1 0 277.799 3.597 10 0 CHAERO CC(C)CCO[C@@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043017753 174943659 /nfs/dbraw/zinc/94/36/59/174943659.db2.gz MTDBHZBZEPUKAI-SMDDNHRTSA-N 1 0 255.789 3.791 10 0 CHAERO CC[C@H]([NH3+])[C@H](SCC(C)C)c1cccc(OC)c1 ZINC000043032429 174949218 /nfs/dbraw/zinc/94/92/18/174949218.db2.gz DNHFMXDWOGLLQB-LSDHHAIUSA-N 1 0 267.438 3.863 10 0 CHAERO Cc1ccccc1O[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043038669 174952888 /nfs/dbraw/zinc/95/28/88/174952888.db2.gz GNWCXHJDDJBGGS-WMLDXEAASA-N 1 0 255.361 3.771 10 0 CHAERO CC(C)C[C@H](C)O[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043047733 174957468 /nfs/dbraw/zinc/95/74/68/174957468.db2.gz RIEITLKSLLSQDT-ZOWXZIJZSA-N 1 0 253.361 3.665 10 0 CHAERO [NH3+]C[C@@H](Sc1ccccc1F)c1ccccc1F ZINC000043049168 174957732 /nfs/dbraw/zinc/95/77/32/174957732.db2.gz XZFOPDUEYQNKKQ-CQSZACIVSA-N 1 0 265.328 3.757 10 0 CHAERO Cc1csc(S[C@H](c2ccccc2F)[C@@H](C)[NH3+])n1 ZINC000043049557 174957781 /nfs/dbraw/zinc/95/77/81/174957781.db2.gz MYJKZSLPUCLDEY-SKDRFNHKSA-N 1 0 282.409 3.771 10 0 CHAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N(CC(F)(F)F)C1CC1 ZINC000043106884 174973137 /nfs/dbraw/zinc/97/31/37/174973137.db2.gz GDBOAQFVHWOUOV-JQWIXIFHSA-N 1 0 292.370 3.553 10 0 CHAERO CCc1ccccc1O[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043111324 174974517 /nfs/dbraw/zinc/97/45/17/174974517.db2.gz DKXDTYWXGQOYHG-IAQYHMDHSA-N 1 0 261.390 3.778 10 0 CHAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000043392094 175034441 /nfs/dbraw/zinc/03/44/41/175034441.db2.gz HQFNZJKNPVJFGL-ZDUSSCGKSA-N 1 0 271.669 3.805 10 0 CHAERO [NH3+]Cc1cccc(OCc2sccc2Br)c1 ZINC000043674262 175087791 /nfs/dbraw/zinc/08/77/91/175087791.db2.gz HYSDKMHKYSDLNP-UHFFFAOYSA-N 1 0 298.205 3.548 10 0 CHAERO CC[NH2+][C@@H](C)CN(CC)c1cccc2ccccc21 ZINC000043817191 175112144 /nfs/dbraw/zinc/11/21/44/175112144.db2.gz IKZMQIQOIWXAEN-AWEZNQCLSA-N 1 0 256.393 3.664 10 0 CHAERO CCCOc1ccc([C@@H](O)C[NH+](CCC)CCC)cc1 ZINC000044120185 175142815 /nfs/dbraw/zinc/14/28/15/175142815.db2.gz MOBJQOLHFOIHES-KRWDZBQOSA-N 1 0 279.424 3.631 10 0 CHAERO CC(C)Oc1ccc([C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000044120877 175143015 /nfs/dbraw/zinc/14/30/15/175143015.db2.gz SGALNGRIYJVTCT-GOSISDBHSA-N 1 0 291.435 3.772 10 0 CHAERO CCCC[N@H+](C)C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000044122770 175143087 /nfs/dbraw/zinc/14/30/87/175143087.db2.gz LBZPXBMCGUPTPB-INIZCTEOSA-N 1 0 263.425 3.749 10 0 CHAERO Cc1cc(C)c([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121736 175143343 /nfs/dbraw/zinc/14/33/43/175143343.db2.gz RJXJSHWZLJMHHL-BBWFWOEESA-N 1 0 275.436 3.908 10 0 CHAERO CC(C)[NH2+]Cc1nc(-c2ccc(Cl)cc2)cs1 ZINC000045206548 175328358 /nfs/dbraw/zinc/32/83/58/175328358.db2.gz QVNQRNXTACGQCU-UHFFFAOYSA-N 1 0 266.797 3.962 10 0 CHAERO c1ccc(COc2ccccc2C2CC[NH2+]CC2)cc1 ZINC000045287452 175353866 /nfs/dbraw/zinc/35/38/66/175353866.db2.gz XJJHPGZYVOFINN-UHFFFAOYSA-N 1 0 267.372 3.733 10 0 in-vivo CHAERO CC(C)C[C@@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821349 176007653 /nfs/dbraw/zinc/00/76/53/176007653.db2.gz OVQIFVYRZLQSHW-ZDUSSCGKSA-N 1 0 268.198 3.682 10 0 CHAERO COc1ccc(Br)c2c1CC[NH2+][C@H]2CC(C)C ZINC000071187274 176060528 /nfs/dbraw/zinc/06/05/28/176060528.db2.gz GDZVJWWMZAGSEG-LBPRGKRZSA-N 1 0 298.224 3.691 10 0 CHAERO [NH3+]Cc1cc(F)ccc1COc1ccccc1Cl ZINC000071264305 176097316 /nfs/dbraw/zinc/09/73/16/176097316.db2.gz WCKHZTJPXDIWHR-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO COc1cc(C)c([C@@H](CC[NH3+])C2CC2)cc1C(C)C ZINC000071588043 176215762 /nfs/dbraw/zinc/21/57/62/176215762.db2.gz SQPXNJGDGCNJPT-AWEZNQCLSA-N 1 0 261.409 3.969 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2c1ccccc1C ZINC000071631839 176236620 /nfs/dbraw/zinc/23/66/20/176236620.db2.gz NGQOYFGHZNRZDB-SFHVURJKSA-N 1 0 281.399 3.974 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2c1cccc(C)c1 ZINC000071631841 176236719 /nfs/dbraw/zinc/23/67/19/176236719.db2.gz INOQRFMFRXSJDN-SFHVURJKSA-N 1 0 281.399 3.974 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2c1ccccc1F ZINC000071642240 176238866 /nfs/dbraw/zinc/23/88/66/176238866.db2.gz OLFMUTPGUOEBLT-KRWDZBQOSA-N 1 0 285.362 3.805 10 0 CHAERO [NH3+]C[C@@H](OCc1ccc(Cl)cc1)c1ccccc1 ZINC000072114465 176318406 /nfs/dbraw/zinc/31/84/06/176318406.db2.gz KFVPLCBTGAXYHI-OAHLLOKOSA-N 1 0 261.752 3.557 10 0 in-vitro CHAERO COc1c(C)cc(Cl)cc1[C@@H](C)CC[NH2+]C1CC1 ZINC000076397630 177014939 /nfs/dbraw/zinc/01/49/39/177014939.db2.gz QMFVHRLFOCORCN-JTQLQIEISA-N 1 0 267.800 3.903 10 0 CHAERO [NH3+]CC1(c2cccc(Br)c2)CC2(C1)CCCC2 ZINC000076563462 177038973 /nfs/dbraw/zinc/03/89/73/177038973.db2.gz OHUYNQGOXURMKN-UHFFFAOYSA-N 1 0 294.236 4.000 10 0 CHAERO [NH3+]CC[C@@H](CCc1cccc(F)c1)c1ccccc1 ZINC000076664556 177050582 /nfs/dbraw/zinc/05/05/82/177050582.db2.gz KDNTXZBAGCJKCR-MRXNPFEDSA-N 1 0 257.352 3.891 10 0 CHAERO CCOc1ccc([C@@H](CC[NH3+])c2cccs2)cc1 ZINC000076673098 177054822 /nfs/dbraw/zinc/05/48/22/177054822.db2.gz CPAMVPIBYBNKHD-CQSZACIVSA-N 1 0 261.390 3.628 10 0 CHAERO [NH3+]CC[C@H](CCc1ccccc1F)c1cccs1 ZINC000076678392 177056970 /nfs/dbraw/zinc/05/69/70/177056970.db2.gz STQXGEOOYQJWPE-ZDUSSCGKSA-N 1 0 263.381 3.952 10 0 CHAERO CCOc1ccc([C@@H](CC[NH3+])C2CCCC2)cc1F ZINC000076681701 177059018 /nfs/dbraw/zinc/05/90/18/177059018.db2.gz QXCQQAPQEBZMQO-AWEZNQCLSA-N 1 0 265.372 3.847 10 0 CHAERO CC[NH2+][C@H](C)c1csc(-c2c(F)cccc2F)n1 ZINC000076784497 177091891 /nfs/dbraw/zinc/09/18/91/177091891.db2.gz RRYKNIUDOPOKJY-MRVPVSSYSA-N 1 0 268.332 3.759 10 0 CHAERO CCCOc1ccc([C@@H]([NH3+])c2cc(C)oc2C)cc1 ZINC000077072350 177188379 /nfs/dbraw/zinc/18/83/79/177188379.db2.gz UZAGAGNTDYWUAJ-MRXNPFEDSA-N 1 0 259.349 3.733 10 0 CHAERO COc1ccc([C@@H](C)CC[NH2+]C2CC2)cc1Cl ZINC000077607505 177284347 /nfs/dbraw/zinc/28/43/47/177284347.db2.gz HZMGCAMLXKOTNF-JTQLQIEISA-N 1 0 253.773 3.594 10 0 CHAERO C[NH+](C)Cc1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000036979902 260060430 /nfs/dbraw/zinc/06/04/30/260060430.db2.gz XQNHXWCXSRJJOZ-SFHVURJKSA-N 1 0 266.388 3.848 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H]2C)sc1Br ZINC000307443060 260140014 /nfs/dbraw/zinc/14/00/14/260140014.db2.gz BCKVXXQORPNQIX-XVYDVKMFSA-N 1 0 274.227 3.878 10 0 CHAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000068589541 260142766 /nfs/dbraw/zinc/14/27/66/260142766.db2.gz LKCROBBMJQANQV-IJEWVQPXSA-N 1 0 286.419 3.653 10 0 CHAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1csc(Cl)c1Cl ZINC000309336033 260154087 /nfs/dbraw/zinc/15/40/87/260154087.db2.gz JBVUSGJYBKAXKF-QMMMGPOBSA-N 1 0 282.236 3.552 10 0 CHAERO Cc1cccc(C2CC([NH2+]Cc3ncccc3C)C2)c1 ZINC000071339665 260161750 /nfs/dbraw/zinc/16/17/50/260161750.db2.gz UOTOAIYKYJNTJV-UHFFFAOYSA-N 1 0 266.388 3.734 10 0 CHAERO CC1CCC(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000312686900 260190926 /nfs/dbraw/zinc/19/09/26/260190926.db2.gz DRHJTAIAJYKOKY-YOHUBWIESA-N 1 0 279.468 3.828 10 0 CHAERO COCCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000222983511 260254673 /nfs/dbraw/zinc/25/46/73/260254673.db2.gz CGCXORXIWPDMRZ-ARFHVFGLSA-N 1 0 255.446 3.854 10 0 CHAERO CCC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000040502441 260284883 /nfs/dbraw/zinc/28/48/83/260284883.db2.gz MWAOEJKESMXXMS-SJORKVTESA-N 1 0 260.425 3.602 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000040502403 260285115 /nfs/dbraw/zinc/28/51/15/260285115.db2.gz JKTBDGYELGTBEZ-ZFWWWQNUSA-N 1 0 272.392 3.568 10 0 CHAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000132062673 260466901 /nfs/dbraw/zinc/46/69/01/260466901.db2.gz TVCXBKOFSLRZDA-CABCVRRESA-N 1 0 298.430 3.651 10 0 CHAERO CC[C@@H]([NH3+])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000040856005 260598529 /nfs/dbraw/zinc/59/85/29/260598529.db2.gz ZIUYNYAMOKKQPF-CYBMUJFWSA-N 1 0 286.400 3.514 10 0 CHAERO Cc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1C ZINC000092812622 260888568 /nfs/dbraw/zinc/88/85/68/260888568.db2.gz KXSXLDQJEHOCKI-QGZVFWFLSA-N 1 0 295.430 3.632 10 0 CHAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Br)cc1 ZINC000052269130 261081385 /nfs/dbraw/zinc/08/13/85/261081385.db2.gz FBQVPWMHRPJZKQ-XDTLVQLUSA-N 1 0 268.198 3.898 10 0 CHAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)C1CCCCC1 ZINC000052334022 261084361 /nfs/dbraw/zinc/08/43/61/261084361.db2.gz LJEAPAIYZSOJNH-CJNGLKHVSA-N 1 0 286.419 3.653 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOc3ccccc31)CC2 ZINC000173230623 261158735 /nfs/dbraw/zinc/15/87/35/261158735.db2.gz SYYILZFQEVJQLO-ZWKOTPCHSA-N 1 0 295.382 3.796 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOc3ccccc31)CC2 ZINC000173230650 261158813 /nfs/dbraw/zinc/15/88/13/261158813.db2.gz SYYILZFQEVJQLO-ROUUACIJSA-N 1 0 295.382 3.796 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C)C2)c1C ZINC000300305659 261191799 /nfs/dbraw/zinc/19/17/99/261191799.db2.gz CXVNLWLGFHTRCE-HUBLWGQQSA-N 1 0 263.429 3.607 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(Cl)s1)CC2 ZINC000160842982 261228117 /nfs/dbraw/zinc/22/81/17/261228117.db2.gz MZRLWHKBKISMCZ-RISCZKNCSA-N 1 0 285.840 3.529 10 0 CHAERO CC[C@@H](C)[C@H](C)[N@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717589 261315744 /nfs/dbraw/zinc/31/57/44/261315744.db2.gz SLTMPLVZQNRRGM-NEPJUHHUSA-N 1 0 289.379 3.729 10 0 CHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)c1ccccc1 ZINC000106211422 261322895 /nfs/dbraw/zinc/32/28/95/261322895.db2.gz JWIJYRCDMCJHOU-YOEHRIQHSA-N 1 0 283.419 3.935 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COCc2ccccc2)o1 ZINC000178066494 261375753 /nfs/dbraw/zinc/37/57/53/261375753.db2.gz VYGMXBGBAYRGGF-DZGCQCFKSA-N 1 0 273.376 3.844 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)CC(C)(C)C1 ZINC000221376258 261825089 /nfs/dbraw/zinc/82/50/89/261825089.db2.gz NFKPEOAFYBAEHM-KGLIPLIRSA-N 1 0 255.446 3.590 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@H](C)c2cncc(F)c2)c(C)o1 ZINC000119419452 262162135 /nfs/dbraw/zinc/16/21/35/262162135.db2.gz FHJYLFGZRRMCKC-MNOVXSKESA-N 1 0 262.328 3.842 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000390581735 262223201 /nfs/dbraw/zinc/22/32/01/262223201.db2.gz JEGONTORZXKQAX-ZMSDIMECSA-N 1 0 261.409 3.760 10 0 CHAERO CC(C)(CCCO)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000221583020 262284692 /nfs/dbraw/zinc/28/46/92/262284692.db2.gz NOIXTKXFLACKBH-CABCVRRESA-N 1 0 269.473 3.980 10 0 CHAERO C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1cncc(F)c1 ZINC000221896093 262320293 /nfs/dbraw/zinc/32/02/93/262320293.db2.gz YZTJLTCODARYPH-ZJUUUORDSA-N 1 0 280.293 3.911 10 0 CHAERO CCC1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)COC1 ZINC000393983901 262444342 /nfs/dbraw/zinc/44/43/42/262444342.db2.gz IJHFISUDGXXFLT-UONOGXRCSA-N 1 0 253.430 3.608 10 0 CHAERO CC1(C)C[C@H]([NH2+]C[C@@H]2CCC=CO2)c2ccccc2O1 ZINC000188576497 264224632 /nfs/dbraw/zinc/22/46/32/264224632.db2.gz JNVMLJBPXNTYTN-ZFWWWQNUSA-N 1 0 273.376 3.571 10 0 CHAERO CC(C)OC1CC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000189516465 264303285 /nfs/dbraw/zinc/30/32/85/264303285.db2.gz OWAIIDWUPKWNQM-ZSVAQUKISA-N 1 0 279.346 3.653 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000093586102 265188551 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Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000087955061 327076067 /nfs/dbraw/zinc/07/60/67/327076067.db2.gz XQIRCGSVYAJIEP-GJZGRUSLSA-N 1 0 282.387 3.673 10 0 CHAERO CCCCC1CCC(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261731609 327080443 /nfs/dbraw/zinc/08/04/43/327080443.db2.gz REFFXWOKSIQRFO-GPANFISMSA-N 1 0 294.483 3.569 10 0 CHAERO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000124565818 327104781 /nfs/dbraw/zinc/10/47/81/327104781.db2.gz FRZMFPBJFXYSTO-OTWHNJEPSA-N 1 0 287.447 3.819 10 0 CHAERO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000252955344 327124957 /nfs/dbraw/zinc/12/49/57/327124957.db2.gz JPYHIVCVNIVHBS-KURKYZTESA-N 1 0 291.410 3.650 10 0 CHAERO Cc1c(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)cnn1C ZINC000093649504 327132712 /nfs/dbraw/zinc/13/27/12/327132712.db2.gz DTRTYCZMMUJRMK-AWEZNQCLSA-N 1 0 285.435 3.778 10 0 CHAERO CC[C@@]1(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000214435213 327134380 /nfs/dbraw/zinc/13/43/80/327134380.db2.gz OQEIIMFIOYGFNZ-KDOFPFPSSA-N 1 0 288.435 3.519 10 0 CHAERO C[C@@H]1CC(C[NH2+]C(C2CCC2)C2CCC2)C[C@@H](C)O1 ZINC000558967927 327135603 /nfs/dbraw/zinc/13/56/03/327135603.db2.gz CVUPYJYMKHDCHO-CHWSQXEVSA-N 1 0 265.441 3.748 10 0 CHAERO CC[C@H](C)[C@H](C)[NH2+]CCCc1nc2ccccc2n1C ZINC000090050552 327176431 /nfs/dbraw/zinc/17/64/31/327176431.db2.gz QNEVUMBFCPKVIM-KBPBESRZSA-N 1 0 273.424 3.530 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000047889175 327225171 /nfs/dbraw/zinc/22/51/71/327225171.db2.gz JJXLYOKREHDXPW-IAOVAPTHSA-N 1 0 277.456 3.701 10 0 CHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289525919 327458306 /nfs/dbraw/zinc/45/83/06/327458306.db2.gz AZAZICLUDGVCGT-VHSXEESVSA-N 1 0 271.202 3.539 10 0 CHAERO Cc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1Cl ZINC000193735941 329061546 /nfs/dbraw/zinc/06/15/46/329061546.db2.gz LGVIJEZKTGSZIX-HNNXBMFYSA-N 1 0 273.763 3.872 10 0 CHAERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3cscn3)C2)cc1 ZINC000172550795 329137190 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Cc1cnc([C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F)o1 ZINC000229604723 329356576 /nfs/dbraw/zinc/35/65/76/329356576.db2.gz XYDBFVFXAYYBGO-PSASIEDQSA-N 1 0 264.291 3.755 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038095863 329364181 /nfs/dbraw/zinc/36/41/81/329364181.db2.gz FWTXYURVMQPJCD-DOTOQJQBSA-N 1 0 291.435 3.941 10 0 CHAERO C[C@H](c1ccccc1)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188094217 329364287 /nfs/dbraw/zinc/36/42/87/329364287.db2.gz JEIOLDKQGVTXDB-XYPHTWIQSA-N 1 0 287.428 3.517 10 0 CHAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000189042559 329375190 /nfs/dbraw/zinc/37/51/90/329375190.db2.gz ZZGCFQFAPVOOLE-HOCLYGCPSA-N 1 0 257.377 3.823 10 0 CHAERO COc1cccc(C[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000188949074 329375952 /nfs/dbraw/zinc/37/59/52/329375952.db2.gz BMYNIAPCELVMQM-KRWDZBQOSA-N 1 0 283.371 3.617 10 0 CHAERO CCCn1ccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1 ZINC000233452045 329400798 /nfs/dbraw/zinc/40/07/98/329400798.db2.gz ZNKBDQYEHPYWHG-LSDHHAIUSA-N 1 0 266.454 3.662 10 0 CHAERO Cc1c[nH+]ccc1N1CCC(Nc2ccccc2F)CC1 ZINC000192624879 329433619 /nfs/dbraw/zinc/43/36/19/329433619.db2.gz AWOVPUQMYQWVCH-UHFFFAOYSA-N 1 0 285.366 3.610 10 0 CHAERO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000400481705 329727816 /nfs/dbraw/zinc/72/78/16/329727816.db2.gz WJLKQWYJHWIXEB-BHDSKKPTSA-N 1 0 287.234 3.785 10 0 CHAERO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccccc1F ZINC000245939948 329762904 /nfs/dbraw/zinc/76/29/04/329762904.db2.gz JSHCCAOSRDKAGX-RCCFBDPRSA-N 1 0 285.362 3.525 10 0 CHAERO c1cc2c(cccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)[nH]1 ZINC000246502981 329865633 /nfs/dbraw/zinc/86/56/33/329865633.db2.gz KFSPEWFDJXRJBF-KBAYOESNSA-N 1 0 296.414 3.605 10 0 CHAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000247177420 329877184 /nfs/dbraw/zinc/87/71/84/329877184.db2.gz UZVYSSXNBMQETB-NTZNESFSSA-N 1 0 282.453 3.793 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cc(F)ccc1F ZINC000248145192 329887996 /nfs/dbraw/zinc/88/79/96/329887996.db2.gz QASWBMUDZIIAEJ-UVBJJODRSA-N 1 0 283.362 3.557 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)cc1 ZINC000248707380 329897575 /nfs/dbraw/zinc/89/75/75/329897575.db2.gz AWIPLZRKGIJPJS-KNXALSJPSA-N 1 0 279.811 3.948 10 0 CHAERO Cc1cccc(C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C2CC2)c1 ZINC000248753632 329898814 /nfs/dbraw/zinc/89/88/14/329898814.db2.gz GACWNDJQEKGOPG-HSALFYBXSA-N 1 0 299.458 3.863 10 0 CHAERO Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248785396 329899253 /nfs/dbraw/zinc/89/92/53/329899253.db2.gz IIOPVOQUIYVOPS-HYVNUMGLSA-N 1 0 291.822 3.875 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F)c1C ZINC000396932818 330231600 /nfs/dbraw/zinc/23/16/00/330231600.db2.gz BDYHDJNAVFTKCA-NXEZZACHSA-N 1 0 291.361 3.759 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000397174283 330241721 /nfs/dbraw/zinc/24/17/21/330241721.db2.gz FZTYAWQDUGSCGI-OFQRWUPVSA-N 1 0 253.430 3.608 10 0 CHAERO CCCC[C@@H](CC)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000036281311 330253588 /nfs/dbraw/zinc/25/35/88/330253588.db2.gz ITTROAOYOYVXAH-OAHLLOKOSA-N 1 0 276.424 3.951 10 0 CHAERO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000036920880 330313878 /nfs/dbraw/zinc/31/38/78/330313878.db2.gz LQDWLESWAAAMLS-HZPDHXFCSA-N 1 0 277.456 3.731 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000105689673 330328006 /nfs/dbraw/zinc/32/80/06/330328006.db2.gz CYDNTOHBKOJUAA-HKUYNNGSSA-N 1 0 281.399 3.853 10 0 CHAERO O=C(CCC[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000105938852 330330880 /nfs/dbraw/zinc/33/08/80/330330880.db2.gz ZLESRIRRGRDUNF-AWEZNQCLSA-N 1 0 299.336 3.924 10 0 CHAERO COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044673982 330331567 /nfs/dbraw/zinc/33/15/67/330331567.db2.gz WMEQSYNCKCDHKB-KBRIMQKVSA-N 1 0 267.372 3.902 10 0 CHAERO c1cnn(CC2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c1 ZINC000106183171 330332801 /nfs/dbraw/zinc/33/28/01/330332801.db2.gz UOQCRHRGXNHSSS-IBGZPJMESA-N 1 0 295.430 3.673 10 0 CHAERO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)on1 ZINC000044985271 330334596 /nfs/dbraw/zinc/33/45/96/330334596.db2.gz AXCJMAQWSHRMHP-NILFDRSVSA-N 1 0 250.386 3.533 10 0 CHAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000119304587 330372625 /nfs/dbraw/zinc/37/26/25/330372625.db2.gz URPRSMCDQSNVPW-LSDHHAIUSA-N 1 0 298.430 3.795 10 0 CHAERO CCC1(CC)C[NH2+]C[C@H]1c1ccccc1Br ZINC000536950253 330382207 /nfs/dbraw/zinc/38/22/07/330382207.db2.gz DZVIKBRGXLMLPZ-LBPRGKRZSA-N 1 0 282.225 3.942 10 0 CHAERO Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)s1 ZINC000090845701 330396505 /nfs/dbraw/zinc/39/65/05/330396505.db2.gz JBSPKXZKELUYKX-MJVIPROJSA-N 1 0 288.416 3.667 10 0 CHAERO CC[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1nccs1 ZINC000090976809 330397375 /nfs/dbraw/zinc/39/73/75/330397375.db2.gz CCOLJFQGVYCNLJ-JSGCOSHPSA-N 1 0 258.390 3.524 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(C)ccc1OC ZINC000093397133 330420191 /nfs/dbraw/zinc/42/01/91/330420191.db2.gz LJBWSNLKPRFBRH-BPUTZDHNSA-N 1 0 277.408 3.612 10 0 CHAERO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000085976938 330493186 /nfs/dbraw/zinc/49/31/86/330493186.db2.gz QAWVTAKDUYXZNI-SOLBZPMBSA-N 1 0 285.387 3.510 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000163386955 331030983 /nfs/dbraw/zinc/03/09/83/331030983.db2.gz VNOHPPRWGCXZNT-QXSJWSMHSA-N 1 0 267.457 3.732 10 0 CHAERO CC[C@@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000163905751 331138740 /nfs/dbraw/zinc/13/87/40/331138740.db2.gz SBMUWEWTUNUSTB-HTQZYQBOSA-N 1 0 280.170 3.554 10 0 CHAERO CC[C@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000163905632 331138744 /nfs/dbraw/zinc/13/87/44/331138744.db2.gz SBMUWEWTUNUSTB-SFYZADRCSA-N 1 0 280.170 3.554 10 0 CHAERO CC[C@H](O)CC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000166130594 331306697 /nfs/dbraw/zinc/30/66/97/331306697.db2.gz JPCCSPIFYSUVLV-HKUYNNGSSA-N 1 0 283.415 3.835 10 0 CHAERO CC(C)[C@H](C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000166465072 331307307 /nfs/dbraw/zinc/30/73/07/331307307.db2.gz HOIWIPWZEUFILG-VIFPVBQESA-N 1 0 263.278 3.979 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000466426064 331396577 /nfs/dbraw/zinc/39/65/77/331396577.db2.gz RIYMEFUQSPPNFP-RYUDHWBXSA-N 1 0 267.800 3.633 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C[C@H](C)O1 ZINC000467431267 331418831 /nfs/dbraw/zinc/41/88/31/331418831.db2.gz XBWYHJIUNYISAR-AEKWLRTRSA-N 1 0 265.441 3.748 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000467434588 331419111 /nfs/dbraw/zinc/41/91/11/331419111.db2.gz VSIHIOCDZVQUAW-FZKCQIBNSA-N 1 0 261.409 3.849 10 0 CHAERO C[C@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)C[C@@H](C)C1 ZINC000252131194 334374186 /nfs/dbraw/zinc/37/41/86/334374186.db2.gz MANGRJPPKNRKBI-NHIYQJMISA-N 1 0 259.393 3.925 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC[C@H](C)c1ccccc1 ZINC000248828231 334318334 /nfs/dbraw/zinc/31/83/34/334318334.db2.gz GTCSNTXQXTUFSZ-QFBILLFUSA-N 1 0 297.446 3.850 10 0 CHAERO O[C@@]12CCCC[C@H]1C[N@H+](CCc1ccc(Cl)cc1)CC2 ZINC000308450955 333031679 /nfs/dbraw/zinc/03/16/79/333031679.db2.gz NSNYWYJZYPDOSM-DOTOQJQBSA-N 1 0 293.838 3.510 10 0 CHAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1C[C@H]1C ZINC000309556300 333045429 /nfs/dbraw/zinc/04/54/29/333045429.db2.gz JUQYWMFKCAYMGN-JRKPZEMJSA-N 1 0 286.188 3.517 10 0 CHAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000219028071 333140403 /nfs/dbraw/zinc/14/04/03/333140403.db2.gz JYEQPHYIBQIGDC-RISCZKNCSA-N 1 0 288.218 3.634 10 0 CHAERO CCO[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCOCC2 ZINC000186222830 333156945 /nfs/dbraw/zinc/15/69/45/333156945.db2.gz YJWNTDBNHPYCRD-IRXDYDNUSA-N 1 0 295.467 3.521 10 0 CHAERO CCO[C@H]1C[C@H]([NH2+]CC(C)(C)CC(C)C)C12CCOCC2 ZINC000186418098 333160437 /nfs/dbraw/zinc/16/04/37/333160437.db2.gz ZCYMPUPECZZIKR-HOTGVXAUSA-N 1 0 297.483 3.623 10 0 CHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000220809002 333169572 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CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000231674897 333327526 /nfs/dbraw/zinc/32/75/26/333327526.db2.gz IGGOZBJDJUFNNM-ZYHUDNBSSA-N 1 0 285.334 3.575 10 0 CHAERO CCN1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233485718 333352900 /nfs/dbraw/zinc/35/29/00/333352900.db2.gz XVJKJUKVPIPXKD-ZWKOTPCHSA-N 1 0 274.452 3.500 10 0 CHAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000235231322 333366995 /nfs/dbraw/zinc/36/69/95/333366995.db2.gz JOYKYHVZAFQMIW-YUELXQCFSA-N 1 0 259.393 3.925 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000393411929 333412706 /nfs/dbraw/zinc/41/27/06/333412706.db2.gz BAQZJHQBFNBKIZ-PMPSAXMXSA-N 1 0 269.473 3.836 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000397727600 333427958 /nfs/dbraw/zinc/42/79/58/333427958.db2.gz ARADTNPJVKZAPA-GJZGRUSLSA-N 1 0 251.414 3.528 10 0 CHAERO Cc1sccc1C[NH2+][C@H](C)COCc1ccccc1 ZINC000339287740 335142898 /nfs/dbraw/zinc/14/28/98/335142898.db2.gz YQKFFNYLIFKDCZ-CYBMUJFWSA-N 1 0 275.417 3.751 10 0 CHAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037621790 333535260 /nfs/dbraw/zinc/53/52/60/333535260.db2.gz UAUKNJWXEFYYLE-UGSOOPFHSA-N 1 0 290.451 3.679 10 0 CHAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000134240198 334085229 /nfs/dbraw/zinc/08/52/29/334085229.db2.gz JFYFXQQFONZUTP-LRDDRELGSA-N 1 0 273.401 3.682 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]Cc2ccnc3ccccc23)s1 ZINC000134911550 334108159 /nfs/dbraw/zinc/10/81/59/334108159.db2.gz WYVOFBCXBGJPKC-GFCCVEGCSA-N 1 0 283.400 3.851 10 0 CHAERO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H](C)C(C)C)o2)cc1 ZINC000078406606 334132822 /nfs/dbraw/zinc/13/28/22/334132822.db2.gz PZDZDBIUQFQSHV-OLZOCXBDSA-N 1 0 273.380 3.740 10 0 CHAERO CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](CC)C1)N(C)C ZINC000080429114 334171439 /nfs/dbraw/zinc/17/14/39/334171439.db2.gz XUMNSQROPSIZLE-BMFZPTHFSA-N 1 0 254.462 3.521 10 0 CHAERO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)n1 ZINC000246410710 334256785 /nfs/dbraw/zinc/25/67/85/334256785.db2.gz RGRVQQHQEPJYHL-KGLIPLIRSA-N 1 0 287.432 3.787 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)CCc1ccccc1 ZINC000246848133 334270620 /nfs/dbraw/zinc/27/06/20/334270620.db2.gz BZYWKAXSHZXELQ-VQIMIIECSA-N 1 0 297.446 3.677 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000248175526 334296383 /nfs/dbraw/zinc/29/63/83/334296383.db2.gz VNOHPPRWGCXZNT-JJXSEGSLSA-N 1 0 267.457 3.732 10 0 CHAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1nc2ccccc2n1C ZINC000090050907 334356525 /nfs/dbraw/zinc/35/65/25/334356525.db2.gz GBXZDAWLVKIPKI-CABCVRRESA-N 1 0 285.435 3.674 10 0 CHAERO CCC[C@H]([NH2+]CC1CC(O)C1)c1ccc(Cl)cc1 ZINC000091415664 334377923 /nfs/dbraw/zinc/37/79/23/334377923.db2.gz JKJHOHREROKVCR-KWCHVYNWSA-N 1 0 267.800 3.542 10 0 CHAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC(=O)N(C)c3ccccc32)[C@H]1C ZINC000252427163 334379516 /nfs/dbraw/zinc/37/95/16/334379516.db2.gz XQLQPGHPFJBRJD-VRKREXBASA-N 1 0 286.419 3.509 10 0 CHAERO C[C@@H](c1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252513063 334381787 /nfs/dbraw/zinc/38/17/87/334381787.db2.gz JIGXWHHCNDXDSH-BBRMVZONSA-N 1 0 278.827 3.571 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cnc2ccsc2c1 ZINC000252895231 334399508 /nfs/dbraw/zinc/39/95/08/334399508.db2.gz ZSYUFJFQWAUZIQ-NJZAAPMLSA-N 1 0 290.432 3.641 10 0 CHAERO Cc1nnc(CC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)s1 ZINC000353571233 335752745 /nfs/dbraw/zinc/75/27/45/335752745.db2.gz VDECPCUFELHILT-CHWSQXEVSA-N 1 0 281.469 3.584 10 0 CHAERO CCC[N@@H+](Cc1nnc(C(C)C)n1C)CC1CCCCC1 ZINC000195104203 336045284 /nfs/dbraw/zinc/04/52/84/336045284.db2.gz JZJKOXSFGNUYBH-UHFFFAOYSA-N 1 0 292.471 3.731 10 0 CHAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383528537 336112581 /nfs/dbraw/zinc/11/25/81/336112581.db2.gz MGMHDAGHHWVAKV-ZJUUUORDSA-N 1 0 271.273 3.742 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)c1C ZINC000384454436 336124580 /nfs/dbraw/zinc/12/45/80/336124580.db2.gz ASKFVKXDIPWLKX-RYUDHWBXSA-N 1 0 265.445 3.995 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC(C)(C)C2CCC2)c1C ZINC000385083599 336137402 /nfs/dbraw/zinc/13/74/02/336137402.db2.gz ZLQMXQRQBYJAAI-LBPRGKRZSA-N 1 0 277.456 3.997 10 0 CHAERO CC(C)C[C@H]1CSC(N[C@H](C)Cc2ccsc2)=[NH+]1 ZINC000049185361 519419259 /nfs/dbraw/zinc/41/92/59/519419259.db2.gz YKWPSMZZKPBQAI-YPMHNXCESA-N 1 0 282.478 3.786 10 0 CHAERO CC(C)=CC[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000156698603 519428560 /nfs/dbraw/zinc/42/85/60/519428560.db2.gz QDTJACNOUKSIDR-UHFFFAOYSA-N 1 0 250.411 3.597 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C1 ZINC000053010733 519723624 /nfs/dbraw/zinc/72/36/24/519723624.db2.gz BSVQJODYKUONHZ-NSHDSACASA-N 1 0 287.234 3.818 10 0 CHAERO CC(C)C[NH2+]CCCc1ccc(Br)s1 ZINC000052949573 519743939 /nfs/dbraw/zinc/74/39/39/519743939.db2.gz FJNOHCFRJVPUDQ-UHFFFAOYSA-N 1 0 276.243 3.689 10 0 CHAERO CC(C)C[NH2+]Cc1ccoc1CO[C@H](C)CC(C)C ZINC000052603298 519748150 /nfs/dbraw/zinc/74/81/50/519748150.db2.gz PWQCOZOLGFSHPB-CQSZACIVSA-N 1 0 267.413 3.976 10 0 CHAERO CC(C)C[NH2+]Cc1sc(N2CCCC2)nc1C(C)(C)C ZINC000054995157 519749198 /nfs/dbraw/zinc/74/91/98/519749198.db2.gz BCTQTTMESPGRFD-UHFFFAOYSA-N 1 0 295.496 3.786 10 0 CHAERO CCC[NH2+]CC1(Cc2ccccc2Cl)CCOCC1 ZINC000061674203 519910953 /nfs/dbraw/zinc/91/09/53/519910953.db2.gz ZYBPOLIEDKAXHR-UHFFFAOYSA-N 1 0 281.827 3.679 10 0 CHAERO CC[NH2+]CCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000061288572 519917054 /nfs/dbraw/zinc/91/70/54/519917054.db2.gz HLPXUTOZNBUPJW-UHFFFAOYSA-N 1 0 295.597 3.585 10 0 CHAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000054592533 519927386 /nfs/dbraw/zinc/92/73/86/519927386.db2.gz UJURHSKRTXBUQF-WCQYABFASA-N 1 0 257.299 3.809 10 0 CHAERO CCC[NH2+]C[C@H](C(C)C)N(C)[C@@H](C)c1cccs1 ZINC000052506392 519929310 /nfs/dbraw/zinc/92/93/10/519929310.db2.gz QHSJPVILVGTHQU-UONOGXRCSA-N 1 0 268.470 3.765 10 0 CHAERO CCC[NH2+]Cc1cnc(N(C)[C@H](C)CCC)c(Cl)c1 ZINC000051446345 519962755 /nfs/dbraw/zinc/96/27/55/519962755.db2.gz YDHKEQDHZOLXER-GFCCVEGCSA-N 1 0 283.847 3.859 10 0 CHAERO CC[NH2+]C[C@H](c1ccccc1)N(C)[C@@H](C)C(C)(C)C ZINC000052504610 519975057 /nfs/dbraw/zinc/97/50/57/519975057.db2.gz WLYZOZXYRLSHOL-GOEBONIOSA-N 1 0 262.441 3.704 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)C1CCOCC1 ZINC000061672056 520016170 /nfs/dbraw/zinc/01/61/70/520016170.db2.gz CQZHQPOTRHEZSV-KRWDZBQOSA-N 1 0 261.409 3.716 10 0 CHAERO CC[NH2+][C@@H](C)Cc1ccc(-c2cc(F)ccc2F)o1 ZINC000062770781 520072933 /nfs/dbraw/zinc/07/29/33/520072933.db2.gz SEGYZGKDJSMMJW-JTQLQIEISA-N 1 0 265.303 3.765 10 0 CHAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000054456228 520103838 /nfs/dbraw/zinc/10/38/38/520103838.db2.gz LDOYSABIRIALJQ-ZDUSSCGKSA-N 1 0 267.731 3.965 10 0 CHAERO CC[NH2+][C@H](Cc1ccc(F)cc1F)c1cccs1 ZINC000050885915 520203129 /nfs/dbraw/zinc/20/31/29/520203129.db2.gz MSEPRCANWOFUEQ-CYBMUJFWSA-N 1 0 267.344 3.920 10 0 CHAERO CCCCN(CCCC)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054894871 520498365 /nfs/dbraw/zinc/49/83/65/520498365.db2.gz MGKCFCNJMZVREF-GFCCVEGCSA-N 1 0 281.469 3.886 10 0 CHAERO CCCCc1ccc([C@H]([NH2+]C)[C@@H]2CCCCO2)cc1 ZINC000050961551 521288757 /nfs/dbraw/zinc/28/87/57/521288757.db2.gz NUKILIQZUSSJHD-IRXDYDNUSA-N 1 0 261.409 3.859 10 0 CHAERO CCCc1nc(N(CC)CC)sc1C[NH2+]CC(C)C ZINC000054995214 521530979 /nfs/dbraw/zinc/53/09/79/521530979.db2.gz BBMALVPYJWYNLD-UHFFFAOYSA-N 1 0 283.485 3.687 10 0 CHAERO C[NH2+]C[C@@H](OC1CCC(C)CC1)c1ccccc1F ZINC000050491004 522036328 /nfs/dbraw/zinc/03/63/28/522036328.db2.gz RHWYAASLUKCHCT-SEEARECTSA-N 1 0 265.372 3.682 10 0 CHAERO C[NH2+]C[C@@H](OC1CCCC1)c1ccccc1Cl ZINC000050487514 522036461 /nfs/dbraw/zinc/03/64/61/522036461.db2.gz RFGKNQJXVXRBFS-CQSZACIVSA-N 1 0 253.773 3.560 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191694552 533741395 /nfs/dbraw/zinc/74/13/95/533741395.db2.gz VIDUDMRWXHNQOD-XRGYYRRGSA-N 1 0 280.618 3.662 10 0 CHAERO C[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)C1CCOCC1 ZINC000061671681 522366764 /nfs/dbraw/zinc/36/67/64/522366764.db2.gz XSBLVUIDDXSYKS-INIZCTEOSA-N 1 0 261.409 3.671 10 0 CHAERO CCc1nc(N(C)[C@@H](C)CC)sc1C[NH2+]CC(C)C ZINC000054996788 522380487 /nfs/dbraw/zinc/38/04/87/522380487.db2.gz RQFBFHKVMMRTFZ-LBPRGKRZSA-N 1 0 283.485 3.686 10 0 CHAERO C[NH2+][C@H]1CCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000049345990 522491425 /nfs/dbraw/zinc/49/14/25/522491425.db2.gz YNKHFKDGFQCYPY-YGRLFVJLSA-N 1 0 255.764 3.800 10 0 CHAERO COc1ccccc1/C=C/C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000102419965 533949415 /nfs/dbraw/zinc/94/94/15/533949415.db2.gz QCVDQQGHHJWDEJ-OWNNVSBGSA-N 1 0 271.360 3.961 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ncc(-c2ccccc2)o1 ZINC000248564419 518183466 /nfs/dbraw/zinc/18/34/66/518183466.db2.gz DPPKHBASTWKZLP-KCQAQPDRSA-N 1 0 286.375 3.560 10 0 CHAERO CC(C)(C)[NH2+]CCCc1ccc(Br)cc1 ZINC000052949492 518756025 /nfs/dbraw/zinc/75/60/25/518756025.db2.gz KSMFAJVNJJHKBE-UHFFFAOYSA-N 1 0 270.214 3.770 10 0 CHAERO CC(C)(C)[NH2+]Cc1cnc(-c2ccccc2Cl)nc1 ZINC000054856409 518767690 /nfs/dbraw/zinc/76/76/90/518767690.db2.gz KJRYUTOMRBGEJQ-UHFFFAOYSA-N 1 0 275.783 3.685 10 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SGDFPPDAOSLKFU-KKUMJFAQSA-N 1 0 267.457 3.994 10 0 CHAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1Cc1ccccc1Cl ZINC000062671504 519827127 /nfs/dbraw/zinc/82/71/27/519827127.db2.gz HQWLMYWXVDTXIG-OAHLLOKOSA-N 1 0 280.843 3.548 10 0 CHAERO CCCC1CCC([NH2+][C@@H]2CCCC[C@H]2OC)CC1 ZINC000049543716 519899388 /nfs/dbraw/zinc/89/93/88/519899388.db2.gz LYIPONVYQMGVOG-QDIHITRGSA-N 1 0 253.430 3.893 10 0 CHAERO CCCC1CCC([NH2+][C@@H]2CCCC[C@@H]2OC)CC1 ZINC000049543713 519899528 /nfs/dbraw/zinc/89/95/28/519899528.db2.gz LYIPONVYQMGVOG-FJBKBRRZSA-N 1 0 253.430 3.893 10 0 CHAERO CCCC1CCN(CC[NH2+][C@@H](C)c2cccs2)CC1 ZINC000053387544 519901339 /nfs/dbraw/zinc/90/13/39/519901339.db2.gz JKGSXSWWFKATBN-AWEZNQCLSA-N 1 0 280.481 3.911 10 0 CHAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(Cl)c(F)c1 ZINC000054629455 519910582 /nfs/dbraw/zinc/91/05/82/519910582.db2.gz JMIPGZDFMSXEQA-YOGCLGLASA-N 1 0 282.790 3.588 10 0 CHAERO CC[NH2+]CCC[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962070 519920150 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CCNc1ccc(C[N@H+](C)C2CCC(C)CC2)cn1 ZINC000050817577 520298750 /nfs/dbraw/zinc/29/87/50/520298750.db2.gz GOLCOISYVUCVCW-UHFFFAOYSA-N 1 0 261.413 3.524 10 0 CHAERO CCCOc1ccc([C@H]([NH3+])c2nc(C)c(C)s2)cc1 ZINC000052920462 520430279 /nfs/dbraw/zinc/43/02/79/520430279.db2.gz KXEQFKCRFDRKPU-AWEZNQCLSA-N 1 0 276.405 3.597 10 0 CHAERO CCCC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062625641 520598260 /nfs/dbraw/zinc/59/82/60/520598260.db2.gz JUJOFNRCANUKPQ-HOTGVXAUSA-N 1 0 254.462 3.521 10 0 CHAERO CCCC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062625642 520598916 /nfs/dbraw/zinc/59/89/16/520598916.db2.gz JUJOFNRCANUKPQ-CVEARBPZSA-N 1 0 254.462 3.521 10 0 CHAERO CCC[C@@H](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000061674489 520628739 /nfs/dbraw/zinc/62/87/39/520628739.db2.gz QEHSGKRYMCKVGH-CQSZACIVSA-N 1 0 255.446 3.998 10 0 CHAERO CC1(c2nc3cccc(Cl)c3s2)CC[NH2+]CC1 ZINC000062843136 520787383 /nfs/dbraw/zinc/78/73/83/520787383.db2.gz NICWDFXRUSMZFN-UHFFFAOYSA-N 1 0 266.797 3.591 10 0 CHAERO CCC[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049543933 520793485 /nfs/dbraw/zinc/79/34/85/520793485.db2.gz BSZUFVPNAVMGQY-MJBXVCDLSA-N 1 0 267.438 3.873 10 0 CHAERO CCOC(=O)C[C@@H]([NH2+]Cc1ccccc1)c1cccs1 ZINC000067730375 520841909 /nfs/dbraw/zinc/84/19/09/520841909.db2.gz GTUSISKJYZQQER-CQSZACIVSA-N 1 0 289.400 3.532 10 0 CHAERO CCCCO[C@H](C[NH2+]CC)c1ccccc1Cl ZINC000050483083 520842990 /nfs/dbraw/zinc/84/29/90/520842990.db2.gz LMKVOJQFIGZFNB-CQSZACIVSA-N 1 0 255.789 3.807 10 0 CHAERO CC1CCC(OCc2occc2C[NH2+]C2CC2)CC1 ZINC000052619126 520962033 /nfs/dbraw/zinc/96/20/33/520962033.db2.gz RMAUTRJPXVEDHX-UHFFFAOYSA-N 1 0 263.381 3.627 10 0 CHAERO CC1CCC([C@@H]([NH3+])Cc2ccc(F)cc2F)CC1 ZINC000050886281 520963437 /nfs/dbraw/zinc/96/34/37/520963437.db2.gz USVKDILDKLYAID-NWHVRFAMSA-N 1 0 253.336 3.661 10 0 CHAERO CCCC[C@@H]([NH3+])c1cc(Cl)c(OC)c(OC)c1 ZINC000053830351 521074145 /nfs/dbraw/zinc/07/41/45/521074145.db2.gz LTGVCNUFDRSRFF-LLVKDONJSA-N 1 0 257.761 3.547 10 0 CHAERO CCCc1cc(N)c2cc(OC(F)(F)F)ccc2[nH+]1 ZINC000050869772 521365569 /nfs/dbraw/zinc/36/55/69/521365569.db2.gz BCXZRFPWJMLKSA-UHFFFAOYSA-N 1 0 270.254 3.668 10 0 CHAERO CCCc1ccc([C@@H](O)C[NH2+]C2CCCCC2)cc1 ZINC000049849674 521415949 /nfs/dbraw/zinc/41/59/49/521415949.db2.gz XABGNZMBYMBCBF-KRWDZBQOSA-N 1 0 261.409 3.595 10 0 CHAERO CCOc1ccccc1-c1csc([C@@H]2CCC[NH2+]2)n1 ZINC000053251301 521438794 /nfs/dbraw/zinc/43/87/94/521438794.db2.gz VHOWNBGOOVPJSK-LBPRGKRZSA-N 1 0 274.389 3.633 10 0 CHAERO CCC(CC)(C[NH2+]CCOC)c1ccc(F)cc1Cl ZINC000062609082 521442129 /nfs/dbraw/zinc/44/21/29/521442129.db2.gz QCJRYPSUTZNCFB-UHFFFAOYSA-N 1 0 287.806 3.773 10 0 CHAERO CCN(c1ccc(C(N)=[NH2+])cc1Cl)C1CCCCC1 ZINC000062793942 521480807 /nfs/dbraw/zinc/48/08/07/521480807.db2.gz VOYBDKJJPLNPAL-UHFFFAOYSA-N 1 0 279.815 3.783 10 0 CHAERO CCC(CC)CN(CC)c1ncc([C@@H](C)[NH2+]C)s1 ZINC000054907622 521523477 /nfs/dbraw/zinc/52/34/77/521523477.db2.gz HYHHRLTUUVMOTG-LLVKDONJSA-N 1 0 269.458 3.686 10 0 CHAERO CCN(c1nc(C)c([C@@H](C)[NH2+]C)s1)c1ccccc1 ZINC000054899206 521504045 /nfs/dbraw/zinc/50/40/45/521504045.db2.gz AGZNKHUZPCMNPY-LLVKDONJSA-N 1 0 275.421 3.890 10 0 CHAERO CCN(c1nc(C)c([C@H](C)[NH3+])s1)c1ccc(F)cc1 ZINC000054896925 521505451 /nfs/dbraw/zinc/50/54/51/521505451.db2.gz NZBVOLFFHQCEMF-VIFPVBQESA-N 1 0 279.384 3.768 10 0 CHAERO CCCc1nc(N(CC)C2CC2)sc1C[NH2+]C(C)C ZINC000054996861 521531310 /nfs/dbraw/zinc/53/13/10/521531310.db2.gz OSZXQTXYHCRGJR-UHFFFAOYSA-N 1 0 281.469 3.582 10 0 CHAERO CCC(CC)[C@H]([NH2+]C)c1cc(OC)c(OC)cc1F ZINC000061561039 521619707 /nfs/dbraw/zinc/61/97/07/521619707.db2.gz POONPBDFBIDKSE-HNNXBMFYSA-N 1 0 269.360 3.540 10 0 CHAERO C[NH2+]CC1(Cc2cc(F)ccc2F)CCCCC1 ZINC000054654796 521972029 /nfs/dbraw/zinc/97/20/29/521972029.db2.gz MDZLVLOEDAAUDZ-UHFFFAOYSA-N 1 0 253.336 3.677 10 0 CHAERO CC[C@@H](C)C[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000054471398 521995333 /nfs/dbraw/zinc/99/53/33/521995333.db2.gz ZJIQFFTYEDGIJU-SECBINFHSA-N 1 0 289.206 3.568 10 0 CHAERO C[NH2+]Cc1ccc(Oc2cccc(F)c2F)c(F)c1 ZINC000062616344 522124749 /nfs/dbraw/zinc/12/47/49/522124749.db2.gz ATAOXSOCISJDCZ-UHFFFAOYSA-N 1 0 267.250 3.616 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(Cl)c1 ZINC000061698931 522334132 /nfs/dbraw/zinc/33/41/32/522334132.db2.gz KGXUZPSVXIHLTD-AAEUAGOBSA-N 1 0 283.799 3.568 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Oc1cccc(F)c1F)c1cccs1 ZINC000062612705 522337149 /nfs/dbraw/zinc/33/71/49/522337149.db2.gz JFJFKDURVLVZSJ-IINYFYTJSA-N 1 0 283.343 3.884 10 0 CHAERO CC[C@H]([NH3+])[C@@H](SCC1CCCC1)c1ccco1 ZINC000062835875 522337884 /nfs/dbraw/zinc/33/78/84/522337884.db2.gz SZHYJQBPGPIVEP-GXTWGEPZSA-N 1 0 253.411 3.981 10 0 CHAERO C[NH2+][C@@H](Cc1cc(F)cc(F)c1)C1CCCCC1 ZINC000049349030 522360824 /nfs/dbraw/zinc/36/08/24/522360824.db2.gz RUCVVDPIGYDFLE-HNNXBMFYSA-N 1 0 253.336 3.676 10 0 CHAERO C[NH2+][C@@H](Cc1cccs1)[C@@H]1CCCc2ccccc21 ZINC000063158077 522361694 /nfs/dbraw/zinc/36/16/94/522361694.db2.gz ZDIVLUWDXDYLLO-SJORKVTESA-N 1 0 271.429 3.999 10 0 CHAERO C[NH2+][C@@H]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055231431 522377391 /nfs/dbraw/zinc/37/73/91/522377391.db2.gz WXZDLQXRZVJFKQ-CHWSQXEVSA-N 1 0 257.299 3.951 10 0 CHAERO C[NH2+][C@@H]1CCCCCC[C@H]1Oc1cccc(F)c1F ZINC000062614076 522377410 /nfs/dbraw/zinc/37/74/10/522377410.db2.gz NVHYCTFLOYLKCO-CHWSQXEVSA-N 1 0 269.335 3.654 10 0 CHAERO C[NH2+][C@H](C)Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000062770680 522442421 /nfs/dbraw/zinc/44/24/21/522442421.db2.gz GTMGOAGEXRGICV-SECBINFHSA-N 1 0 267.731 3.890 10 0 CHAERO C[NH2+][C@H](C)c1c(F)cccc1OCc1cccs1 ZINC000049585755 522444045 /nfs/dbraw/zinc/44/40/45/522444045.db2.gz HQLXJGKYIBCXIP-SNVBAGLBSA-N 1 0 265.353 3.747 10 0 CHAERO C[NH2+][C@H](Cc1cccc(F)c1F)c1ccc(F)cc1 ZINC000053789464 522473080 /nfs/dbraw/zinc/47/30/80/522473080.db2.gz BCXQURDOQJITRR-CQSZACIVSA-N 1 0 265.278 3.607 10 0 CHAERO CC[C@@H](C[NH2+]CC(C)C)Cc1ccc(F)cc1F ZINC000052974235 522546276 /nfs/dbraw/zinc/54/62/76/522546276.db2.gz FRFJFVSRQBJIRW-GFCCVEGCSA-N 1 0 255.352 3.779 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(-c2ccccc2COC)s1 ZINC000049511060 522655954 /nfs/dbraw/zinc/65/59/54/522655954.db2.gz HMRLWVZPOXGTMB-CYBMUJFWSA-N 1 0 261.390 3.971 10 0 CHAERO CC[C@@H]([NH2+][C@H]1COc2ccccc21)c1ccccc1 ZINC000070196882 522953049 /nfs/dbraw/zinc/95/30/49/522953049.db2.gz GTBUWGYYGWQYAX-CVEARBPZSA-N 1 0 253.345 3.861 10 0 CHAERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050442891 523027785 /nfs/dbraw/zinc/02/77/85/523027785.db2.gz ZHQQEVDEBVSKDM-ZDUSSCGKSA-N 1 0 252.789 3.687 10 0 CHAERO CC[C@@H]1CCCCN1c1cc(Cl)ccc1C[NH3+] ZINC000062786771 523178140 /nfs/dbraw/zinc/17/81/40/523178140.db2.gz YBPHWYLJVGZJNJ-CYBMUJFWSA-N 1 0 252.789 3.568 10 0 CHAERO CC[C@H]1CSC(N[C@@H](c2cccs2)C(C)C)=[NH+]1 ZINC000049559182 523356832 /nfs/dbraw/zinc/35/68/32/523356832.db2.gz RYXFMGMMCLITAF-CMPLNLGQSA-N 1 0 268.451 3.916 10 0 CHAERO CC[C@](C)(C[NH2+]C)Oc1cc(C)c(Cl)c(C)c1 ZINC000051959589 523464076 /nfs/dbraw/zinc/46/40/76/523464076.db2.gz CPNWUAHYYFCPSV-CQSZACIVSA-N 1 0 255.789 3.724 10 0 CHAERO CN(c1cccc(F)c1)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860208 523646688 /nfs/dbraw/zinc/64/66/88/523646688.db2.gz AKNAJAYOWQFBBS-UHFFFAOYSA-N 1 0 277.730 3.531 10 0 CHAERO C[N@@H+]1CCCC[C@H]1CNc1ccc(C(F)(F)F)cc1 ZINC000054186899 523800911 /nfs/dbraw/zinc/80/09/11/523800911.db2.gz CFUBHVICHGGTSV-ZDUSSCGKSA-N 1 0 272.314 3.602 10 0 CHAERO CCc1cc(OCc2cc(C[NH3+])oc2C)ccc1Cl ZINC000052699763 523841211 /nfs/dbraw/zinc/84/12/11/523841211.db2.gz GWPWQMIKLMYALO-UHFFFAOYSA-N 1 0 279.767 3.842 10 0 CHAERO CCc1ccc(-c2cc(C[NH2+]C(C)(C)C)[nH]n2)cc1 ZINC000050479380 523854035 /nfs/dbraw/zinc/85/40/35/523854035.db2.gz LLBIUMSBGRIDJJ-UHFFFAOYSA-N 1 0 257.381 3.527 10 0 CHAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000054598924 523944587 /nfs/dbraw/zinc/94/45/87/523944587.db2.gz BJDIIOSVRSLCSM-RISCZKNCSA-N 1 0 288.218 3.507 10 0 CHAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(Cl)cc1Cl ZINC000054598878 523945057 /nfs/dbraw/zinc/94/50/57/523945057.db2.gz LEGJMKJBIWKDOS-QMTHXVAHSA-N 1 0 288.218 3.507 10 0 CHAERO CCc1ccc(C[C@@](C)([NH3+])c2ccc(F)cc2)s1 ZINC000053755185 523951058 /nfs/dbraw/zinc/95/10/58/523951058.db2.gz GBNDIMCSFHEMRY-OAHLLOKOSA-N 1 0 263.381 3.866 10 0 CHAERO CC[C@H](C)[NH2+]C[C@H](O)c1cc(C(C)(C)C)ccc1C ZINC000049854882 524003972 /nfs/dbraw/zinc/00/39/72/524003972.db2.gz DKXUFXOYQKNACD-BBRMVZONSA-N 1 0 263.425 3.714 10 0 CHAERO C[NH+](C)CCCC1(c2ccc(C(C)(C)C)cc2)COC1 ZINC000049112358 524051882 /nfs/dbraw/zinc/05/18/82/524051882.db2.gz JBROHYJMMLBPKJ-UHFFFAOYSA-N 1 0 275.436 3.594 10 0 CHAERO CCc1ccc([C@H](O)CC[NH2+]C2CCCCC2)cc1 ZINC000049849779 524052099 /nfs/dbraw/zinc/05/20/99/524052099.db2.gz CETJKCQNRFOYLL-QGZVFWFLSA-N 1 0 261.409 3.595 10 0 CHAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OC/C=C/Cl ZINC000062732461 524069006 /nfs/dbraw/zinc/06/90/06/524069006.db2.gz OWHVDKJBALZCTM-VMPITWQZSA-N 1 0 283.799 3.715 10 0 CHAERO COc1cccc([C@@H]([NH3+])C(C)(C)c2ccccc2)c1 ZINC000062773206 524097235 /nfs/dbraw/zinc/09/72/35/524097235.db2.gz HNZYVTRYPZDNQR-MRXNPFEDSA-N 1 0 255.361 3.673 10 0 CHAERO Cc1ccc2sc(CC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000050927844 524100889 /nfs/dbraw/zinc/10/08/89/524100889.db2.gz RPQNTKFRBGBHBZ-GFCCVEGCSA-N 1 0 260.406 3.679 10 0 CHAERO C[C@H](CCC[NH2+]C(C)(C)C)n1cnc2ccccc21 ZINC000052576410 524143388 /nfs/dbraw/zinc/14/33/88/524143388.db2.gz OKNWKYFUGOFEQY-CYBMUJFWSA-N 1 0 259.397 3.766 10 0 CHAERO COc1ccc(Cl)cc1[C@@H]1CCCCC[C@H]1[NH3+] ZINC000055231192 524254941 /nfs/dbraw/zinc/25/49/41/524254941.db2.gz VTPHBYPUGXZKOM-WCQYABFASA-N 1 0 253.773 3.724 10 0 CHAERO Cc1cc(C)c(C[C@H]([NH3+])c2ccccc2F)c(C)c1 ZINC000062774565 524274131 /nfs/dbraw/zinc/27/41/31/524274131.db2.gz CAIHXJYCQVWNIC-KRWDZBQOSA-N 1 0 257.352 3.993 10 0 CHAERO Cc1ccc(CC[C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000052945982 524349794 /nfs/dbraw/zinc/34/97/94/524349794.db2.gz NHWZLJCCFZXNEJ-KRWDZBQOSA-N 1 0 257.352 3.637 10 0 CHAERO C[C@@H]1CCC[C@H](OCC[NH2+]CC2CCCCC2)C1 ZINC000053569171 524412037 /nfs/dbraw/zinc/41/20/37/524412037.db2.gz UJHLGNLIXMLMAH-ZBFHGGJFSA-N 1 0 253.430 3.752 10 0 CHAERO C[C@H]1CN(Cc2ccc(Cl)cc2Cl)C(C)(C)C[NH2+]1 ZINC000062673238 524616608 /nfs/dbraw/zinc/61/66/08/524616608.db2.gz JQPPBTLKMFPMRT-JTQLQIEISA-N 1 0 287.234 3.566 10 0 CHAERO Cc1ccc(COc2cc(F)ccc2[C@H](C)[NH3+])cc1 ZINC000062745873 524628239 /nfs/dbraw/zinc/62/82/39/524628239.db2.gz XWMVIYVKLYLFDQ-LBPRGKRZSA-N 1 0 259.324 3.733 10 0 CHAERO Cc1cc(C[NH2+][C@H](C)c2ccccc2F)c(C)n1C ZINC000052790307 524778859 /nfs/dbraw/zinc/77/88/59/524778859.db2.gz HALYLOKRKLLGHC-GFCCVEGCSA-N 1 0 260.356 3.632 10 0 CHAERO Cc1ccc(F)c([C@@H]([NH3+])c2ccc(F)cc2Cl)c1 ZINC000061846308 524834862 /nfs/dbraw/zinc/83/48/62/524834862.db2.gz ONIUXNIDIMYAIG-AWEZNQCLSA-N 1 0 267.706 3.975 10 0 CHAERO Cc1cc(Cl)cc(C)c1Oc1ccnc(C[NH3+])c1 ZINC000051545641 524860588 /nfs/dbraw/zinc/86/05/88/524860588.db2.gz YQWNHRWWCVOGIC-UHFFFAOYSA-N 1 0 262.740 3.603 10 0 CHAERO C[C@H]([NH3+])c1ccc(OCC2CCCCC2)c(F)c1 ZINC000052154839 524865985 /nfs/dbraw/zinc/86/59/85/524865985.db2.gz SNJDNQRQQYHJLV-NSHDSACASA-N 1 0 251.345 3.805 10 0 CHAERO Cc1ccc(F)cc1[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785960 524873748 /nfs/dbraw/zinc/87/37/48/524873748.db2.gz DFTPCKSJXZRKCY-CQSZACIVSA-N 1 0 267.706 3.975 10 0 CHAERO Cc1ccc(N(C)CCC[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000050954200 524885677 /nfs/dbraw/zinc/88/56/77/524885677.db2.gz OOHNEWMDARPZAO-MRXNPFEDSA-N 1 0 260.425 3.662 10 0 CHAERO Cc1cccc2c1ccn2CC[NH2+]C1CCCCC1 ZINC000053528936 524964364 /nfs/dbraw/zinc/96/43/64/524964364.db2.gz UCWAJWIWGAFHIP-UHFFFAOYSA-N 1 0 256.393 3.872 10 0 CHAERO Cc1ccc(N2CC[C@@H](C[NH2+]C(C)(C)C)C2)cc1Cl ZINC000053010797 524971032 /nfs/dbraw/zinc/97/10/32/524971032.db2.gz GBEBUGORVDMQNN-ZDUSSCGKSA-N 1 0 280.843 3.863 10 0 CHAERO Cc1cc(F)ccc1[C@@H](CN)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000050579146 525002316 /nfs/dbraw/zinc/00/23/16/525002316.db2.gz SFDQQLDNHBVUMC-SWLSCSKDSA-N 1 0 266.404 3.500 10 0 CHAERO Cc1cc(F)ccc1[C@@H]1CC[NH2+][C@@H]1c1ccccc1 ZINC000054684007 525005163 /nfs/dbraw/zinc/00/51/63/525005163.db2.gz IVECJNWWTWCPOO-DLBZAZTESA-N 1 0 255.336 3.952 10 0 CHAERO Cc1ccccc1-c1ncc(C[NH2+]CC(C)C)s1 ZINC000052331584 525012376 /nfs/dbraw/zinc/01/23/76/525012376.db2.gz ZGYVSXQYHQLUOT-UHFFFAOYSA-N 1 0 260.406 3.864 10 0 CHAERO Cc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000050941052 525039439 /nfs/dbraw/zinc/03/94/39/525039439.db2.gz ZGRVYGGJIXUUNJ-GFCCVEGCSA-N 1 0 280.799 3.509 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)cc1 ZINC000120422612 525164519 /nfs/dbraw/zinc/16/45/19/525164519.db2.gz OCSLBUJUMZWSSH-DNVCBOLYSA-N 1 0 298.430 3.649 10 0 CHAERO Cc1ccc(NCC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC000052205165 525278541 /nfs/dbraw/zinc/27/85/41/525278541.db2.gz BXQVVSAQOYEWFD-AWEZNQCLSA-N 1 0 266.816 3.935 10 0 CHAERO Cc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)C(C)C)n1 ZINC000103341213 525351963 /nfs/dbraw/zinc/35/19/63/525351963.db2.gz LHRKZPJCOYOWOV-QGZVFWFLSA-N 1 0 270.376 3.583 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cc(C)sc2C)cc1F ZINC000061668839 525363630 /nfs/dbraw/zinc/36/36/30/525363630.db2.gz YNSXSVKSHIJVCN-AWEZNQCLSA-N 1 0 265.353 3.561 10 0 CHAERO Cc1ccccc1[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000068255717 525414204 /nfs/dbraw/zinc/41/42/04/525414204.db2.gz DLSKJXPGPNQGSX-HNNXBMFYSA-N 1 0 296.414 3.548 10 0 CHAERO Cc1ccccc1[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155499883 525415515 /nfs/dbraw/zinc/41/55/15/525415515.db2.gz SKQFKUXNDMXYSI-HNNXBMFYSA-N 1 0 296.414 3.548 10 0 CHAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncccc1C ZINC000071338911 525523220 /nfs/dbraw/zinc/52/32/20/525523220.db2.gz SABJSFOJOJSWBI-QGZVFWFLSA-N 1 0 282.387 3.566 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccccc1Cl ZINC000049508659 525634229 /nfs/dbraw/zinc/63/42/29/525634229.db2.gz QKHACGMJYRFGAE-DFBGVHRSSA-N 1 0 267.800 3.684 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1N(C)C ZINC000093941407 525648273 /nfs/dbraw/zinc/64/82/73/525648273.db2.gz UZSMGJKWZSZAAD-RHSMWYFYSA-N 1 0 296.414 3.927 10 0 CHAERO Cc1ccc([C@@H]2CC[NH2+][C@H]2Cc2ccccc2)cc1 ZINC000054686589 525830827 /nfs/dbraw/zinc/83/08/27/525830827.db2.gz GJXBVHMYDBOODU-ROUUACIJSA-N 1 0 251.373 3.683 10 0 CHAERO Cc1ccc([C@H](C)n2c(C)[nH+]c3cc(N)ccc32)s1 ZINC000052855236 525951530 /nfs/dbraw/zinc/95/15/30/525951530.db2.gz RPXHWYWPHZWATH-JTQLQIEISA-N 1 0 271.389 3.906 10 0 CHAERO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccncc2)o1 ZINC000130957532 525995810 /nfs/dbraw/zinc/99/58/10/525995810.db2.gz HGKCCADEZMEXSX-OAHLLOKOSA-N 1 0 256.349 3.710 10 0 CHAERO C[C@@H](c1ccsc1)N1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000061363898 526155754 /nfs/dbraw/zinc/15/57/54/526155754.db2.gz DOIMAWXRLBBSEN-QWHCGFSZSA-N 1 0 266.454 3.519 10 0 CHAERO C[C@H](c1nc(-c2cccs2)no1)[C@H]([NH3+])c1ccccc1 ZINC000157947884 526171609 /nfs/dbraw/zinc/17/16/09/526171609.db2.gz DQJCONKCPQHIAK-GWCFXTLKSA-N 1 0 285.372 3.602 10 0 CHAERO Cc1nn([C@@H](C)CCC[NH2+]CC(C)C)c(C)c1Cl ZINC000052573938 526301854 /nfs/dbraw/zinc/30/18/54/526301854.db2.gz ULGXLFRYVYTZBC-NSHDSACASA-N 1 0 271.836 3.740 10 0 CHAERO Fc1ccc(-c2ccccc2F)cc1C[NH2+]C1CC1 ZINC000052887801 526314213 /nfs/dbraw/zinc/31/42/13/526314213.db2.gz DPXXVLKSNMARPH-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO NC(=[NH2+])c1cc(Cl)ccc1Oc1ccc(F)cc1F ZINC000052860311 526820414 /nfs/dbraw/zinc/82/04/14/526820414.db2.gz GASQURWSCVQWQQ-UHFFFAOYSA-N 1 0 282.677 3.695 10 0 CHAERO Cc1ncc(C[NH2+][C@H](CC(C)C)c2ccccc2)[nH]1 ZINC000054821913 526894916 /nfs/dbraw/zinc/89/49/16/526894916.db2.gz NGCNGLFWMAYFHS-MRXNPFEDSA-N 1 0 257.381 3.595 10 0 CHAERO [NH3+]C[C@H](Nc1cccc(F)c1)c1c(F)cccc1Cl ZINC000057590833 527229128 /nfs/dbraw/zinc/22/91/28/527229128.db2.gz KPOXGFAYWJCINA-ZDUSSCGKSA-N 1 0 282.721 3.730 10 0 CHAERO [NH3+]Cc1ccc(Cl)cc1N1CCC[C@H]2CCCC[C@@H]21 ZINC000062786860 527253144 /nfs/dbraw/zinc/25/31/44/527253144.db2.gz YURYBQYFXSQFEA-DOMZBBRYSA-N 1 0 278.827 3.958 10 0 CHAERO [NH3+]Cc1cccc(-c2csc(C3CCCC3)n2)c1 ZINC000062938427 527258567 /nfs/dbraw/zinc/25/85/67/527258567.db2.gz JSFOGGVWWDLVLK-UHFFFAOYSA-N 1 0 258.390 3.926 10 0 CHAERO [NH3+]Cc1occc1COc1ccc(Cl)cc1Cl ZINC000052674806 527268891 /nfs/dbraw/zinc/26/88/91/527268891.db2.gz GBDPXAZRVCMURI-UHFFFAOYSA-N 1 0 272.131 3.624 10 0 CHAERO [NH3+][C@@H](Cc1cc(F)ccc1F)c1ccccc1Cl ZINC000050438770 527335120 /nfs/dbraw/zinc/33/51/20/527335120.db2.gz KLRCNKCTJPMIHA-AWEZNQCLSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@@H](Cc1cccc(F)c1F)c1ccc(F)c(Cl)c1 ZINC000062792255 527335999 /nfs/dbraw/zinc/33/59/99/527335999.db2.gz LHHHCLFXXLAOJK-ZDUSSCGKSA-N 1 0 285.696 4.000 10 0 CHAERO [NH3+][C@@H](Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000053829970 527336220 /nfs/dbraw/zinc/33/62/20/527336220.db2.gz KIXDNMHTUMTSRJ-ZDUSSCGKSA-N 1 0 273.298 3.645 10 0 CHAERO [NH3+][C@H]1CCCc2nc(C3(c4ccccc4)CC3)sc21 ZINC000062781998 527409847 /nfs/dbraw/zinc/40/98/47/527409847.db2.gz PHSJZKWKIHRKOG-LBPRGKRZSA-N 1 0 270.401 3.559 10 0 CHAERO CCC1CCC([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000330268140 527858812 /nfs/dbraw/zinc/85/88/12/527858812.db2.gz QZEOQRMDSIFVEF-AVVWSFFYSA-N 1 0 290.455 3.985 10 0 CHAERO CC[C@H]1CN(c2cccc(C(C)C)c2)[C@@H](CC)C[NH2+]1 ZINC000083441580 536161672 /nfs/dbraw/zinc/16/16/72/536161672.db2.gz NVIBOQFAAZZDOM-HOTGVXAUSA-N 1 0 260.425 3.777 10 0 CHAERO CC(C)n1cc(C(F)F)c(-c2ccc(C[NH3+])s2)n1 ZINC000725271073 567924559 /nfs/dbraw/zinc/92/45/59/567924559.db2.gz WJTOHNVCZYMQBQ-UHFFFAOYSA-N 1 0 271.336 3.589 10 0 CHAERO CCC(C)(C)C1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244003 570255458 /nfs/dbraw/zinc/25/54/58/570255458.db2.gz CMJKUPIYGDJROX-UHFFFAOYSA-N 1 0 283.456 3.900 10 0 CHAERO CC(C)c1ccccc1C[N@H+](CCO)Cc1ccccc1 ZINC000675074980 567024688 /nfs/dbraw/zinc/02/46/88/567024688.db2.gz DXNNWHOQDCJZQY-UHFFFAOYSA-N 1 0 283.415 3.805 10 0 CHAERO Cc1cc(-c2cc(N)c(C)c(C(F)(F)F)c2)cc(N)[nH+]1 ZINC000675080984 567027780 /nfs/dbraw/zinc/02/77/80/567027780.db2.gz YSNSQFIKXNUAKA-UHFFFAOYSA-N 1 0 281.281 3.549 10 0 CHAERO C[NH+](C)CC[C@H]1Cc2ccccc2Cc2ccccc21 ZINC000048524618 567091157 /nfs/dbraw/zinc/09/11/57/567091157.db2.gz UUVYXOYMQJPGNB-SFHVURJKSA-N 1 0 265.400 3.869 10 0 CHAERO C[NH+](C)[C@]1(C)CC=C(c2cccc(C=O)c2F)CC1 ZINC000725256813 567219647 /nfs/dbraw/zinc/21/96/47/567219647.db2.gz ZGIDKHVFKDKNQR-MRXNPFEDSA-N 1 0 261.340 3.526 10 0 CHAERO CC(C)CC[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000057353279 567894998 /nfs/dbraw/zinc/89/49/98/567894998.db2.gz RASSHGZHICCTEU-UHFFFAOYSA-N 1 0 286.423 3.662 10 0 CHAERO CC[C@@H](C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000068590950 567901078 /nfs/dbraw/zinc/90/10/78/567901078.db2.gz PFYRCLBCOBRGKN-KFWWJZLASA-N 1 0 298.471 3.706 10 0 CHAERO C[C@@H]([NH3+])c1ccc(-c2cc(Cl)cnc2F)cc1 ZINC000725241232 567907965 /nfs/dbraw/zinc/90/79/65/567907965.db2.gz DTBQYFQEAUPPEP-MRVPVSSYSA-N 1 0 250.704 3.561 10 0 CHAERO C1=CC[NH+](Cc2cnc(-c3ccc4ccccc4c3)nc2)C1 ZINC000101168083 567914645 /nfs/dbraw/zinc/91/46/45/567914645.db2.gz ZCAPMTVUDONNCJ-UHFFFAOYSA-N 1 0 287.366 3.669 10 0 CHAERO C=C(OCC)c1ccc(Cl)c(C[NH2+]C2CC2)c1 ZINC000725268158 567924220 /nfs/dbraw/zinc/92/42/20/567924220.db2.gz GOJXAZIVUYVSAO-UHFFFAOYSA-N 1 0 251.757 3.599 10 0 CHAERO [NH3+][C@H](CC1CC1)c1cc2ccc(Br)cc2o1 ZINC000675080345 570368746 /nfs/dbraw/zinc/36/87/46/570368746.db2.gz CGNBCERSLIZMCV-LLVKDONJSA-N 1 0 280.165 3.995 10 0 CHAERO C[NH2+][C@H](C)c1ccc(OCc2ccccc2)c(F)c1 ZINC000034842235 570410826 /nfs/dbraw/zinc/41/08/26/570410826.db2.gz DQYVFQOOITXJBG-GFCCVEGCSA-N 1 0 259.324 3.685 10 0 CHAERO c1csc(C2=CC[N@H+](C[C@H]3CCC=CO3)CC2)c1 ZINC000193983708 1125551548 /nfs/dbraw/zinc/55/15/48/1125551548.db2.gz TYWMYTNPWFWSGH-CQSZACIVSA-N 1 0 261.390 3.530 10 0 CHAERO Clc1cc(C[N@@H+]2CCCC23CCC3)c2c(c1)COCO2 ZINC000365636357 1127736632 /nfs/dbraw/zinc/73/66/32/1127736632.db2.gz JHHCFEYSNVFQBL-UHFFFAOYSA-N 1 0 293.794 3.725 10 0 CHAERO CCCC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)cc1 ZINC000367712430 1118057034 /nfs/dbraw/zinc/05/70/34/1118057034.db2.gz JYQZJZKPAODBMD-NXOAAHMSSA-N 1 0 277.383 3.539 10 0 CHAERO CC(C)(C)/C=C\C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000588595355 1119503989 /nfs/dbraw/zinc/50/39/89/1119503989.db2.gz AWORPNCGKLYYKT-MQNTZWLQSA-N 1 0 296.414 3.558 10 0 CHAERO CC[N@H+](CC(C)C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726374 1119713162 /nfs/dbraw/zinc/71/31/62/1119713162.db2.gz JTHOAFLAKBGPFC-CYBMUJFWSA-N 1 0 273.380 3.776 10 0 CHAERO c1ccc2oc(C3CC[NH+](C4CCC4)CC3)nc2c1 ZINC000179553165 1125285546 /nfs/dbraw/zinc/28/55/46/1125285546.db2.gz VAANWQUHZAYGCE-UHFFFAOYSA-N 1 0 256.349 3.560 10 0 CHAERO Cc1nc(-c2ccc(Cl)c(Cl)c2)sc1C[NH3+] ZINC000082421359 177993628 /nfs/dbraw/zinc/99/36/28/177993628.db2.gz OVAMWPICWBQIRG-UHFFFAOYSA-N 1 0 273.188 3.884 10 0 CHAERO CCCc1nc(-c2ccccc2OCC)sc1C[NH2+]C ZINC000082428350 178004403 /nfs/dbraw/zinc/00/44/03/178004403.db2.gz NXIJCBGTURXHJS-UHFFFAOYSA-N 1 0 290.432 3.881 10 0 CHAERO C[NH2+]Cc1sc(CCc2ccccc2)nc1C(C)C ZINC000082435001 178012436 /nfs/dbraw/zinc/01/24/36/178012436.db2.gz IUIFEQCGWNRKCY-UHFFFAOYSA-N 1 0 274.433 3.771 10 0 CHAERO CCC[NH2+]Cc1sc(CSC)nc1C(C)(C)C ZINC000082439593 178017868 /nfs/dbraw/zinc/01/78/68/178017868.db2.gz DUMITERWEQGOSP-UHFFFAOYSA-N 1 0 272.483 3.803 10 0 CHAERO COc1ccccc1-c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000082441457 178021350 /nfs/dbraw/zinc/02/13/50/178021350.db2.gz AJINJBHYOOBAOU-UHFFFAOYSA-N 1 0 276.405 3.575 10 0 CHAERO C[NH2+][C@H]1CC(C)(C)Oc2c(Cl)cc(Cl)cc21 ZINC000082505658 178069815 /nfs/dbraw/zinc/06/98/15/178069815.db2.gz SBKCQYNQCMNMLD-JTQLQIEISA-N 1 0 260.164 3.815 10 0 CHAERO [NH3+]CC1(c2cc(Br)cs2)CCCCC1 ZINC000082624736 178139771 /nfs/dbraw/zinc/13/97/71/178139771.db2.gz WRJDKOBTNXQQRD-UHFFFAOYSA-N 1 0 274.227 3.671 10 0 CHAERO Fc1cccc(Cl)c1-c1cnc(C[NH2+]C2CC2)s1 ZINC000083239920 178366559 /nfs/dbraw/zinc/36/65/59/178366559.db2.gz ZNONDDMSVHRVMV-UHFFFAOYSA-N 1 0 282.771 3.855 10 0 CHAERO Cc1c(CCCC[NH2+]C(C)C)c2ccccc2n1C ZINC000098130455 185690993 /nfs/dbraw/zinc/69/09/93/185690993.db2.gz XVHGHPNJRPJRPN-UHFFFAOYSA-N 1 0 258.409 3.807 10 0 CHAERO CCOc1ccc(C[C@@H]([NH2+]C)C(C)C)cc1Cl ZINC000098130233 185691118 /nfs/dbraw/zinc/69/11/18/185691118.db2.gz VISJOSGUOAUHGU-CYBMUJFWSA-N 1 0 255.789 3.525 10 0 CHAERO CCc1cccc2c(CCC[NH2+]C(C)C)c(C)[nH]c21 ZINC000098160057 185694801 /nfs/dbraw/zinc/69/48/01/185694801.db2.gz QYKMHGRIORZUBU-UHFFFAOYSA-N 1 0 258.409 3.969 10 0 CHAERO CCc1ccc2c(c1)c(CCC[NH2+]C(C)C)cn2C ZINC000098160048 185694839 /nfs/dbraw/zinc/69/48/39/185694839.db2.gz CDCBADYZUHSMBW-UHFFFAOYSA-N 1 0 258.409 3.671 10 0 CHAERO CC(C)CC[C@H](C)[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000104018455 185883408 /nfs/dbraw/zinc/88/34/08/185883408.db2.gz XFICBIICCNWZFH-HRCADAONSA-N 1 0 255.446 3.996 10 0 CHAERO CC[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@@H](C)CC ZINC000104205281 185931443 /nfs/dbraw/zinc/93/14/43/185931443.db2.gz RFNMCMPAXLMRAX-SMDDNHRTSA-N 1 0 269.816 3.915 10 0 CHAERO [NH2+]=C1CCCN1c1ccc(C(F)(F)F)cc1Cl ZINC000104232347 185937976 /nfs/dbraw/zinc/93/79/76/185937976.db2.gz PVMZWLHBOHESBU-UHFFFAOYSA-N 1 0 262.662 3.936 10 0 CHAERO CCC[NH2+][C@H](CCc1csc2ccccc12)COC ZINC000104223512 185935513 /nfs/dbraw/zinc/93/55/13/185935513.db2.gz GEHUHCIEMOSMGE-CQSZACIVSA-N 1 0 277.433 3.849 10 0 CHAERO CCc1cccc(Oc2ccccc2C[C@@H](C)[NH3+])c1 ZINC000104284257 185955576 /nfs/dbraw/zinc/95/55/76/185955576.db2.gz MXNSYJWUCPKJMA-CYBMUJFWSA-N 1 0 255.361 3.931 10 0 CHAERO [NH3+]CCc1ccc(Sc2ccccc2Cl)cc1 ZINC000104294964 185957645 /nfs/dbraw/zinc/95/76/45/185957645.db2.gz LVNGVFNKMHJAJE-UHFFFAOYSA-N 1 0 263.793 3.992 10 0 CHAERO CSc1ccccc1OCc1ccc(F)cc1C[NH3+] ZINC000104341483 185975963 /nfs/dbraw/zinc/97/59/63/185975963.db2.gz OISIDZUABGDJQZ-UHFFFAOYSA-N 1 0 277.364 3.585 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1OC)C[C@H](C)C(C)(C)C ZINC000104435612 186001005 /nfs/dbraw/zinc/00/10/05/186001005.db2.gz AOOQSOJCCXPRBN-DZGCQCFKSA-N 1 0 263.425 3.898 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](SCCCOC)c1cccc(C)c1 ZINC000104439376 186001962 /nfs/dbraw/zinc/00/19/62/186001962.db2.gz IHWXMEHPAQOSEJ-CABCVRRESA-N 1 0 267.438 3.543 10 0 CHAERO CC[C@H]([NH3+])[C@@H](SCCCOC)c1cccc(C)c1 ZINC000104439373 186002210 /nfs/dbraw/zinc/00/22/10/186002210.db2.gz IHWXMEHPAQOSEJ-GJZGRUSLSA-N 1 0 267.438 3.543 10 0 CHAERO O[C@@]1([C@@H]2CCCC[NH2+]2)C[C@H](c2ccccc2)c2ccccc21 ZINC000090697962 180026682 /nfs/dbraw/zinc/02/66/82/180026682.db2.gz BVCSKXTWXLPCHL-HOJAQTOUSA-N 1 0 293.410 3.552 10 0 CHAERO Cc1ccc([C@H](C)[NH3+])c(OCc2cccc(F)c2)c1 ZINC000110958493 186336315 /nfs/dbraw/zinc/33/63/15/186336315.db2.gz LPELEDMLYXJUNM-LBPRGKRZSA-N 1 0 259.324 3.733 10 0 CHAERO CC(C)c1cccc(OCc2ccc(C[NH3+])cc2)c1 ZINC000011945522 170460221 /nfs/dbraw/zinc/46/02/21/170460221.db2.gz QYGOLKBJAYVHIA-UHFFFAOYSA-N 1 0 255.361 3.848 10 0 CHAERO Clc1cccc(N2CCC3(CC[NH2+]CC3)CC2)c1Cl ZINC000034774902 134515306 /nfs/dbraw/zinc/51/53/06/134515306.db2.gz DPDHRMKSTVQDLK-UHFFFAOYSA-N 1 0 299.245 3.963 10 0 CHAERO CCCCc1ccc(N2C[C@@H](CC)[NH2+]C[C@@H]2C)cc1 ZINC000083441447 135021513 /nfs/dbraw/zinc/02/15/13/135021513.db2.gz HUCCHVYQTMLJME-GOEBONIOSA-N 1 0 260.425 3.606 10 0 CHAERO CC[C@@H]1CN(c2ccc(C)c(Cl)c2)[C@H](CC)C[NH2+]1 ZINC000083493747 135024531 /nfs/dbraw/zinc/02/45/31/135024531.db2.gz SXVNMPBGAJIFLW-CHWSQXEVSA-N 1 0 266.816 3.615 10 0 CHAERO CC(C)[C@@H]1CN(c2ccccc2C(C)(C)C)[C@@H](C)C[NH2+]1 ZINC000083541857 135028099 /nfs/dbraw/zinc/02/80/99/135028099.db2.gz CSMRJVLEJJMJRA-HOCLYGCPSA-N 1 0 274.452 3.807 10 0 CHAERO Cc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1C ZINC000083542092 135028738 /nfs/dbraw/zinc/02/87/38/135028738.db2.gz OYKJSYIAXWMJRN-ZWKOTPCHSA-N 1 0 274.452 3.762 10 0 CHAERO Cc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1F ZINC000083587410 135030186 /nfs/dbraw/zinc/03/01/86/135030186.db2.gz ZHRODINNALUEBF-DLBZAZTESA-N 1 0 278.415 3.593 10 0 CHAERO CC(C)c1cc([C@H](O)[C@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000001729579 169751739 /nfs/dbraw/zinc/75/17/39/169751739.db2.gz WYJRQLADADGDKV-AEFFLSMTSA-N 1 0 284.403 3.534 10 0 CHAERO C[C@H](C[NH+]1CCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000003634187 169904695 /nfs/dbraw/zinc/90/46/95/169904695.db2.gz XVAIJJSJCGMFMJ-QGZVFWFLSA-N 1 0 295.426 3.654 10 0 CHAERO C[N+]1=C(c2ccccc2)C(C)(C)C(c2ccccc2)=N1 ZINC000005302391 170084413 /nfs/dbraw/zinc/08/44/13/170084413.db2.gz LQKIWGFXNBCRAV-UHFFFAOYSA-N 1 0 263.364 3.562 10 0 CHAERO CC[C@@H](O)C(C[C@@H](C)[NH2+]C)(c1ccccc1)c1ccccc1 ZINC000005924344 170155861 /nfs/dbraw/zinc/15/58/61/170155861.db2.gz KYHAUJGXNUJCTC-VQIMIIECSA-N 1 0 297.442 3.742 10 0 CHAERO COc1ccc(Sc2ccccc2C[C@H](C)[NH3+])cc1 ZINC000006850850 170248884 /nfs/dbraw/zinc/24/88/84/170248884.db2.gz ISXLDFSBTXFGFM-LBPRGKRZSA-N 1 0 273.401 3.736 10 0 CHAERO O=C(C[NH2+]C1CCCCCCC1)Nc1c(F)cccc1F ZINC000008131076 170319912 /nfs/dbraw/zinc/31/99/12/170319912.db2.gz TXMCRGJNGAMSDD-UHFFFAOYSA-N 1 0 296.361 3.606 10 0 CHAERO CCOc1cccc([C@H]([NH3+])Cc2ccc(CC)cc2)c1 ZINC000011603117 170425977 /nfs/dbraw/zinc/42/59/77/170425977.db2.gz LWDQYNKHAJEFEN-GOSISDBHSA-N 1 0 269.388 3.890 10 0 CHAERO C[C@H](C[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000011883600 170451147 /nfs/dbraw/zinc/45/11/47/170451147.db2.gz ZVSHGMVKBKPWRQ-MRVPVSSYSA-N 1 0 297.221 3.635 10 0 CHAERO Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)cc1C ZINC000019274355 170768471 /nfs/dbraw/zinc/76/84/71/170768471.db2.gz JVJCLTQRZOOCPS-CYBMUJFWSA-N 1 0 268.360 3.575 10 0 CHAERO [NH3+]Cc1ccc(F)c(CO[C@H]2CCCc3ccccc32)c1 ZINC000019401268 170785091 /nfs/dbraw/zinc/78/50/91/170785091.db2.gz QEBRGEOTNCVFCF-SFHVURJKSA-N 1 0 285.362 3.879 10 0 CHAERO Cc1cc(Cl)cc(C)c1OCc1cccc(C(N)=[NH2+])c1 ZINC000019808771 170877605 /nfs/dbraw/zinc/87/76/05/170877605.db2.gz PMGCKIROIIZGOL-UHFFFAOYSA-N 1 0 288.778 3.820 10 0 CHAERO [NH3+]CCc1nc(Cc2ccccc2)c(-c2ccccc2)s1 ZINC000019809433 170878227 /nfs/dbraw/zinc/87/82/27/170878227.db2.gz LKIURSJDQIFRII-UHFFFAOYSA-N 1 0 294.423 3.902 10 0 CHAERO C[C@@H]([NH3+])c1ccc(O[C@H](C)c2ccccc2)c(F)c1 ZINC000019873199 170902732 /nfs/dbraw/zinc/90/27/32/170902732.db2.gz QFKJDTFCTAVDCH-VXGBXAGGSA-N 1 0 259.324 3.985 10 0 CHAERO Cc1cc2ncn(-c3cccc(F)c3[C@@H](C)[NH3+])c2cc1C ZINC000019872863 170902826 /nfs/dbraw/zinc/90/28/26/170902826.db2.gz XETRMQGFHGCIJI-GFCCVEGCSA-N 1 0 283.350 3.801 10 0 CHAERO CC(=O)Nc1ccc(Sc2ccccc2[C@@H](C)[NH3+])cc1 ZINC000019874050 170903832 /nfs/dbraw/zinc/90/38/32/170903832.db2.gz XQVHPGCQTCVEIB-LLVKDONJSA-N 1 0 286.400 3.816 10 0 CHAERO CC(C)[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000019909790 170921198 /nfs/dbraw/zinc/92/11/98/170921198.db2.gz AGYCAJBPZDGKPI-UHFFFAOYSA-N 1 0 286.341 3.990 10 0 CHAERO COc1ccc(C[C@H]([NH3+])c2c(C)cc(C)cc2C)cc1 ZINC000019968635 170950871 /nfs/dbraw/zinc/95/08/71/170950871.db2.gz JXRSYUQEZZSYEC-KRWDZBQOSA-N 1 0 269.388 3.863 10 0 CHAERO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)ccc1O ZINC000020121857 171001053 /nfs/dbraw/zinc/00/10/53/171001053.db2.gz ZJKBWXPGSGLREZ-NSHDSACASA-N 1 0 291.778 3.905 10 0 CHAERO COc1cc(C[NH2+][C@H](C)c2ccccc2C)ccc1O ZINC000020126085 171009475 /nfs/dbraw/zinc/00/94/75/171009475.db2.gz RKSQIMJYBZLYFP-CYBMUJFWSA-N 1 0 271.360 3.560 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(O)cc1 ZINC000020129729 171017980 /nfs/dbraw/zinc/01/79/80/171017980.db2.gz DWPXNPBSEQWLFF-YVEFUNNKSA-N 1 0 253.345 3.730 10 0 CHAERO c1ccc2sc(C[NH2+]C[C@@H]3CC=CCC3)nc2c1 ZINC000020136379 171023574 /nfs/dbraw/zinc/02/35/74/171023574.db2.gz XCUHBQGHNIYUGP-GFCCVEGCSA-N 1 0 258.390 3.742 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccncc2)c(C)c1 ZINC000020140063 171026933 /nfs/dbraw/zinc/02/69/33/171026933.db2.gz LTIPMVFBFQWIBB-HNNXBMFYSA-N 1 0 254.377 3.858 10 0 CHAERO c1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccncc1 ZINC000020139780 171026964 /nfs/dbraw/zinc/02/69/64/171026964.db2.gz NZHHXHKANWDIQI-QGZVFWFLSA-N 1 0 252.361 3.639 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccncc2)cc1C ZINC000020140429 171027144 /nfs/dbraw/zinc/02/71/44/171027144.db2.gz SVGOQGPTDDOILX-HNNXBMFYSA-N 1 0 254.377 3.858 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cccs1 ZINC000020148526 171036779 /nfs/dbraw/zinc/03/67/79/171036779.db2.gz XRNQOIVNCRRYBN-YPMHNXCESA-N 1 0 259.374 3.923 10 0 CHAERO [NH3+][C@@H]1CCCc2c3cc(Cl)cc(Cl)c3[nH]c21 ZINC000020217071 171078835 /nfs/dbraw/zinc/07/88/35/171078835.db2.gz NFOUGTFNRFNCTA-SNVBAGLBSA-N 1 0 255.148 3.811 10 0 CHAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2ccc(Cl)cc2)cc1 ZINC000020225556 171088580 /nfs/dbraw/zinc/08/85/80/171088580.db2.gz SYJFHEGWBSQZBB-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225948 171089378 /nfs/dbraw/zinc/08/93/78/171089378.db2.gz NLRXISPTBKCXTQ-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO C[C@@H]([NH3+])c1ccc(OCc2ccc3ncccc3c2)cc1 ZINC000020247934 171100662 /nfs/dbraw/zinc/10/06/62/171100662.db2.gz BGIRUUYJAYHVBZ-CYBMUJFWSA-N 1 0 278.355 3.834 10 0 CHAERO CC[C@@H](Oc1cccc(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000020262680 171120783 /nfs/dbraw/zinc/12/07/83/171120783.db2.gz GTAPERSFEWYTTF-HZPDHXFCSA-N 1 0 259.324 3.683 10 0 CHAERO CC[C@H](Oc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000020262610 171120868 /nfs/dbraw/zinc/12/08/68/171120868.db2.gz AZLYHJHNHQPQAE-JKSUJKDBSA-N 1 0 259.324 3.683 10 0 CHAERO CCCCCC[C@](C)(C[NH3+])N(C)Cc1ccccc1 ZINC000020362580 171161844 /nfs/dbraw/zinc/16/18/44/171161844.db2.gz OQWFSALBLZPMIG-QGZVFWFLSA-N 1 0 262.441 3.806 10 0 CHAERO [NH3+][C@H](Cc1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000020384474 171175061 /nfs/dbraw/zinc/17/50/61/171175061.db2.gz JQPKZZIOZDLAML-QGZVFWFLSA-N 1 0 255.336 3.557 10 0 CHAERO [NH3+][C@H](c1ccc2c(c1)CCC2)c1ccccc1Cl ZINC000020384734 171175405 /nfs/dbraw/zinc/17/54/05/171175405.db2.gz ZTMFMXIKTHXQQX-MRXNPFEDSA-N 1 0 257.764 3.877 10 0 CHAERO [NH3+][C@H](CCC1CCCC1)Cc1nc2ccccc2o1 ZINC000020427951 171193205 /nfs/dbraw/zinc/19/32/05/171193205.db2.gz IDAFKMURDJCQOX-CYBMUJFWSA-N 1 0 258.365 3.668 10 0 CHAERO Cc1ccc([C@H]([NH3+])Cc2nc3ccccc3s2)s1 ZINC000020428142 171193656 /nfs/dbraw/zinc/19/36/56/171193656.db2.gz NLADCRIMNICZNV-SNVBAGLBSA-N 1 0 274.414 3.909 10 0 CHAERO [NH3+]Cc1c(Cl)cccc1Oc1ccc(F)cc1F ZINC000020470156 171211714 /nfs/dbraw/zinc/21/17/14/171211714.db2.gz LLMFNWDJMXSOKO-UHFFFAOYSA-N 1 0 269.678 3.869 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)C1CCCCC1 ZINC000020485007 171224708 /nfs/dbraw/zinc/22/47/08/171224708.db2.gz DDFJJTIKWQMTON-INIZCTEOSA-N 1 0 254.462 3.796 10 0 CHAERO [NH3+]C[C@H](c1ccc(Cl)cc1)N1CCCCCCC1 ZINC000020545798 171243619 /nfs/dbraw/zinc/24/36/19/171243619.db2.gz XTJFYZDJLXLRAD-OAHLLOKOSA-N 1 0 266.816 3.606 10 0 CHAERO CC(C)[C@H]([C@@H](N)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000020546228 171244036 /nfs/dbraw/zinc/24/40/36/171244036.db2.gz GPQSLYWPUOZNAR-BHYGNILZSA-N 1 0 260.425 3.585 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2ccccc2C)c(C)c1 ZINC000020552805 171248189 /nfs/dbraw/zinc/24/81/89/171248189.db2.gz QJPNOTAYCNQMJA-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO COc1ccccc1C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000020564075 171253034 /nfs/dbraw/zinc/25/30/34/171253034.db2.gz VIZZUGXJQYZCPS-ZFWWWQNUSA-N 1 0 261.409 4.000 10 0 CHAERO CCC[C@@H]([NH2+]C[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC000020564565 171253602 /nfs/dbraw/zinc/25/36/02/171253602.db2.gz FJQQWVGIODCIIV-SJORKVTESA-N 1 0 262.441 3.704 10 0 CHAERO CC(C)c1ccc(O[C@H]2COc3ccccc3[C@@H]2[NH3+])cc1 ZINC000020566881 171254655 /nfs/dbraw/zinc/25/46/55/171254655.db2.gz KCIWEMHBWKHWOO-ROUUACIJSA-N 1 0 283.371 3.650 10 0 CHAERO COc1ccc(Br)cc1[C@H]([NH3+])CC(C)(C)C ZINC000020586731 171259536 /nfs/dbraw/zinc/25/95/36/171259536.db2.gz LFNJAWYKUMOEBT-LLVKDONJSA-N 1 0 286.213 3.894 10 0 CHAERO COc1ccc(Br)cc1[C@@H]([NH3+])CC(C)C ZINC000020586772 171259625 /nfs/dbraw/zinc/25/96/25/171259625.db2.gz QEOIVFOSWCJZHW-NSHDSACASA-N 1 0 272.186 3.504 10 0 CHAERO Cc1ccc(F)cc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595895 171264492 /nfs/dbraw/zinc/26/44/92/171264492.db2.gz OPLZCLRTNLIBKN-QGZVFWFLSA-N 1 0 284.378 3.821 10 0 CHAERO CC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000020874461 171277441 /nfs/dbraw/zinc/27/74/41/171277441.db2.gz SDKLFEGTJNOISC-UHFFFAOYSA-N 1 0 255.361 3.684 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000021011912 171287771 /nfs/dbraw/zinc/28/77/71/171287771.db2.gz CZHIKJXVAQWERM-SFHVURJKSA-N 1 0 251.373 3.808 10 0 CHAERO CC[C@@H](C)C[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000021012550 171287915 /nfs/dbraw/zinc/28/79/15/171287915.db2.gz CHXSPNUEKREPTK-NVXWUHKLSA-N 1 0 262.441 3.705 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCOCC1CC1 ZINC000021045087 171294264 /nfs/dbraw/zinc/29/42/64/171294264.db2.gz PEHFPGGUEXOGIE-OIISXLGYSA-N 1 0 267.457 3.854 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2cc(C)cc(C)c2)c(C)c1 ZINC000021047157 171294326 /nfs/dbraw/zinc/29/43/26/171294326.db2.gz TXAOZCJXLGXGBO-SFHVURJKSA-N 1 0 269.388 3.999 10 0 CHAERO CC(C)CCO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021046472 171294493 /nfs/dbraw/zinc/29/44/93/171294493.db2.gz NJPJZFVMGXMQLJ-IXDOHACOSA-N 1 0 261.409 3.713 10 0 CHAERO [NH3+][C@H](COc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000021046797 171294586 /nfs/dbraw/zinc/29/45/86/171294586.db2.gz LVECCWSMXKRGEN-RBXDXQPVSA-N 1 0 289.394 3.748 10 0 CHAERO CCc1ccc([C@@H](N)C[N@H+](C)C2CCCCC2)cc1 ZINC000021058101 171296460 /nfs/dbraw/zinc/29/64/60/171296460.db2.gz JZJAGVGZNPPOJZ-KRWDZBQOSA-N 1 0 260.425 3.513 10 0 CHAERO CC(C)[C@@H](CNCc1cccc(Cl)c1Cl)[NH+](C)C ZINC000021504506 171307220 /nfs/dbraw/zinc/30/72/20/171307220.db2.gz WZIJSHAXZVIIDW-CYBMUJFWSA-N 1 0 289.250 3.669 10 0 CHAERO Cc1ccc(OC[C@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000021516797 171313445 /nfs/dbraw/zinc/31/34/45/171313445.db2.gz UVJOONXZCRBCIN-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)N(CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC000021788806 171323414 /nfs/dbraw/zinc/32/34/14/171323414.db2.gz GTUPWGGTHRMTGK-JKSUJKDBSA-N 1 0 268.489 3.910 10 0 CHAERO CCCOc1ccccc1O[C@@H](CC)[C@@H]([NH3+])CCC ZINC000021800901 171325921 /nfs/dbraw/zinc/32/59/21/171325921.db2.gz IZYNBXIEVWLPQK-KBPBESRZSA-N 1 0 265.397 3.760 10 0 CHAERO CCc1ccc([C@H]([NH3+])CN2c3ccccc3C[C@@H]2C)cc1 ZINC000021811152 171329415 /nfs/dbraw/zinc/32/94/15/171329415.db2.gz LNXTYUKXIUMFPJ-KBXCAEBGSA-N 1 0 280.415 3.700 10 0 CHAERO CCN(c1ccccc1C)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000021812463 171329600 /nfs/dbraw/zinc/32/96/00/171329600.db2.gz DMRFSAMRLLGCRT-CRAIPNDOSA-N 1 0 268.404 3.910 10 0 CHAERO COc1ccc(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)c(OC)c1 ZINC000021815188 171332122 /nfs/dbraw/zinc/33/21/22/171332122.db2.gz PZVMXQQGVQIQNQ-XEZPLFJOSA-N 1 0 277.408 3.618 10 0 CHAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000022015185 171349583 /nfs/dbraw/zinc/34/95/83/171349583.db2.gz CADFGPVIPSNJQM-CYBMUJFWSA-N 1 0 276.380 3.501 10 0 CHAERO Oc1ccc([C@@H]([NH2+]C2CC2)c2ccc(Cl)cc2)cc1 ZINC000022173206 171368556 /nfs/dbraw/zinc/36/85/56/171368556.db2.gz IWPKYOKSFAMEFH-INIZCTEOSA-N 1 0 273.763 3.887 10 0 CHAERO Cc1cccc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c1C ZINC000022215786 171375306 /nfs/dbraw/zinc/37/53/06/171375306.db2.gz PYZWMCWHYMUXEP-CYBMUJFWSA-N 1 0 268.360 3.575 10 0 CHAERO CC[C@H](C)c1ccccc1Oc1cc(C[NH3+])ccn1 ZINC000022223057 171379281 /nfs/dbraw/zinc/37/92/81/171379281.db2.gz YCIQCZWULLXNKE-LBPRGKRZSA-N 1 0 256.349 3.846 10 0 CHAERO CC(C)[C@H](Oc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000022565846 171391711 /nfs/dbraw/zinc/39/17/11/171391711.db2.gz XHRJPHQQJCFCDK-IRXDYDNUSA-N 1 0 255.361 3.790 10 0 CHAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Oc2ccc(F)cc2F)cc1 ZINC000023072038 171411532 /nfs/dbraw/zinc/41/15/32/171411532.db2.gz BBRNIWGTNHEAAX-ZBEGNZNMSA-N 1 0 277.314 3.741 10 0 CHAERO CC[NH+](CC)CCCNc1ccc(Br)cc1 ZINC000028472624 171559871 /nfs/dbraw/zinc/55/98/71/171559871.db2.gz IJLNLEQPQWAPQV-UHFFFAOYSA-N 1 0 285.229 3.593 10 0 CHAERO Cc1sc(C[C@@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000032114941 171708288 /nfs/dbraw/zinc/70/82/88/171708288.db2.gz NWEXDSDEMPHHMI-MRVPVSSYSA-N 1 0 266.797 3.662 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2F)s1 ZINC000034671340 171857217 /nfs/dbraw/zinc/85/72/17/171857217.db2.gz XVYTUJSXYKLABC-QMMMGPOBSA-N 1 0 253.317 3.974 10 0 CHAERO CCCN(CCC)c1cccc(F)c1[C@H](C)[NH2+]C ZINC000034838347 171883163 /nfs/dbraw/zinc/88/31/63/171883163.db2.gz LJKRLHCVGRKRJG-LBPRGKRZSA-N 1 0 252.377 3.733 10 0 CHAERO C[NH+]1CCC(Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC000034956976 171902823 /nfs/dbraw/zinc/90/28/23/171902823.db2.gz HATBYZMXYRGYAZ-UHFFFAOYSA-N 1 0 292.732 3.865 10 0 CHAERO COc1cc(C[NH2+][C@@H](c2ccccc2)C(C)C)ccc1O ZINC000035015896 171932572 /nfs/dbraw/zinc/93/25/72/171932572.db2.gz TVHZVNANWGSSSY-GOSISDBHSA-N 1 0 285.387 3.888 10 0 CHAERO CCC[NH2+][C@@H](C)c1ccc(SCCOC)c(F)c1 ZINC000035058879 171961519 /nfs/dbraw/zinc/96/15/19/171961519.db2.gz YOVPBEPVYKHISC-NSHDSACASA-N 1 0 271.401 3.625 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1CCCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000035151135 172014499 /nfs/dbraw/zinc/01/44/99/172014499.db2.gz MNTFPUNTGHXTOS-JRHYKELJSA-N 1 0 277.452 3.750 10 0 CHAERO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000035161966 172022477 /nfs/dbraw/zinc/02/24/77/172022477.db2.gz DFOLOZMKFCWCGD-ZDUSSCGKSA-N 1 0 273.351 3.994 10 0 CHAERO CCCCCC[C@](C)(CN)[N@H+](C)C1CCCCC1 ZINC000035176711 172030233 /nfs/dbraw/zinc/03/02/33/172030233.db2.gz FQZAAMMOXQFKJI-MRXNPFEDSA-N 1 0 254.462 3.939 10 0 CHAERO CC[N@H+](C1CCCCC1)C1(CN)CCC(C)CC1 ZINC000035176721 172030289 /nfs/dbraw/zinc/03/02/89/172030289.db2.gz PGHXVVRAQRDNBS-UHFFFAOYSA-N 1 0 252.446 3.549 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@]1(CN)CCCc2ccccc21 ZINC000035176740 172030306 /nfs/dbraw/zinc/03/03/06/172030306.db2.gz QGBAWMJIZDCUDT-IBGZPJMESA-N 1 0 286.463 3.832 10 0 CHAERO COCCC[NH2+]Cc1cc(-c2cccs2)cs1 ZINC000035255950 172086447 /nfs/dbraw/zinc/08/64/47/172086447.db2.gz QNHQXTGAWOQPER-UHFFFAOYSA-N 1 0 267.419 3.603 10 0 CHAERO CC(C)(C)[C@@H]([NH3+])CCc1ccc(Br)cc1F ZINC000035285166 172103250 /nfs/dbraw/zinc/10/32/50/172103250.db2.gz WXIPFIJTZBCFEN-LBPRGKRZSA-N 1 0 288.204 3.894 10 0 CHAERO Cc1ccc([C@@H]([NH3+])c2ccc(Br)o2)c(C)c1 ZINC000035381015 172163186 /nfs/dbraw/zinc/16/31/86/172163186.db2.gz VZRKIWBIJNVPCS-CYBMUJFWSA-N 1 0 280.165 3.707 10 0 CHAERO Cc1cc([C@H]([NH3+])c2ccc3c(c2)CCCC3)c(C)o1 ZINC000035380809 172163653 /nfs/dbraw/zinc/16/36/53/172163653.db2.gz OEHMOFCOWBXMHZ-QGZVFWFLSA-N 1 0 255.361 3.823 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2cccs2)c2ccccc12 ZINC000035381830 172164568 /nfs/dbraw/zinc/16/45/68/172164568.db2.gz PGNJTMBFXDUWEK-MRXNPFEDSA-N 1 0 269.369 3.958 10 0 CHAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccsc1 ZINC000035381693 172164574 /nfs/dbraw/zinc/16/45/74/172164574.db2.gz RSIWTXYBVNZVLV-LBPRGKRZSA-N 1 0 298.205 3.567 10 0 CHAERO CC[C@@H](C)[C@H]([NH2+]C)c1cc(Br)ccc1OC ZINC000035456510 172206922 /nfs/dbraw/zinc/20/69/22/172206922.db2.gz ZPQFABWPICZLSM-RNCFNFMXSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccccc1OC(F)F ZINC000035458766 172207771 /nfs/dbraw/zinc/20/77/71/172207771.db2.gz CHLSPKHALMUCEL-ZDUSSCGKSA-N 1 0 283.343 3.967 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(C)c(OC)c1 ZINC000035458982 172208563 /nfs/dbraw/zinc/20/85/63/172208563.db2.gz OCLYYKGCIQCZPM-OAHLLOKOSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc2c(c1)CCC2 ZINC000035458971 172208582 /nfs/dbraw/zinc/20/85/82/172208582.db2.gz UIZRNJPYKQYHAA-INIZCTEOSA-N 1 0 257.402 3.854 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2c(F)cccc2F)s1 ZINC000035460918 172209887 /nfs/dbraw/zinc/20/98/87/172209887.db2.gz FWPYLUORBBNXRU-CQSZACIVSA-N 1 0 267.344 3.898 10 0 CHAERO CCc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C)s1 ZINC000035461013 172209995 /nfs/dbraw/zinc/20/99/95/172209995.db2.gz RGTPEJMPNAWHKD-CQSZACIVSA-N 1 0 263.381 3.953 10 0 CHAERO CCc1ccc([C@@H](Cc2ccccc2F)[NH2+]C)s1 ZINC000035461106 172210399 /nfs/dbraw/zinc/21/03/99/172210399.db2.gz FKRODVNSRFHKRF-CQSZACIVSA-N 1 0 263.381 3.953 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)cc1)c1ccc(Cl)cc1F ZINC000035465720 172213017 /nfs/dbraw/zinc/21/30/17/172213017.db2.gz FMRDTSCRIPESNB-OAHLLOKOSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)cc1)c1ccc(C)cc1C ZINC000035465919 172213134 /nfs/dbraw/zinc/21/31/34/172213134.db2.gz XFQSEIAWVXIFJV-KRWDZBQOSA-N 1 0 255.361 3.621 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000035498302 172232048 /nfs/dbraw/zinc/23/20/48/172232048.db2.gz COGWZHRBODAVJJ-GFCCVEGCSA-N 1 0 273.735 3.989 10 0 CHAERO CCC[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCCO2 ZINC000035501132 172234623 /nfs/dbraw/zinc/23/46/23/172234623.db2.gz RRUOOCAESXYBIQ-LBPRGKRZSA-N 1 0 269.772 3.562 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504380 172238113 /nfs/dbraw/zinc/23/81/13/172238113.db2.gz DIUBXBPLLQZGAH-XHDPSFHLSA-N 1 0 273.401 3.689 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(C)c1)c1ccccc1Cl ZINC000035506156 172239493 /nfs/dbraw/zinc/23/94/93/172239493.db2.gz OOFAUWCJJOFQNY-MRXNPFEDSA-N 1 0 275.779 3.966 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(CC)s1 ZINC000035537951 172244474 /nfs/dbraw/zinc/24/44/74/172244474.db2.gz VLVLOWOJAMNFQK-VIFPVBQESA-N 1 0 251.317 3.914 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@H]1C[C@@H]1C ZINC000035538713 172244956 /nfs/dbraw/zinc/24/49/56/172244956.db2.gz ALNGGZVLGRFPNY-CHIMOYNISA-N 1 0 253.773 3.655 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CCC1 ZINC000035538699 172245045 /nfs/dbraw/zinc/24/50/45/172245045.db2.gz NKXQPRHJOCMBHD-CQSZACIVSA-N 1 0 253.773 3.799 10 0 CHAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000035539550 172245314 /nfs/dbraw/zinc/24/53/14/172245314.db2.gz FXODONYJXJLTCO-ZDUSSCGKSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(F)c(F)c1 ZINC000035548570 172256925 /nfs/dbraw/zinc/25/69/25/172256925.db2.gz CCPYATCEQPDDQG-AWEZNQCLSA-N 1 0 251.276 3.565 10 0 CHAERO CCCc1ccc([C@@H]([NH2+]CC)c2cccnc2)cc1 ZINC000035550384 172258170 /nfs/dbraw/zinc/25/81/70/172258170.db2.gz QWXVUOYHTHODPL-QGZVFWFLSA-N 1 0 254.377 3.733 10 0 CHAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000035558260 172263180 /nfs/dbraw/zinc/26/31/80/172263180.db2.gz GMAJZBXSRFCWMY-QWHCGFSZSA-N 1 0 274.191 3.823 10 0 CHAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)[C@@H](C)CC ZINC000035557790 172263276 /nfs/dbraw/zinc/26/32/76/172263276.db2.gz HZZUXRRZUMPHRY-ZUZCIYMTSA-N 1 0 283.799 3.808 10 0 CHAERO CC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000035559029 172264038 /nfs/dbraw/zinc/26/40/38/172264038.db2.gz BSSXPLXSOLUTCV-CHWSQXEVSA-N 1 0 274.191 3.823 10 0 CHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(OC)c(C)c1 ZINC000035571359 172267157 /nfs/dbraw/zinc/26/71/57/172267157.db2.gz WPDMTAXJLJFKAY-INIZCTEOSA-N 1 0 259.349 3.604 10 0 CHAERO CCC[NH2+][C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000035575234 172272047 /nfs/dbraw/zinc/27/20/47/172272047.db2.gz BYTPQDMAERZLMI-OAHLLOKOSA-N 1 0 260.768 3.824 10 0 CHAERO CCC[NH2+][C@H](CC(F)(F)F)c1cc(F)ccc1F ZINC000035580366 172276570 /nfs/dbraw/zinc/27/65/70/172276570.db2.gz QQFNRHKUHLMROL-LLVKDONJSA-N 1 0 267.241 3.958 10 0 CHAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@H]1C[C@@H]1C ZINC000035580950 172276682 /nfs/dbraw/zinc/27/66/82/172276682.db2.gz UYYHSCWGAXIFFY-QEVYDEPDSA-N 1 0 257.299 3.801 10 0 CHAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1cccnc1 ZINC000035583568 172281999 /nfs/dbraw/zinc/28/19/99/172281999.db2.gz AHJTWYGYQFFRJF-ZDUSSCGKSA-N 1 0 266.797 3.886 10 0 CHAERO CC[NH2+][C@H](C)c1cccc(NC(=O)C(CC)CC)c1 ZINC000035635404 172320349 /nfs/dbraw/zinc/32/03/49/172320349.db2.gz WRNKXHLPTWYIPN-GFCCVEGCSA-N 1 0 262.397 3.732 10 0 CHAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C(C)C ZINC000035653026 172329346 /nfs/dbraw/zinc/32/93/46/172329346.db2.gz CWYQKDSQYIKWPX-ZDUSSCGKSA-N 1 0 253.773 3.860 10 0 CHAERO Clc1ccc2c(c1Cl)OCC[C@@H]2[NH2+]C1CC1 ZINC000035652943 172329910 /nfs/dbraw/zinc/32/99/10/172329910.db2.gz LOWOQIRJXQVPQB-JTQLQIEISA-N 1 0 258.148 3.569 10 0 CHAERO CC(C)CCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661826 172339307 /nfs/dbraw/zinc/33/93/07/172339307.db2.gz CFIFBDFCOVWXTI-UHFFFAOYSA-N 1 0 262.180 3.877 10 0 CHAERO C[N@H+](Cc1ccsc1)Cc1ccc(Cl)c(N)c1 ZINC000035718386 172372402 /nfs/dbraw/zinc/37/24/02/172372402.db2.gz NNTBCKYSKJPIQP-UHFFFAOYSA-N 1 0 266.797 3.616 10 0 CHAERO COc1cccc(S[C@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000035723284 172378965 /nfs/dbraw/zinc/37/89/65/172378965.db2.gz QFUILIQKKHROCO-DOMZBBRYSA-N 1 0 265.422 3.695 10 0 CHAERO [NH3+]Cc1ccccc1COCc1ccccc1Cl ZINC000035725631 172379804 /nfs/dbraw/zinc/37/98/04/172379804.db2.gz QQTLTXXBNQAPCQ-UHFFFAOYSA-N 1 0 261.752 3.516 10 0 CHAERO [NH3+]CCCCOc1ccc2cc(Br)ccc2c1 ZINC000035726760 172380471 /nfs/dbraw/zinc/38/04/71/172380471.db2.gz JGYZRFMRPMMYAX-UHFFFAOYSA-N 1 0 294.192 3.720 10 0 CHAERO [NH3+]Cc1ccc(F)c(COc2cccc(Cl)c2)c1 ZINC000035726645 172380583 /nfs/dbraw/zinc/38/05/83/172380583.db2.gz DEGVGLSXYFSBCL-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2C)c(Cl)c1 ZINC000036767970 172686507 /nfs/dbraw/zinc/68/65/07/172686507.db2.gz FQZDEFPYIQAUIG-INIZCTEOSA-N 1 0 275.779 3.900 10 0 CHAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc(C)c1O ZINC000036773892 172691156 /nfs/dbraw/zinc/69/11/56/172691156.db2.gz JTLNJNAMTRJIRP-DIOULYMOSA-N 1 0 261.409 3.923 10 0 CHAERO CC[C@H]([NH2+][C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000037167191 173001565 /nfs/dbraw/zinc/00/15/65/173001565.db2.gz UCUOVVDWDPSOIU-SJORKVTESA-N 1 0 262.441 3.704 10 0 CHAERO CC[C@@H]([NH2+][C@@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000037167190 173001655 /nfs/dbraw/zinc/00/16/55/173001655.db2.gz UCUOVVDWDPSOIU-DLBZAZTESA-N 1 0 262.441 3.704 10 0 CHAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cc(C)cc(C)c2)C1 ZINC000037210127 173031838 /nfs/dbraw/zinc/03/18/38/173031838.db2.gz AGFWJWDAZDCSSB-HZPDHXFCSA-N 1 0 260.425 3.836 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+][C@H]3CCCC[C@H]3C)n12 ZINC000037211388 173032390 /nfs/dbraw/zinc/03/23/90/173032390.db2.gz PLFFATMGRKAKMY-MFKMUULPSA-N 1 0 277.437 3.681 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+][C@@H]3CCCC[C@H]3C)n12 ZINC000037211387 173032797 /nfs/dbraw/zinc/03/27/97/173032797.db2.gz PLFFATMGRKAKMY-ZWNOBZJWSA-N 1 0 277.437 3.681 10 0 CHAERO CCN(c1ccccc1C)c1ccc(F)cc1C[NH3+] ZINC000037236169 173053801 /nfs/dbraw/zinc/05/38/01/173053801.db2.gz XDSVUNAJSHZGKA-UHFFFAOYSA-N 1 0 258.340 3.751 10 0 CHAERO CCN(c1ccc(F)cc1C[NH2+]C(C)C)C(C)C ZINC000037236585 173054458 /nfs/dbraw/zinc/05/44/58/173054458.db2.gz VWJPJOCULSVQEY-UHFFFAOYSA-N 1 0 252.377 3.558 10 0 CHAERO CCCCCC(CCCCC)[NH2+][C@H](C)C(=O)N(C)C ZINC000037267905 173079200 /nfs/dbraw/zinc/07/92/00/173079200.db2.gz HKVNQNQRXXSDID-CQSZACIVSA-N 1 0 270.461 3.582 10 0 CHAERO c1csc(C[C@H]([NH2+]C2CCOCC2)c2cccs2)c1 ZINC000037269747 173080944 /nfs/dbraw/zinc/08/09/44/173080944.db2.gz ICLCGRGDNCMZII-AWEZNQCLSA-N 1 0 293.457 3.862 10 0 CHAERO Cc1ncsc1[C@@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000037300321 173106661 /nfs/dbraw/zinc/10/66/61/173106661.db2.gz XTSWWWCKMGXVON-IBEXFIOLSA-N 1 0 276.449 3.927 10 0 CHAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1cccc(OC(F)F)c1 ZINC000037308782 173112114 /nfs/dbraw/zinc/11/21/14/173112114.db2.gz KYQFZIUJXKGZHE-ZDUSSCGKSA-N 1 0 283.705 3.990 10 0 CHAERO CC[N@H+](CCCC(=O)c1ccccc1)C1CCCC1 ZINC000037323389 173124409 /nfs/dbraw/zinc/12/44/09/173124409.db2.gz PWZFZUJQLCECLE-UHFFFAOYSA-N 1 0 259.393 3.914 10 0 CHAERO CCC[N@H+](C(C)C)[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037335209 173136756 /nfs/dbraw/zinc/13/67/56/173136756.db2.gz PNAMVSFUJASBPG-OAHLLOKOSA-N 1 0 261.409 3.995 10 0 CHAERO CC[N@H+](CC(C)C)[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037336398 173137794 /nfs/dbraw/zinc/13/77/94/173137794.db2.gz UKCOHARWPKPMGA-OAHLLOKOSA-N 1 0 261.409 3.853 10 0 CHAERO CCc1ccc(C(=O)[C@@H](C)[N@@H+](CC)[C@@H](C)CC)cc1 ZINC000037336731 173137936 /nfs/dbraw/zinc/13/79/36/173137936.db2.gz ZLTUJGAEXUESIG-UONOGXRCSA-N 1 0 261.409 3.941 10 0 CHAERO CC[C@H]1CCC[N@H+](CC(=O)c2ccc(C)cc2C)C1 ZINC000037339474 173140359 /nfs/dbraw/zinc/14/03/59/173140359.db2.gz ZECZHMVJKMBOAR-HNNXBMFYSA-N 1 0 259.393 3.608 10 0 CHAERO COc1ccc(C(=O)C[N@H+](C)[C@@H](C)C(C)C)cc1Cl ZINC000037339040 173140710 /nfs/dbraw/zinc/14/07/10/173140710.db2.gz TVBZZLUMYYMQQF-NSHDSACASA-N 1 0 283.799 3.508 10 0 CHAERO Cc1ccc(C[N@@H+](C)Cc2cc(N)ccc2Cl)cc1 ZINC000037403078 173179546 /nfs/dbraw/zinc/17/95/46/173179546.db2.gz LNMBZQLOIABEQO-UHFFFAOYSA-N 1 0 274.795 3.863 10 0 CHAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1F ZINC000037409283 173185695 /nfs/dbraw/zinc/18/56/95/173185695.db2.gz GVRWNDHJYMDPPQ-INIZCTEOSA-N 1 0 259.324 3.533 10 0 CHAERO CC[C@@H](C)c1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000037413366 173190355 /nfs/dbraw/zinc/19/03/55/173190355.db2.gz WOLVWZMMSQAXPR-CXAGYDPISA-N 1 0 258.409 3.706 10 0 CHAERO CC(C)n1c(C[NH2+]CC2CC2)nc2cccc(Cl)c21 ZINC000037444281 173212181 /nfs/dbraw/zinc/21/21/81/173212181.db2.gz SKCMRKIAVDSGEQ-UHFFFAOYSA-N 1 0 277.799 3.770 10 0 CHAERO C[C@@]([NH3+])(c1ccc(F)cc1)c1ccccc1Br ZINC000037529762 173252771 /nfs/dbraw/zinc/25/27/71/173252771.db2.gz DRDHDDGUDSWBSA-CQSZACIVSA-N 1 0 294.167 3.810 10 0 CHAERO Cc1ccccc1[C@](C)([NH3+])c1ccccc1Br ZINC000037529772 173253025 /nfs/dbraw/zinc/25/30/25/173253025.db2.gz DIEJDFGGMFXZQY-HNNXBMFYSA-N 1 0 290.204 3.980 10 0 CHAERO CCC[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000037658165 173606038 /nfs/dbraw/zinc/60/60/38/173606038.db2.gz DDNPUJUUAHZMGX-LSDHHAIUSA-N 1 0 267.800 3.950 10 0 CHAERO C[C@H]([NH3+])c1cccc(OCc2cccc(Cl)c2)c1 ZINC000037698263 173622244 /nfs/dbraw/zinc/62/22/44/173622244.db2.gz LPZABAGQJXXIIW-NSHDSACASA-N 1 0 261.752 3.939 10 0 CHAERO CC[NH2+][C@H](Cc1ccccn1)c1cc(C)cc(C)c1 ZINC000037746219 173668117 /nfs/dbraw/zinc/66/81/17/173668117.db2.gz ZWBWEGUSIUZRJU-QGZVFWFLSA-N 1 0 254.377 3.592 10 0 CHAERO CCC[NH2+][C@H](CC)c1ccccc1OCCCOC ZINC000037753471 173677394 /nfs/dbraw/zinc/67/73/94/173677394.db2.gz RADKYHBUQUKWQU-OAHLLOKOSA-N 1 0 265.397 3.553 10 0 CHAERO CC(C)c1ccc([C@H](O)C[NH2+]Cc2ccccc2F)cc1 ZINC000037880462 173820562 /nfs/dbraw/zinc/82/05/62/173820562.db2.gz SNWNKSRWNPVGQO-GOSISDBHSA-N 1 0 287.378 3.772 10 0 CHAERO CCc1ncc(C[NH2+]C2CCC(C(F)(F)F)CC2)s1 ZINC000037924460 173863210 /nfs/dbraw/zinc/86/32/10/173863210.db2.gz QAGUKKRKBDAHJK-UHFFFAOYSA-N 1 0 292.370 3.916 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COCc2ccccc2)cc1C ZINC000037981545 173941805 /nfs/dbraw/zinc/94/18/05/173941805.db2.gz QTTZZQGFZLMZBV-KRWDZBQOSA-N 1 0 255.361 3.520 10 0 CHAERO CCC[C@@H](CCc1ccc(OC)c(F)c1)[NH2+]CC ZINC000038001197 173963909 /nfs/dbraw/zinc/96/39/09/173963909.db2.gz BXYCDOOWJNZXGY-ZDUSSCGKSA-N 1 0 253.361 3.545 10 0 CHAERO CCc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)cc1 ZINC000038009259 173974006 /nfs/dbraw/zinc/97/40/06/173974006.db2.gz IRBCYOGFKGXEQP-KSSFIOAISA-N 1 0 281.399 3.903 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(Cl)c1 ZINC000038009344 173974173 /nfs/dbraw/zinc/97/41/73/173974173.db2.gz STBZXVLSTFAQEY-LRDDRELGSA-N 1 0 287.790 3.994 10 0 CHAERO Clc1c2ccccc2sc1C[NH2+]Cc1cn[nH]c1 ZINC000038009227 173974314 /nfs/dbraw/zinc/97/43/14/173974314.db2.gz LWSFSKPUNQKPQR-UHFFFAOYSA-N 1 0 277.780 3.568 10 0 CHAERO CCCc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)n2)cc1 ZINC000038037349 174037176 /nfs/dbraw/zinc/03/71/76/174037176.db2.gz LDKWQKLLQVIQFM-CYBMUJFWSA-N 1 0 269.392 3.588 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCCO2 ZINC000038058074 174068952 /nfs/dbraw/zinc/06/89/52/174068952.db2.gz CZHXXHRGAWNYPZ-INIZCTEOSA-N 1 0 273.401 3.772 10 0 CHAERO C[NH2+]Cc1cc(-c2ccc(Cl)cc2)ccc1OC ZINC000038069996 174080930 /nfs/dbraw/zinc/08/09/30/174080930.db2.gz NTGKPLUBFZRLRM-UHFFFAOYSA-N 1 0 261.752 3.735 10 0 CHAERO CC[NH2+]Cc1cc(-c2ccc(OC)cc2)ccc1F ZINC000038070966 174081821 /nfs/dbraw/zinc/08/18/21/174081821.db2.gz GKZXKLUZLWYBQM-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO C[NH2+]Cc1ccccc1-c1ccc2c(c1)CCCC2 ZINC000038072554 174082671 /nfs/dbraw/zinc/08/26/71/174082671.db2.gz WVHFBOUKWDACCO-UHFFFAOYSA-N 1 0 251.373 3.952 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1c(F)cc(F)cc1F ZINC000038072808 174083322 /nfs/dbraw/zinc/08/33/22/174083322.db2.gz YPNCKNBLYXZOOG-UHFFFAOYSA-N 1 0 265.278 3.880 10 0 CHAERO C[NH2+]Cc1ccc(-c2ccc(OC)cc2C)cc1F ZINC000038072749 174083346 /nfs/dbraw/zinc/08/33/46/174083346.db2.gz GFVZEHYSNLYSHN-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO C[NH2+]Cc1cc(-c2ccc(OC)cc2C)ccc1F ZINC000038072740 174083491 /nfs/dbraw/zinc/08/34/91/174083491.db2.gz IGNDONONBXRLFO-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO C[C@@H]([NH3+])c1ccccc1-c1ccc2c(c1)C[C@H](C)O2 ZINC000038073529 174084138 /nfs/dbraw/zinc/08/41/38/174084138.db2.gz GHLQBKDLDMDLLJ-NWDGAFQWSA-N 1 0 253.345 3.697 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(OC)cc1F ZINC000038073780 174084147 /nfs/dbraw/zinc/08/41/47/174084147.db2.gz LYQMMMAWILEZKK-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO Cc1cc(C)cc(C[C@@]2([NH3+])CCc3ccccc32)c1 ZINC000038077111 174087451 /nfs/dbraw/zinc/08/74/51/174087451.db2.gz BYZRSBCAZYGUOK-SFHVURJKSA-N 1 0 251.373 3.646 10 0 CHAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1ccccn1 ZINC000038077394 174087641 /nfs/dbraw/zinc/08/76/41/174087641.db2.gz SQXDGIGKCGGESN-KRWDZBQOSA-N 1 0 254.377 3.592 10 0 CHAERO C[C@H](C[NH2+][C@H](Cc1cccs1)c1cccs1)N(C)C ZINC000038087462 174099319 /nfs/dbraw/zinc/09/93/19/174099319.db2.gz ZAKVZKSYHILRPZ-TZMCWYRMSA-N 1 0 294.489 3.633 10 0 CHAERO C[C@H](C[NH2+]Cc1cc(-c2cccs2)cs1)N(C)C ZINC000038087418 174099778 /nfs/dbraw/zinc/09/97/78/174099778.db2.gz NIKFYBLBHGZVNS-LLVKDONJSA-N 1 0 280.462 3.516 10 0 CHAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1cc(C)oc1C ZINC000038134202 174132229 /nfs/dbraw/zinc/13/22/29/174132229.db2.gz CZNKDCGUNZWDCV-MRXNPFEDSA-N 1 0 261.340 3.929 10 0 CHAERO CCC[NH+](CCC)[C@H](CN)c1ccc(C(C)C)cc1 ZINC000038636489 174150791 /nfs/dbraw/zinc/15/07/91/174150791.db2.gz NUTUJJDVYVBOFD-QGZVFWFLSA-N 1 0 262.441 3.932 10 0 CHAERO CCC[NH+](CCC)[C@H](CN)c1ccc(OC(C)C)cc1 ZINC000038983690 174161253 /nfs/dbraw/zinc/16/12/53/174161253.db2.gz MKJPQUJUXGGAKZ-QGZVFWFLSA-N 1 0 278.440 3.596 10 0 CHAERO CC1CCN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)CC1 ZINC000039034755 174162008 /nfs/dbraw/zinc/16/20/08/174162008.db2.gz JHHWSXVMSJJLBI-ZDUSSCGKSA-N 1 0 287.234 3.725 10 0 CHAERO CC(C)(C)c1ccc([C@H](CN)[NH+]2CCCCCC2)cc1 ZINC000039148484 174164195 /nfs/dbraw/zinc/16/41/95/174164195.db2.gz XEKRDIOCDHMSRU-KRWDZBQOSA-N 1 0 274.452 3.860 10 0 CHAERO CC(C)c1ccc([C@@H](C[NH3+])N2CCC(C)CC2)cc1 ZINC000039142600 174164325 /nfs/dbraw/zinc/16/43/25/174164325.db2.gz COHHSDLBASTHGD-QGZVFWFLSA-N 1 0 260.425 3.542 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH3+])CN2Cc1ccccc1Cl ZINC000039941612 174176524 /nfs/dbraw/zinc/17/65/24/174176524.db2.gz UEVCOPWOFSNJDA-OAHLLOKOSA-N 1 0 272.779 3.668 10 0 CHAERO C[NH2+]CC[C@@H](c1ccccc1)n1ccc2ccccc21 ZINC000040380451 174250889 /nfs/dbraw/zinc/25/08/89/174250889.db2.gz VDFAJYFMKVKZLC-SFHVURJKSA-N 1 0 264.372 3.840 10 0 in-vivo CHAERO C[NH+](C)CCCn1c2ccccc2nc1-c1cccs1 ZINC000040389658 174252289 /nfs/dbraw/zinc/25/22/89/174252289.db2.gz FEIYJXXZHGSYMY-UHFFFAOYSA-N 1 0 285.416 3.717 10 0 CHAERO CCCc1nc2ccccc2n1CCC[NH+](CC)CC ZINC000040389529 174252496 /nfs/dbraw/zinc/25/24/96/174252496.db2.gz HNZRVUYWHPKARO-UHFFFAOYSA-N 1 0 273.424 3.721 10 0 CHAERO C[NH+](C)CCCn1c(C2CC2)nc2cccc(Cl)c21 ZINC000040404128 174253767 /nfs/dbraw/zinc/25/37/67/174253767.db2.gz ZABMDMAFERWIML-UHFFFAOYSA-N 1 0 277.799 3.519 10 0 CHAERO CCc1nc2cc(Cl)ccc2n1CC[NH+](CC)CC ZINC000040405507 174254135 /nfs/dbraw/zinc/25/41/35/174254135.db2.gz YOFDFGFLPHFNME-UHFFFAOYSA-N 1 0 279.815 3.594 10 0 CHAERO CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1 ZINC000040729617 174388416 /nfs/dbraw/zinc/38/84/16/174388416.db2.gz GEFLVIYVGDIVJO-MRXNPFEDSA-N 1 0 299.414 3.896 10 0 CHAERO Cc1ccc(C[C@H](C[NH3+])Cc2cc(C)ccc2C)cc1 ZINC000041386091 174542414 /nfs/dbraw/zinc/54/24/14/174542414.db2.gz RBXDZDAXHLMQHH-SFHVURJKSA-N 1 0 267.416 3.972 10 0 CHAERO FC(F)(F)c1ccc(NCCC[NH+]2CCCC2)cc1 ZINC000041406399 174547590 /nfs/dbraw/zinc/54/75/90/174547590.db2.gz JKLQLTAHTYJYOT-UHFFFAOYSA-N 1 0 272.314 3.603 10 0 CHAERO Cc1cc(Br)ccc1NCCC[NH+]1CCCC1 ZINC000041496740 174561902 /nfs/dbraw/zinc/56/19/02/174561902.db2.gz CIICGODPNHPUBH-UHFFFAOYSA-N 1 0 297.240 3.655 10 0 CHAERO Clc1cccc(C2CC([NH2+]C[C@@H]3CCCCO3)C2)c1 ZINC000042815391 174885656 /nfs/dbraw/zinc/88/56/56/174885656.db2.gz DNJBPQNUEPHLOI-BCLQGDPASA-N 1 0 279.811 3.745 10 0 CHAERO Cc1ccc([C@H](OCCc2cccs2)[C@H](C)[NH3+])cc1 ZINC000042911772 174910539 /nfs/dbraw/zinc/91/05/39/174910539.db2.gz ZVPSNUGLQPPOAW-XJKSGUPXSA-N 1 0 275.417 3.704 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OCc1ccco1)c1ccc(C)cc1 ZINC000042916076 174916370 /nfs/dbraw/zinc/91/63/70/174916370.db2.gz DMFVRJQPIHMLJN-HZPDHXFCSA-N 1 0 259.349 3.583 10 0 CHAERO CC1CCC(O[C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000042948683 174922800 /nfs/dbraw/zinc/92/28/00/174922800.db2.gz TTXUDTDMLBOZLO-KWCHVYNWSA-N 1 0 267.800 3.935 10 0 CHAERO Cc1cccc([C@H](C[NH3+])O[C@@H](C)c2ccccc2)c1 ZINC000042968678 174932340 /nfs/dbraw/zinc/93/23/40/174932340.db2.gz LXZKTQSMFJICAG-YOEHRIQHSA-N 1 0 255.361 3.773 10 0 CHAERO Cc1cccc([C@@H](OCCc2cccs2)[C@H](C)[NH3+])c1 ZINC000042969454 174932859 /nfs/dbraw/zinc/93/28/59/174932859.db2.gz MOJAIZSSVQYRJG-BBRMVZONSA-N 1 0 275.417 3.704 10 0 CHAERO C[C@@H]([NH3+])[C@H](OC1CCCCC1)c1cccc(F)c1 ZINC000042973282 174937061 /nfs/dbraw/zinc/93/70/61/174937061.db2.gz KPJXKGWBAJWMQA-ABAIWWIYSA-N 1 0 251.345 3.563 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OC(C)(C)CC)c1cccc(F)c1 ZINC000042974032 174937508 /nfs/dbraw/zinc/93/75/08/174937508.db2.gz DKYQGUMEYFVESF-ZIAGYGMSSA-N 1 0 253.361 3.809 10 0 CHAERO Cc1ccccc1[C@@H](OC1CCC(C)CC1)[C@@H](C)[NH3+] ZINC000043039196 174953044 /nfs/dbraw/zinc/95/30/44/174953044.db2.gz JLCZIWVSTHNZKO-MAIKSMBNSA-N 1 0 261.409 3.979 10 0 CHAERO C[C@@H]([NH3+])[C@@H](OC1CCCCCC1)c1ccccc1F ZINC000043048788 174957598 /nfs/dbraw/zinc/95/75/98/174957598.db2.gz OICBAQYMTWYNQB-MLGOLLRUSA-N 1 0 265.372 3.953 10 0 CHAERO [NH3+]C[C@H](SC1CCCCC1)c1ccccc1F ZINC000043050193 174958562 /nfs/dbraw/zinc/95/85/62/174958562.db2.gz ZLLXSGGXAPWCBO-AWEZNQCLSA-N 1 0 253.386 3.891 10 0 CHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)n1cc(Cl)cn1 ZINC000043053259 174960958 /nfs/dbraw/zinc/96/09/58/174960958.db2.gz NLETZYMGWXBKAH-QWHCGFSZSA-N 1 0 284.190 3.517 10 0 CHAERO C[NH2+]CC[C@@H](c1ccccc1)c1ccc2[nH]ccc2c1 ZINC000043060728 174961342 /nfs/dbraw/zinc/96/13/42/174961342.db2.gz DASUUHWEMHDMII-KRWDZBQOSA-N 1 0 264.372 3.909 10 0 CHAERO CCC(C)(C)O[C@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043088207 174963417 /nfs/dbraw/zinc/96/34/17/174963417.db2.gz RHEPPPYJYGYXHJ-GWCFXTLKSA-N 1 0 255.789 3.934 10 0 CHAERO COc1ccccc1[C@H](SCc1ccco1)[C@H](C)[NH3+] ZINC000043101395 174967615 /nfs/dbraw/zinc/96/76/15/174967615.db2.gz PSEDGBLAKHHBTR-XHDPSFHLSA-N 1 0 277.389 3.610 10 0 CHAERO CC[C@H]([NH3+])[C@H](OC1CCCCC1)c1cccs1 ZINC000043107523 174973059 /nfs/dbraw/zinc/97/30/59/174973059.db2.gz KJDLGBRICNVACZ-JSGCOSHPSA-N 1 0 253.411 3.876 10 0 CHAERO CCc1ccccc1O[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043111328 174974458 /nfs/dbraw/zinc/97/44/58/174974458.db2.gz DKXDTYWXGQOYHG-ABAIWWIYSA-N 1 0 261.390 3.778 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000043392457 175034431 /nfs/dbraw/zinc/03/44/31/175034431.db2.gz JYTVKSQBQRCXCH-ZDUSSCGKSA-N 1 0 271.307 3.864 10 0 CHAERO CC[NH2+][C@H](C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000043512161 175060448 /nfs/dbraw/zinc/06/04/48/175060448.db2.gz PNRPBWDVGDRXGC-GHMZBOCLSA-N 1 0 259.315 3.882 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@@H]1Cc1ccc(Br)s1 ZINC000043650487 175085509 /nfs/dbraw/zinc/08/55/09/175085509.db2.gz PUMQXAVZCFOUDD-MWLCHTKSSA-N 1 0 288.254 3.961 10 0 CHAERO CC[NH2+][C@@H]1CCC[C@@H]1Cc1sccc1Br ZINC000043676302 175088194 /nfs/dbraw/zinc/08/81/94/175088194.db2.gz XYICJUCRCLUVKS-MWLCHTKSSA-N 1 0 288.254 3.831 10 0 CHAERO Cc1cc(C)c([C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121732 175143222 /nfs/dbraw/zinc/14/32/22/175143222.db2.gz RJXJSHWZLJMHHL-IXDOHACOSA-N 1 0 275.436 3.908 10 0 CHAERO [NH3+]CCc1ccccc1Sc1ccc(Cl)cc1 ZINC000044396607 175170982 /nfs/dbraw/zinc/17/09/82/175170982.db2.gz KQTKZBKHKPJKCN-UHFFFAOYSA-N 1 0 263.793 3.992 10 0 CHAERO CCC[NH2+][C@H]1CC(C)(C)Oc2cc(OCC)ccc21 ZINC000044421789 175174260 /nfs/dbraw/zinc/17/42/60/175174260.db2.gz WDEKRTRNJXTJKT-AWEZNQCLSA-N 1 0 263.381 3.687 10 0 CHAERO COc1cccc(-c2nc(C)c(C[NH2+]C(C)C)s2)c1 ZINC000045205718 175327791 /nfs/dbraw/zinc/32/77/91/175327791.db2.gz TWQYKPLBKDSHAO-UHFFFAOYSA-N 1 0 276.405 3.625 10 0 CHAERO CC(C)(C)[N@H+](CCC(=O)c1ccccn1)Cc1ccccc1 ZINC000045355314 175362042 /nfs/dbraw/zinc/36/20/42/175362042.db2.gz JBCFSSJYNCPJND-UHFFFAOYSA-N 1 0 296.414 3.955 10 0 CHAERO CC(C)(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000068591019 175811559 /nfs/dbraw/zinc/81/15/59/175811559.db2.gz KIMAVXXQFVORIO-ZIAGYGMSSA-N 1 0 298.471 3.706 10 0 CHAERO CC[C@H](C)C[C@@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591247 175811585 /nfs/dbraw/zinc/81/15/85/175811585.db2.gz XFMDWAFTFJDMOM-ZFWWWQNUSA-N 1 0 298.471 3.563 10 0 CHAERO C[C@@H]([NH3+])c1csc(-c2cccc(Br)c2)n1 ZINC000070840231 176008421 /nfs/dbraw/zinc/00/84/21/176008421.db2.gz GKSVCITVIVCOIQ-SSDOTTSWSA-N 1 0 283.194 3.592 10 0 CHAERO C[C@@H]([NH3+])c1csc(Cc2ccc(Br)cc2)n1 ZINC000070839962 176008500 /nfs/dbraw/zinc/00/85/00/176008500.db2.gz ISTPZTRXRQNKDM-MRVPVSSYSA-N 1 0 297.221 3.516 10 0 CHAERO CCC[C@H]1CC[C@H]([NH3+])[C@H](Oc2cc(F)ccc2F)C1 ZINC000071167614 176049469 /nfs/dbraw/zinc/04/94/69/176049469.db2.gz ASMVVCLUYCSAFB-VZJVUDMVSA-N 1 0 269.335 3.640 10 0 CHAERO C[C@H]1CCCC[C@H]1[NH2+]CCOc1cc(F)ccc1F ZINC000071168956 176049704 /nfs/dbraw/zinc/04/97/04/176049704.db2.gz KNQBJYBOQVAZFN-SMDDNHRTSA-N 1 0 269.335 3.512 10 0 CHAERO COc1ccc(Br)c2c1CC[NH2+][C@@H]2CC(C)C ZINC000071187273 176060699 /nfs/dbraw/zinc/06/06/99/176060699.db2.gz GDZVJWWMZAGSEG-GFCCVEGCSA-N 1 0 298.224 3.691 10 0 CHAERO CC[NH2+][C@@H](C)c1cnn(Cc2cccc(Cl)c2)c1C ZINC000071193863 176075912 /nfs/dbraw/zinc/07/59/12/176075912.db2.gz FSCMQCQAZHAVKX-NSHDSACASA-N 1 0 277.799 3.564 10 0 CHAERO CCC[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(Cl)cc1 ZINC000071300180 176113410 /nfs/dbraw/zinc/11/34/10/176113410.db2.gz OXKPNEBMOIDRBN-LSDHHAIUSA-N 1 0 267.800 3.542 10 0 CHAERO CC[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000071301642 176114156 /nfs/dbraw/zinc/11/41/56/176114156.db2.gz BHAJPTNHPWKFQI-UONOGXRCSA-N 1 0 288.218 3.805 10 0 CHAERO CC[C@H](NC1=[NH+]C[C@@H](C2CC2)S1)c1ccccc1 ZINC000071307933 176116153 /nfs/dbraw/zinc/11/61/53/176116153.db2.gz BZNPZKUJENBAEN-KBPBESRZSA-N 1 0 260.406 3.609 10 0 CHAERO Cc1cccnc1C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000071339782 176130027 /nfs/dbraw/zinc/13/00/27/176130027.db2.gz DZODFGUZTLLNDX-XHSDSOJGSA-N 1 0 258.409 3.839 10 0 CHAERO c1ccc(-c2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000071424880 176161411 /nfs/dbraw/zinc/16/14/11/176161411.db2.gz XUBADPQXMRPAJV-INIZCTEOSA-N 1 0 251.373 3.896 10 0 CHAERO COc1cc(C)c(Cl)cc1[C@@H](C)CCCC[NH3+] ZINC000071577195 176205523 /nfs/dbraw/zinc/20/55/23/176205523.db2.gz LWNOWRXESZYLRM-JTQLQIEISA-N 1 0 255.789 3.890 10 0 CHAERO CC(C)(C)C[C@H]([NH3+])c1cc(Br)cs1 ZINC000071588414 176216510 /nfs/dbraw/zinc/21/65/10/176216510.db2.gz QSVWYOWONVCQCY-QMMMGPOBSA-N 1 0 262.216 3.947 10 0 CHAERO C[NH2+]CCCCc1cc(Cl)c(OC)cc1Cl ZINC000071588391 176216718 /nfs/dbraw/zinc/21/67/18/176216718.db2.gz BJFJNWCFRHZJET-UHFFFAOYSA-N 1 0 262.180 3.544 10 0 CHAERO C[N@@H+]1C[C@@H]2CCC[C@]2(c2ccc3ccccc3c2)C1 ZINC000072105533 176316492 /nfs/dbraw/zinc/31/64/92/176316492.db2.gz QSOVYEIFTQKDEW-ZWKOTPCHSA-N 1 0 251.373 3.823 10 0 CHAERO COc1ccc(Cl)cc1[C@@H](CC[NH3+])CC(C)C ZINC000076661483 177049048 /nfs/dbraw/zinc/04/90/48/177049048.db2.gz ZNZYZYCHYINEAO-NSHDSACASA-N 1 0 255.789 3.827 10 0 CHAERO Cc1ccc([C@H](CC[NH3+])CCc2ccco2)cc1C ZINC000076664932 177050401 /nfs/dbraw/zinc/05/04/01/177050401.db2.gz KDJKSPZLBDSKJG-HNNXBMFYSA-N 1 0 257.377 3.962 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccc(F)cc1)c1ccccc1 ZINC000076664564 177050685 /nfs/dbraw/zinc/05/06/85/177050685.db2.gz JUOJJTVCDRLZOX-MRXNPFEDSA-N 1 0 257.352 3.891 10 0 CHAERO CSc1ccc([C@@H](C[NH3+])CCc2ccco2)cc1 ZINC000076673058 177054546 /nfs/dbraw/zinc/05/45/46/177054546.db2.gz CMHFBIBRYGKRMR-CYBMUJFWSA-N 1 0 261.390 3.677 10 0 CHAERO CSc1ccc([C@H](C[NH3+])COc2ccccc2)cc1 ZINC000076718115 177069468 /nfs/dbraw/zinc/06/94/68/177069468.db2.gz CQTDWMNZIBLOFP-CQSZACIVSA-N 1 0 273.401 3.530 10 0 CHAERO CC[NH2+][C@H](C)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000076784578 177091610 /nfs/dbraw/zinc/09/16/10/177091610.db2.gz VWBBDGXIIYCYIP-MRVPVSSYSA-N 1 0 268.332 3.759 10 0 CHAERO CC[NH2+][C@@H](C)c1csc(-c2ccc(F)cc2)n1 ZINC000076784533 177091831 /nfs/dbraw/zinc/09/18/31/177091831.db2.gz HSPHOUCQLIQBGS-VIFPVBQESA-N 1 0 250.342 3.620 10 0 CHAERO CC[NH2+][C@@H](C)c1csc(CCc2ccccc2)n1 ZINC000076784612 177092375 /nfs/dbraw/zinc/09/23/75/177092375.db2.gz ONQFXYWXKBLRAA-LBPRGKRZSA-N 1 0 260.406 3.599 10 0 CHAERO Cc1c([C@@H](C)[NH2+]C2CC(c3cccc(C)c3)C2)cnn1C ZINC000037167870 260072894 /nfs/dbraw/zinc/07/28/94/260072894.db2.gz CBCBLAQXYBOUQW-NVPAJSRCSA-N 1 0 283.419 3.634 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]CCCCCO)c1ccccc1 ZINC000192925783 227384573 /nfs/dbraw/zinc/38/45/73/227384573.db2.gz VLFISVLUINTITG-IBGZPJMESA-N 1 0 283.415 3.837 10 0 CHAERO COc1ccccc1C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000036845485 260039998 /nfs/dbraw/zinc/03/99/98/260039998.db2.gz XQUSPERVOAGQHN-UHFFFAOYSA-N 1 0 285.362 3.870 10 0 CHAERO c1ccc2c(c1)OC[C@@H]2Nc1cc[nH+]c2ccccc12 ZINC000070079346 260151373 /nfs/dbraw/zinc/15/13/73/260151373.db2.gz TYXTZGJZHICAIV-INIZCTEOSA-N 1 0 262.312 3.780 10 0 CHAERO C[C@H]([NH3+])CCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000070317780 260155917 /nfs/dbraw/zinc/15/59/17/260155917.db2.gz SBQBBXPADICCSX-ZDUSSCGKSA-N 1 0 284.359 3.545 10 0 CHAERO CC[C@H]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)C1 ZINC000078005408 260167516 /nfs/dbraw/zinc/16/75/16/260167516.db2.gz LWLQEMWUHLCTNK-LSDHHAIUSA-N 1 0 271.408 3.595 10 0 CHAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312600399 260172986 /nfs/dbraw/zinc/17/29/86/260172986.db2.gz KRMCYHKYFKNQFQ-PSASIEDQSA-N 1 0 294.247 3.696 10 0 CHAERO CC1CCC(C[NH2+]C[C@H](c2ccco2)N2CCCC2)CC1 ZINC000089575589 260237779 /nfs/dbraw/zinc/23/77/79/260237779.db2.gz VYFRTFPXPCVJTG-OFLPRAFFSA-N 1 0 290.451 3.832 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(C(C)C)CC2)c1C ZINC000090230444 260239672 /nfs/dbraw/zinc/23/96/72/260239672.db2.gz WASJCJDWFGFQJZ-LBPRGKRZSA-N 1 0 263.429 3.607 10 0 CHAERO Cc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)cn1 ZINC000128966906 260380679 /nfs/dbraw/zinc/38/06/79/260380679.db2.gz XHXACURZQUVWKM-INIZCTEOSA-N 1 0 282.387 3.782 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)CCSCC)c1 ZINC000160001910 260940434 /nfs/dbraw/zinc/94/04/34/260940434.db2.gz BIIFLQOJJWQJNC-CYBMUJFWSA-N 1 0 254.443 3.519 10 0 CHAERO CSc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1F ZINC000152874964 261070497 /nfs/dbraw/zinc/07/04/97/261070497.db2.gz IEBGEEGILPPENN-MJVIPROJSA-N 1 0 283.412 3.766 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CCCC1)CC2 ZINC000092837480 261061004 /nfs/dbraw/zinc/06/10/04/261061004.db2.gz RNSFAFCJGYDNAR-SJKOYZFVSA-N 1 0 259.393 3.851 10 0 CHAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Br)cc1 ZINC000052269124 261081399 /nfs/dbraw/zinc/08/13/99/261081399.db2.gz FBQVPWMHRPJZKQ-TVYUQYBPSA-N 1 0 268.198 3.898 10 0 CHAERO C[C@H]1CC[C@H]([NH2+]Cc2cccn2C)c2ccccc21 ZINC000154175393 261088513 /nfs/dbraw/zinc/08/85/13/261088513.db2.gz CLSVXGKZFZIFCD-GUYCJALGSA-N 1 0 254.377 3.753 10 0 CHAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000162419151 261281344 /nfs/dbraw/zinc/28/13/44/261281344.db2.gz VZPNAUWUZWVFCC-KBXCAEBGSA-N 1 0 284.403 3.560 10 0 CHAERO CC[C@H](C)[C@H](C)[N@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717590 261315771 /nfs/dbraw/zinc/31/57/71/261315771.db2.gz SLTMPLVZQNRRGM-RYUDHWBXSA-N 1 0 289.379 3.729 10 0 CHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000106206194 261322818 /nfs/dbraw/zinc/32/28/18/261322818.db2.gz MTVYBEISADLFIA-SFHVURJKSA-N 1 0 297.446 3.991 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)cc(C)c3)C2)c1 ZINC000106220016 261323474 /nfs/dbraw/zinc/32/34/74/261323474.db2.gz DCVWXFUOWRHKHY-GOSISDBHSA-N 1 0 283.419 3.645 10 0 CHAERO C[C@@H]([NH3+])c1nc(-c2cccc(Br)c2)cs1 ZINC000003708693 261331826 /nfs/dbraw/zinc/33/18/26/261331826.db2.gz DXJUVRTXAWWUTB-SSDOTTSWSA-N 1 0 283.194 3.592 10 0 CHAERO Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664130 261339226 /nfs/dbraw/zinc/33/92/26/261339226.db2.gz VUYUOKLOCWPNQN-FUHWJXTLSA-N 1 0 295.430 3.855 10 0 CHAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000178431930 261391638 /nfs/dbraw/zinc/39/16/38/261391638.db2.gz SZWYEDCPIKOOAN-OLZOCXBDSA-N 1 0 253.361 3.600 10 0 CHAERO COc1cccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)c1 ZINC000120422856 262194890 /nfs/dbraw/zinc/19/48/90/262194890.db2.gz BJYIBGHREVFTAS-KXBFYZLASA-N 1 0 298.430 3.649 10 0 CHAERO Cc1cccc(C[NH2+][C@@H](C)COCc2ccccc2)c1C ZINC000390567639 262219679 /nfs/dbraw/zinc/21/96/79/262219679.db2.gz QZZWHEXOTYGLLB-INIZCTEOSA-N 1 0 283.415 3.998 10 0 CHAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)CCS2 ZINC000186995110 262334201 /nfs/dbraw/zinc/33/42/01/262334201.db2.gz HAIXMMKOUORHEU-BMFZPTHFSA-N 1 0 291.460 3.997 10 0 CHAERO CC(C)(C)SCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000311733372 262340015 /nfs/dbraw/zinc/34/00/15/262340015.db2.gz PALOGSVXZLVWGP-RRFJBIMHSA-N 1 0 285.497 3.534 10 0 CHAERO CC(C)(CO)CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000393442621 262360228 /nfs/dbraw/zinc/36/02/28/262360228.db2.gz XSTLKRBSODMDRQ-GJZGRUSLSA-N 1 0 269.473 3.980 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000021512121 262389447 /nfs/dbraw/zinc/38/94/47/262389447.db2.gz VFCOAWBLPAJGIJ-MPGHIAIKSA-N 1 0 291.435 3.940 10 0 CHAERO CCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccsc1 ZINC000187729337 263267404 /nfs/dbraw/zinc/26/74/04/263267404.db2.gz IWTLZDVVDCMBTG-VHDGCEQUSA-N 1 0 267.438 3.730 10 0 CHAERO Fc1cc(Cl)ccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000189110557 264272330 /nfs/dbraw/zinc/27/23/30/264272330.db2.gz DGCUZSPOHPDCMS-OAHLLOKOSA-N 1 0 293.773 3.929 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000094826916 265260196 /nfs/dbraw/zinc/26/01/96/265260196.db2.gz IOUARYFPYTXHGQ-BLLLJJGKSA-N 1 0 284.394 3.592 10 0 CHAERO CC[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000094949315 265277926 /nfs/dbraw/zinc/27/79/26/265277926.db2.gz CGVWVZKZYADEFI-ILXRZTDVSA-N 1 0 255.446 3.590 10 0 CHAERO CCOC(=O)CCCCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094955388 265279077 /nfs/dbraw/zinc/27/90/77/265279077.db2.gz XPGLWRARDLPYOJ-AWEZNQCLSA-N 1 0 295.398 3.908 10 0 CHAERO C[C@H]1CC(C[NH2+]C2CC(c3ccccc3)C2)C[C@H](C)O1 ZINC000369860407 267272008 /nfs/dbraw/zinc/27/20/08/267272008.db2.gz CEWZYEQOQNYKLY-DIOPXHOYSA-N 1 0 273.420 3.726 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)CC(C)(C)C1 ZINC000384109013 336121983 /nfs/dbraw/zinc/12/19/83/336121983.db2.gz GXFFOTAQSLRUDM-RDBSUJKOSA-N 1 0 255.471 3.934 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCCOC1 ZINC000388469523 327883098 /nfs/dbraw/zinc/88/30/98/327883098.db2.gz LPDCJFUCHQIHHC-ZDEQEGDKSA-N 1 0 279.346 3.512 10 0 CHAERO Cc1csc(C2CC[NH+]([C@H]3C=CCCC3)CC2)n1 ZINC000171735738 329079657 /nfs/dbraw/zinc/07/96/57/329079657.db2.gz KFMXUESIFWXBDD-AWEZNQCLSA-N 1 0 262.422 3.740 10 0 CHAERO CC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000296623035 328291421 /nfs/dbraw/zinc/29/14/21/328291421.db2.gz ZIZPPDULMZFNJY-QVHKTLOISA-N 1 0 267.438 3.992 10 0 CHAERO C[NH2+]Cc1ccccc1NC(=O)c1cc2ccccc2s1 ZINC000048856100 328323276 /nfs/dbraw/zinc/32/32/76/328323276.db2.gz LMDVXYNRDFNJRZ-UHFFFAOYSA-N 1 0 296.395 3.873 10 0 CHAERO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000559303950 327157408 /nfs/dbraw/zinc/15/74/08/327157408.db2.gz NBTXHTVNECSXSP-AGGWBTHJSA-N 1 0 281.827 3.942 10 0 CHAERO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)CC1CC(O)C1 ZINC000091489504 327171145 /nfs/dbraw/zinc/17/11/45/327171145.db2.gz KHOYJWZIQRFIKK-UHFFFAOYSA-N 1 0 289.463 3.804 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(Cl)cc1 ZINC000159980319 327583689 /nfs/dbraw/zinc/58/36/89/327583689.db2.gz YZUBHRZIFKBTAE-KCPJHIHWSA-N 1 0 267.800 3.684 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cc2c(s1)CCCC2 ZINC000300411566 332814348 /nfs/dbraw/zinc/81/43/48/332814348.db2.gz ODWWJRFHAJGASM-AEGPPILISA-N 1 0 293.476 3.829 10 0 CHAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000172027757 329083259 /nfs/dbraw/zinc/08/32/59/329083259.db2.gz WIYFNMNXWOQCGF-INIZCTEOSA-N 1 0 299.370 3.698 10 0 CHAERO CSc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000172272164 329084456 /nfs/dbraw/zinc/08/44/56/329084456.db2.gz ODYUDBVHVXWBPW-MRXNPFEDSA-N 1 0 287.432 3.859 10 0 CHAERO Cc1cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c(C)s1 ZINC000172270978 329084524 /nfs/dbraw/zinc/08/45/24/329084524.db2.gz HVPKBFDTBLRASB-HNNXBMFYSA-N 1 0 275.421 3.815 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)cc1 ZINC000178284082 329195643 /nfs/dbraw/zinc/19/56/43/329195643.db2.gz RZDKXGJRTQYXNB-GUYCJALGSA-N 1 0 287.382 3.556 10 0 CHAERO Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2CC(C)C)s1 ZINC000181655196 329235534 /nfs/dbraw/zinc/23/55/34/329235534.db2.gz XUHNXAUYUJNIPU-SWLSCSKDSA-N 1 0 295.496 3.531 10 0 CHAERO Cc1nnc([C@H](C)N[C@H](C)c2ccc(C(C)C)cc2)[nH]1 ZINC000392351598 329274618 /nfs/dbraw/zinc/27/46/18/329274618.db2.gz PXKDPDAPANPWIH-NEPJUHHUSA-N 1 0 272.396 3.648 10 0 CHAERO CC(C)=CC[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000188442439 329368986 /nfs/dbraw/zinc/36/89/86/329368986.db2.gz HHAVGBBXWABFKP-KRWDZBQOSA-N 1 0 252.361 3.727 10 0 CHAERO C[C@@H](C[NH2+]CC1CCC(C)CC1)c1nccs1 ZINC000230694864 329371222 /nfs/dbraw/zinc/37/12/22/329371222.db2.gz IUWVYCNQOLKCLO-CPCZMJQVSA-N 1 0 252.427 3.663 10 0 CHAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000189042514 329375019 /nfs/dbraw/zinc/37/50/19/329375019.db2.gz ZZGCFQFAPVOOLE-GOEBONIOSA-N 1 0 257.377 3.823 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)nc1 ZINC000189134649 329376140 /nfs/dbraw/zinc/37/61/40/329376140.db2.gz HNGOIVYOLZAXNI-QGZVFWFLSA-N 1 0 299.462 3.671 10 0 CHAERO CCOCCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000388382446 329526046 /nfs/dbraw/zinc/52/60/46/329526046.db2.gz SLJBEKXOSQBLJI-OWCLPIDISA-N 1 0 255.446 3.854 10 0 CHAERO CC(C)[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000037249887 329549614 /nfs/dbraw/zinc/54/96/14/329549614.db2.gz FQFMJZJNWLNRFN-GWCFXTLKSA-N 1 0 298.224 3.907 10 0 CHAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000037249881 329549744 /nfs/dbraw/zinc/54/97/44/329549744.db2.gz FQFMJZJNWLNRFN-ZWNOBZJWSA-N 1 0 298.224 3.907 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cccc(Br)c1 ZINC000134247714 329658159 /nfs/dbraw/zinc/65/81/59/329658159.db2.gz QYKQSCRACCEYCB-SWHYSGLUSA-N 1 0 298.224 3.667 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000247015744 329874522 /nfs/dbraw/zinc/87/45/22/329874522.db2.gz MOOXBULDCJUJOV-ICCXJUOJSA-N 1 0 251.757 3.552 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccccc1OC ZINC000247143553 329876591 /nfs/dbraw/zinc/87/65/91/329876591.db2.gz QZPQHYPUEONLQI-LISAXSMJSA-N 1 0 289.419 3.694 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)s1 ZINC000247217155 329877753 /nfs/dbraw/zinc/87/77/53/329877753.db2.gz WEKLALCZBJVAED-IGQOVBAYSA-N 1 0 265.422 3.665 10 0 CHAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1csc(Cl)c1 ZINC000248683731 329897167 /nfs/dbraw/zinc/89/71/67/329897167.db2.gz FMMFOBRUCYPOTI-DYQSUWPFSA-N 1 0 293.819 3.710 10 0 CHAERO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c2ccccc21 ZINC000248720231 329897835 /nfs/dbraw/zinc/89/78/35/329897835.db2.gz CFDCBVCSSSISPD-FHLIZLRMSA-N 1 0 285.431 3.956 10 0 CHAERO Cc1cccc(C[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)C2CC2)c1 ZINC000248753636 329898792 /nfs/dbraw/zinc/89/87/92/329898792.db2.gz GACWNDJQEKGOPG-SLFFLAALSA-N 1 0 299.458 3.863 10 0 CHAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248942740 329902738 /nfs/dbraw/zinc/90/27/38/329902738.db2.gz YYWALQWRIISLNH-QANKJYHBSA-N 1 0 289.419 3.694 10 0 CHAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248942737 329902746 /nfs/dbraw/zinc/90/27/46/329902746.db2.gz YYWALQWRIISLNH-FDQGKXFDSA-N 1 0 289.419 3.694 10 0 CHAERO C[C@H](Sc1ccccc1)c1nc(C2([NH3+])CCCC2)no1 ZINC000261624157 329976303 /nfs/dbraw/zinc/97/63/03/329976303.db2.gz CAYKHBMUSXFSNN-NSHDSACASA-N 1 0 289.404 3.651 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2=CCCCC2)c1C ZINC000379586181 330139423 /nfs/dbraw/zinc/13/94/23/330139423.db2.gz IWKAULPFFWQVIO-GFCCVEGCSA-N 1 0 261.413 3.671 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1ccoc1 ZINC000379615833 330142079 /nfs/dbraw/zinc/14/20/79/330142079.db2.gz BGCGPCNCNJUMBA-LPHOPBHVSA-N 1 0 298.430 3.985 10 0 CHAERO CC(C)n1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000226237617 330155565 /nfs/dbraw/zinc/15/55/65/330155565.db2.gz VMOKESLKBHDZRJ-LLVKDONJSA-N 1 0 279.334 3.593 10 0 CHAERO C[C@@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)[C@@H]1CCCO1 ZINC000036845121 330294309 /nfs/dbraw/zinc/29/43/09/330294309.db2.gz 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JCLCOYLSBFRMOL-GRDNDAEWSA-N 1 0 261.409 3.713 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc(C)cc1 ZINC000135646945 334135041 /nfs/dbraw/zinc/13/50/41/334135041.db2.gz BZJJUFITNOHGBK-ULQDDVLXSA-N 1 0 261.409 3.729 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137080071 334169397 /nfs/dbraw/zinc/16/93/97/334169397.db2.gz JARAJVVAYQJPDQ-HQJQHLMTSA-N 1 0 274.589 3.601 10 0 CHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)[C@H]1CCCO1 ZINC000245510312 334198960 /nfs/dbraw/zinc/19/89/60/334198960.db2.gz WALZMPPBURBYFW-LUYZLQTOSA-N 1 0 259.393 3.700 10 0 CHAERO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)CCc3ccccc3)C2)c1 ZINC000246925299 334272227 /nfs/dbraw/zinc/27/22/27/334272227.db2.gz AOJGTKKHWJOZMR-MJGOQNOKSA-N 1 0 297.446 3.850 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(F)c(Cl)c1 ZINC000246871676 334270888 /nfs/dbraw/zinc/27/08/88/334270888.db2.gz FGHNVPIVWDWNQV-JVLSTEMRSA-N 1 0 285.790 3.681 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000247204908 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ITVXQRNLXRCRSO-AAEUAGOBSA-N 1 0 299.245 3.834 10 0 CHAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)[C@H]1C ZINC000252427161 334379553 /nfs/dbraw/zinc/37/95/53/334379553.db2.gz XQLQPGHPFJBRJD-BFJAYTPKSA-N 1 0 286.419 3.509 10 0 CHAERO OC1CC(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000091538788 334379888 /nfs/dbraw/zinc/37/98/88/334379888.db2.gz SERMQGKEZZNILJ-UYJHFMRCSA-N 1 0 273.420 3.669 10 0 CHAERO O=C(C[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000092064469 334393590 /nfs/dbraw/zinc/39/35/90/334393590.db2.gz OFAUXARDTKBLJB-INIZCTEOSA-N 1 0 275.367 3.806 10 0 CHAERO COCc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)o1 ZINC000268794954 334716409 /nfs/dbraw/zinc/71/64/09/334716409.db2.gz NTOREJVNTCHLHJ-AWEZNQCLSA-N 1 0 273.376 3.894 10 0 CHAERO CC/C=C\CC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000346587993 335369147 /nfs/dbraw/zinc/36/91/47/335369147.db2.gz WPMSSLWFRVPAON-XVWMLYKFSA-N 1 0 269.392 3.879 10 0 CHAERO CC(C)(CO)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000385732461 336155276 /nfs/dbraw/zinc/15/52/76/336155276.db2.gz ASRFLTZCAMCWOK-KGLIPLIRSA-N 1 0 255.446 3.590 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@H]1C ZINC000385966434 336163607 /nfs/dbraw/zinc/16/36/07/336163607.db2.gz ONOZFOVZWAXALP-DHMWGJHJSA-N 1 0 259.393 3.923 10 0 CHAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccccc1Cl ZINC000062671503 519804874 /nfs/dbraw/zinc/80/48/74/519804874.db2.gz HQWLMYWXVDTXIG-HNNXBMFYSA-N 1 0 280.843 3.548 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OC1CCCC1 ZINC000062747142 520074258 /nfs/dbraw/zinc/07/42/58/520074258.db2.gz IQYFECBSHUTMDR-NSHDSACASA-N 1 0 251.345 3.818 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(-n2ccnc2CC)c(Cl)c1 ZINC000061698469 520176646 /nfs/dbraw/zinc/17/66/46/520176646.db2.gz XRLPEZVVIJZIDH-LLVKDONJSA-N 1 0 277.799 3.759 10 0 CHAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)CC(F)(F)F ZINC000049347397 520203140 /nfs/dbraw/zinc/20/31/40/520203140.db2.gz JKUVDVUOXYKVCJ-MRVPVSSYSA-N 1 0 283.696 3.952 10 0 CHAERO CCCCC[C@@H](C)N1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602884 520277401 /nfs/dbraw/zinc/27/74/01/520277401.db2.gz BJDXGSPFKHWVET-WZYMTQMTSA-N 1 0 252.446 3.560 10 0 CHAERO CCCc1nc(N(C)CC(C)C)sc1C[NH2+]C(C)C ZINC000054996622 521528686 /nfs/dbraw/zinc/52/86/86/521528686.db2.gz UYVVNCWWHLCUOQ-UHFFFAOYSA-N 1 0 283.485 3.686 10 0 CHAERO CCCc1nc(N2CCC[C@@H](C)C2)sc1C[NH2+]C(C)C ZINC000054995532 521532510 /nfs/dbraw/zinc/53/25/10/521532510.db2.gz OEEBWEMQUFKNJL-CYBMUJFWSA-N 1 0 295.496 3.830 10 0 CHAERO CCCN(CC)c1nc(C)c(C[NH2+]C(C)(C)C)s1 ZINC000054996684 521618716 /nfs/dbraw/zinc/61/87/16/521618716.db2.gz DQFPGFBGZNQVQG-UHFFFAOYSA-N 1 0 269.458 3.576 10 0 CHAERO C[C@@H](C[N@@H+]1CCSC2(CCC2)CC1)C(F)(F)F ZINC000334732610 533863074 /nfs/dbraw/zinc/86/30/74/533863074.db2.gz KYFRHRUFCONFHL-JTQLQIEISA-N 1 0 267.360 3.546 10 0 CHAERO CC[C@@H](C[NH2+]C(C)(C)C)Oc1ccc(Cl)cc1 ZINC000052664961 522542638 /nfs/dbraw/zinc/54/26/38/522542638.db2.gz AMXAXMIJDGGVNT-LBPRGKRZSA-N 1 0 255.789 3.886 10 0 CHAERO C[C@H](C[N@@H+]1CCSC2(CCC2)CC1)C(F)(F)F ZINC000334732611 534069964 /nfs/dbraw/zinc/06/99/64/534069964.db2.gz KYFRHRUFCONFHL-SNVBAGLBSA-N 1 0 267.360 3.546 10 0 CHAERO CC(C)n1c2cc(F)ccc2nc1[C@H]([NH3+])C(C)(C)C ZINC000052125044 517496945 /nfs/dbraw/zinc/49/69/45/517496945.db2.gz MFWNZWPUPVSHKT-ZDUSSCGKSA-N 1 0 263.360 3.802 10 0 CHAERO C[C@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c2ccsc2S1 ZINC000268869347 518185005 /nfs/dbraw/zinc/18/50/05/518185005.db2.gz IISWCORYOCJJDC-DLOVCJGASA-N 1 0 285.478 3.670 10 0 CHAERO CC(C)C[C@@H]1C[NH2+]CCN1Cc1ccc(C(C)(C)C)cc1 ZINC000062705197 519273776 /nfs/dbraw/zinc/27/37/76/519273776.db2.gz IIFHKTBIUUBMEA-GOSISDBHSA-N 1 0 288.479 3.804 10 0 CHAERO CC(C)C[C@H]1CN(Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062671516 519415882 /nfs/dbraw/zinc/41/58/82/519415882.db2.gz BRHHBFBHZMCWKS-HNNXBMFYSA-N 1 0 280.843 3.550 10 0 CHAERO CC(C)CCCOc1cc(C[NH2+]CC(C)C)ccn1 ZINC000051541626 519642887 /nfs/dbraw/zinc/64/28/87/519642887.db2.gz ZELVFRXZBQNXQR-UHFFFAOYSA-N 1 0 264.413 3.642 10 0 CHAERO CC(C)CCOCc1occc1C[NH2+]C(C)(C)C ZINC000052624530 519669261 /nfs/dbraw/zinc/66/92/61/519669261.db2.gz JQTDZLKHDVBEBI-UHFFFAOYSA-N 1 0 253.386 3.730 10 0 CHAERO CC(C)[NH2+]CC1(OC(C)C)CCC(C(C)C)CC1 ZINC000050483750 519720118 /nfs/dbraw/zinc/72/01/18/519720118.db2.gz VZXCURSEWKLIMB-UHFFFAOYSA-N 1 0 255.446 3.994 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2ccccc2C(C)C)C1 ZINC000053011049 519725051 /nfs/dbraw/zinc/72/50/51/519725051.db2.gz PEOHTOTWWSEFOS-OAHLLOKOSA-N 1 0 260.425 3.634 10 0 CHAERO CC(C)[NH2+]C[C@]1(OC2CCCC2)CCC[C@@H](C)C1 ZINC000050504145 519726092 /nfs/dbraw/zinc/72/60/92/519726092.db2.gz BQNZWXYVNOYZJE-ZBFHGGJFSA-N 1 0 253.430 3.893 10 0 CHAERO CC(C)C[NH2+]C[C@H]1CCN(c2cccc3ccccc32)C1 ZINC000053010606 519746144 /nfs/dbraw/zinc/74/61/44/519746144.db2.gz YLYWUSKEXPFRGO-MRXNPFEDSA-N 1 0 282.431 3.912 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@]1(C)c1cccc(Cl)c1 ZINC000054598252 519746758 /nfs/dbraw/zinc/74/67/58/519746758.db2.gz DVLHVKZKENCNQY-UKRRQHHQSA-N 1 0 251.801 3.863 10 0 CHAERO CC(C)C[NH2+]Cc1cnc(-c2ccccc2Cl)nc1 ZINC000054856592 519748473 /nfs/dbraw/zinc/74/84/73/519748473.db2.gz SKLNHQLDWAHANG-UHFFFAOYSA-N 1 0 275.783 3.543 10 0 CHAERO CC(C)[C@@H]1CCc2nc([C@@H]3CCCC[NH2+]3)sc2C1 ZINC000054556893 519803593 /nfs/dbraw/zinc/80/35/93/519803593.db2.gz ODEWLEPAFFSKES-YPMHNXCESA-N 1 0 264.438 3.719 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000049199344 519814513 /nfs/dbraw/zinc/81/45/13/519814513.db2.gz BOYISWCNYLUONP-AWEZNQCLSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000049195596 519814740 /nfs/dbraw/zinc/81/47/40/519814740.db2.gz VYIGZKOPCWLEHD-DOMZBBRYSA-N 1 0 268.832 3.577 10 0 CHAERO CCC1CCC(C[NH2+]C2CC2)(OCC2CC2)CC1 ZINC000050485575 519851895 /nfs/dbraw/zinc/85/18/95/519851895.db2.gz IGQBDEPXXOQENF-UHFFFAOYSA-N 1 0 251.414 3.504 10 0 CHAERO CCC1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1 ZINC000055002092 519859922 /nfs/dbraw/zinc/85/99/22/519859922.db2.gz JSGPOTZZQLCEIB-UHFFFAOYSA-N 1 0 281.469 3.526 10 0 CHAERO CCCC1CC[NH+]([C@H](CN)c2sccc2C)CC1 ZINC000050893075 519903658 /nfs/dbraw/zinc/90/36/58/519903658.db2.gz DTFZFWMNTPMADC-CQSZACIVSA-N 1 0 266.454 3.568 10 0 CHAERO CC[NH2+]CC1(Cc2cccc(OC)c2)CCCCC1 ZINC000054654837 519913763 /nfs/dbraw/zinc/91/37/63/519913763.db2.gz DMQFRJKOAOYENB-UHFFFAOYSA-N 1 0 261.409 3.798 10 0 CHAERO CCC[NH2+]C[C@@H](CCOCC)Cc1cccc(Cl)c1 ZINC000052977720 519921013 /nfs/dbraw/zinc/92/10/13/519921013.db2.gz YTALZMVUSBNKBS-HNNXBMFYSA-N 1 0 283.843 3.925 10 0 CHAERO CC(C)n1c2c(cccc2Cl)nc1[C@H]([NH3+])C1CC1 ZINC000054502119 519925359 /nfs/dbraw/zinc/92/53/59/519925359.db2.gz FHMPVJRSAIUQBD-GFCCVEGCSA-N 1 0 263.772 3.680 10 0 CHAERO CC(C)n1c2ccc(Cl)cc2nc1[C@@]1(C)CC[NH2+]C1 ZINC000062914993 519925863 /nfs/dbraw/zinc/92/58/63/519925863.db2.gz HAMSTLLUBVQKKY-HNNXBMFYSA-N 1 0 277.799 3.522 10 0 CHAERO CCC[NH2+]C[C@@](C)(CC)Cc1ccc(OC)c(F)c1 ZINC000054660763 519929684 /nfs/dbraw/zinc/92/96/84/519929684.db2.gz IUJYNFPQQQZWKN-INIZCTEOSA-N 1 0 267.388 3.793 10 0 CHAERO CCC[NH2+]C[C@H](CC)Oc1ccc(OCCC)cc1 ZINC000052695143 519931339 /nfs/dbraw/zinc/93/13/39/519931339.db2.gz PJUHMWUEPXPPMK-AWEZNQCLSA-N 1 0 265.397 3.632 10 0 CHAERO CCC[NH2+]C[C@H](c1ccccc1)N1CCCCCC1 ZINC000052382113 519934884 /nfs/dbraw/zinc/93/48/84/519934884.db2.gz WFRWXFMZBMYFPR-QGZVFWFLSA-N 1 0 260.425 3.603 10 0 CHAERO CC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000054591944 519955948 /nfs/dbraw/zinc/95/59/48/519955948.db2.gz RCFXHTKTZQTVRW-QWHCGFSZSA-N 1 0 257.299 3.593 10 0 CHAERO CC[NH2+]C[C@H](Cc1cccc(OC)c1)C[C@@H](C)CC ZINC000052978411 519972557 /nfs/dbraw/zinc/97/25/57/519972557.db2.gz IPQMVDGUBDWCSV-HOCLYGCPSA-N 1 0 263.425 3.900 10 0 CHAERO CC[NH2+]C[C@H](O[C@@H](C)CC(C)C)c1cccc(F)c1 ZINC000050488818 519974495 /nfs/dbraw/zinc/97/44/95/519974495.db2.gz MMPFVFRCHKXHGL-BBRMVZONSA-N 1 0 267.388 3.928 10 0 CHAERO CC[NH2+]C[C@H](Oc1ccc(Cl)cc1C)C(C)C ZINC000052677575 519976446 /nfs/dbraw/zinc/97/64/46/519976446.db2.gz CAQCECLLRGHJKI-AWEZNQCLSA-N 1 0 255.789 3.661 10 0 CHAERO CC[NH2+]Cc1ccc(OCC(C)C)c(Br)c1 ZINC000062701230 520000122 /nfs/dbraw/zinc/00/01/22/520000122.db2.gz ILOHAZWGZOYUQH-UHFFFAOYSA-N 1 0 286.213 3.593 10 0 CHAERO CCC[NH2+][C@@H]1CCCC[C@@H]1n1ncc2ccccc21 ZINC000050525626 520019446 /nfs/dbraw/zinc/01/94/46/520019446.db2.gz ONLUGFCBPGKGKP-ZBFHGGJFSA-N 1 0 257.381 3.520 10 0 CHAERO CCC[NH2+][C@H](CCOC)c1ccc(OCCC)cc1 ZINC000055264240 520077922 /nfs/dbraw/zinc/07/79/22/520077922.db2.gz LQXPDXUPXKXHKV-MRXNPFEDSA-N 1 0 265.397 3.553 10 0 CHAERO CCC[NH2+][C@H](c1ccc(CC)cc1)C1CCOCC1 ZINC000061672057 520088667 /nfs/dbraw/zinc/08/86/67/520088667.db2.gz CQZHQPOTRHEZSV-QGZVFWFLSA-N 1 0 261.409 3.716 10 0 CHAERO CCC[NH2+][C@H](c1ccncc1)c1cc(F)ccc1C ZINC000055223223 520090673 /nfs/dbraw/zinc/09/06/73/520090673.db2.gz YYATVGNIZJFOMU-MRXNPFEDSA-N 1 0 258.340 3.618 10 0 CHAERO CCCCCN(C)[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052454976 520155476 /nfs/dbraw/zinc/15/54/76/520155476.db2.gz KHGSPYQGUKHSBT-QGZVFWFLSA-N 1 0 262.441 3.848 10 0 CHAERO CCCCC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062664757 520183191 /nfs/dbraw/zinc/18/31/91/520183191.db2.gz SXBOAYXLRSLDBB-IRXDYDNUSA-N 1 0 268.489 3.911 10 0 CHAERO CCCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062668269 520183707 /nfs/dbraw/zinc/18/37/07/520183707.db2.gz CJIZSQCWLZPTFA-QZTJIDSGSA-N 1 0 274.452 3.848 10 0 CHAERO CC[NH2+][C@H](c1ccc(F)cc1C)c1ncccc1C ZINC000055227305 520207645 /nfs/dbraw/zinc/20/76/45/520207645.db2.gz DDADISBUCPRTBD-MRXNPFEDSA-N 1 0 258.340 3.536 10 0 CHAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1cncc(F)c1 ZINC000049576168 520208725 /nfs/dbraw/zinc/20/87/25/520208725.db2.gz WRNHOVYGRPQZBM-CQSZACIVSA-N 1 0 264.731 3.573 10 0 CHAERO CC[NH2+][C@H]1CCC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703832 520216288 /nfs/dbraw/zinc/21/62/88/520216288.db2.gz SRPVKKDFWQJMCY-STQMWFEESA-N 1 0 273.298 3.831 10 0 CHAERO CCCCC[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1F ZINC000061561169 520291577 /nfs/dbraw/zinc/29/15/77/520291577.db2.gz SGGFJYJVBFYGQK-CYBMUJFWSA-N 1 0 269.360 3.684 10 0 CHAERO CCCOc1ccc(O[C@@H](C)C[NH2+]C(C)(C)C)cc1 ZINC000052695118 520410240 /nfs/dbraw/zinc/41/02/40/520410240.db2.gz KMTNHNKDTQREPO-ZDUSSCGKSA-N 1 0 265.397 3.631 10 0 CHAERO CCCOc1ccc([C@@H]2CC[NH2+][C@H]2CC(C)C)cc1 ZINC000054929193 520421637 /nfs/dbraw/zinc/42/16/37/520421637.db2.gz LPJXPTHHSAAQGK-IRXDYDNUSA-N 1 0 261.409 3.967 10 0 CHAERO CCCOc1ccccc1O[C@H](C)C[NH2+]C(C)(C)C ZINC000052649837 520485339 /nfs/dbraw/zinc/48/53/39/520485339.db2.gz UTEWWHWROBVZBY-CYBMUJFWSA-N 1 0 265.397 3.631 10 0 CHAERO CCC[C@@H](C)N(C)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054904274 520649037 /nfs/dbraw/zinc/64/90/37/520649037.db2.gz SQTAYJDAHHTMQV-LLVKDONJSA-N 1 0 269.458 3.656 10 0 CHAERO CCC[C@@H](C)[NH2+]C[C@H](C)Oc1ccccc1OCC ZINC000053565065 520665925 /nfs/dbraw/zinc/66/59/25/520665925.db2.gz LFIMCSPKQDLRGT-KGLIPLIRSA-N 1 0 265.397 3.631 10 0 CHAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)n1ncc2ccccc21 ZINC000050524736 520771413 /nfs/dbraw/zinc/77/14/13/520771413.db2.gz GEKCGXKGUZCLRQ-HUUCEWRRSA-N 1 0 259.397 3.766 10 0 CHAERO CCC[C@@](C)(CCOCCC(C)C)C[NH2+]C1CC1 ZINC000054657142 520908938 /nfs/dbraw/zinc/90/89/38/520908938.db2.gz QXWMUTGOYTVDHE-INIZCTEOSA-N 1 0 255.446 3.998 10 0 CHAERO CCC[C@H](C)[NH2+]C[C@H](C)Sc1ccc(OC)cc1 ZINC000053607253 521060038 /nfs/dbraw/zinc/06/00/38/521060038.db2.gz ZARQCYBJLLXANG-STQMWFEESA-N 1 0 267.438 3.954 10 0 CHAERO CCCC[C@H](C)[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000050887390 521148540 /nfs/dbraw/zinc/14/85/40/521148540.db2.gz PIOPCILJGVCVNT-JTQLQIEISA-N 1 0 265.426 3.681 10 0 CHAERO CCC[C@H]1CCC(=O)[C@H](C[NH+](CCC)CCC)C1 ZINC000053925392 521200860 /nfs/dbraw/zinc/20/08/60/521200860.db2.gz XQYANVXKLLTEGM-GJZGRUSLSA-N 1 0 253.430 3.894 10 0 CHAERO CCOc1ccc([C@@H](C[NH3+])Nc2cccc(C)c2)cc1 ZINC000057565586 521229597 /nfs/dbraw/zinc/22/95/97/521229597.db2.gz FYKCDCUAVDHUGW-QGZVFWFLSA-N 1 0 270.376 3.506 10 0 CHAERO CCC(C)(C)[NH2+]CCSc1cc(F)ccc1F ZINC000053622348 521350455 /nfs/dbraw/zinc/35/04/55/521350455.db2.gz PXSSGPOLBMLZTD-UHFFFAOYSA-N 1 0 259.365 3.835 10 0 CHAERO CCOc1cccc(OCCCCC[NH2+]C(C)C)c1 ZINC000052594217 521402416 /nfs/dbraw/zinc/40/24/16/521402416.db2.gz JLPIIYHPDAXNBA-UHFFFAOYSA-N 1 0 265.397 3.632 10 0 CHAERO CCC(CC)(C[NH2+]C(C)(C)C)Cc1cscn1 ZINC000054658885 521439930 /nfs/dbraw/zinc/43/99/30/521439930.db2.gz DLCSYZBOFXQYID-UHFFFAOYSA-N 1 0 254.443 3.880 10 0 CHAERO CCCc1nc(N(CC)CC)sc1C[NH2+]C(C)(C)C ZINC000054995213 521530424 /nfs/dbraw/zinc/53/04/24/521530424.db2.gz BPQRGILIYCMYFU-UHFFFAOYSA-N 1 0 283.485 3.830 10 0 CHAERO CCCc1nc(N2CCCC[C@@H]2C)sc1C[NH2+]C(C)C ZINC000054995262 521530500 /nfs/dbraw/zinc/53/05/00/521530500.db2.gz PIRJDAVKFWHBBU-ZDUSSCGKSA-N 1 0 295.496 3.972 10 0 CHAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(Cl)cc1Cl ZINC000054627323 521956675 /nfs/dbraw/zinc/95/66/75/521956675.db2.gz WDBMPHCBLDFGAO-YOGCLGLASA-N 1 0 285.218 3.713 10 0 CHAERO CC[C@@H](C)C[C@@H](C[NH2+]CCOC)Cc1ccccc1 ZINC000054659726 522022123 /nfs/dbraw/zinc/02/21/23/522022123.db2.gz CCLRBCLPUGSXAX-NVXWUHKLSA-N 1 0 263.425 3.518 10 0 CHAERO C[NH2+][C@@H](C)c1cnc(C2(c3ccccc3)CCC2)s1 ZINC000062782015 522336263 /nfs/dbraw/zinc/33/62/63/522336263.db2.gz OJXSUBFEQFZSAI-LBPRGKRZSA-N 1 0 272.417 3.894 10 0 CHAERO C[NH2+][C@@H](Cc1nc(C)cs1)c1ccccc1Cl ZINC000055268273 522364325 /nfs/dbraw/zinc/36/43/25/522364325.db2.gz TYJDJVCVCPPWQX-LBPRGKRZSA-N 1 0 266.797 3.608 10 0 CHAERO C[NH2+][C@@H](c1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000055270533 522372733 /nfs/dbraw/zinc/37/27/33/522372733.db2.gz CPQVTXONOFGRCO-AIWVUANBSA-N 1 0 256.393 3.559 10 0 CHAERO C[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231489 522380404 /nfs/dbraw/zinc/38/04/04/522380404.db2.gz APOWJCFUARJCLP-QWHCGFSZSA-N 1 0 257.299 3.951 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1F)c1ccc(F)cc1C ZINC000055226113 522472770 /nfs/dbraw/zinc/47/27/70/522472770.db2.gz WRQMVSNSXKAQLV-MRXNPFEDSA-N 1 0 261.315 3.776 10 0 CHAERO CCc1[nH+]c2cc(N)ccc2n1[C@@H]1CCC[C@@H](C)C1 ZINC000052852527 522485497 /nfs/dbraw/zinc/48/54/97/522485497.db2.gz RPFDRMCQJKVCEE-DGCLKSJQSA-N 1 0 257.381 3.932 10 0 CHAERO C[NH2+][C@H]1CCCCc2c3ccccc3c(OC)cc21 ZINC000054742309 522489560 /nfs/dbraw/zinc/48/95/60/522489560.db2.gz YLIQDQOJDKKEEK-INIZCTEOSA-N 1 0 255.361 3.835 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)C(C)C ZINC000037236319 522914400 /nfs/dbraw/zinc/91/44/00/522914400.db2.gz FJDGYBLHWDMTNR-BLLLJJGKSA-N 1 0 262.397 3.730 10 0 CHAERO CC[C@H]1CCCCN1c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000054996536 523031526 /nfs/dbraw/zinc/03/15/26/523031526.db2.gz UALCNRQRUMGHRX-ZDUSSCGKSA-N 1 0 281.469 3.718 10 0 CHAERO CC[C@H]1CCCN(CC[NH2+][C@@H](C)c2cccs2)C1 ZINC000053383333 523089453 /nfs/dbraw/zinc/08/94/53/523089453.db2.gz XWHSSZBFWNCQOS-KBPBESRZSA-N 1 0 266.454 3.521 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1OC1(C[NH3+])CCC(C)CC1 ZINC000050491658 523201921 /nfs/dbraw/zinc/20/19/21/523201921.db2.gz YLKYWNGKDHXIMK-FYRZTWFESA-N 1 0 253.430 3.879 10 0 CHAERO CC[C@@H]1CCCN1c1nc(C)c(C[NH2+]CC(C)C)s1 ZINC000054968826 523270797 /nfs/dbraw/zinc/27/07/97/523270797.db2.gz GCCARWRLJAHBNZ-CYBMUJFWSA-N 1 0 281.469 3.576 10 0 CHAERO CC[C@](C)(C[NH2+]C)Cc1ccc(OC(F)(F)F)cc1 ZINC000054660220 523464142 /nfs/dbraw/zinc/46/41/42/523464142.db2.gz HZJBSHQZOXGFKV-ZDUSSCGKSA-N 1 0 275.314 3.763 10 0 CHAERO CC[C@@](C)(O)C[NH+]1CCC(c2cccc3cnccc32)CC1 ZINC000365103559 523663341 /nfs/dbraw/zinc/66/33/41/523663341.db2.gz ZUIHUHGPKAEOHP-LJQANCHMSA-N 1 0 298.430 3.575 10 0 CHAERO CC[C@H](C)C[C@@H](C[NH2+]CCOC)Cc1ccccc1 ZINC000054659728 523898194 /nfs/dbraw/zinc/89/81/94/523898194.db2.gz CCLRBCLPUGSXAX-DOTOQJQBSA-N 1 0 263.425 3.518 10 0 CHAERO C[C@H]1CCC[C@@H](OCC[NH2+]C2CCCCCC2)C1 ZINC000053569382 524152516 /nfs/dbraw/zinc/15/25/16/524152516.db2.gz ADAWQHZOVCQWAA-GOEBONIOSA-N 1 0 253.430 3.894 10 0 CHAERO COc1ccc(Cl)cc1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000062625197 524254089 /nfs/dbraw/zinc/25/40/89/524254089.db2.gz MJAGKKLSNXCPBT-ZYHUDNBSSA-N 1 0 253.773 3.581 10 0 CHAERO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000157539129 524269065 /nfs/dbraw/zinc/26/90/65/524269065.db2.gz IWAWZSRNIWWRDV-MNOVXSKESA-N 1 0 283.828 3.727 10 0 CHAERO C[C@@H]1CCC[C@@H](OCC[NH2+]CC2CCCCC2)C1 ZINC000053569173 524318074 /nfs/dbraw/zinc/31/80/74/524318074.db2.gz UJHLGNLIXMLMAH-GDBMZVCRSA-N 1 0 253.430 3.752 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c(C)c1 ZINC000051992021 524335117 /nfs/dbraw/zinc/33/51/17/524335117.db2.gz WSKMSGDOBRTNKR-JYJNAYRXSA-N 1 0 261.409 3.566 10 0 CHAERO Cc1cccc(C[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000048329816 524440869 /nfs/dbraw/zinc/44/08/69/524440869.db2.gz SHKDHZCJHCKFNF-OAGGEKHMSA-N 1 0 258.409 3.839 10 0 CHAERO C[C@@H](CCC[NH2+]C(C)(C)C)OCc1cccs1 ZINC000052706346 524456784 /nfs/dbraw/zinc/45/67/84/524456784.db2.gz LWOVFBHSYCHROY-LBPRGKRZSA-N 1 0 255.427 3.822 10 0 CHAERO C[C@@H](CCC[NH2+]C(C)(C)C)Oc1ccc(F)c(F)c1 ZINC000052700648 524458354 /nfs/dbraw/zinc/45/83/54/524458354.db2.gz ZYXKJRGFIDHADU-NSHDSACASA-N 1 0 271.351 3.900 10 0 CHAERO C[C@H]1CN(Cc2ccc(Cl)cc2)c2ccccc2C[NH2+]1 ZINC000062673115 524618168 /nfs/dbraw/zinc/61/81/68/524618168.db2.gz NTLFQPHOGYVYPE-ZDUSSCGKSA-N 1 0 286.806 3.838 10 0 CHAERO C[C@H]1C[NH2+]C(C)(C)CN1c1ccc(C(C)(C)C)cc1 ZINC000058457831 524690245 /nfs/dbraw/zinc/69/02/45/524690245.db2.gz NCNNUTIEDQZYOK-ZDUSSCGKSA-N 1 0 260.425 3.561 10 0 CHAERO COc1ccccc1[C@H]([NH3+])C(C)(C)c1ccccc1 ZINC000062773147 524792209 /nfs/dbraw/zinc/79/22/09/524792209.db2.gz BXSRHSOMOODHNV-INIZCTEOSA-N 1 0 255.361 3.673 10 0 CHAERO Cc1ccc(F)c([C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000055205879 524834882 /nfs/dbraw/zinc/83/48/82/524834882.db2.gz YVRKPCPJCQUAJK-AWEZNQCLSA-N 1 0 294.167 3.945 10 0 CHAERO C[C@H]([NH3+])c1ccc(Oc2cc(F)cc(F)c2)c(F)c1 ZINC000054933219 524867377 /nfs/dbraw/zinc/86/73/77/524867377.db2.gz ZOLYTMPZXBTCIN-QMMMGPOBSA-N 1 0 267.250 3.916 10 0 CHAERO Cc1ccc(N2CC[C@H](C[NH2+]CC(C)C)C2)cc1Cl ZINC000053010799 524973286 /nfs/dbraw/zinc/97/32/86/524973286.db2.gz RZSXYVIZDJHQCJ-CQSZACIVSA-N 1 0 280.843 3.720 10 0 CHAERO C[C@@H]([NH3+])Cc1nc(-c2cccc3ccccc32)cs1 ZINC000054160874 524999379 /nfs/dbraw/zinc/99/93/79/524999379.db2.gz IBXFHNDCDSVSIP-LLVKDONJSA-N 1 0 268.385 3.853 10 0 CHAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000063191435 525008853 /nfs/dbraw/zinc/00/88/53/525008853.db2.gz FLUAKXZLWQFZTB-MFKMUULPSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1OCCc1cccs1 ZINC000049585765 525025017 /nfs/dbraw/zinc/02/50/17/525025017.db2.gz IBBFIHWPRYBKLO-SNVBAGLBSA-N 1 0 265.353 3.528 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000037074359 525159391 /nfs/dbraw/zinc/15/93/91/525159391.db2.gz VORINTKLCATZIC-CXAGYDPISA-N 1 0 283.371 3.870 10 0 CHAERO Cc1ccccc1CSc1ccc(C(N)=[NH2+])cc1 ZINC000054964121 525184776 /nfs/dbraw/zinc/18/47/76/525184776.db2.gz XEWDBBSPVQWBAP-UHFFFAOYSA-N 1 0 256.374 3.571 10 0 CHAERO Cc1ccc(NCC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC000052205167 525279908 /nfs/dbraw/zinc/27/99/08/525279908.db2.gz BXQVVSAQOYEWFD-CQSZACIVSA-N 1 0 266.816 3.935 10 0 CHAERO C[C@]1(c2ccccc2C(F)(F)F)C[C@@H]1C[NH2+]C1CC1 ZINC000054596454 525331340 /nfs/dbraw/zinc/33/13/40/525331340.db2.gz RNRGBBBSFWHQAL-YGRLFVJLSA-N 1 0 269.310 3.735 10 0 CHAERO Cc1ccccc1[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000125764360 525406291 /nfs/dbraw/zinc/40/62/91/525406291.db2.gz ZGDGSJZIRXFOIJ-HNNXBMFYSA-N 1 0 283.419 3.669 10 0 CHAERO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000127663317 525406795 /nfs/dbraw/zinc/40/67/95/525406795.db2.gz HNMMPYQPNAVCSN-WMLDXEAASA-N 1 0 269.392 3.627 10 0 CHAERO Cc1cc([C@H]([NH3+])c2nc3c(s2)CCCC3)ccc1F ZINC000050559371 525536268 /nfs/dbraw/zinc/53/62/68/525536268.db2.gz VHWSMIDVQBYTPZ-AWEZNQCLSA-N 1 0 276.380 3.518 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000248744820 525606246 /nfs/dbraw/zinc/60/62/46/525606246.db2.gz CUEXPFRCJCIZFS-KXUCPTDWSA-N 1 0 259.802 3.620 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(Cl)cc1 ZINC000049525517 525634009 /nfs/dbraw/zinc/63/40/09/525634009.db2.gz YZUBHRZIFKBTAE-DFBGVHRSSA-N 1 0 267.800 3.684 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1sccc1Br ZINC000052274782 525639581 /nfs/dbraw/zinc/63/95/81/525639581.db2.gz YPCDVGAOFDQDKW-FJXKBIBVSA-N 1 0 260.200 3.570 10 0 CHAERO C[C@@H]1[C@@H](C)CCCN1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000050563401 525641518 /nfs/dbraw/zinc/64/15/18/525641518.db2.gz ONVRSLMNONUNPG-AXFHLTTASA-N 1 0 272.845 3.522 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](CC(N)=S)c1ccccc1 ZINC000055025470 525641952 /nfs/dbraw/zinc/64/19/52/525641952.db2.gz JKLDGKGVKOZQFI-GUTXKFCHSA-N 1 0 276.449 3.524 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(O)c1 ZINC000037074375 525647572 /nfs/dbraw/zinc/64/75/72/525647572.db2.gz KHPNZMFDOHISIG-MLGOLLRUSA-N 1 0 269.344 3.567 10 0 CHAERO Cc1ccsc1[C@@H]([NH3+])c1cccc(OC(C)C)c1 ZINC000061666335 525873484 /nfs/dbraw/zinc/87/34/84/525873484.db2.gz GYKJFLFLBDQETH-AWEZNQCLSA-N 1 0 261.390 3.892 10 0 CHAERO C[C@@H](c1ccc(Cl)cc1)N(C)c1cc(N)cc[nH+]1 ZINC000062013881 526043671 /nfs/dbraw/zinc/04/36/71/526043671.db2.gz OTXAHVYRFWIUQJ-JTQLQIEISA-N 1 0 261.756 3.515 10 0 CHAERO C[C@H](c1nc(-c2ccsc2)no1)[C@H]([NH3+])c1ccccc1 ZINC000157948514 526172611 /nfs/dbraw/zinc/17/26/11/526172611.db2.gz WMRDJXZEWCGKEQ-GWCFXTLKSA-N 1 0 285.372 3.602 10 0 CHAERO C[C@H]1CCCC[C@@H]1N(C)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788934 526255865 /nfs/dbraw/zinc/25/58/65/526255865.db2.gz BBLCQFOBKSBZKQ-GWCFXTLKSA-N 1 0 279.815 3.639 10 0 CHAERO FC1(F)CC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000290267610 526273521 /nfs/dbraw/zinc/27/35/21/526273521.db2.gz LDXYPICSNOTLAE-CQSZACIVSA-N 1 0 276.330 3.933 10 0 CHAERO Cc1nn([C@@H](C)CCC[NH2+]C(C)(C)C)c(C)c1C ZINC000052591547 526301830 /nfs/dbraw/zinc/30/18/30/526301830.db2.gz RSNGDFSIIXOWRR-NSHDSACASA-N 1 0 251.418 3.538 10 0 CHAERO c1[nH]c2ccccc2c1C1CC[NH+](Cc2ccccn2)CC1 ZINC000248088131 526392865 /nfs/dbraw/zinc/39/28/65/526392865.db2.gz KVSDAMWUSQCDPR-UHFFFAOYSA-N 1 0 291.398 3.943 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000052274793 526661060 /nfs/dbraw/zinc/66/10/60/526661060.db2.gz VZYIWYKUZYFDHK-NGZCFLSTSA-N 1 0 252.427 3.808 10 0 CHAERO Cc1nc(C2CCCCC2)sc1C[NH2+]C(C)C ZINC000052330662 526775768 /nfs/dbraw/zinc/77/57/68/526775768.db2.gz XFNYYKOFJUMLAT-UHFFFAOYSA-N 1 0 252.427 3.997 10 0 CHAERO Cc1oc(COc2cc(Cl)ccc2Cl)cc1C[NH3+] ZINC000052652637 526776299 /nfs/dbraw/zinc/77/62/99/526776299.db2.gz GYUXNYMGJNLJOW-UHFFFAOYSA-N 1 0 286.158 3.933 10 0 CHAERO NC(=[NH2+])c1ccc(Cl)cc1OC1CCCCCC1 ZINC000062789172 526822397 /nfs/dbraw/zinc/82/23/97/526822397.db2.gz DATBMBHAEQNOOW-UHFFFAOYSA-N 1 0 266.772 3.726 10 0 CHAERO [NH2+]=C(Nc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000062997584 526828963 /nfs/dbraw/zinc/82/89/63/526828963.db2.gz XFRPGIRXYWSUGJ-UHFFFAOYSA-N 1 0 257.381 3.866 10 0 CHAERO Clc1cc(Cl)cc(OCCC[C@@H]2CCC[NH2+]2)c1 ZINC000052765274 526928120 /nfs/dbraw/zinc/92/81/20/526928120.db2.gz LILGDIQWMVLLJN-LBPRGKRZSA-N 1 0 274.191 3.904 10 0 CHAERO [NH3+]Cc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000062938348 527250258 /nfs/dbraw/zinc/25/02/58/527250258.db2.gz HVQRSFDXWVPPRC-UHFFFAOYSA-N 1 0 266.369 3.936 10 0 CHAERO [NH3+][C@@H](c1cccc(Cl)c1)c1ccc2ncccc2c1 ZINC000062802094 527338596 /nfs/dbraw/zinc/33/85/96/527338596.db2.gz KPXZDOCRRJWXQX-INIZCTEOSA-N 1 0 268.747 3.936 10 0 CHAERO [NH3+][C@@H](c1ccccc1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054682007 527339360 /nfs/dbraw/zinc/33/93/60/527339360.db2.gz XCSGDKTTZXDNCM-KBPBESRZSA-N 1 0 282.170 3.727 10 0 CHAERO [NH3+][C@H](CCOc1ccc(Br)cc1)C1CCCC1 ZINC000049599789 527385745 /nfs/dbraw/zinc/38/57/45/527385745.db2.gz UQELAQPLOOSPJP-CQSZACIVSA-N 1 0 298.224 3.736 10 0 CHAERO [NH3+][C@H]1CCCc2nc(-c3ccc(F)c(Cl)c3)sc21 ZINC000062792771 527410366 /nfs/dbraw/zinc/41/03/66/527410366.db2.gz JSUMLSQBPNTJKF-JTQLQIEISA-N 1 0 282.771 3.939 10 0 CHAERO Cc1ncsc1CC[C@H](C[NH3+])Cc1ccccc1Cl ZINC000052948560 527493041 /nfs/dbraw/zinc/49/30/41/527493041.db2.gz YFIVNPMCSFIGHV-LBPRGKRZSA-N 1 0 294.851 3.855 10 0 CHAERO Nc1ccc(SCCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000052782971 527501074 /nfs/dbraw/zinc/50/10/74/527501074.db2.gz OITJWOVMXYVFPU-LLVKDONJSA-N 1 0 270.829 3.547 10 0 CHAERO FC(F)(F)c1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070224 527681992 /nfs/dbraw/zinc/68/19/92/527681992.db2.gz BNVLXBFWAUNURT-AWEZNQCLSA-N 1 0 293.288 3.929 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(SC)cc1 ZINC000083587485 535825360 /nfs/dbraw/zinc/82/53/60/535825360.db2.gz ULWFMHPHWVBCLY-CZUORRHYSA-N 1 0 278.465 3.621 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(Cl)c1 ZINC000083493785 535825387 /nfs/dbraw/zinc/82/53/87/535825387.db2.gz QSFWZRRFJWXVPN-UKRRQHHQSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@H]1CN(c2c(Cl)cccc2Cl)[C@H](C)C[NH2+]1 ZINC000083536453 536159101 /nfs/dbraw/zinc/15/91/01/536159101.db2.gz CSXKDJDCGQGELU-ZJUUUORDSA-N 1 0 273.207 3.570 10 0 CHAERO Cc1[nH+]ccc(N2CCCCCC2)c1Br ZINC000667362417 566933435 /nfs/dbraw/zinc/93/34/35/566933435.db2.gz DVWJDTMDUWCGDE-UHFFFAOYSA-N 1 0 269.186 3.533 10 0 CHAERO Fc1ccccc1-c1nc2cccnc2n1-c1cc[nH+]cc1 ZINC000076046453 567029261 /nfs/dbraw/zinc/02/92/61/567029261.db2.gz CZNRKBTXBHPJMZ-UHFFFAOYSA-N 1 0 290.301 3.622 10 0 CHAERO C[NH+](C)CC[C@@H]1Cc2ccccc2Cc2ccccc21 ZINC000048524617 567091451 /nfs/dbraw/zinc/09/14/51/567091451.db2.gz UUVYXOYMQJPGNB-GOSISDBHSA-N 1 0 265.400 3.869 10 0 CHAERO CC[NH+](CC)C1(CC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000685961985 567210636 /nfs/dbraw/zinc/21/06/36/567210636.db2.gz ZXTHHCQGCCSTQL-UHFFFAOYSA-N 1 0 284.444 3.508 10 0 CHAERO C[C@H]([NH3+])c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000058825288 567217887 /nfs/dbraw/zinc/21/78/87/567217887.db2.gz AGUOOFKWNLIJSW-LBPRGKRZSA-N 1 0 268.335 3.848 10 0 CHAERO COCCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013722552 567867524 /nfs/dbraw/zinc/86/75/24/567867524.db2.gz GNIWFSQXCDFVJE-UHFFFAOYSA-N 1 0 297.757 3.865 10 0 CHAERO CCCn1cc(C[NH2+]Cc2ccccn2)c2ccccc21 ZINC000057353295 567895077 /nfs/dbraw/zinc/89/50/77/567895077.db2.gz LVFMJYZHSQKLDL-UHFFFAOYSA-N 1 0 279.387 3.736 10 0 CHAERO Clc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000057353423 567895134 /nfs/dbraw/zinc/89/51/34/567895134.db2.gz YZJCXHMKZBIOHE-UHFFFAOYSA-N 1 0 285.778 3.549 10 0 CHAERO CC(C)(C)OC(=O)Nc1c(C[NH3+])ccc2ccccc21 ZINC000725244938 567908283 /nfs/dbraw/zinc/90/82/83/567908283.db2.gz BUNFJTOAASNJBQ-UHFFFAOYSA-N 1 0 272.348 3.646 10 0 CHAERO C[C@@H]1CCC[C@H](c2cccc(C(=O)OC(C)(C)C)c2)[NH2+]1 ZINC000725270670 567924612 /nfs/dbraw/zinc/92/46/12/567924612.db2.gz PMMNFMWHAWMMRG-IUODEOHRSA-N 1 0 275.392 3.845 10 0 CHAERO C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1C ZINC000019777457 567944793 /nfs/dbraw/zinc/94/47/93/567944793.db2.gz JAAYSKJCVHFKNP-UHFFFAOYSA-N 1 0 275.779 3.947 10 0 CHAERO Clc1sccc1[C@H]1NCCc2sccc21 ZINC000397160441 570290025 /nfs/dbraw/zinc/29/00/25/570290025.db2.gz SYWGSFZKURFMEX-JTQLQIEISA-N 1 0 255.795 3.698 10 0 CHAERO C/C(=C\c1ccco1)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000014991211 570317629 /nfs/dbraw/zinc/31/76/29/570317629.db2.gz IPSXOGCQWCGCBY-YVGNARHYSA-N 1 0 283.371 3.966 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Cl)sc1Cl ZINC000367626615 1118055498 /nfs/dbraw/zinc/05/54/98/1118055498.db2.gz PLHYTFMADAESSB-MIBSWOBISA-N 1 0 292.231 3.598 10 0 CHAERO CC[NH2+]Cc1sc(CCc2ccccc2)nc1CC ZINC000082426290 178002451 /nfs/dbraw/zinc/00/24/51/178002451.db2.gz MXHNRTNHEQRECI-UHFFFAOYSA-N 1 0 274.433 3.600 10 0 CHAERO CCCc1nc(-c2ccncc2)sc1C[NH2+]C(C)C ZINC000082427304 178003170 /nfs/dbraw/zinc/00/31/70/178003170.db2.gz YNLBZTMTJLLSAN-UHFFFAOYSA-N 1 0 275.421 3.656 10 0 CHAERO CC[NH2+]Cc1sc(Cc2ccccc2)nc1C(C)C ZINC000082429553 178006815 /nfs/dbraw/zinc/00/68/15/178006815.db2.gz JMYCKHIFAIVCSG-UHFFFAOYSA-N 1 0 274.433 3.967 10 0 CHAERO CC(C)c1nc(-c2ccncc2)sc1C[NH2+]C1CC1 ZINC000082429831 178007552 /nfs/dbraw/zinc/00/75/52/178007552.db2.gz CQSFAYYHLHJSBR-UHFFFAOYSA-N 1 0 273.405 3.581 10 0 CHAERO CC(C)c1nc(N2CCC(C)CC2)sc1C[NH2+]C1CC1 ZINC000082434868 178012270 /nfs/dbraw/zinc/01/22/70/178012270.db2.gz XFNBXCWIHFUDKG-UHFFFAOYSA-N 1 0 293.480 3.755 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cccnc2)nc1C1CC1 ZINC000082435680 178013483 /nfs/dbraw/zinc/01/34/83/178013483.db2.gz JJIKZZBQLZBLGP-UHFFFAOYSA-N 1 0 273.405 3.582 10 0 CHAERO CC(C)(C)c1nc(-c2ccncc2)sc1C[NH2+]C1CC1 ZINC000082439283 178017586 /nfs/dbraw/zinc/01/75/86/178017586.db2.gz FAZHWSVGNMPKPE-UHFFFAOYSA-N 1 0 287.432 3.755 10 0 CHAERO CC[NH2+]Cc1sc(-c2cccnc2)nc1C(C)(C)C ZINC000082439223 178017640 /nfs/dbraw/zinc/01/76/40/178017640.db2.gz XYOOPPRRHXPPMO-UHFFFAOYSA-N 1 0 275.421 3.612 10 0 CHAERO CC(C)[NH2+]Cc1sc(C2CC2)nc1C(C)(C)C ZINC000082439909 178017703 /nfs/dbraw/zinc/01/77/03/178017703.db2.gz MXFRTOYHJCGDOR-UHFFFAOYSA-N 1 0 252.427 3.816 10 0 CHAERO CC(C)(C)c1nc(C2CCCCC2)sc1C[NH3+] ZINC000082440252 178018582 /nfs/dbraw/zinc/01/85/82/178018582.db2.gz HEOBHKLDZULYHH-UHFFFAOYSA-N 1 0 252.427 3.947 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccco2)nc1C(C)(C)C ZINC000082440575 178019791 /nfs/dbraw/zinc/01/97/91/178019791.db2.gz BBKZUVOTSLLZSP-UHFFFAOYSA-N 1 0 264.394 3.810 10 0 CHAERO COCc1nc(-c2ccccc2C)sc1C[NH2+]C(C)C ZINC000082441355 178021404 /nfs/dbraw/zinc/02/14/04/178021404.db2.gz DXDZEYJUKCIOFB-UHFFFAOYSA-N 1 0 290.432 3.763 10 0 CHAERO CC[NH2+][C@@H]1CC(CC)(CC)Oc2ccc(OC)cc21 ZINC000082508494 178073540 /nfs/dbraw/zinc/07/35/40/178073540.db2.gz PAGQXHQBCKIMGM-CQSZACIVSA-N 1 0 263.381 3.687 10 0 CHAERO CC[NH2+][C@@H]1CC(CC)(CC)Oc2cc(OC)ccc21 ZINC000082508432 178073760 /nfs/dbraw/zinc/07/37/60/178073760.db2.gz IMVONUDJTJPRSP-CQSZACIVSA-N 1 0 263.381 3.687 10 0 CHAERO CC[NH2+][C@H]1CC(CC)(CC)Oc2ccc(OC)cc21 ZINC000082508493 178073858 /nfs/dbraw/zinc/07/38/58/178073858.db2.gz PAGQXHQBCKIMGM-AWEZNQCLSA-N 1 0 263.381 3.687 10 0 CHAERO CC[NH+](CC)CCCN[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000082504840 178069096 /nfs/dbraw/zinc/06/90/96/178069096.db2.gz OQOAWKNWWZVKJV-MRXNPFEDSA-N 1 0 290.451 3.610 10 0 CHAERO CC(=O)[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000095764183 185026953 /nfs/dbraw/zinc/02/69/53/185026953.db2.gz HPIOOTFKTKCKLG-RTBURBONSA-N 1 0 279.383 3.839 10 0 CHAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccc(F)c(F)c2F)c1 ZINC000082708082 178216335 /nfs/dbraw/zinc/21/63/35/178216335.db2.gz GDDOCIYXCDAPLR-ZETCQYMHSA-N 1 0 269.241 3.930 10 0 CHAERO O=C(c1ccc(Cl)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000082722089 178237000 /nfs/dbraw/zinc/23/70/00/178237000.db2.gz LHIFEUOXODQZTL-LLVKDONJSA-N 1 0 273.763 3.676 10 0 CHAERO CC(C)C[C@@H]1[NH2+]CCc2c(Br)ccc(F)c21 ZINC000096806119 185114762 /nfs/dbraw/zinc/11/47/62/185114762.db2.gz BIVCPWUFDPHNNB-LBPRGKRZSA-N 1 0 286.188 3.821 10 0 CHAERO CC(C)[C@@H]1[NH2+]CCc2c(Cl)cc(Br)cc21 ZINC000096809462 185114814 /nfs/dbraw/zinc/11/48/14/185114814.db2.gz RVNXEHRHBIUOMJ-LBPRGKRZSA-N 1 0 288.616 3.945 10 0 CHAERO Cc1cc([C@@H]([NH3+])Cc2ccc(Br)cc2)co1 ZINC000096978591 185145091 /nfs/dbraw/zinc/14/50/91/185145091.db2.gz YIJHQBTWQNJXNU-ZDUSSCGKSA-N 1 0 280.165 3.593 10 0 CHAERO Cc1cc([C@@H]([NH3+])Cc2ccccc2Br)co1 ZINC000096978597 185145432 /nfs/dbraw/zinc/14/54/32/185145432.db2.gz IXXLBSLCFUDSBN-ZDUSSCGKSA-N 1 0 280.165 3.593 10 0 CHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CC)C1CCCCC1 ZINC000167881322 529750123 /nfs/dbraw/zinc/75/01/23/529750123.db2.gz YNGBEBLENMRZGC-CABCVRRESA-N 1 0 290.455 3.624 10 0 CHAERO CCC[NH+](CCC)[C@H]1Cc2cccc(O)c2C[C@H]1C ZINC000084707106 178917818 /nfs/dbraw/zinc/91/78/18/178917818.db2.gz RGZPLWVASVRKAR-CJNGLKHVSA-N 1 0 261.409 3.618 10 0 CHAERO CC[C@H]1CCCCN1c1cccc(Cl)c1CC[NH3+] ZINC000104276009 136526112 /nfs/dbraw/zinc/52/61/12/136526112.db2.gz PDXPTNJVGXDGDR-LBPRGKRZSA-N 1 0 266.816 3.610 10 0 CHAERO CCOc1cc(C)c(C[C@@H](CC)[NH2+]C)cc1Cl ZINC000098130230 185691195 /nfs/dbraw/zinc/69/11/95/185691195.db2.gz OXSQBWWUGNEWQT-GFCCVEGCSA-N 1 0 255.789 3.588 10 0 CHAERO CC[C@@H](Cc1cc(C(C)(C)C)c(OC)cc1C)[NH2+]C ZINC000098131089 185691712 /nfs/dbraw/zinc/69/17/12/185691712.db2.gz ZVIQTXZZCXUEMT-AWEZNQCLSA-N 1 0 263.425 3.842 10 0 CHAERO CC[NH2+]CCCc1ccc2sc(C(C)C)nc2c1 ZINC000098160264 185694563 /nfs/dbraw/zinc/69/45/63/185694563.db2.gz NCFUHKBEFYYJDC-UHFFFAOYSA-N 1 0 262.422 3.962 10 0 CHAERO C[C@@H]([NH3+])c1ccc(N2CCCc3ccccc32)cc1 ZINC000019872648 136579311 /nfs/dbraw/zinc/57/93/11/136579311.db2.gz CLRKERGNPKCJMH-CYBMUJFWSA-N 1 0 252.361 3.791 10 0 CHAERO CC[C@@H](C)[C@H](Cc1cc(Cl)ccc1OC)[NH2+]C ZINC000104227351 185936915 /nfs/dbraw/zinc/93/69/15/185936915.db2.gz OTAVHZVAZCIKAG-MFKMUULPSA-N 1 0 255.789 3.525 10 0 CHAERO CCN(CC(C)C)c1cccc(Cl)c1C[C@@H](C)[NH3+] ZINC000104269037 185949779 /nfs/dbraw/zinc/94/97/79/185949779.db2.gz OBTPFAMZSJGCDD-GFCCVEGCSA-N 1 0 268.832 3.712 10 0 CHAERO CCN(c1cccc(C)c1)c1ccccc1CC[NH3+] ZINC000104270837 185949977 /nfs/dbraw/zinc/94/99/77/185949977.db2.gz XACQJAYYXYEMCI-UHFFFAOYSA-N 1 0 254.377 3.654 10 0 CHAERO CCC[NH2+][C@@H](c1ncccn1)[C@H]1CCCC[C@@H]1CC ZINC000104386422 185987971 /nfs/dbraw/zinc/98/79/71/185987971.db2.gz GPVDCDCOHZVKDQ-SOUVJXGZSA-N 1 0 261.413 3.734 10 0 CHAERO CN[C@@H](CC[N@H+](C)C[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000104412245 185992659 /nfs/dbraw/zinc/99/26/59/185992659.db2.gz RGAHDZIPYOGDGF-NOLJZWGESA-N 1 0 280.843 3.578 10 0 CHAERO CC[NH2+]Cc1c(Cl)cccc1SCCCOC ZINC000104440692 186003254 /nfs/dbraw/zinc/00/32/54/186003254.db2.gz WONJHSGSUISLFO-UHFFFAOYSA-N 1 0 273.829 3.578 10 0 CHAERO C[C@@H]1CCC[C@@H](Sc2nc3sccn3c2CC[NH3+])C1 ZINC000104437503 186001400 /nfs/dbraw/zinc/00/14/00/186001400.db2.gz UDEGIUQXYBEAIO-GHMZBOCLSA-N 1 0 295.477 3.568 10 0 CHAERO CCC(CC)[C@@H](C)[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000104437331 186001670 /nfs/dbraw/zinc/00/16/70/186001670.db2.gz WSINCPDRMFFENI-LLVKDONJSA-N 1 0 279.453 3.927 10 0 CHAERO Cc1cccc(CSc2ccccc2CC[NH3+])c1 ZINC000104438547 186001924 /nfs/dbraw/zinc/00/19/24/186001924.db2.gz XNEIFBJTFWCFFA-UHFFFAOYSA-N 1 0 257.402 3.789 10 0 CHAERO CCC(CC)[C@@H](C)[NH2+]Cc1cc(OC)ccc1OC ZINC000104444442 186004416 /nfs/dbraw/zinc/00/44/16/186004416.db2.gz UOBJXMZGODBPAI-GFCCVEGCSA-N 1 0 265.397 3.618 10 0 CHAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000090770514 180038070 /nfs/dbraw/zinc/03/80/70/180038070.db2.gz ILCXYZOBAAKUCE-CYBMUJFWSA-N 1 0 253.773 3.512 10 0 CHAERO CC1(C[NH2+][C@@H]2CCCc3cc(O)ccc32)CCCC1 ZINC000104444794 186004845 /nfs/dbraw/zinc/00/48/45/186004845.db2.gz GLJRAUYKABBBMU-MRXNPFEDSA-N 1 0 259.393 3.940 10 0 CHAERO CCC[NH2+]C[C@@H](C)c1c(C)nc([C@@H](C)CC)nc1C ZINC000111275450 186387119 /nfs/dbraw/zinc/38/71/19/186387119.db2.gz CFEAZAKQCVSLBM-NWDGAFQWSA-N 1 0 263.429 3.710 10 0 CHAERO Brc1ccc2c(c1)C1(CCCCC1)C[NH2+]C2 ZINC000211572216 189688317 /nfs/dbraw/zinc/68/83/17/189688317.db2.gz SCBBHUZSXXWVMK-UHFFFAOYSA-N 1 0 280.209 3.754 10 0 CHAERO Cc1sc2nc(C)nc(N[C@@H](C)CCCC[NH3+])c2c1C ZINC000336836937 335046696 /nfs/dbraw/zinc/04/66/96/335046696.db2.gz XWZZPLFBIYNMMJ-VIFPVBQESA-N 1 0 292.452 3.546 10 0 CHAERO CC(C)c1ccccc1N1C[C@H](C)[NH2+]C[C@H]1C(C)C ZINC000083441784 135022061 /nfs/dbraw/zinc/02/20/61/135022061.db2.gz WJLCMTOPAHYAQD-YOEHRIQHSA-N 1 0 260.425 3.633 10 0 CHAERO CC(C)[C@H]1CN(c2cccc3ccccc32)[C@H](C)C[NH2+]1 ZINC000083511061 135025211 /nfs/dbraw/zinc/02/52/11/135025211.db2.gz BVWBNPRVIXHFDW-RHSMWYFYSA-N 1 0 268.404 3.663 10 0 CHAERO CC(C)[C@@H]1CN(c2cccc3ccccc32)[C@H](C)C[NH2+]1 ZINC000083511057 135025300 /nfs/dbraw/zinc/02/53/00/135025300.db2.gz BVWBNPRVIXHFDW-PBHICJAKSA-N 1 0 268.404 3.663 10 0 CHAERO CC[C@H]1CN(c2ccccc2C(C)(C)C)[C@@H](CC)C[NH2+]1 ZINC000083541913 135028004 /nfs/dbraw/zinc/02/80/04/135028004.db2.gz GGRLIUFRFRIIAN-GJZGRUSLSA-N 1 0 274.452 3.951 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(C(C)(C)C)cc1 ZINC000083541890 135028102 /nfs/dbraw/zinc/02/81/02/135028102.db2.gz LWNOXRUUVPOPNH-JKSUJKDBSA-N 1 0 274.452 3.951 10 0 CHAERO Cc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c(F)c1 ZINC000083587403 135030122 /nfs/dbraw/zinc/03/01/22/135030122.db2.gz OKCXKEMIFQSRMC-NVXWUHKLSA-N 1 0 278.415 3.593 10 0 CHAERO C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2)cs1 ZINC000005000590 170053502 /nfs/dbraw/zinc/05/35/02/170053502.db2.gz MXUWYYZDSXIXHO-UHFFFAOYSA-N 1 0 295.839 3.827 10 0 CHAERO Cc1cc[n+](-c2ccc3[nH]c4ccccc4c3c2)cc1 ZINC000005379771 170091544 /nfs/dbraw/zinc/09/15/44/170091544.db2.gz YCWGSRUDIJYOHI-UHFFFAOYSA-N 1 0 259.332 3.906 10 0 CHAERO CO[C@H]1CCC[N@H+](C)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000005599848 170118225 /nfs/dbraw/zinc/11/82/25/170118225.db2.gz QCUUDMWBLCOCOY-AZUAARDMSA-N 1 0 295.426 3.928 10 0 CHAERO CCO[C@H](C(=[NH2+])NCCc1ccccc1)c1ccccc1 ZINC000005650836 170124138 /nfs/dbraw/zinc/12/41/38/170124138.db2.gz FBQYYIUDWWKDTB-KRWDZBQOSA-N 1 0 282.387 3.574 10 0 CHAERO CC[C@@H](C[NH+]1CCCC1)C(=O)c1cc(-c2ccccc2)no1 ZINC000005922960 170156092 /nfs/dbraw/zinc/15/60/92/170156092.db2.gz GUASCDJSZHYNGR-AWEZNQCLSA-N 1 0 298.386 3.646 10 0 CHAERO O[C@]1(c2ccc(C(F)(F)F)cc2)CC[N@@H+]2CCCC[C@H]2C1 ZINC000006093310 170175674 /nfs/dbraw/zinc/17/56/74/170175674.db2.gz SEWOUMHWEWDIHT-LSDHHAIUSA-N 1 0 299.336 3.541 10 0 CHAERO Fc1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1 ZINC000006583719 170215701 /nfs/dbraw/zinc/21/57/01/170215701.db2.gz CHDMGYUKQAWFBP-UHFFFAOYSA-N 1 0 254.308 3.597 10 0 CHAERO COc1ccc(Sc2ccccc2C[C@@H](C)[NH3+])cc1 ZINC000006852894 170249092 /nfs/dbraw/zinc/24/90/92/170249092.db2.gz ISXLDFSBTXFGFM-GFCCVEGCSA-N 1 0 273.401 3.736 10 0 CHAERO Cc1cccc(C[C@H](C[NH3+])c2ccccc2Cl)c1 ZINC000011588287 170423125 /nfs/dbraw/zinc/42/31/25/170423125.db2.gz BMKKAQYHARSPHO-CQSZACIVSA-N 1 0 259.780 3.933 10 0 CHAERO COc1cccc([C@@H]([NH3+])Cc2ccc(Cl)cc2)c1 ZINC000011604147 170426359 /nfs/dbraw/zinc/42/63/59/170426359.db2.gz GYIRMUBEOBIOAZ-HNNXBMFYSA-N 1 0 261.752 3.591 10 0 CHAERO [NH3+][C@H]1CCC[C@@H]1Oc1ccccc1-c1ccccc1 ZINC000019260310 170761777 /nfs/dbraw/zinc/76/17/77/170761777.db2.gz KHDSEHTXZWGQOQ-RDJZCZTQSA-N 1 0 253.345 3.612 10 0 CHAERO CC(C)c1ccccc1OCc1cccc(C(N)=[NH2+])c1 ZINC000019432468 170798020 /nfs/dbraw/zinc/79/80/20/170798020.db2.gz OFZVKVXPCINEKL-UHFFFAOYSA-N 1 0 268.360 3.673 10 0 CHAERO [NH3+][C@@H](Cc1cccc(F)c1)c1ccc(Br)cc1 ZINC000019517710 170823448 /nfs/dbraw/zinc/82/34/48/170823448.db2.gz ZLBRFFSANUBDCG-AWEZNQCLSA-N 1 0 294.167 3.831 10 0 CHAERO Cc1ccc(Cl)c(O[C@H](C[NH3+])c2ccccc2)c1 ZINC000019670921 170835586 /nfs/dbraw/zinc/83/55/86/170835586.db2.gz VZARWCXRJXZFAD-OAHLLOKOSA-N 1 0 261.752 3.727 10 0 CHAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000019803577 170872262 /nfs/dbraw/zinc/87/22/62/170872262.db2.gz CCAJJGBYHPZJIR-QGZVFWFLSA-N 1 0 290.357 3.800 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])C(CC)CC)cc1OCC ZINC000019967784 170949514 /nfs/dbraw/zinc/94/95/14/170949514.db2.gz PDCJOWVFXQIPMS-INIZCTEOSA-N 1 0 265.397 3.920 10 0 CHAERO [NH3+][C@H](c1ccc2c(c1)CCO2)c1cc(Cl)cc(Cl)c1 ZINC000019971000 170954565 /nfs/dbraw/zinc/95/45/65/170954565.db2.gz VTAZVTBZLNIRIE-OAHLLOKOSA-N 1 0 294.181 3.976 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccc(O)cc1 ZINC000020121316 171000079 /nfs/dbraw/zinc/00/00/79/171000079.db2.gz WHSJXTWNSOHFJP-WBMJQRKESA-N 1 0 256.349 3.589 10 0 CHAERO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccccc1F ZINC000020129355 171017282 /nfs/dbraw/zinc/01/72/82/171017282.db2.gz CAMYMHRMZJKSBW-KBXCAEBGSA-N 1 0 286.394 3.779 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)cc1 ZINC000020129319 171017339 /nfs/dbraw/zinc/01/73/39/171017339.db2.gz ZMXCYJBMIORERI-QFBILLFUSA-N 1 0 282.431 3.949 10 0 CHAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(O)cc1 ZINC000020129731 171018058 /nfs/dbraw/zinc/01/80/58/171018058.db2.gz DWPXNPBSEQWLFF-SJCJKPOMSA-N 1 0 253.345 3.730 10 0 CHAERO CCCC[C@H]([NH2+]CCCOC)c1ccc(F)cc1 ZINC000020142942 171028819 /nfs/dbraw/zinc/02/88/19/171028819.db2.gz UKFHBEKVBBEBSX-HNNXBMFYSA-N 1 0 253.361 3.683 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147836 171035501 /nfs/dbraw/zinc/03/55/01/171035501.db2.gz VQCPAWMPWJCXCZ-NEPJUHHUSA-N 1 0 259.324 3.943 10 0 CHAERO C=COCCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000020197486 171061793 /nfs/dbraw/zinc/06/17/93/171061793.db2.gz KZRFRILFQFUDJF-INIZCTEOSA-N 1 0 257.333 3.509 10 0 CHAERO C=COCCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000020197569 171061991 /nfs/dbraw/zinc/06/19/91/171061991.db2.gz OIQOPXGBKFFXLI-UHFFFAOYSA-N 1 0 260.164 3.633 10 0 CHAERO C=COCCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000020197661 171062148 /nfs/dbraw/zinc/06/21/48/171062148.db2.gz DJURHXGSQAUJKF-LBPRGKRZSA-N 1 0 251.395 3.609 10 0 CHAERO Cc1c([C@@H](C)[NH3+])cnn1-c1ccc(Cl)c(Cl)c1 ZINC000020216640 171078936 /nfs/dbraw/zinc/07/89/36/171078936.db2.gz RRSADGDCMZSJDT-SSDOTTSWSA-N 1 0 270.163 3.507 10 0 CHAERO Clc1cc(Cl)cc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020221555 171083014 /nfs/dbraw/zinc/08/30/14/171083014.db2.gz FCUOSPWITGFBTJ-LBPRGKRZSA-N 1 0 274.191 3.904 10 0 CHAERO Cc1cccc(CN(C)[C@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000020226001 171089295 /nfs/dbraw/zinc/08/92/95/171089295.db2.gz ZIHKXNKIHJPHPU-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO CC(C)c1ccc([C@H](CN)[N@H+](C)CC(C)(C)C)cc1 ZINC000020226077 171090564 /nfs/dbraw/zinc/09/05/64/171090564.db2.gz RFVQYEDVRFEDBX-INIZCTEOSA-N 1 0 262.441 3.788 10 0 CHAERO CC(C)C[N@H+](C)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226324 171092066 /nfs/dbraw/zinc/09/20/66/171092066.db2.gz PGMPRZMFTGQTEJ-INIZCTEOSA-N 1 0 262.441 3.572 10 0 CHAERO CCc1ccc(CN(CCC[NH3+])c2ccc(F)cc2)cc1 ZINC000020237280 171095942 /nfs/dbraw/zinc/09/59/42/171095942.db2.gz JLYGGFYNGBFPBP-UHFFFAOYSA-N 1 0 286.394 3.744 10 0 CHAERO Cc1ccc([C@@H]([NH3+])[C@H](C)n2ccnc2C(C)C)cc1 ZINC000020262075 171119840 /nfs/dbraw/zinc/11/98/40/171119840.db2.gz WINQOOYGESEFIP-ZFWWWQNUSA-N 1 0 257.381 3.576 10 0 CHAERO CCOc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000020268121 171124158 /nfs/dbraw/zinc/12/41/58/171124158.db2.gz FHDKBDANHZDWAN-MRXNPFEDSA-N 1 0 280.371 3.657 10 0 CHAERO Cc1ccccc1C[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000020384449 171174884 /nfs/dbraw/zinc/17/48/84/171174884.db2.gz PEIFPJDSKAKCGE-GOSISDBHSA-N 1 0 251.373 3.726 10 0 CHAERO [NH3+][C@@H](Cc1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000020429129 171194336 /nfs/dbraw/zinc/19/43/36/171194336.db2.gz JAZGEBAOEXMBCJ-ZDUSSCGKSA-N 1 0 267.159 3.631 10 0 CHAERO C[C@H]([NH3+])CCOc1ccc(Oc2ccccc2)cc1 ZINC000020429311 171194537 /nfs/dbraw/zinc/19/45/37/171194537.db2.gz WMXDIVRHSRJSFO-ZDUSSCGKSA-N 1 0 257.333 3.595 10 0 CHAERO c1csc(C[N@@H+]2CCc3[nH]nc(-c4ccccc4)c3C2)c1 ZINC000020452740 171207759 /nfs/dbraw/zinc/20/77/59/171207759.db2.gz MLLGJILKHDOHRY-UHFFFAOYSA-N 1 0 295.411 3.697 10 0 CHAERO [NH3+]Cc1c(Cl)cccc1N1CCCCCCC1 ZINC000020469770 171211816 /nfs/dbraw/zinc/21/18/16/171211816.db2.gz GHNPSUJBTFVIKM-UHFFFAOYSA-N 1 0 252.789 3.569 10 0 CHAERO [NH3+]Cc1ccc(Oc2cccc(Br)c2)c(F)c1 ZINC000020470279 171212386 /nfs/dbraw/zinc/21/23/86/171212386.db2.gz XVCSHHXHARUUTO-UHFFFAOYSA-N 1 0 296.139 3.839 10 0 CHAERO [NH3+]Cc1ccccc1Oc1cccc(Br)c1 ZINC000020470280 171212828 /nfs/dbraw/zinc/21/28/28/171212828.db2.gz VTLCZCXOSWNDQV-UHFFFAOYSA-N 1 0 278.149 3.700 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1ccc(C)cc1 ZINC000020484706 171224668 /nfs/dbraw/zinc/22/46/68/171224668.db2.gz GQTFLBGXWVWUFS-KRWDZBQOSA-N 1 0 262.441 3.897 10 0 CHAERO CC(C)(C)OC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000020510651 171230728 /nfs/dbraw/zinc/23/07/28/171230728.db2.gz CBLHDKIWSFMAJK-NSHDSACASA-N 1 0 261.287 3.520 10 0 CHAERO CCCCCC[C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C ZINC000020520389 171233750 /nfs/dbraw/zinc/23/37/50/171233750.db2.gz OEDQUNDXYXCEBD-CVEARBPZSA-N 1 0 256.478 3.911 10 0 CHAERO Cc1ccc(Cl)cc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523779 171237089 /nfs/dbraw/zinc/23/70/89/171237089.db2.gz IRTKHOFRKXUMCN-AGUYFDCRSA-N 1 0 264.800 3.686 10 0 CHAERO COc1ccc(C)cc1[C@H]([NH3+])COc1cc(C)ccc1C ZINC000020546526 171243870 /nfs/dbraw/zinc/24/38/70/171243870.db2.gz XATVQBUXIVFECM-MRXNPFEDSA-N 1 0 285.387 3.699 10 0 CHAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1ccccc1C ZINC000020547328 171244793 /nfs/dbraw/zinc/24/47/93/171244793.db2.gz SVPFUFPKLNLMAH-GOSISDBHSA-N 1 0 268.404 3.830 10 0 CHAERO CC(C)[C@@H](Oc1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000020547791 171244893 /nfs/dbraw/zinc/24/48/93/171244893.db2.gz WHKAURLHIPDHES-DLBZAZTESA-N 1 0 273.351 3.929 10 0 CHAERO Cc1ccc(C)c([C@H]([NH3+])COc2cccc(C)c2C)c1 ZINC000020551937 171247339 /nfs/dbraw/zinc/24/73/39/171247339.db2.gz SOGZXDDCXYDZMU-QGZVFWFLSA-N 1 0 269.388 3.999 10 0 CHAERO CCc1ccc(OC[C@@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000020552666 171247646 /nfs/dbraw/zinc/24/76/46/171247646.db2.gz WHBVHQQHFIFKNZ-GOSISDBHSA-N 1 0 269.388 3.945 10 0 CHAERO C=COCCC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020552977 171248252 /nfs/dbraw/zinc/24/82/52/171248252.db2.gz GKVHAUJYGJHTTP-UHFFFAOYSA-N 1 0 291.338 3.938 10 0 CHAERO CC(C)[C@@H](CN[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC000020561982 171252136 /nfs/dbraw/zinc/25/21/36/171252136.db2.gz WTOLLZFGJOHADL-IUODEOHRSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)[C@H](CN[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC000020561985 171252431 /nfs/dbraw/zinc/25/24/31/171252431.db2.gz WTOLLZFGJOHADL-DOMZBBRYSA-N 1 0 268.832 3.577 10 0 CHAERO CC[NH+](CC)CCN[C@H](C)c1ccc(Cl)cc1Cl ZINC000020562270 171252463 /nfs/dbraw/zinc/25/24/63/171252463.db2.gz MQHLCMCOSAFKJN-LLVKDONJSA-N 1 0 289.250 3.986 10 0 CHAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)[C@@H]1C ZINC000020565007 171253701 /nfs/dbraw/zinc/25/37/01/171253701.db2.gz VTEZYVFOBPZBAZ-UEKVPHQBSA-N 1 0 253.336 3.879 10 0 CHAERO COc1ccccc1[C@H]([NH3+])COc1ccc(C(C)C)cc1 ZINC000020567329 171255153 /nfs/dbraw/zinc/25/51/53/171255153.db2.gz PDBDIDYVTZGBGF-QGZVFWFLSA-N 1 0 285.387 3.897 10 0 CHAERO CCCC[N@H+](C)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020567067 171255344 /nfs/dbraw/zinc/25/53/44/171255344.db2.gz GLCHUXIKNUOCHA-INIZCTEOSA-N 1 0 262.441 3.716 10 0 CHAERO C[C@@H]1C[C@H](OCC[C@@H]2CCCC[NH2+]2)CC(C)(C)C1 ZINC000020593627 171263034 /nfs/dbraw/zinc/26/30/34/171263034.db2.gz WFAPNYYSKHRLIT-ILXRZTDVSA-N 1 0 253.430 3.750 10 0 CHAERO Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000020595843 171264405 /nfs/dbraw/zinc/26/44/05/171264405.db2.gz LJOMTNZZITYZCQ-LJQANCHMSA-N 1 0 280.415 3.990 10 0 CHAERO Cc1ccccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595941 171264536 /nfs/dbraw/zinc/26/45/36/171264536.db2.gz IEUMFIFJJVMKNA-QGZVFWFLSA-N 1 0 266.388 3.681 10 0 CHAERO CCCOc1ccc(C[NH2+]CCN(CC)CC)cc1Cl ZINC000020967401 171281960 /nfs/dbraw/zinc/28/19/60/171281960.db2.gz QTPLYMKTEBHIMV-UHFFFAOYSA-N 1 0 298.858 3.560 10 0 CHAERO CCCOc1ccc(Cl)cc1CNCC[NH+](CC)CC ZINC000020967786 171283003 /nfs/dbraw/zinc/28/30/03/171283003.db2.gz LXCUHSXVLWISFX-UHFFFAOYSA-N 1 0 298.858 3.560 10 0 CHAERO CC(C)N(CC[NH2+]C1[C@H](C)CCC[C@H]1C)C(C)C ZINC000021009490 171286469 /nfs/dbraw/zinc/28/64/69/171286469.db2.gz ARCJVAHCGZSJTA-HUUCEWRRSA-N 1 0 254.462 3.520 10 0 CHAERO CCc1ccc(OC[C@H]([NH3+])c2ccccc2C)cc1 ZINC000021009649 171286477 /nfs/dbraw/zinc/28/64/77/171286477.db2.gz QXKVTBPFMUQJMU-KRWDZBQOSA-N 1 0 255.361 3.636 10 0 CHAERO CCCCOc1ccc(CNCCC[NH+](CC)CC)cc1 ZINC000021010413 171286597 /nfs/dbraw/zinc/28/65/97/171286597.db2.gz ZBDNOYUMJAGGMH-UHFFFAOYSA-N 1 0 292.467 3.687 10 0 CHAERO CC[NH+](CC)[C@H]1CCCCCCCCCC[C@H]1N ZINC000021011462 171287271 /nfs/dbraw/zinc/28/72/71/171287271.db2.gz HCOJJWJRCZKJNJ-CVEARBPZSA-N 1 0 254.462 3.939 10 0 CHAERO COc1ccc(OC[C@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000021045201 171294135 /nfs/dbraw/zinc/29/41/35/171294135.db2.gz SFNOKKAOGBDNSY-CYBMUJFWSA-N 1 0 277.408 3.514 10 0 CHAERO CC[NH+](CC)CCNc1cc(Cl)ccc1Cl ZINC000021047397 171294405 /nfs/dbraw/zinc/29/44/05/171294405.db2.gz MUVAGKZJWBBWTK-UHFFFAOYSA-N 1 0 261.196 3.747 10 0 CHAERO CCC(CC)C[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000021062639 171297515 /nfs/dbraw/zinc/29/75/15/171297515.db2.gz IXKDCOVTLPZJSK-SFHVURJKSA-N 1 0 274.452 3.849 10 0 CHAERO CCc1ccc([C@@H](N)C[N@@H+](CC)C2CCCCC2)cc1 ZINC000021499935 171304648 /nfs/dbraw/zinc/30/46/48/171304648.db2.gz MJXVWVUWSKVCLA-SFHVURJKSA-N 1 0 274.452 3.903 10 0 CHAERO CCC[NH+](CCC)[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000021500210 171305153 /nfs/dbraw/zinc/30/51/53/171305153.db2.gz VWLOWLWGJBFENC-KKUMJFAQSA-N 1 0 254.462 3.651 10 0 CHAERO Cc1ccc(O[C@@H](C)[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000021503251 171306551 /nfs/dbraw/zinc/30/65/51/171306551.db2.gz QWCOIRNMZYSRKH-WMLDXEAASA-N 1 0 255.361 3.771 10 0 CHAERO COc1ccc(O[C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000021515766 171312553 /nfs/dbraw/zinc/31/25/53/171312553.db2.gz LNTAFYSXDCUKCR-MSOLQXFVSA-N 1 0 285.387 3.799 10 0 CHAERO CC(C)C[C@@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)N(C)C ZINC000021520188 171315682 /nfs/dbraw/zinc/31/56/82/171315682.db2.gz ANSOAVJJHDNFBO-OAGGEKHMSA-N 1 0 268.489 3.767 10 0 CHAERO Cc1ccc([C@@H](N)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000021804381 171326703 /nfs/dbraw/zinc/32/67/03/171326703.db2.gz XAKOYGRILGAVHS-KRWDZBQOSA-N 1 0 260.425 3.568 10 0 CHAERO C[C@H]([NH3+])c1c(F)cccc1N1CCCCCCC1 ZINC000021804929 171326995 /nfs/dbraw/zinc/32/69/95/171326995.db2.gz HFNWUVMFFGVJCX-LBPRGKRZSA-N 1 0 250.361 3.616 10 0 CHAERO CCOc1ccc(OC[C@@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000021812454 171329641 /nfs/dbraw/zinc/32/96/41/171329641.db2.gz TYMVJPRWVOGFLF-GOSISDBHSA-N 1 0 285.387 3.781 10 0 CHAERO CCN(C[C@@H]([NH3+])c1ccc(C)cc1C)c1ccccc1 ZINC000021812692 171329925 /nfs/dbraw/zinc/32/99/25/171329925.db2.gz WSFRWGXKKLTADV-GOSISDBHSA-N 1 0 268.404 3.830 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccccc2F)C1 ZINC000021815088 171331604 /nfs/dbraw/zinc/33/16/04/171331604.db2.gz NKHRDTHKSRGZPD-ZLDLUXBVSA-N 1 0 265.372 3.747 10 0 CHAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000021815185 171331947 /nfs/dbraw/zinc/33/19/47/171331947.db2.gz PZVMXQQGVQIQNQ-WWGRRREGSA-N 1 0 277.408 3.618 10 0 CHAERO CCc1ccc([C@H](N)C[NH+]2CCCCCCC2)cc1 ZINC000021819815 171334189 /nfs/dbraw/zinc/33/41/89/171334189.db2.gz OMUDTHOJCWZKRH-QGZVFWFLSA-N 1 0 260.425 3.515 10 0 CHAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000022148275 171357506 /nfs/dbraw/zinc/35/75/06/171357506.db2.gz QQMBGJXJZHQIHJ-GOSISDBHSA-N 1 0 268.404 3.830 10 0 CHAERO Cc1cccc(NC(=O)Nc2ccccc2[C@@H](C)[NH3+])c1 ZINC000022164372 171365359 /nfs/dbraw/zinc/36/53/59/171365359.db2.gz STMLZPPYIBOLSK-GFCCVEGCSA-N 1 0 269.348 3.659 10 0 CHAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022209555 171373024 /nfs/dbraw/zinc/37/30/24/171373024.db2.gz PEEXWZIMIXANFD-RISCZKNCSA-N 1 0 286.341 3.580 10 0 CHAERO CCCc1ccc([C@@H]([NH3+])Cn2cnc3ccccc32)cc1 ZINC000023067395 171408664 /nfs/dbraw/zinc/40/86/64/171408664.db2.gz AMHYYNHDUVZXEG-INIZCTEOSA-N 1 0 279.387 3.689 10 0 CHAERO CCc1[nH]c2ccc(Cl)cc2c1C1=CC[NH2+]CC1 ZINC000028526199 171562267 /nfs/dbraw/zinc/56/22/67/171562267.db2.gz VNVXUUTVFKHQDH-UHFFFAOYSA-N 1 0 260.768 3.760 10 0 CHAERO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000029577389 171605208 /nfs/dbraw/zinc/60/52/08/171605208.db2.gz CBSFNVMGAYJMRE-NWDGAFQWSA-N 1 0 282.815 3.610 10 0 CHAERO Cc1ccc(O[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000032108783 171700892 /nfs/dbraw/zinc/70/08/92/171700892.db2.gz SMDSHETZAWKFSZ-QGZVFWFLSA-N 1 0 255.361 3.854 10 0 CHAERO CCOc1ccc(Oc2ccc(C[C@H](C)[NH3+])cc2)cc1 ZINC000032119552 171711209 /nfs/dbraw/zinc/71/12/09/171711209.db2.gz NTHUEFCROKRFSH-ZDUSSCGKSA-N 1 0 271.360 3.767 10 0 CHAERO CC(C)[C@H](c1ccccc1)[C@H](O)CC[NH+]1CCCCC1 ZINC000033903718 171825443 /nfs/dbraw/zinc/82/54/43/171825443.db2.gz KJCWLPLAURMCOC-QZTJIDSGSA-N 1 0 275.436 3.663 10 0 in-man CHAERO C[NH2+][C@H](C)c1cccc(OCc2cccc(C)c2)c1 ZINC000034822191 171875157 /nfs/dbraw/zinc/87/51/57/171875157.db2.gz HXZLZLCUUFLNDN-CQSZACIVSA-N 1 0 255.361 3.854 10 0 CHAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052359 171953381 /nfs/dbraw/zinc/95/33/81/171953381.db2.gz PNQVERVKTDLUPJ-AAEUAGOBSA-N 1 0 275.421 3.807 10 0 CHAERO C[C@H](Nc1cc(Cl)ccc1F)[C@H]1CCC[N@H+](C)C1 ZINC000035056614 171959301 /nfs/dbraw/zinc/95/93/01/171959301.db2.gz JLSFCUWFNKVEIV-QWRGUYRKSA-N 1 0 270.779 3.621 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000035151134 172014660 /nfs/dbraw/zinc/01/46/60/172014660.db2.gz MNTFPUNTGHXTOS-OKUQKKEKSA-N 1 0 277.452 3.750 10 0 CHAERO CC(C)N(CC[NH2+]C1C2CC3CC(C2)CC1C3)C(C)C ZINC000035161947 172022445 /nfs/dbraw/zinc/02/24/45/172022445.db2.gz ZBIZTSBHGKQCOB-UHFFFAOYSA-N 1 0 278.484 3.520 10 0 CHAERO CCCCC[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000035174597 172027725 /nfs/dbraw/zinc/02/77/25/172027725.db2.gz SOTQVPFXBXNGJV-KRWDZBQOSA-N 1 0 254.377 3.951 10 0 CHAERO CCC1CCC(C[NH3+])(N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000035176778 172030166 /nfs/dbraw/zinc/03/01/66/172030166.db2.gz WNQVWQOWSXNPHK-UMQBVGHOSA-N 1 0 278.484 3.939 10 0 CHAERO CC(C)c1ccc([C@@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000035206610 172050638 /nfs/dbraw/zinc/05/06/38/172050638.db2.gz GCZQQVBFVBQVGG-IBGZPJMESA-N 1 0 282.431 3.942 10 0 CHAERO CC(C)[C@H]([C@H](N)c1ccccc1)[N@H+](C)C1CCCCC1 ZINC000035219786 172060994 /nfs/dbraw/zinc/06/09/94/172060994.db2.gz YCXBKAJKCLKQHJ-QZTJIDSGSA-N 1 0 274.452 3.976 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000035286350 172104195 /nfs/dbraw/zinc/10/41/95/172104195.db2.gz CUEXPFRCJCIZFS-GUBZILKMSA-N 1 0 259.802 3.620 10 0 CHAERO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)s1)N(C)C ZINC000035286238 172104397 /nfs/dbraw/zinc/10/43/97/172104397.db2.gz ICXIZNFRECTXCQ-GHMZBOCLSA-N 1 0 274.861 3.638 10 0 CHAERO C[C@@H](NC1=[NH+][C@H](C)CS1)C12CC3CC(CC(C3)C1)C2 ZINC000035294340 172106101 /nfs/dbraw/zinc/10/61/01/172106101.db2.gz ONPQBSUYNVVFAK-YIZLIVJESA-N 1 0 278.465 3.672 10 0 CHAERO [NH3+][C@@H](c1ccsc1)c1ccc(Br)cc1 ZINC000035379572 172161874 /nfs/dbraw/zinc/16/18/74/172161874.db2.gz GEWGQPFHMNHAPT-LLVKDONJSA-N 1 0 268.179 3.559 10 0 CHAERO CC[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2s1 ZINC000035411284 172182816 /nfs/dbraw/zinc/18/28/16/172182816.db2.gz QOCDBLZWWCSOOC-ZETCQYMHSA-N 1 0 260.284 3.725 10 0 CHAERO CCCCCCOc1cc(OCCC)ccc1C[NH3+] ZINC000035413873 172186649 /nfs/dbraw/zinc/18/66/49/172186649.db2.gz MEZMAOKPUIZOFU-UHFFFAOYSA-N 1 0 265.397 3.893 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1cncc(Br)c1 ZINC000035458863 172207197 /nfs/dbraw/zinc/20/71/97/172207197.db2.gz WASCURKXVKDMTR-GFCCVEGCSA-N 1 0 297.221 3.523 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(F)cc1F ZINC000035459112 172208348 /nfs/dbraw/zinc/20/83/48/172208348.db2.gz AGJKPAAJAFRAEN-CYBMUJFWSA-N 1 0 253.317 3.644 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2cc(F)cc(F)c2)s1 ZINC000035460888 172209286 /nfs/dbraw/zinc/20/92/86/172209286.db2.gz CDEQRQSFADJLDM-CQSZACIVSA-N 1 0 267.344 3.898 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2cccc(OC)c2)s1 ZINC000035460974 172210003 /nfs/dbraw/zinc/21/00/03/172210003.db2.gz UQHNUSRCQSAPSP-OAHLLOKOSA-N 1 0 261.390 3.628 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2ccc(F)cc2F)s1 ZINC000035460938 172210218 /nfs/dbraw/zinc/21/02/18/172210218.db2.gz AREJKHRMWIEKEO-CQSZACIVSA-N 1 0 267.344 3.898 10 0 CHAERO C[NH2+][C@H](c1cc(C)oc1C)c1ccc(Br)cc1 ZINC000035462356 172210674 /nfs/dbraw/zinc/21/06/74/172210674.db2.gz FVAYXWOJOXLMFS-AWEZNQCLSA-N 1 0 294.192 3.968 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000035463374 172211310 /nfs/dbraw/zinc/21/13/10/172211310.db2.gz GTZDNMIOHUGNGZ-INIZCTEOSA-N 1 0 263.381 3.545 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1c(F)cc(F)cc1F ZINC000035469384 172219186 /nfs/dbraw/zinc/21/91/86/172219186.db2.gz HDDRCSUNSXBIRM-GFCCVEGCSA-N 1 0 271.307 3.783 10 0 CHAERO CCC[C@@H]([NH2+]C)c1ccc(OCC)c(OCC)c1 ZINC000035489235 172223912 /nfs/dbraw/zinc/22/39/12/172223912.db2.gz MZQAJFDOWUSAMA-CYBMUJFWSA-N 1 0 251.370 3.545 10 0 CHAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(F)cc1F ZINC000035491592 172225732 /nfs/dbraw/zinc/22/57/32/172225732.db2.gz TXEDJQFKLXQPMT-MRXNPFEDSA-N 1 0 261.315 3.776 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)[C@H]1Cc2ccccc2O1 ZINC000035497608 172231626 /nfs/dbraw/zinc/23/16/26/172231626.db2.gz DZCGAQNJNVGGLX-HZPDHXFCSA-N 1 0 273.401 3.629 10 0 CHAERO C[NH2+][C@@H](c1ccsc1)c1ccc(OC(C)C)cc1 ZINC000035498562 172231939 /nfs/dbraw/zinc/23/19/39/172231939.db2.gz SGMJMDGKOFKHBT-OAHLLOKOSA-N 1 0 261.390 3.844 10 0 CHAERO CCC[C@H](C)[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501363 172235895 /nfs/dbraw/zinc/23/58/95/172235895.db2.gz FIUHTPYHUQXBPP-ZUZCIYMTSA-N 1 0 283.799 3.808 10 0 CHAERO C[NH2+][C@H](CC(C)C)c1cc(OC)c(OC)cc1Cl ZINC000035501265 172235920 /nfs/dbraw/zinc/23/59/20/172235920.db2.gz RJQTZGVOLIQTFZ-GFCCVEGCSA-N 1 0 271.788 3.664 10 0 CHAERO CCC[C@@H](C)[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501360 172235934 /nfs/dbraw/zinc/23/59/34/172235934.db2.gz FIUHTPYHUQXBPP-BMIGLBTASA-N 1 0 283.799 3.808 10 0 CHAERO C[NH2+][C@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000035501513 172235995 /nfs/dbraw/zinc/23/59/95/172235995.db2.gz MCVUHCRVLPNCRZ-CYBMUJFWSA-N 1 0 267.159 3.697 10 0 CHAERO C[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)C1CCCCC1 ZINC000035505024 172238323 /nfs/dbraw/zinc/23/83/23/172238323.db2.gz UWODAXCJBUOSPT-PXAZEXFGSA-N 1 0 259.393 3.851 10 0 CHAERO C[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)C1CCCCC1 ZINC000035505021 172238402 /nfs/dbraw/zinc/23/84/02/172238402.db2.gz UWODAXCJBUOSPT-YVEFUNNKSA-N 1 0 259.393 3.851 10 0 CHAERO CCOc1ccc(Br)cc1[C@@H]([NH2+]C)[C@H]1C[C@@H]1C ZINC000035505979 172239094 /nfs/dbraw/zinc/23/90/94/172239094.db2.gz OYZVPEICUQOMOA-CHIMOYNISA-N 1 0 298.224 3.764 10 0 CHAERO CCC(CC)[C@H]([NH2+]C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507400 172240280 /nfs/dbraw/zinc/24/02/80/172240280.db2.gz NKHZZQGCSKSBSB-HNNXBMFYSA-N 1 0 280.799 3.531 10 0 CHAERO CC[NH2+][C@@H](c1cc(Br)ccc1OC)[C@@H]1C[C@@H]1C ZINC000035509159 172241035 /nfs/dbraw/zinc/24/10/35/172241035.db2.gz NZKKFQPIXDANSP-DRCTWCGVSA-N 1 0 298.224 3.764 10 0 CHAERO CC[NH2+][C@H](Cc1ccccc1OC)c1cccs1 ZINC000035545348 172253299 /nfs/dbraw/zinc/25/32/99/172253299.db2.gz MFPRXFYKTNFLGE-CYBMUJFWSA-N 1 0 261.390 3.650 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1c(F)cccc1F ZINC000035545518 172253346 /nfs/dbraw/zinc/25/33/46/172253346.db2.gz DRXSIEHSBFHTJP-CYBMUJFWSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc(F)c(F)c1 ZINC000035545450 172253597 /nfs/dbraw/zinc/25/35/97/172253597.db2.gz YJLKYKXSWLNPGB-ZDUSSCGKSA-N 1 0 253.317 3.725 10 0 CHAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(OC)cc1OC ZINC000035546046 172254203 /nfs/dbraw/zinc/25/42/03/172254203.db2.gz NECRPDZYWOCAQM-WBMJQRKESA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)cc1OC ZINC000035546083 172254293 /nfs/dbraw/zinc/25/42/93/172254293.db2.gz GBPCFUCEQIEWRI-CQSZACIVSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@@H](CCC(C)C)c1cc(F)ccc1OC ZINC000035554474 172261347 /nfs/dbraw/zinc/26/13/47/172261347.db2.gz BPYBOHKOQZYYQS-AWEZNQCLSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000035558257 172263526 /nfs/dbraw/zinc/26/35/26/172263526.db2.gz GMAJZBXSRFCWMY-STQMWFEESA-N 1 0 274.191 3.823 10 0 CHAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035570548 172266364 /nfs/dbraw/zinc/26/63/64/172266364.db2.gz PCLMGMRUFOBLMV-LBPRGKRZSA-N 1 0 284.190 3.610 10 0 CHAERO CCC[NH2+][C@H](CC)c1cc(Br)ccc1OC ZINC000035572636 172269185 /nfs/dbraw/zinc/26/91/85/172269185.db2.gz TXLSTNJSOMWAEN-GFCCVEGCSA-N 1 0 286.213 3.908 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(F)c1)C(CC)CC ZINC000035572422 172269353 /nfs/dbraw/zinc/26/93/53/172269353.db2.gz IHLJIRSVJLOEBC-OAHLLOKOSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)c(OC)c1)C(C)(C)C ZINC000035574577 172271159 /nfs/dbraw/zinc/27/11/59/172271159.db2.gz LXVBDQJHLIYBQC-HNNXBMFYSA-N 1 0 265.397 3.791 10 0 CHAERO CCC[NH2+][C@H](c1ccc(OC)c(OC)c1)C(C)(C)C ZINC000035574579 172271177 /nfs/dbraw/zinc/27/11/77/172271177.db2.gz LXVBDQJHLIYBQC-OAHLLOKOSA-N 1 0 265.397 3.791 10 0 CHAERO CCC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@@H](C)CC ZINC000035577869 172274313 /nfs/dbraw/zinc/27/43/13/172274313.db2.gz KZFGXILNOYCXHJ-BLLLJJGKSA-N 1 0 265.397 3.791 10 0 CHAERO CCC[NH2+][C@@H](CCC)c1cc(OC)ccc1OC ZINC000035577824 172274350 /nfs/dbraw/zinc/27/43/50/172274350.db2.gz ONQKPLAHJVFKOV-AWEZNQCLSA-N 1 0 251.370 3.545 10 0 CHAERO CCC[NH2+][C@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035587141 172286497 /nfs/dbraw/zinc/28/64/97/172286497.db2.gz ATBFMGKGYLUJSW-HNNXBMFYSA-N 1 0 279.380 3.985 10 0 CHAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC1 ZINC000035653022 172329410 /nfs/dbraw/zinc/32/94/10/172329410.db2.gz BMINLMIVEFHGBB-ZDUSSCGKSA-N 1 0 251.757 3.614 10 0 CHAERO CC(C)[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000035654188 172330414 /nfs/dbraw/zinc/33/04/14/172330414.db2.gz KDVQWWQGNMOUFC-LLVKDONJSA-N 1 0 260.164 3.815 10 0 CHAERO Cc1cc(Br)c2c(c1)[C@@H]([NH2+]C1CC1)CCCO2 ZINC000035653779 172330429 /nfs/dbraw/zinc/33/04/29/172330429.db2.gz XLAHAKWIXZAOHN-ZDUSSCGKSA-N 1 0 296.208 3.723 10 0 CHAERO CCC[NH2+][C@@H]1CCCOc2ccc(OCCC)cc21 ZINC000035654113 172330829 /nfs/dbraw/zinc/33/08/29/172330829.db2.gz MISVIIPQOUGQLO-OAHLLOKOSA-N 1 0 263.381 3.689 10 0 CHAERO CCC[NH2+][C@@H]1CCCOc2c(Cl)ccc(C)c21 ZINC000035657715 172332178 /nfs/dbraw/zinc/33/21/78/172332178.db2.gz UKBFHJUZMVOFJJ-GFCCVEGCSA-N 1 0 253.773 3.862 10 0 CHAERO CN(Cc1ccco1)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000035701083 172369272 /nfs/dbraw/zinc/36/92/72/172369272.db2.gz MUMOAHXRJACLQJ-CYBMUJFWSA-N 1 0 299.201 3.718 10 0 CHAERO C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N(C)Cc2cccs2)C1 ZINC000035717215 172371109 /nfs/dbraw/zinc/37/11/09/172371109.db2.gz WGICFRHCUJGLFN-CZUORRHYSA-N 1 0 280.481 3.724 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1N(C)Cc1cccs1 ZINC000035717708 172372437 /nfs/dbraw/zinc/37/24/37/172372437.db2.gz NTUUHCYKCHVVOO-SNVBAGLBSA-N 1 0 264.369 3.543 10 0 CHAERO CC(C)c1ccc(Sc2cc(C[NH3+])ccn2)cc1 ZINC000035720090 172374913 /nfs/dbraw/zinc/37/49/13/172374913.db2.gz WPSPQTPCTSVSBL-UHFFFAOYSA-N 1 0 258.390 3.815 10 0 CHAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2cccs2)C1 ZINC000035722170 172377338 /nfs/dbraw/zinc/37/73/38/172377338.db2.gz HZNPJGQGPTVBPX-GRYCIOLGSA-N 1 0 255.452 3.994 10 0 CHAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2cccs2)C1 ZINC000035722168 172377612 /nfs/dbraw/zinc/37/76/12/172377612.db2.gz HZNPJGQGPTVBPX-IJLUTSLNSA-N 1 0 255.452 3.994 10 0 CHAERO CC[C@H](CC[NH3+])Sc1nc2ccccc2s1 ZINC000035722483 172378241 /nfs/dbraw/zinc/37/82/41/172378241.db2.gz FKQXKRMKMVASFC-SECBINFHSA-N 1 0 252.408 3.516 10 0 CHAERO [NH3+]C[C@H]1CCC[C@H]1Sc1nc2ccccc2s1 ZINC000035722492 172378343 /nfs/dbraw/zinc/37/83/43/172378343.db2.gz WSQLTQUGEZGKFD-MWLCHTKSSA-N 1 0 264.419 3.516 10 0 CHAERO CCC[NH2+][C@H]1C[C@@H](C)Oc2ccc(Br)cc21 ZINC000035751474 172396457 /nfs/dbraw/zinc/39/64/57/172396457.db2.gz MYNVDIAFAAVDNY-SKDRFNHKSA-N 1 0 284.197 3.661 10 0 CHAERO CCCc1ccc(-c2c[nH]c([C@@H]([NH3+])CCC)n2)cc1 ZINC000036873914 172771147 /nfs/dbraw/zinc/77/11/47/172771147.db2.gz XITQOPQUALFBII-AWEZNQCLSA-N 1 0 257.381 3.829 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1ccc(C)s1 ZINC000036906773 172795149 /nfs/dbraw/zinc/79/51/49/172795149.db2.gz XJGSBKJAESASLU-AWEZNQCLSA-N 1 0 268.470 3.959 10 0 CHAERO [NH3+]Cc1ccc(-c2nc3cc(F)ccc3s2)cc1 ZINC000037205206 173027417 /nfs/dbraw/zinc/02/74/17/173027417.db2.gz RNTWDRRFYROGAP-UHFFFAOYSA-N 1 0 258.321 3.561 10 0 CHAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cc(C)ccc2F)C1 ZINC000037221889 173042016 /nfs/dbraw/zinc/04/20/16/173042016.db2.gz VSPHTCUZLFYJFO-KGLIPLIRSA-N 1 0 264.388 3.666 10 0 CHAERO Cc1ccc(N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000037221877 173042621 /nfs/dbraw/zinc/04/26/21/173042621.db2.gz UMSQJDHIEIBVFD-QWHCGFSZSA-N 1 0 266.816 3.791 10 0 CHAERO CCc1ccc([C@H](N)[C@H](C)[N@@H+](CC)[C@@H](C)CC)cc1 ZINC000037223843 173045018 /nfs/dbraw/zinc/04/50/18/173045018.db2.gz YVUKFKJXKRJJNW-GRDNDAEWSA-N 1 0 262.441 3.758 10 0 CHAERO CC[NH2+]Cc1cc(F)ccc1Oc1cccc(F)c1 ZINC000037237844 173055075 /nfs/dbraw/zinc/05/50/75/173055075.db2.gz UESIVNCLPUGXBR-UHFFFAOYSA-N 1 0 263.287 3.867 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)C(C)C ZINC000037272507 173084320 /nfs/dbraw/zinc/08/43/20/173084320.db2.gz NRUFKJPPDIFSPU-SWLSCSKDSA-N 1 0 265.397 3.789 10 0 CHAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1C(C)C ZINC000037294831 173099206 /nfs/dbraw/zinc/09/92/06/173099206.db2.gz PGXDBAAXOXOQJB-ZFWWWQNUSA-N 1 0 263.429 3.602 10 0 CHAERO COc1ccccc1C[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000037296158 173099690 /nfs/dbraw/zinc/09/96/90/173099690.db2.gz XYAHNGFKUHXGNM-MRXNPFEDSA-N 1 0 255.361 3.555 10 0 CHAERO FC(F)(F)C1CCC([NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)CC1 ZINC000037305904 173110193 /nfs/dbraw/zinc/11/01/93/173110193.db2.gz MBCNMXQTZVGYQS-RXDNMWQFSA-N 1 0 259.315 3.662 10 0 CHAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000037328343 173129741 /nfs/dbraw/zinc/12/97/41/173129741.db2.gz NZIBIYPLYPFUSC-CYBMUJFWSA-N 1 0 294.851 3.923 10 0 CHAERO CCC[N@H+](CC(=O)c1cc2ccccc2o1)C(C)C ZINC000037335147 173135911 /nfs/dbraw/zinc/13/59/11/173135911.db2.gz QZJDZZCLFHXIGF-UHFFFAOYSA-N 1 0 259.349 3.736 10 0 CHAERO CC(C)CN(C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424890 173199337 /nfs/dbraw/zinc/19/93/37/173199337.db2.gz KMJXOMDAQVRYAU-ZDUSSCGKSA-N 1 0 275.223 3.581 10 0 CHAERO CCCn1c2ccc(C)cc2nc1-c1ccc(C[NH3+])cc1 ZINC000037438250 173208586 /nfs/dbraw/zinc/20/85/86/173208586.db2.gz WJHRVWBWVJUCIF-UHFFFAOYSA-N 1 0 279.387 3.880 10 0 CHAERO CCCC[C@H]([NH3+])c1nc2cc(F)ccc2n1CCC ZINC000037439557 173209250 /nfs/dbraw/zinc/20/92/50/173209250.db2.gz KGLOHVNKASLLKY-LBPRGKRZSA-N 1 0 263.360 3.775 10 0 CHAERO CSCC[C@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439721 173209837 /nfs/dbraw/zinc/20/98/37/173209837.db2.gz MRDLFULATUUHMW-NSHDSACASA-N 1 0 281.400 3.509 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])CCSC ZINC000037440552 173210033 /nfs/dbraw/zinc/21/00/33/173210033.db2.gz WHZSKAUQEAYTFT-LLVKDONJSA-N 1 0 297.855 3.853 10 0 CHAERO [NH3+][C@]1(CCc2ccccc2)CCc2ccccc2C1 ZINC000037531782 173253252 /nfs/dbraw/zinc/25/32/52/173253252.db2.gz AZDGTZBMFCNRLG-GOSISDBHSA-N 1 0 251.373 3.506 10 0 CHAERO COc1ccccc1[C@@](C)([NH3+])Cc1ccc(Cl)cc1 ZINC000037531527 173253276 /nfs/dbraw/zinc/25/32/76/173253276.db2.gz ZMRYIYZCDPYAGO-INIZCTEOSA-N 1 0 275.779 3.765 10 0 CHAERO C[NH2+][C@@H](CCOc1ccccc1)c1cccc(F)c1 ZINC000037533136 173253761 /nfs/dbraw/zinc/25/37/61/173253761.db2.gz UTNWACKATPKIAG-INIZCTEOSA-N 1 0 259.324 3.555 10 0 CHAERO C[NH2+][C@@H](CCOc1ccccc1)c1ccc(F)cc1 ZINC000037533118 173253787 /nfs/dbraw/zinc/25/37/87/173253787.db2.gz UWXSPEXJYFOQPH-INIZCTEOSA-N 1 0 259.324 3.555 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000037534175 173254292 /nfs/dbraw/zinc/25/42/92/173254292.db2.gz FBFMQIURPAKFHD-INIZCTEOSA-N 1 0 277.770 3.852 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccccn1)c1ccc(F)cc1 ZINC000037535467 173255343 /nfs/dbraw/zinc/25/53/43/173255343.db2.gz RLXWMNVGJOAYTP-INIZCTEOSA-N 1 0 258.340 3.504 10 0 CHAERO CCCCC1CCC(C(=O)N(CCC)[C@@H]2CC[NH2+]C2)CC1 ZINC000037540045 173261620 /nfs/dbraw/zinc/26/16/20/173261620.db2.gz VPHIWWFBLXWHKG-OFLPRAFFSA-N 1 0 294.483 3.584 10 0 CHAERO C[C@H]([NH3+])Cc1cc(Cl)ccc1OC1CCCC1 ZINC000037725668 173643994 /nfs/dbraw/zinc/64/39/94/173643994.db2.gz QEKIYVDEMVKRDK-JTQLQIEISA-N 1 0 253.773 3.551 10 0 CHAERO [NH3+]Cc1ccc(COc2ccc(F)cc2Cl)c(F)c1 ZINC000037902146 173833545 /nfs/dbraw/zinc/83/35/45/173833545.db2.gz IYYSMKMWUSGVAN-UHFFFAOYSA-N 1 0 283.705 3.656 10 0 CHAERO c1coc(C[NH2+]Cc2cc3c(s2)CCCCC3)c1 ZINC000037927572 173866273 /nfs/dbraw/zinc/86/62/73/173866273.db2.gz HKAHLBSOLVNIMI-UHFFFAOYSA-N 1 0 261.390 3.900 10 0 CHAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1 ZINC000038009346 173974465 /nfs/dbraw/zinc/97/44/65/173974465.db2.gz STBZXVLSTFAQEY-BLLLJJGKSA-N 1 0 287.790 3.994 10 0 CHAERO Cc1ccc([C@@H]([NH2+]C[C@H](C)N2CCCCC2)C2CC2)cc1 ZINC000038029023 174018290 /nfs/dbraw/zinc/01/82/90/174018290.db2.gz NFJHZVSXFPJZPN-QFBILLFUSA-N 1 0 286.463 3.910 10 0 CHAERO Cc1noc(C[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)n1 ZINC000038034107 174032133 /nfs/dbraw/zinc/03/21/33/174032133.db2.gz KJDQKHRRWHVGPS-CABCVRRESA-N 1 0 277.412 3.607 10 0 CHAERO [NH3+][C@H](c1nc2cc(Cl)ccc2[nH]1)C1CCCCC1 ZINC000038036747 174036138 /nfs/dbraw/zinc/03/61/38/174036138.db2.gz YRJSDWKXNNIWKK-ZDUSSCGKSA-N 1 0 263.772 3.796 10 0 CHAERO Fc1ccc(Br)c(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)c1 ZINC000038039141 174039561 /nfs/dbraw/zinc/03/95/61/174039561.db2.gz NUEFKFQKFPMVFH-LJWDBELGSA-N 1 0 296.183 3.642 10 0 CHAERO FC(F)(F)c1ccc(NC2CC[NH2+]CC2)c(Cl)c1 ZINC000038041138 174042219 /nfs/dbraw/zinc/04/22/19/174042219.db2.gz QCYXKKWAGNYVAO-UHFFFAOYSA-N 1 0 278.705 3.523 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038044531 174052106 /nfs/dbraw/zinc/05/21/06/174052106.db2.gz BUIJIEJAHGJRGD-HOTGVXAUSA-N 1 0 291.435 3.799 10 0 CHAERO COc1ccccc1-c1ccccc1C[NH2+]C1CC1 ZINC000038070446 174081595 /nfs/dbraw/zinc/08/15/95/174081595.db2.gz ZMWVNCYIEXRHMD-UHFFFAOYSA-N 1 0 253.345 3.614 10 0 CHAERO COc1ccc(Cl)cc1-c1cc(C[NH3+])ccc1F ZINC000038071020 174081805 /nfs/dbraw/zinc/08/18/05/174081805.db2.gz PUTDWENAEXJZKH-UHFFFAOYSA-N 1 0 265.715 3.613 10 0 CHAERO CCC[NH2+]Cc1cccc(-c2cccc(OC)c2)c1 ZINC000038071465 174082137 /nfs/dbraw/zinc/08/21/37/174082137.db2.gz MIZNXBGRVMNOCZ-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1cc(F)ccc1OC ZINC000038073401 174083419 /nfs/dbraw/zinc/08/34/19/174083419.db2.gz NKOVFBUEYCJHRJ-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO C[NH2+]Cc1ccc(F)c(-c2ccc3c(c2)CCC3)c1 ZINC000038073351 174083449 /nfs/dbraw/zinc/08/34/49/174083449.db2.gz RVSRIBJOCMNDGC-UHFFFAOYSA-N 1 0 255.336 3.701 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccc(OC)c(F)c2)cc1 ZINC000038073675 174084040 /nfs/dbraw/zinc/08/40/40/174084040.db2.gz KKGWZDNZYJDLLV-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO C[NH2+][C@@H]1CCOc2c(Br)c3ccccc3cc21 ZINC000038077589 174088023 /nfs/dbraw/zinc/08/80/23/174088023.db2.gz IVBQCXJBNJZUPK-GFCCVEGCSA-N 1 0 292.176 3.645 10 0 CHAERO [NH3+][C@]1(c2ccccc2Cl)CCCc2ccccc21 ZINC000038078311 174088700 /nfs/dbraw/zinc/08/87/00/174088700.db2.gz VBVNTBOBKABPMB-MRXNPFEDSA-N 1 0 257.764 3.879 10 0 CHAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@H](C)N(C)C ZINC000038087353 174099914 /nfs/dbraw/zinc/09/99/14/174099914.db2.gz PHNMEPOVFGIWHZ-WCQYABFASA-N 1 0 276.449 3.810 10 0 CHAERO COc1cccc(C2CC([NH2+]CCCC(C)C)C2)c1 ZINC000038093612 174107530 /nfs/dbraw/zinc/10/75/30/174107530.db2.gz BBPHUSUQXSODCA-UHFFFAOYSA-N 1 0 261.409 3.967 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1F ZINC000038130509 174131605 /nfs/dbraw/zinc/13/16/05/174131605.db2.gz NBGUHIQHTKYVKZ-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)c1sccc1C ZINC000038134757 174132142 /nfs/dbraw/zinc/13/21/42/174132142.db2.gz XJDPGAXMEKBFSX-HNNXBMFYSA-N 1 0 275.417 3.958 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1OC)c1cccc(C)c1 ZINC000038134880 174132265 /nfs/dbraw/zinc/13/22/65/174132265.db2.gz OHISMYVCDQRILU-INIZCTEOSA-N 1 0 255.361 3.507 10 0 CHAERO [NH3+]C[C@@H](c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC000039034760 174161649 /nfs/dbraw/zinc/16/16/49/174161649.db2.gz KVVCIDSVNYZYSW-ZDUSSCGKSA-N 1 0 287.234 3.869 10 0 CHAERO CC(C)c1ccc([C@@H](CN)[NH+]2CCCCCC2)cc1 ZINC000039142614 174164101 /nfs/dbraw/zinc/16/41/01/174164101.db2.gz YVEJUYCIIDSIIN-QGZVFWFLSA-N 1 0 260.425 3.686 10 0 CHAERO [NH3+]C[C@H](c1ccc(Cl)cc1Cl)N1CCCCCC1 ZINC000039142606 174164544 /nfs/dbraw/zinc/16/45/44/174164544.db2.gz VOTKQXKBHQRRPI-CQSZACIVSA-N 1 0 287.234 3.869 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH3+])CN2Cc1ccc(Cl)cc1 ZINC000039941608 174175546 /nfs/dbraw/zinc/17/55/46/174175546.db2.gz FRXFNZTVNUUJSY-OAHLLOKOSA-N 1 0 272.779 3.668 10 0 CHAERO C[C@@H]1CCC[C@H](OC[C@H]([NH3+])c2cc(F)ccc2F)C1 ZINC000040177345 174202235 /nfs/dbraw/zinc/20/22/35/174202235.db2.gz HIGAIENNXPVYSK-GMXABZIVSA-N 1 0 269.335 3.560 10 0 CHAERO CC[C@@H](C)n1c2cc(Cl)ccc2nc1[C@@H](C)[NH3+] ZINC000040408251 174254263 /nfs/dbraw/zinc/25/42/63/174254263.db2.gz MWADDADBYROWOS-RKDXNWHRSA-N 1 0 251.761 3.680 10 0 CHAERO CC[C@@H](C)n1c2cc(Cl)ccc2nc1[C@H](C)[NH3+] ZINC000040408259 174254299 /nfs/dbraw/zinc/25/42/99/174254299.db2.gz MWADDADBYROWOS-BDAKNGLRSA-N 1 0 251.761 3.680 10 0 CHAERO CCCn1c2cc(Cl)ccc2nc1[C@H]1CCC[NH2+]1 ZINC000040417583 174255932 /nfs/dbraw/zinc/25/59/32/174255932.db2.gz VZTOMTOKYJHICY-GFCCVEGCSA-N 1 0 263.772 3.524 10 0 CHAERO C[NH2+]C[C@@H](C)c1nc(-c2ccc(C)c(C)c2)cs1 ZINC000041348757 174529447 /nfs/dbraw/zinc/52/94/47/174529447.db2.gz NKZJVWWLIXJPSJ-GFCCVEGCSA-N 1 0 260.406 3.750 10 0 CHAERO [NH3+][C@@H](c1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000041655583 174593455 /nfs/dbraw/zinc/59/34/55/174593455.db2.gz HSGXBXDXSRGRQK-ZDUSSCGKSA-N 1 0 253.679 3.666 10 0 CHAERO CCC[NH2+]Cc1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000042355545 174693939 /nfs/dbraw/zinc/69/39/39/174693939.db2.gz AZMOZOTUNPIPMD-UHFFFAOYSA-N 1 0 297.324 3.699 10 0 CHAERO [NH3+]C[C@H](Sc1ccc2c(c1)CCC2)c1ccccc1 ZINC000042900452 174905386 /nfs/dbraw/zinc/90/53/86/174905386.db2.gz WQWMJSIQGNPWQI-KRWDZBQOSA-N 1 0 269.413 3.967 10 0 CHAERO CCc1ccc(O[C@@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000042903127 174906857 /nfs/dbraw/zinc/90/68/57/174906857.db2.gz HPXFTXKLCXCGEH-CXAGYDPISA-N 1 0 255.361 3.716 10 0 CHAERO Cc1csc(S[C@@H](c2ccc(F)cc2)[C@H](C)[NH3+])n1 ZINC000042943346 174918790 /nfs/dbraw/zinc/91/87/90/174918790.db2.gz JSLVHMMUFAYDRM-JOYOIKCWSA-N 1 0 282.409 3.771 10 0 CHAERO CCCCS[C@@H](c1ccc(OC)cc1)[C@H](C)[NH3+] ZINC000042965020 174928573 /nfs/dbraw/zinc/92/85/73/174928573.db2.gz CKJCHVZAJOGABG-SMDDNHRTSA-N 1 0 253.411 3.617 10 0 CHAERO COc1ccc([C@@H](C[NH3+])SC2CCCCC2)cc1 ZINC000042965139 174928609 /nfs/dbraw/zinc/92/86/09/174928609.db2.gz OHOHBLCJGBCOMS-OAHLLOKOSA-N 1 0 265.422 3.761 10 0 CHAERO CC[C@@H]([NH3+])[C@H](SCC(C)C)c1ccc(OC)cc1 ZINC000042964915 174928875 /nfs/dbraw/zinc/92/88/75/174928875.db2.gz IHDNDZUGTXIFQE-HUUCEWRRSA-N 1 0 267.438 3.863 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OCc1ccco1)c1cccc(C)c1 ZINC000042967926 174931826 /nfs/dbraw/zinc/93/18/26/174931826.db2.gz ZNPUGBWVOHTGRY-HZPDHXFCSA-N 1 0 259.349 3.583 10 0 CHAERO Cc1ccccc1O[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042973538 174937075 /nfs/dbraw/zinc/93/70/75/174937075.db2.gz OYQWVAPAGBGOQE-LRDDRELGSA-N 1 0 259.324 3.601 10 0 CHAERO Cc1ccc(O[C@@H](c2cccc(F)c2)[C@H](C)[NH3+])cc1 ZINC000042973667 174937341 /nfs/dbraw/zinc/93/73/41/174937341.db2.gz WBIMBPOKPFDEIN-BLLLJJGKSA-N 1 0 259.324 3.601 10 0 CHAERO C[C@@H]([NH3+])[C@@H](OC1CCCCC1)c1cccc(F)c1 ZINC000042973284 174937363 /nfs/dbraw/zinc/93/73/63/174937363.db2.gz KPJXKGWBAJWMQA-IAQYHMDHSA-N 1 0 251.345 3.563 10 0 CHAERO [NH3+]C[C@H](Sc1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000042974634 174938081 /nfs/dbraw/zinc/93/80/81/174938081.db2.gz WSDXWCSDXUCDHE-AWEZNQCLSA-N 1 0 283.318 3.896 10 0 CHAERO C[C@@H]1CCC[C@H](O[C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000043018464 174943866 /nfs/dbraw/zinc/94/38/66/174943866.db2.gz QPZAKCBJMBRMDC-UGFHNGPFSA-N 1 0 267.800 3.935 10 0 CHAERO C[C@@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000043017896 174943984 /nfs/dbraw/zinc/94/39/84/174943984.db2.gz QPVPXKQDMXLIOH-UGFHNGPFSA-N 1 0 267.800 3.935 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1cnn(C)c1)c1cccc(Cl)c1 ZINC000043019771 174945118 /nfs/dbraw/zinc/94/51/18/174945118.db2.gz CBUHAVAUOUAXQH-ZIAGYGMSSA-N 1 0 295.839 3.644 10 0 CHAERO CCC[NH+](CCC)[C@H](c1ccccc1C)[C@H](N)CC ZINC000043033621 174949785 /nfs/dbraw/zinc/94/97/85/174949785.db2.gz NPEOLBLNPCSSLJ-IAGOWNOFSA-N 1 0 262.441 3.895 10 0 CHAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)Cc1ccsc1 ZINC000043051398 174959725 /nfs/dbraw/zinc/95/97/25/174959725.db2.gz VFTADIBUMHQCJO-XHDPSFHLSA-N 1 0 294.851 3.922 10 0 CHAERO COc1cc(C)ccc1O[C@H](c1cccs1)[C@H](C)[NH3+] ZINC000043109052 174973721 /nfs/dbraw/zinc/97/37/21/174973721.db2.gz UJJHGXVCBMWIHI-NHYWBVRUSA-N 1 0 277.389 3.532 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1ccccn1)c1cccs1 ZINC000043113079 174975036 /nfs/dbraw/zinc/97/50/36/174975036.db2.gz ZXQGBUGRRPQKQC-MFKMUULPSA-N 1 0 264.419 3.714 10 0 CHAERO C[NH2+][C@@H](c1cc(F)cc(F)c1)c1ccccc1Cl ZINC000043387880 175033306 /nfs/dbraw/zinc/03/33/06/175033306.db2.gz FWHOVZRHGIKPPS-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1cc(F)ccc1F ZINC000043459037 175050487 /nfs/dbraw/zinc/05/04/87/175050487.db2.gz UGBWZIOMJXHHFT-NEPJUHHUSA-N 1 0 255.352 3.922 10 0 CHAERO COc1ccc(Cl)cc1[C@H]([NH3+])c1cc(C)oc1C ZINC000043611406 175079438 /nfs/dbraw/zinc/07/94/38/175079438.db2.gz ZVVBKFZHODSPFH-CQSZACIVSA-N 1 0 265.740 3.607 10 0 CHAERO CC[NH2+][C@H]1CCCCC[C@@H]1CCOCCC(C)C ZINC000043651013 175085334 /nfs/dbraw/zinc/08/53/34/175085334.db2.gz WEXQUCKRCIXQRP-CVEARBPZSA-N 1 0 255.446 3.998 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@H]1Cc1ccc(Br)s1 ZINC000043650486 175085424 /nfs/dbraw/zinc/08/54/24/175085424.db2.gz PUMQXAVZCFOUDD-GXSJLCMTSA-N 1 0 288.254 3.961 10 0 CHAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@H]1CCOCC ZINC000043649920 175085496 /nfs/dbraw/zinc/08/54/96/175085496.db2.gz KIDXYNWEJAENGC-RDJZCZTQSA-N 1 0 261.409 3.716 10 0 CHAERO [NH3+][C@H]1CCCC[C@H]1Cc1sccc1Br ZINC000043676314 175088232 /nfs/dbraw/zinc/08/82/32/175088232.db2.gz HFGGPQULCBEQLY-WPRPVWTQSA-N 1 0 274.227 3.571 10 0 CHAERO [NH3+]Cc1ccccc1OCc1cc(Br)cs1 ZINC000043686717 175094335 /nfs/dbraw/zinc/09/43/35/175094335.db2.gz LLTPKSPBEBPOKJ-UHFFFAOYSA-N 1 0 298.205 3.548 10 0 CHAERO CC[C@@H](Cc1cc(Br)cs1)[C@H](C)[NH2+]C ZINC000043688077 175095458 /nfs/dbraw/zinc/09/54/58/175095458.db2.gz FNVAXVIWGNRADH-IUCAKERBSA-N 1 0 276.243 3.687 10 0 CHAERO CCCc1ccc([C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000044118247 175142041 /nfs/dbraw/zinc/14/20/41/175142041.db2.gz UKJWNVGDMKKDKJ-QGZVFWFLSA-N 1 0 261.409 3.549 10 0 CHAERO CCCc1ccc([C@@H](O)C[NH+](CCC)CCC)cc1 ZINC000044120197 175142921 /nfs/dbraw/zinc/14/29/21/175142921.db2.gz PSJBYTWLIZSMRD-KRWDZBQOSA-N 1 0 263.425 3.795 10 0 CHAERO CCCc1ccc([C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121876 175143084 /nfs/dbraw/zinc/14/30/84/175143084.db2.gz JICXLKONOIVWJB-MPGHIAIKSA-N 1 0 275.436 3.935 10 0 CHAERO CC(C)Oc1ccc([C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121906 175143433 /nfs/dbraw/zinc/14/34/33/175143433.db2.gz IQSLOBUTJPJQFO-MPGHIAIKSA-N 1 0 291.435 3.770 10 0 CHAERO CCOC[C@@H](C)[NH2+][C@H](C)c1sccc1Br ZINC000044691769 175233994 /nfs/dbraw/zinc/23/39/94/175233994.db2.gz CBMQZYZVFYRXHC-RKDXNWHRSA-N 1 0 292.242 3.586 10 0 CHAERO CC(C)n1nc(C[NH2+]C2CCCC2)c(-c2ccccc2)n1 ZINC000045944878 175387502 /nfs/dbraw/zinc/38/75/02/175387502.db2.gz NWKWWJKSTQFYDO-UHFFFAOYSA-N 1 0 284.407 3.558 10 0 CHAERO CC[NH2+]CCC[C@@H](C)Oc1ccc(F)cc1Cl ZINC000052645934 175536392 /nfs/dbraw/zinc/53/63/92/175536392.db2.gz VHDLZJBTSALWSK-SNVBAGLBSA-N 1 0 259.752 3.636 10 0 CHAERO c1ccc(CCC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000070209492 175882047 /nfs/dbraw/zinc/88/20/47/175882047.db2.gz ZIFKNYPBHUTZEG-SFHVURJKSA-N 1 0 251.373 3.896 10 0 CHAERO CCC[NH2+][C@H](C)c1csc(-c2cccs2)n1 ZINC000070841774 176008548 /nfs/dbraw/zinc/00/85/48/176008548.db2.gz ZOMAWKLUFQEYJW-SECBINFHSA-N 1 0 252.408 3.932 10 0 CHAERO CCC[NH2+][C@@H](CCc1cc(F)ccc1F)C1CC1 ZINC000070940912 176014362 /nfs/dbraw/zinc/01/43/62/176014362.db2.gz JTNLCJXCNUDNFP-HNNXBMFYSA-N 1 0 253.336 3.676 10 0 CHAERO C[C@@H]1CCC[C@H]([NH2+]CCOc2cc(F)ccc2F)C1 ZINC000071168926 176049939 /nfs/dbraw/zinc/04/99/39/176049939.db2.gz HDYUTZDTXQZRIQ-YPMHNXCESA-N 1 0 269.335 3.512 10 0 CHAERO C[C@H](OCc1ccc(F)cc1C[NH3+])c1ccccc1 ZINC000071264188 176097413 /nfs/dbraw/zinc/09/74/13/176097413.db2.gz JIFAIRNNGPMGFG-LBPRGKRZSA-N 1 0 259.324 3.562 10 0 CHAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCC1CCCC1 ZINC000071412266 176157666 /nfs/dbraw/zinc/15/76/66/176157666.db2.gz OIIIWERHEZWOQT-INIZCTEOSA-N 1 0 261.409 3.844 10 0 CHAERO C/C(=C\CCC[NH3+])c1ccc(OC(C)C)c(F)c1 ZINC000071573370 176199745 /nfs/dbraw/zinc/19/97/45/176199745.db2.gz YAGQCGGDCYHZTI-WUXMJOGZSA-N 1 0 251.345 3.755 10 0 CHAERO [NH3+]C1(c2cc(Br)cs2)CCCCC1 ZINC000071586017 176212359 /nfs/dbraw/zinc/21/23/59/176212359.db2.gz CVQNVEXGTLSJQW-UHFFFAOYSA-N 1 0 260.200 3.629 10 0 CHAERO CC[NH2+][C@@H](C(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000071587895 176215677 /nfs/dbraw/zinc/21/56/77/176215677.db2.gz RVAMGYCRHUAKOF-OAHLLOKOSA-N 1 0 261.409 3.801 10 0 CHAERO COc1c(Cl)cc(Cl)cc1CCCCC[NH3+] ZINC000071588380 176216411 /nfs/dbraw/zinc/21/64/11/176216411.db2.gz YTFVBQOBCPRXOL-UHFFFAOYSA-N 1 0 262.180 3.674 10 0 CHAERO CCOc1cc(C)c([C@H](CC[NH3+])C2CC2)cc1Cl ZINC000071599477 176224717 /nfs/dbraw/zinc/22/47/17/176224717.db2.gz TXXMXIICGIRSIH-GFCCVEGCSA-N 1 0 267.800 3.890 10 0 CHAERO C[C@](O)(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000071631851 176236884 /nfs/dbraw/zinc/23/68/84/176236884.db2.gz VIAWOZKCIGQCEN-MOPGFXCFSA-N 1 0 281.399 3.561 10 0 CHAERO COc1cc(C)c(Cl)cc1[C@@H](C)CC[NH2+]C1CC1 ZINC000076397612 177014890 /nfs/dbraw/zinc/01/48/90/177014890.db2.gz MFXBSYQXKPILDE-JTQLQIEISA-N 1 0 267.800 3.903 10 0 CHAERO COc1cc(C)c(Cl)cc1[C@H](C)CC[NH2+]C1CC1 ZINC000076397616 177015412 /nfs/dbraw/zinc/01/54/12/177015412.db2.gz MFXBSYQXKPILDE-SNVBAGLBSA-N 1 0 267.800 3.903 10 0 CHAERO CCc1ccc([C@@H](CC[NH3+])Cc2ccccc2)cc1 ZINC000076657724 177046902 /nfs/dbraw/zinc/04/69/02/177046902.db2.gz XYRJFOSJKBMQNK-SFHVURJKSA-N 1 0 253.389 3.924 10 0 CHAERO CCCCc1ccc([C@@H](C[NH3+])c2ccncc2)cc1 ZINC000076658312 177047148 /nfs/dbraw/zinc/04/71/48/177047148.db2.gz ONIJYDWAXIZNSJ-QGZVFWFLSA-N 1 0 254.377 3.515 10 0 CHAERO Cc1cc([C@H](CC[NH3+])CCc2ccccc2)c(C)[nH]1 ZINC000076663276 177049654 /nfs/dbraw/zinc/04/96/54/177049654.db2.gz XWGQFQCQFRYNTJ-INIZCTEOSA-N 1 0 256.393 3.697 10 0 CHAERO CC(C)(C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000076673852 177055092 /nfs/dbraw/zinc/05/50/92/177055092.db2.gz ZOAKERNHYTZWFI-SSDOTTSWSA-N 1 0 262.216 3.599 10 0 CHAERO CC(C)(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000076673860 177055293 /nfs/dbraw/zinc/05/52/93/177055293.db2.gz YYTCMUIYGBMYFJ-QMMMGPOBSA-N 1 0 262.216 3.599 10 0 CHAERO [NH3+]CC[C@@H](CCc1cccc(Cl)c1)c1cccnc1 ZINC000076722133 177070030 /nfs/dbraw/zinc/07/00/30/177070030.db2.gz HBVRCQMJISNPHH-CQSZACIVSA-N 1 0 274.795 3.800 10 0 CHAERO CC[NH+](CC)CC[C@H](O)c1ccc2ccccc2c1 ZINC000076732263 177073341 /nfs/dbraw/zinc/07/33/41/177073341.db2.gz VRHNVVBKJJBWNN-KRWDZBQOSA-N 1 0 257.377 3.605 10 0 CHAERO CC[NH2+]CCc1csc(-c2ccc(CC)cc2)n1 ZINC000076783290 177091314 /nfs/dbraw/zinc/09/13/14/177091314.db2.gz RMQSXIHXYYZIEA-UHFFFAOYSA-N 1 0 260.406 3.525 10 0 CHAERO CC[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1COC ZINC000077071702 177187794 /nfs/dbraw/zinc/18/77/94/177187794.db2.gz ORJJBDRTGVRQNZ-UHFFFAOYSA-N 1 0 281.783 3.959 10 0 CHAERO Cc1cc(N2CC=C(c3cccs3)CC2)cc[nH+]1 ZINC000302603238 227869594 /nfs/dbraw/zinc/86/95/94/227869594.db2.gz ZCEPNGJQZYUWJU-UHFFFAOYSA-N 1 0 256.374 3.745 10 0 CHAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000068589547 260143020 /nfs/dbraw/zinc/14/30/20/260143020.db2.gz LKCROBBMJQANQV-IIAWOOMASA-N 1 0 286.419 3.653 10 0 CHAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000070314681 260156124 /nfs/dbraw/zinc/15/61/24/260156124.db2.gz GEKGTHFORDPOGP-CYBMUJFWSA-N 1 0 284.359 3.545 10 0 CHAERO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C)c3ccccc32)C[C@@]1(C)C[NH3+] ZINC000312578678 260157826 /nfs/dbraw/zinc/15/78/26/260157826.db2.gz CFUMJDVGBYUSCA-KJWYOANISA-N 1 0 272.436 3.542 10 0 CHAERO CCC(CC)[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)c1ccccc1 ZINC000087522536 260187354 /nfs/dbraw/zinc/18/73/54/260187354.db2.gz OFISONNDKYDLCO-DLBZAZTESA-N 1 0 290.451 3.511 10 0 CHAERO CC1CCC(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000312686901 260190917 /nfs/dbraw/zinc/19/09/17/260190917.db2.gz DRHJTAIAJYKOKY-YXYCDRMUSA-N 1 0 279.468 3.828 10 0 CHAERO C[C@@H]([NH2+]CCC(C)(C)O)c1c(Cl)ccc(F)c1Cl ZINC000310912401 260231934 /nfs/dbraw/zinc/23/19/34/260231934.db2.gz FIQMVXDPQRPIKP-MRVPVSSYSA-N 1 0 294.197 3.944 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)CCc2ccco2)c1 ZINC000091009838 260264548 /nfs/dbraw/zinc/26/45/48/260264548.db2.gz RFSLXCVYJSUERK-CQSZACIVSA-N 1 0 260.381 3.602 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000091011400 260264672 /nfs/dbraw/zinc/26/46/72/260264672.db2.gz ZIATZPWIZYDOBO-MRXNPFEDSA-N 1 0 270.376 3.512 10 0 CHAERO CCn1cccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000091023870 260265037 /nfs/dbraw/zinc/26/50/37/260265037.db2.gz RDKXQCLRLDRXAB-HNNXBMFYSA-N 1 0 290.407 3.974 10 0 CHAERO CCn1cccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000091025186 260265200 /nfs/dbraw/zinc/26/52/00/260265200.db2.gz YXHFDJMZUNURIO-NEPJUHHUSA-N 1 0 274.330 3.719 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000126636590 260355016 /nfs/dbraw/zinc/35/50/16/260355016.db2.gz AOIHPTYWWVGULO-RLFYNMQTSA-N 1 0 272.436 3.699 10 0 CHAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000085963565 260381551 /nfs/dbraw/zinc/38/15/51/260381551.db2.gz MVYABAPEQCJJGG-FZMZJTMJSA-N 1 0 288.218 3.634 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)CCSCC)c1 ZINC000160001784 260941217 /nfs/dbraw/zinc/94/12/17/260941217.db2.gz BIIFLQOJJWQJNC-ZDUSSCGKSA-N 1 0 254.443 3.519 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CCCC1)CC2 ZINC000092837478 261061067 /nfs/dbraw/zinc/06/10/67/261061067.db2.gz RNSFAFCJGYDNAR-YVEFUNNKSA-N 1 0 259.393 3.851 10 0 CHAERO CSc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000173433745 261163725 /nfs/dbraw/zinc/16/37/25/261163725.db2.gz OWRYDOSBRYGNFE-BJJXKVORSA-N 1 0 279.449 3.610 10 0 CHAERO CCC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccccc1 ZINC000300410698 261198788 /nfs/dbraw/zinc/19/87/88/261198788.db2.gz JPUYOPIDWNSQLA-ULQDDVLXSA-N 1 0 261.409 3.669 10 0 CHAERO COc1ccccc1C1CC([NH2+]Cc2ccc(C)o2)C1 ZINC000053036365 261272051 /nfs/dbraw/zinc/27/20/51/261272051.db2.gz HVIPAOVVMJYUNC-UHFFFAOYSA-N 1 0 271.360 3.632 10 0 CHAERO Cc1cnn(CCCCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000104099596 261290562 /nfs/dbraw/zinc/29/05/62/261290562.db2.gz SPVJLEBAYLVOKO-UHFFFAOYSA-N 1 0 289.398 3.633 10 0 CHAERO CCc1nccn1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000106212094 261322964 /nfs/dbraw/zinc/32/29/64/261322964.db2.gz YSAJOQBJIQYWKO-INIZCTEOSA-N 1 0 275.440 3.663 10 0 CHAERO CC(C)(CCO)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000178165326 261377269 /nfs/dbraw/zinc/37/72/69/261377269.db2.gz NIPJYZYUEOHCDT-KGLIPLIRSA-N 1 0 255.446 3.590 10 0 CHAERO CC(C)(CCO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000178165338 261377701 /nfs/dbraw/zinc/37/77/01/261377701.db2.gz NIPJYZYUEOHCDT-KBPBESRZSA-N 1 0 255.446 3.590 10 0 CHAERO CS[C@H](C)C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000168458223 261415872 /nfs/dbraw/zinc/41/58/72/261415872.db2.gz JIIYJNOXSSEHMX-DOMZBBRYSA-N 1 0 261.390 3.710 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C ZINC000221357693 261818144 /nfs/dbraw/zinc/81/81/44/261818144.db2.gz BDOQRKPUMGSQKO-LMOYCYGVSA-N 1 0 277.456 3.995 10 0 CHAERO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000186420509 262092905 /nfs/dbraw/zinc/09/29/05/262092905.db2.gz RFCLROLSERSZHV-KKUMJFAQSA-N 1 0 292.448 3.509 10 0 CHAERO Cc1nn(C)cc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000119315857 262159177 /nfs/dbraw/zinc/15/91/77/262159177.db2.gz QUPUGBBVLQFKIC-QGZVFWFLSA-N 1 0 283.419 3.532 10 0 CHAERO COc1cccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000120423294 262194918 /nfs/dbraw/zinc/19/49/18/262194918.db2.gz BJYIBGHREVFTAS-DNVCBOLYSA-N 1 0 298.430 3.649 10 0 CHAERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1cccc(C)c1 ZINC000311338665 262237614 /nfs/dbraw/zinc/23/76/14/262237614.db2.gz JQQALIBXSJHDME-IAGOWNOFSA-N 1 0 260.425 3.520 10 0 CHAERO Fc1cc(F)cc(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000221878699 262315585 /nfs/dbraw/zinc/31/55/85/262315585.db2.gz MMQOFMGGOLCOAD-HNNXBMFYSA-N 1 0 275.298 3.578 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCC2(F)F)c1C ZINC000390856476 262354468 /nfs/dbraw/zinc/35/44/68/262354468.db2.gz JTKNKFIRCDKYNA-GXFFZTMASA-N 1 0 285.382 3.606 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000094826917 265259983 /nfs/dbraw/zinc/25/99/83/265259983.db2.gz IOUARYFPYTXHGQ-WBMJQRKESA-N 1 0 284.394 3.592 10 0 CHAERO CC(C)Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000094895987 265271100 /nfs/dbraw/zinc/27/11/00/265271100.db2.gz AVEOCEIJLGRGGL-PBHICJAKSA-N 1 0 261.409 3.542 10 0 CHAERO c1coc([C@@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000116292645 267138128 /nfs/dbraw/zinc/13/81/28/267138128.db2.gz MIBLOUXPVAFBFD-KRWDZBQOSA-N 1 0 293.370 3.802 10 0 CHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1C ZINC000122767038 267923597 /nfs/dbraw/zinc/92/35/97/267923597.db2.gz VEPSWTCKNJZQGU-SFHVURJKSA-N 1 0 297.446 3.991 10 0 CHAERO Cc1ccsc1C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000122766083 267923938 /nfs/dbraw/zinc/92/39/38/267923938.db2.gz AJTXLFDFVXCXDP-AWEZNQCLSA-N 1 0 289.448 3.744 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)CC(C)(C)C1 ZINC000384109011 336121987 /nfs/dbraw/zinc/12/19/87/336121987.db2.gz GXFFOTAQSLRUDM-MCIONIFRSA-N 1 0 255.471 3.934 10 0 CHAERO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)oc1C ZINC000104074411 328775843 /nfs/dbraw/zinc/77/58/43/328775843.db2.gz HHHOLINBWIRFKN-KBPBESRZSA-N 1 0 264.413 3.986 10 0 CHAERO COCCCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000300409877 329340150 /nfs/dbraw/zinc/34/01/50/329340150.db2.gz CGCXORXIWPDMRZ-OWCLPIDISA-N 1 0 255.446 3.854 10 0 CHAERO CC(C)CCN(CCC(C)C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000037804676 326862730 /nfs/dbraw/zinc/86/27/30/326862730.db2.gz VGLQXMRWINNANJ-QGZVFWFLSA-N 1 0 290.451 3.607 10 0 CHAERO CC(C)C[C@H](CO)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000222605731 327012222 /nfs/dbraw/zinc/01/22/22/327012222.db2.gz WWIULCFOIFVHKI-CPUCHLNUSA-N 1 0 261.409 3.622 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000252709405 327029683 /nfs/dbraw/zinc/02/96/83/327029683.db2.gz CUSHFUXKCNJMKC-RQSQLSILSA-N 1 0 280.209 3.995 10 0 CHAERO CCn1cncc1C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000090170434 327031595 /nfs/dbraw/zinc/03/15/95/327031595.db2.gz KPRDFZJWIUNAJV-OAHLLOKOSA-N 1 0 285.435 3.952 10 0 CHAERO CC[C@@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccccc1 ZINC000053341386 327232317 /nfs/dbraw/zinc/23/23/17/327232317.db2.gz OXDLEIJSNCTZFU-QGZVFWFLSA-N 1 0 288.435 3.566 10 0 CHAERO Cc1cc(-c2csc([C@@H](C)[NH3+])n2)c(Cl)cc1F ZINC000335698231 327516746 /nfs/dbraw/zinc/51/67/46/327516746.db2.gz NCYSAFHCOHICRE-SSDOTTSWSA-N 1 0 270.760 3.931 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000300410646 332814260 /nfs/dbraw/zinc/81/42/60/332814260.db2.gz JFGJFEKSDSONBE-WRQOLXDDSA-N 1 0 267.457 3.588 10 0 CHAERO CCCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000324642297 328763533 /nfs/dbraw/zinc/76/35/33/328763533.db2.gz XUWDXDYLODNSEU-JKSUJKDBSA-N 1 0 263.425 3.915 10 0 CHAERO Cc1cccc2c(NC[C@H]3CCC[C@H](O)C3)cc[nH+]c12 ZINC000301684997 328829678 /nfs/dbraw/zinc/82/96/78/328829678.db2.gz UDIYPDMHUVMOEG-KBPBESRZSA-N 1 0 270.376 3.506 10 0 CHAERO Cc1cnn([C@@H]2CCCN(Cc3ccc(Cl)s3)C2)c1 ZINC000171532303 329077114 /nfs/dbraw/zinc/07/71/14/329077114.db2.gz ISRUSAZXQSYPJR-GFCCVEGCSA-N 1 0 295.839 3.744 10 0 CHAERO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c(C)s1 ZINC000172270973 329084270 /nfs/dbraw/zinc/08/42/70/329084270.db2.gz HVPKBFDTBLRASB-OAHLLOKOSA-N 1 0 275.421 3.815 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)c1 ZINC000172290242 329084528 /nfs/dbraw/zinc/08/45/28/329084528.db2.gz PKFOLQQNVGCWRY-LJQANCHMSA-N 1 0 295.430 3.517 10 0 CHAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000175653247 329167693 /nfs/dbraw/zinc/16/76/93/329167693.db2.gz QHZYDPXJOGWFOH-DOTOQJQBSA-N 1 0 299.418 3.598 10 0 CHAERO C[C@H]([NH2+][C@H](c1ccncc1)c1ccc(F)cc1)C1CC1 ZINC000177313097 329185964 /nfs/dbraw/zinc/18/59/64/329185964.db2.gz XDZPPKCGPYWFBN-SJCJKPOMSA-N 1 0 270.351 3.698 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC000180120935 329211971 /nfs/dbraw/zinc/21/19/71/329211971.db2.gz FAMZFDGCKRLFRK-QGZVFWFLSA-N 1 0 275.440 3.626 10 0 CHAERO C[C@@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccoc1 ZINC000180016387 329214598 /nfs/dbraw/zinc/21/45/98/329214598.db2.gz PKRMXGDVAFEUIL-ZIAGYGMSSA-N 1 0 270.376 3.554 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccoc1 ZINC000180016374 329214608 /nfs/dbraw/zinc/21/46/08/329214608.db2.gz PKRMXGDVAFEUIL-UONOGXRCSA-N 1 0 270.376 3.554 10 0 CHAERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccsc1 ZINC000180399928 329215848 /nfs/dbraw/zinc/21/58/48/329215848.db2.gz NJPAYMFBPMUEDG-BXUZGUMPSA-N 1 0 286.400 3.525 10 0 CHAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1nc2ccccc2o1 ZINC000182435569 329239435 /nfs/dbraw/zinc/23/94/35/329239435.db2.gz KZDMLDKVYLCIHB-GFCCVEGCSA-N 1 0 293.370 3.946 10 0 CHAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1nc2ccccc2o1 ZINC000182435555 329239631 /nfs/dbraw/zinc/23/96/31/329239631.db2.gz KZDMLDKVYLCIHB-LBPRGKRZSA-N 1 0 293.370 3.946 10 0 CHAERO Cc1cccc(C2CC([NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000228554018 329344150 /nfs/dbraw/zinc/34/41/50/329344150.db2.gz KFXSSUJOVGUACU-JEYLPNPQSA-N 1 0 261.434 3.584 10 0 CHAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000063191513 329373733 /nfs/dbraw/zinc/37/37/33/329373733.db2.gz JXDTZOWGTARQKP-QMTHXVAHSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000063191943 329373853 /nfs/dbraw/zinc/37/38/53/329373853.db2.gz OLUXBFPZVRAKRP-IINYFYTJSA-N 1 0 287.234 3.695 10 0 CHAERO Cc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)s1 ZINC000189955230 329390822 /nfs/dbraw/zinc/39/08/22/329390822.db2.gz LLWYZNJETJBFLJ-UHFFFAOYSA-N 1 0 293.461 3.590 10 0 CHAERO CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(Cl)cc1 ZINC000040773957 329558045 /nfs/dbraw/zinc/55/80/45/329558045.db2.gz HWCBIQWHCACFIX-CABCVRRESA-N 1 0 269.816 3.788 10 0 CHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000246347524 329837671 /nfs/dbraw/zinc/83/76/71/329837671.db2.gz HJHMZLMFDKKHKM-KFWWJZLASA-N 1 0 290.455 3.616 10 0 CHAERO CCCCCC[C@](C)(CC)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248615162 329895882 /nfs/dbraw/zinc/89/58/82/329895882.db2.gz LUAVIAQDZUTSGM-OVWQWFNUSA-N 1 0 294.483 3.569 10 0 CHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000248705461 329897431 /nfs/dbraw/zinc/89/74/31/329897431.db2.gz ATFRUTRMGGLQIR-DHSIGJKJSA-N 1 0 289.419 3.612 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1csc(Cl)c1 ZINC000248714788 329897730 /nfs/dbraw/zinc/89/77/30/329897730.db2.gz RENANOAHLQPVGE-VVUYAAESSA-N 1 0 285.840 3.866 10 0 CHAERO CC1(C)[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H]2CCCO[C@H]21 ZINC000248772270 329899055 /nfs/dbraw/zinc/89/90/55/329899055.db2.gz HJMQFSMXVMXBRZ-RRFJBIMHSA-N 1 0 295.373 3.917 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(Cl)c1 ZINC000248926520 329902755 /nfs/dbraw/zinc/90/27/55/329902755.db2.gz XGYQSHZASJKYQZ-IUIKQTSFSA-N 1 0 279.811 3.948 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000252716157 329945544 /nfs/dbraw/zinc/94/55/44/329945544.db2.gz XSUAYCMUAWSDDW-JFUSQASVSA-N 1 0 253.798 3.875 10 0 CHAERO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000285384953 329954184 /nfs/dbraw/zinc/95/41/84/329954184.db2.gz GXECOALLHKBFDZ-AWEZNQCLSA-N 1 0 271.408 3.703 10 0 CHAERO Cc1sc([C@@H](C)[NH3+])nc1-c1ccccc1Br ZINC000259078735 329968656 /nfs/dbraw/zinc/96/86/56/329968656.db2.gz CUFGQVYTUPCXRF-SSDOTTSWSA-N 1 0 297.221 3.901 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC[C@H]2CC=CCC2)c1C ZINC000527979782 330298181 /nfs/dbraw/zinc/29/81/81/330298181.db2.gz HCSCSZFVEHWCMT-BBRMVZONSA-N 1 0 275.440 3.917 10 0 CHAERO C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000044674172 330331589 /nfs/dbraw/zinc/33/15/89/330331589.db2.gz OAZQOVGBEZLABP-WQVCFCJDSA-N 1 0 281.355 3.622 10 0 CHAERO c1cnn(CC2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c1 ZINC000106183174 330332780 /nfs/dbraw/zinc/33/27/80/330332780.db2.gz UOQCRHRGXNHSSS-LJQANCHMSA-N 1 0 295.430 3.673 10 0 CHAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(C(C)C)cc2)c1 ZINC000106402688 330337569 /nfs/dbraw/zinc/33/75/69/330337569.db2.gz LMYKYJWALSOCAF-HNNXBMFYSA-N 1 0 271.408 3.666 10 0 CHAERO CCn1cc(C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)cn1 ZINC000116878210 330361140 /nfs/dbraw/zinc/36/11/40/330361140.db2.gz HOFDBSLTRVAJNA-MRXNPFEDSA-N 1 0 297.446 3.886 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1cnn(C)c1 ZINC000090964350 330397282 /nfs/dbraw/zinc/39/72/82/330397282.db2.gz FFMCLYBBXXSCLA-DLBZAZTESA-N 1 0 287.382 3.678 10 0 CHAERO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1COc2ccccc21 ZINC000163432563 331039040 /nfs/dbraw/zinc/03/90/40/331039040.db2.gz RRIFAOOAGSTDSR-CMPLNLGQSA-N 1 0 273.298 3.831 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@H](C2CC2)C2CCCC2)C[C@@H](C)O1 ZINC000453204346 331101057 /nfs/dbraw/zinc/10/10/57/331101057.db2.gz BJLWUASZJIUHOP-XNJGSVPQSA-N 1 0 265.441 3.748 10 0 CHAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000453205994 331101373 /nfs/dbraw/zinc/10/13/73/331101373.db2.gz DQLQCZIPTGUZBX-XCCSTKFXSA-N 1 0 267.438 3.911 10 0 CHAERO CCC[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CCC1 ZINC000453230366 331104310 /nfs/dbraw/zinc/10/43/10/331104310.db2.gz XDGVLBFFUHCRRQ-IOASZLSFSA-N 1 0 253.430 3.748 10 0 CHAERO CCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000453230363 331104357 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Cc1cccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1C ZINC000466426249 331396598 /nfs/dbraw/zinc/39/65/98/331396598.db2.gz SKUUODZGHNOORC-ZIAGYGMSSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000466425363 331396645 /nfs/dbraw/zinc/39/66/45/331396645.db2.gz JZRSOUJYRMIMMI-QWRGUYRKSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1C[C@H]1C ZINC000309556303 333045499 /nfs/dbraw/zinc/04/54/99/333045499.db2.gz JUQYWMFKCAYMGN-KKFJDGPESA-N 1 0 286.188 3.517 10 0 CHAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCc2ccccc21 ZINC000309724470 333048096 /nfs/dbraw/zinc/04/80/96/333048096.db2.gz NBSJFXNUMOBMGB-JXFKEZNVSA-N 1 0 294.442 3.784 10 0 CHAERO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309812857 333049955 /nfs/dbraw/zinc/04/99/55/333049955.db2.gz XBDQHBHLTUUSJG-WZGPROSRSA-N 1 0 286.463 3.533 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000311332375 333067346 /nfs/dbraw/zinc/06/73/46/333067346.db2.gz 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PZDZDBIUQFQSHV-QWHCGFSZSA-N 1 0 273.380 3.740 10 0 CHAERO Fc1cc(F)c(C[NH2+][C@H]2CCc3ccccc32)cc1F ZINC000135834982 334139455 /nfs/dbraw/zinc/13/94/55/334139455.db2.gz NZILDKYAOVKAFX-INIZCTEOSA-N 1 0 277.289 3.881 10 0 CHAERO CSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000245463638 334195381 /nfs/dbraw/zinc/19/53/81/334195381.db2.gz OWRYDOSBRYGNFE-DUVNUKRYSA-N 1 0 279.449 3.610 10 0 CHAERO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245946155 334225100 /nfs/dbraw/zinc/22/51/00/334225100.db2.gz WSGXRPJCVHNCDK-DOMZBBRYSA-N 1 0 298.352 3.546 10 0 CHAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)[C@H]1CCCO1 ZINC000247114253 334275950 /nfs/dbraw/zinc/27/59/50/334275950.db2.gz QTJYFMKSJSWYAR-OSRSDYAFSA-N 1 0 259.393 3.782 10 0 CHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000246837260 334270424 /nfs/dbraw/zinc/27/04/24/334270424.db2.gz ASQQQNZGEXFRAF-JFGNBEQYSA-N 1 0 255.308 3.655 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)CCc1ccccc1 ZINC000246848115 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CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000251751942 334368729 /nfs/dbraw/zinc/36/87/29/334368729.db2.gz LKCROBBMJQANQV-YCPHGPKFSA-N 1 0 286.419 3.653 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000252172155 334375745 /nfs/dbraw/zinc/37/57/45/334375745.db2.gz RIUVVRAUIRHVDB-LYYZXLFJSA-N 1 0 253.430 3.604 10 0 CHAERO COCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000268771918 334715710 /nfs/dbraw/zinc/71/57/10/334715710.db2.gz FGZUDYVJCORJFG-GHMZBOCLSA-N 1 0 291.313 3.637 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cncc(Br)c1 ZINC000581082097 336006317 /nfs/dbraw/zinc/00/63/17/336006317.db2.gz HLLCQVAJWXEYQG-BREBYQMCSA-N 1 0 283.213 3.683 10 0 CHAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1Cl ZINC000194642064 336035082 /nfs/dbraw/zinc/03/50/82/336035082.db2.gz KLJFDCJFTPPJPW-OAHLLOKOSA-N 1 0 289.810 3.510 10 0 CHAERO C[C@H](CCCC[NH3+])Nc1ccnc2cc(Cl)ccc21 ZINC000382007145 336079748 /nfs/dbraw/zinc/07/97/48/336079748.db2.gz MJZKNGZCEFXXPL-LLVKDONJSA-N 1 0 277.799 3.818 10 0 CHAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC000385264492 336143252 /nfs/dbraw/zinc/14/32/52/336143252.db2.gz YYZTWSDTRLDPPC-RCCFBDPRSA-N 1 0 277.452 3.892 10 0 CHAERO CC(C)[NH2+]CCCCO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629127 519720698 /nfs/dbraw/zinc/72/06/98/519720698.db2.gz NKODOIKQCRJVNM-CABCVRRESA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)[NH2+]Cc1cnc(N(C)[C@@H](C)C(C)(C)C)s1 ZINC000054906417 519728724 /nfs/dbraw/zinc/72/87/24/519728724.db2.gz RDITXQYSBLFTTG-NSHDSACASA-N 1 0 269.458 3.512 10 0 CHAERO CC(C)CO[C@H](C[NH2+]C(C)(C)C)c1cccc(F)c1 ZINC000050492193 519761247 /nfs/dbraw/zinc/76/12/47/519761247.db2.gz WPYDBQUKMMCQOC-OAHLLOKOSA-N 1 0 267.388 3.928 10 0 CHAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)Oc1ccc(F)cc1 ZINC000052667591 519794841 /nfs/dbraw/zinc/79/48/41/519794841.db2.gz QUFUWDSVXVUKLS-CQSZACIVSA-N 1 0 253.361 3.617 10 0 CHAERO CC(C)[C@H](C[NH2+]C1CC1)N(C)Cc1ccc(Cl)cc1 ZINC000052346272 519815915 /nfs/dbraw/zinc/81/59/15/519815915.db2.gz ZCJMUJAIOQVGMG-INIZCTEOSA-N 1 0 280.843 3.548 10 0 CHAERO CC[NH2+]CCC[C@H](C)OCc1ccccc1Cl ZINC000052623106 519919717 /nfs/dbraw/zinc/91/97/17/519919717.db2.gz WXPOYPUOPFMUGN-LBPRGKRZSA-N 1 0 255.789 3.635 10 0 CHAERO CCC[NH2+]Cc1cnc(N(CCC)CCC)c(Cl)c1 ZINC000051400330 519963210 /nfs/dbraw/zinc/96/32/10/519963210.db2.gz DXTLKYGSAMKTST-UHFFFAOYSA-N 1 0 283.847 3.861 10 0 CHAERO CC[NH2+]Cc1sc(N(CC)C(C)C)nc1C(C)(C)C ZINC000054996494 520032479 /nfs/dbraw/zinc/03/24/79/520032479.db2.gz FRFKCBXDTUFPAS-UHFFFAOYSA-N 1 0 283.485 3.785 10 0 CHAERO CCCCCCOCc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052631152 520100483 /nfs/dbraw/zinc/10/04/83/520100483.db2.gz WJULXKXZDCRFPZ-UHFFFAOYSA-N 1 0 268.401 3.660 10 0 CHAERO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC000050961919 520207121 /nfs/dbraw/zinc/20/71/21/520207121.db2.gz WYQLKIZQVIFHRG-UONOGXRCSA-N 1 0 253.773 3.560 10 0 CHAERO CC[NH2+][C@H]1CCCCc2c(Cl)cc(OC)c(OC)c21 ZINC000054741985 520213535 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/nfs/dbraw/zinc/18/48/68/518184868.db2.gz SAAQIOJXHGYYLL-WRWORJQWSA-N 1 0 255.333 3.642 10 0 CHAERO CC(C)(C)CC(C)(C)[NH2+]CC1(O)CCCCCC1 ZINC000050878102 518630456 /nfs/dbraw/zinc/63/04/56/518630456.db2.gz KGLXKBSVPYLXAE-UHFFFAOYSA-N 1 0 255.446 3.876 10 0 CHAERO CC(C)(C)[NH2+]CCCc1ccccc1Br ZINC000052949478 518755542 /nfs/dbraw/zinc/75/55/42/518755542.db2.gz WZRQLBGRSYDPKJ-UHFFFAOYSA-N 1 0 270.214 3.770 10 0 CHAERO CC(C)(C)[NH2+]C[C@@H]1C[C@]1(C)c1c(F)cccc1F ZINC000054597083 518760554 /nfs/dbraw/zinc/76/05/54/518760554.db2.gz JPHQEJSFMPZMJY-BONVTDFDSA-N 1 0 253.336 3.631 10 0 CHAERO CC(C)C[C@@H]1C[N@H+](CC(C)C)[C@H](c2ccccc2)CN1 ZINC000062668295 519270898 /nfs/dbraw/zinc/27/08/98/519270898.db2.gz AXDYBHDXOIMTMK-MSOLQXFVSA-N 1 0 274.452 3.704 10 0 CHAERO CC(C)C[C@H]1C[N@H+](C2CCCC2)[C@@H](CC(C)C)CN1 ZINC000062663225 519415146 /nfs/dbraw/zinc/41/51/46/519415146.db2.gz GMIIJBCTMAAOQO-RDJZCZTQSA-N 1 0 266.473 3.664 10 0 CHAERO CC(C)C[C@H]1C[NH2+]C(C)(C)CN1Cc1ccc(Cl)cc1 ZINC000062708897 519415901 /nfs/dbraw/zinc/41/59/01/519415901.db2.gz DGZOAXLXTJYPSX-INIZCTEOSA-N 1 0 294.870 3.939 10 0 CHAERO CC(C)CCC[C@@H](C)[NH2+]CCCOCC(F)(F)F ZINC000049312453 519645364 /nfs/dbraw/zinc/64/53/64/519645364.db2.gz OXELXTXPOHHUSY-GFCCVEGCSA-N 1 0 269.351 3.760 10 0 CHAERO CC(C)CC[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000053566351 519663148 /nfs/dbraw/zinc/66/31/48/519663148.db2.gz YMJYHDTWJUJAHM-LBPRGKRZSA-N 1 0 255.789 3.743 10 0 CHAERO CC(C)[NH2+]CC1(OCC(F)(F)F)CCC(C)CC1 ZINC000050502398 519720304 /nfs/dbraw/zinc/72/03/04/519720304.db2.gz CQQVFPJFSDWGRD-UHFFFAOYSA-N 1 0 267.335 3.512 10 0 CHAERO CC(C)[NH2+]Cc1ccc(O[C@H]2CCCC[C@H]2C)nc1 ZINC000051525095 519727250 /nfs/dbraw/zinc/72/72/50/519727250.db2.gz FLHSTSDNNFIQQQ-HIFRSBDPSA-N 1 0 262.397 3.537 10 0 CHAERO CC(C)CN1C[C@H](c2ccccc2)[NH2+]Cc2ccccc21 ZINC000062671269 519732641 /nfs/dbraw/zinc/73/26/41/519732641.db2.gz CFIKNFXYTGWRIQ-GOSISDBHSA-N 1 0 280.415 3.994 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000054597995 519745172 /nfs/dbraw/zinc/74/51/72/519745172.db2.gz DLFJDOYPFGYGGR-ZFWWWQNUSA-N 1 0 296.252 3.972 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000054597998 519746754 /nfs/dbraw/zinc/74/67/54/519746754.db2.gz DLFJDOYPFGYGGR-UKRRQHHQSA-N 1 0 296.252 3.972 10 0 CHAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000120774225 519763588 /nfs/dbraw/zinc/76/35/88/519763588.db2.gz WVSMARXRYOSMQV-CABCVRRESA-N 1 0 299.418 3.923 10 0 CHAERO CC(C)[C@@H]([NH2+]CCc1ccncc1)c1cccs1 ZINC000050878112 519798925 /nfs/dbraw/zinc/79/89/25/519798925.db2.gz JNXZHHYNOFOERX-OAHLLOKOSA-N 1 0 260.406 3.673 10 0 CHAERO CC(C)[C@H](C)[N@H+](C)C1(CN)CCC(C(C)C)CC1 ZINC000054557047 519811781 /nfs/dbraw/zinc/81/17/81/519811781.db2.gz VVOJTSPZWJGFPY-FHERZECASA-N 1 0 254.462 3.506 10 0 CHAERO CC(C)[C@H](C[NH2+]C(C)(C)C)n1cnc2ccccc21 ZINC000052576521 519815793 /nfs/dbraw/zinc/81/57/93/519815793.db2.gz DWLQVCDIOWGCEK-HNNXBMFYSA-N 1 0 259.397 3.622 10 0 CHAERO CC(C)[C@H](NC1=[NH+]C(C)(C)CS1)c1cccs1 ZINC000049559185 519820667 /nfs/dbraw/zinc/82/06/67/519820667.db2.gz MQOUTVGZEIOKKX-NSHDSACASA-N 1 0 268.451 3.916 10 0 CHAERO CC(C)[C@H]([NH2+]CC1(O)CCCCC1)c1cccs1 ZINC000049556126 519820624 /nfs/dbraw/zinc/82/06/24/519820624.db2.gz CUCTXLADDYRXNQ-AWEZNQCLSA-N 1 0 267.438 3.730 10 0 CHAERO CCC1CC[NH+](C[C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054561575 519859124 /nfs/dbraw/zinc/85/91/24/519859124.db2.gz CBBCUOFWYXIMQJ-IKGGRYGDSA-N 1 0 267.457 3.542 10 0 CHAERO CCCC1CCC(NC2=[NH+][C@H](CC)CS2)CC1 ZINC000049546570 519898337 /nfs/dbraw/zinc/89/83/37/519898337.db2.gz WYVUZRQUKYCFOW-OTTFEQOBSA-N 1 0 254.443 3.816 10 0 CHAERO CCC[NH2+]C1CCN([C@H](CC)c2cccs2)CC1 ZINC000049530933 519906931 /nfs/dbraw/zinc/90/69/31/519906931.db2.gz ZHXBCIMKHNGCLU-CQSZACIVSA-N 1 0 266.454 3.663 10 0 CHAERO CC[NH2+]CC1(CCc2scnc2C)CCCCC1 ZINC000054654877 519911521 /nfs/dbraw/zinc/91/15/21/519911521.db2.gz PDMVUNDRNQAIFO-UHFFFAOYSA-N 1 0 266.454 3.944 10 0 CHAERO CCCCC1CCC(C[NH2+]CCN(CC)CC)CC1 ZINC000062435088 519919156 /nfs/dbraw/zinc/91/91/56/519919156.db2.gz NVTVHQDDJOTKCD-UHFFFAOYSA-N 1 0 268.489 3.914 10 0 CHAERO CC[NH2+]C[C@@H](O[C@H](C)CC(C)C)c1ccccc1F ZINC000050489026 519949015 /nfs/dbraw/zinc/94/90/15/519949015.db2.gz DADCRWNXMHWUJZ-CZUORRHYSA-N 1 0 267.388 3.928 10 0 CHAERO CCC[NH2+]Cc1cccc(OC)c1OC[C@H](C)CC ZINC000050423862 519953863 /nfs/dbraw/zinc/95/38/63/519953863.db2.gz FMTSPXQFFPLEDM-CYBMUJFWSA-N 1 0 265.397 3.620 10 0 CHAERO CCC[NH2+][C@@H](C)c1c(C)nn(C[C@H](C)CCC)c1C ZINC000054718427 519986187 /nfs/dbraw/zinc/98/61/87/519986187.db2.gz DQROHIKKSXLLAX-OLZOCXBDSA-N 1 0 265.445 3.997 10 0 CHAERO CCC[NH2+][C@@H](CC)c1c(C)nn(CCC(C)C)c1C ZINC000054718980 519992276 /nfs/dbraw/zinc/99/22/76/519992276.db2.gz JFZLNPWLCBNDIC-HNNXBMFYSA-N 1 0 265.445 3.997 10 0 CHAERO CC[NH2+]Cc1ccc(COc2cccc(C)c2)cc1 ZINC000052666952 519998401 /nfs/dbraw/zinc/99/84/01/519998401.db2.gz OODDOOHFCRWVBW-UHFFFAOYSA-N 1 0 255.361 3.684 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000062233562 520015388 /nfs/dbraw/zinc/01/53/88/520015388.db2.gz LTNBVJWLVWAATB-HIFRSBDPSA-N 1 0 267.800 3.807 10 0 CHAERO CCC[NH2+][C@@H](Cc1csc(C)n1)C1CCCCC1 ZINC000055296020 520015532 /nfs/dbraw/zinc/01/55/32/520015532.db2.gz IKQLRHNNKLSMAN-HNNXBMFYSA-N 1 0 266.454 3.943 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1C ZINC000052330248 520029856 /nfs/dbraw/zinc/02/98/56/520029856.db2.gz XRTBZCNBQMCRQR-UHFFFAOYSA-N 1 0 266.797 3.881 10 0 CHAERO CCCCCC[N@@H+]1CC(C)(C)NC[C@@H]1c1ccccc1 ZINC000062668226 520078003 /nfs/dbraw/zinc/07/80/03/520078003.db2.gz UZAMMEPHESQTNX-QGZVFWFLSA-N 1 0 274.452 3.992 10 0 CHAERO CCCCCC[N@@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000062657665 520079924 /nfs/dbraw/zinc/07/99/24/520079924.db2.gz CCAIXVCFJCARKV-QGZVFWFLSA-N 1 0 260.425 3.603 10 0 CHAERO CCC[NH2+][C@H]1CCCC[C@@H]1CCOCC(F)(F)F ZINC000049311577 520092113 /nfs/dbraw/zinc/09/21/13/520092113.db2.gz OGBZUOGXNGOADJ-NEPJUHHUSA-N 1 0 267.335 3.514 10 0 CHAERO CCC[NH2+][C@H]1CCCc2nc(N(C)CC(C)C)sc21 ZINC000054902617 520093615 /nfs/dbraw/zinc/09/36/15/520093615.db2.gz HZFVHYYTSPKIOC-LBPRGKRZSA-N 1 0 281.469 3.612 10 0 CHAERO CC[NH2+][C@@H](C[C@@H]1CCCO1)c1cc2ccccc2o1 ZINC000062797921 520103510 /nfs/dbraw/zinc/10/35/10/520103510.db2.gz NFIGPBUZEXLDHZ-KBPBESRZSA-N 1 0 259.349 3.653 10 0 CHAERO CC[NH2+][C@@H](Cc1cc(C)ccc1C)c1ccncc1 ZINC000049258203 520104246 /nfs/dbraw/zinc/10/42/46/520104246.db2.gz YTVFWVYYYFQFMN-KRWDZBQOSA-N 1 0 254.377 3.592 10 0 CHAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1cc2ccccc2o1 ZINC000062797923 520104598 /nfs/dbraw/zinc/10/45/98/520104598.db2.gz NFIGPBUZEXLDHZ-KGLIPLIRSA-N 1 0 259.349 3.653 10 0 CHAERO CC[NH2+][C@@H](Cc1cccs1)c1cc(C)ccc1OC ZINC000052943726 520106327 /nfs/dbraw/zinc/10/63/27/520106327.db2.gz KSFYZBZTUYZYKY-HNNXBMFYSA-N 1 0 275.417 3.958 10 0 CHAERO CC[NH2+][C@@H](Cc1cccs1)c1ccc2c(c1)CCO2 ZINC000050892334 520106515 /nfs/dbraw/zinc/10/65/15/520106515.db2.gz OHLUIVUGFORBCJ-HNNXBMFYSA-N 1 0 273.401 3.576 10 0 CHAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@@H]1CCCCO1 ZINC000050962088 520108492 /nfs/dbraw/zinc/10/84/92/520108492.db2.gz HGGBYAMFARPWFE-DOTOQJQBSA-N 1 0 261.409 3.832 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(-c2cccc(F)c2F)o1 ZINC000052924556 520176031 /nfs/dbraw/zinc/17/60/31/520176031.db2.gz BILYKTFSZYMUEM-SECBINFHSA-N 1 0 251.276 3.895 10 0 CHAERO CC[NH2+][C@H](C)c1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000050618772 520181652 /nfs/dbraw/zinc/18/16/52/520181652.db2.gz QBYSEEHJAIQNFY-SSDOTTSWSA-N 1 0 286.162 3.714 10 0 CHAERO CC[NH2+][C@H]1CCCC[C@@H]1c1cccc2cnccc21 ZINC000061124699 520214494 /nfs/dbraw/zinc/21/44/94/520214494.db2.gz ARHGIDVNNBUIIK-SJORKVTESA-N 1 0 254.377 3.871 10 0 CHAERO CCCO[C@H](C[NH2+]C(C)(C)C)c1cccc(OC)c1 ZINC000050482949 520277577 /nfs/dbraw/zinc/27/75/77/520277577.db2.gz QZGRWTATPYOIPP-OAHLLOKOSA-N 1 0 265.397 3.551 10 0 CHAERO CCCOc1ccc([C@@H]([NH3+])c2cccc(F)c2)cc1 ZINC000055263393 520416458 /nfs/dbraw/zinc/41/64/58/520416458.db2.gz FWGPQQHUTMPIQY-MRXNPFEDSA-N 1 0 259.324 3.663 10 0 CHAERO CCCCN(C)c1nc2c(s1)[C@@H]([NH2+]CCC)CCC2 ZINC000054901504 520435207 /nfs/dbraw/zinc/43/52/07/520435207.db2.gz JCERDWHMTORAAJ-LBPRGKRZSA-N 1 0 281.469 3.756 10 0 CHAERO CCC[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049543929 520788700 /nfs/dbraw/zinc/78/87/00/520788700.db2.gz BSZUFVPNAVMGQY-MCIONIFRSA-N 1 0 267.438 3.873 10 0 CHAERO CCC[C@H]([NH2+]CC1(O)CCCCC1)c1cccs1 ZINC000049544244 521157668 /nfs/dbraw/zinc/15/76/68/521157668.db2.gz KTBWNSWRBKJNLZ-ZDUSSCGKSA-N 1 0 267.438 3.874 10 0 CHAERO CCC[C@H]([NH2+]CCc1ccncc1)c1cccs1 ZINC000049544412 521158978 /nfs/dbraw/zinc/15/89/78/521158978.db2.gz WGNNSOZVUKHPGX-AWEZNQCLSA-N 1 0 260.406 3.817 10 0 CHAERO CCCC[C@](CC)(C[NH2+]CCOC)Cc1cscn1 ZINC000054658326 521256294 /nfs/dbraw/zinc/25/62/94/521256294.db2.gz YLOZJNJWTBCXLG-HNNXBMFYSA-N 1 0 284.469 3.508 10 0 CHAERO CCC(C)(C)[NH2+]C[C@@H](C)Oc1cccc(Cl)c1 ZINC000053566896 521352617 /nfs/dbraw/zinc/35/26/17/521352617.db2.gz KWUZXWQDZXUNTC-LLVKDONJSA-N 1 0 255.789 3.886 10 0 CHAERO CCC(CC)(C[NH2+]CC(C)C)CC1CCOCC1 ZINC000054658918 521439491 /nfs/dbraw/zinc/43/94/91/521439491.db2.gz HQEGGJCTWRFVOR-UHFFFAOYSA-N 1 0 255.446 3.855 10 0 CHAERO CCCc1ccc([C@H](C[C@@H]2CCCO2)[NH2+]CC)cc1 ZINC000055242019 521418053 /nfs/dbraw/zinc/41/80/53/521418053.db2.gz MDCGNJDEEKPMHT-IRXDYDNUSA-N 1 0 261.409 3.859 10 0 CHAERO CCC[N@H+](C(C)C)[C@H](CC(N)=S)c1ccccc1 ZINC000055024614 521453058 /nfs/dbraw/zinc/45/30/58/521453058.db2.gz IPADGLBHWQUINN-CQSZACIVSA-N 1 0 264.438 3.524 10 0 CHAERO CCOc1ccccc1[C@@H]([NH3+])CCc1ccccc1 ZINC000055240731 521579498 /nfs/dbraw/zinc/57/94/98/521579498.db2.gz DNVHYAOLFKLDRU-INIZCTEOSA-N 1 0 255.361 3.718 10 0 CHAERO CCOc1ccccc1[C@H]([NH2+]C)c1ccccc1C ZINC000055240601 521588840 /nfs/dbraw/zinc/58/88/40/521588840.db2.gz HVFHNTLGSULWHP-QGZVFWFLSA-N 1 0 255.361 3.703 10 0 CHAERO CCCn1cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000116913151 521652684 /nfs/dbraw/zinc/65/26/84/521652684.db2.gz MNZCASYYIZGEAK-OLZOCXBDSA-N 1 0 289.345 3.504 10 0 CHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000236909500 521836821 /nfs/dbraw/zinc/83/68/21/521836821.db2.gz DNNRDNVPFNHEMG-SUMWQHHRSA-N 1 0 297.402 3.742 10 0 CHAERO C[NH2+]CC1(OCC(C)C)CCC(C(C)(C)C)CC1 ZINC000050492424 521971031 /nfs/dbraw/zinc/97/10/31/521971031.db2.gz WYKSEAWFAGPYLN-UHFFFAOYSA-N 1 0 255.446 3.854 10 0 CHAERO C[NH2+]C[C@H](Cc1ccco1)Cc1ccccc1Cl ZINC000062102975 522073839 /nfs/dbraw/zinc/07/38/39/522073839.db2.gz AFSVLHKCDMTUSF-LBPRGKRZSA-N 1 0 263.768 3.554 10 0 CHAERO C[NH2+]C[C@H](OCCC(C)C)c1ccccc1Cl ZINC000050493177 522076551 /nfs/dbraw/zinc/07/65/51/522076551.db2.gz BTWUVDSLJWFBLI-AWEZNQCLSA-N 1 0 255.789 3.663 10 0 CHAERO C[NH2+]Cc1cc(F)ccc1Oc1cccc(F)c1F ZINC000062616386 522114861 /nfs/dbraw/zinc/11/48/61/522114861.db2.gz XXCTXMQKWFDCRS-UHFFFAOYSA-N 1 0 267.250 3.616 10 0 CHAERO C[NH2+]Cc1ccc(COc2ccc(C)cc2C)cc1 ZINC000052653142 522116589 /nfs/dbraw/zinc/11/65/89/522116589.db2.gz DSRIRBLYLIZQSS-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO C[NH2+]Cc1cccc(COc2ccc(Cl)cc2)c1 ZINC000052664991 522127478 /nfs/dbraw/zinc/12/74/78/522127478.db2.gz UKDXJUSWLPRBNW-UHFFFAOYSA-N 1 0 261.752 3.638 10 0 CHAERO CC[C@H](C[NH2+]C(C)(C)C)Cc1cc(C)ccc1OC ZINC000052974104 522190120 /nfs/dbraw/zinc/19/01/20/522190120.db2.gz UYWZKFVFWAJWJX-AWEZNQCLSA-N 1 0 263.425 3.960 10 0 CHAERO CC[C@@H](C)OCc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052668803 522253395 /nfs/dbraw/zinc/25/33/95/522253395.db2.gz UPFBKQXUIMWJDT-LLVKDONJSA-N 1 0 253.386 3.791 10 0 CHAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)n1nc(C)c(Cl)c1C ZINC000050586256 522342282 /nfs/dbraw/zinc/34/22/82/522342282.db2.gz XUERPDASLZGCSI-AAEUAGOBSA-N 1 0 297.855 3.850 10 0 CHAERO C[NH2+][C@@H](Cc1nc(C)cs1)c1cc(C)cc(C)c1 ZINC000055268096 522365587 /nfs/dbraw/zinc/36/55/87/522365587.db2.gz CLQCIMWQPHDATH-AWEZNQCLSA-N 1 0 260.406 3.572 10 0 CHAERO C[NH2+][C@@H](c1csc2ccccc12)c1nccs1 ZINC000054465586 522375819 /nfs/dbraw/zinc/37/58/19/522375819.db2.gz OYKFSTZIBMOITP-LBPRGKRZSA-N 1 0 260.387 3.667 10 0 CHAERO C[NH2+][C@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000055223848 522473403 /nfs/dbraw/zinc/47/34/03/522473403.db2.gz ZOGQAONSSURZDM-CQSZACIVSA-N 1 0 281.186 3.892 10 0 CHAERO C[NH2+][C@H](Cc1ccc(C(C)C)cc1)C[C@@H]1CCCO1 ZINC000053824006 522473474 /nfs/dbraw/zinc/47/34/74/522473474.db2.gz PWIABDCAKZUGBY-SJORKVTESA-N 1 0 261.409 3.510 10 0 CHAERO C[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1n1ccnc1C(C)C ZINC000054555943 522506055 /nfs/dbraw/zinc/50/60/55/522506055.db2.gz QABPBWQLSWTQDP-ILXRZTDVSA-N 1 0 263.429 3.592 10 0 CHAERO CC[C@@H]([NH3+])[C@H](c1cccs1)n1nc(C)c(Cl)c1C ZINC000050586324 522654227 /nfs/dbraw/zinc/65/42/27/522654227.db2.gz QQXKNRBGAOMYIC-ZWNOBZJWSA-N 1 0 283.828 3.542 10 0 CHAERO COc1ccc(-c2nc(C)c(C[NH2+]CC(C)C)s2)cc1 ZINC000052331272 523194375 /nfs/dbraw/zinc/19/43/75/523194375.db2.gz CIDSWLRHOPEVGU-UHFFFAOYSA-N 1 0 290.432 3.873 10 0 CHAERO CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054558805 523265376 /nfs/dbraw/zinc/26/53/76/523265376.db2.gz NTIJKTSWDBLFQN-QLFBSQMISA-N 1 0 251.414 3.502 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccc(C)c(C)c1 ZINC000068695214 523486722 /nfs/dbraw/zinc/48/67/22/523486722.db2.gz AQCQJADTAWDONU-MSOLQXFVSA-N 1 0 274.452 3.512 10 0 CHAERO CC[C@@H]1CSC(N[C@H](C)c2cccc(Cl)c2)=[NH+]1 ZINC000049526522 523520235 /nfs/dbraw/zinc/52/02/35/523520235.db2.gz PSLLVMBIQXDRFJ-BXKDBHETSA-N 1 0 268.813 3.872 10 0 CHAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000125923225 523607490 /nfs/dbraw/zinc/60/74/90/523607490.db2.gz CDQFCYMJVCMNSP-HOTGVXAUSA-N 1 0 298.434 3.547 10 0 CHAERO CC[C@@](C)(CCCc1ccccc1)C[NH2+]CCOC ZINC000054662080 523629948 /nfs/dbraw/zinc/62/99/48/523629948.db2.gz IOIXOLKGJFAJLN-KRWDZBQOSA-N 1 0 263.425 3.662 10 0 CHAERO COc1ccc(C)cc1[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000052944560 523854670 /nfs/dbraw/zinc/85/46/70/523854670.db2.gz LWGVTBXMRHWMNW-HNNXBMFYSA-N 1 0 275.779 3.900 10 0 CHAERO CCc1ccc(C[NH2+][C@H](C)Cc2ccccc2)cc1 ZINC000062182984 523945762 /nfs/dbraw/zinc/94/57/62/523945762.db2.gz AALWADHEVOEMHQ-OAHLLOKOSA-N 1 0 253.389 3.970 10 0 CHAERO CCc1ccc([C@@]2(C)C[C@H]2C[NH2+]C(C)(C)C)s1 ZINC000054597322 524041264 /nfs/dbraw/zinc/04/12/64/524041264.db2.gz WSGNAJBLPKVVQZ-NHYWBVRUSA-N 1 0 251.439 3.976 10 0 CHAERO CCc1ccc([C@@](C)([NH3+])c2ccc(F)c(F)c2)cc1 ZINC000055237129 524041326 /nfs/dbraw/zinc/04/13/26/524041326.db2.gz FKHBVIZGDNJWCU-MRXNPFEDSA-N 1 0 261.315 3.749 10 0 CHAERO COc1cccc([C@@H](C[NH2+]C(C)(C)C)OC(C)C)c1 ZINC000050483692 524098280 /nfs/dbraw/zinc/09/82/80/524098280.db2.gz SIOPBORLWVBDDI-OAHLLOKOSA-N 1 0 265.397 3.549 10 0 CHAERO COc1ccc(C[C@@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC000049597127 524140564 /nfs/dbraw/zinc/14/05/64/524140564.db2.gz WMFOXBIGYWESTH-AAEUAGOBSA-N 1 0 298.224 3.518 10 0 CHAERO COc1ccc(C[C@H]([NH3+])C2CCCC2)cc1Br ZINC000049599794 524156305 /nfs/dbraw/zinc/15/63/05/524156305.db2.gz PVHJAMYUKPXSCA-ZDUSSCGKSA-N 1 0 298.224 3.518 10 0 CHAERO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000070137533 524181889 /nfs/dbraw/zinc/18/18/89/524181889.db2.gz MKQXISHPDVVPFD-GRDNDAEWSA-N 1 0 257.421 3.958 10 0 CHAERO Cc1ccc(C)c([C@](C)([NH3+])c2cc(F)ccc2C)c1 ZINC000055198743 524212205 /nfs/dbraw/zinc/21/22/05/524212205.db2.gz ZATURKPPYHWNMB-KRWDZBQOSA-N 1 0 257.352 3.973 10 0 CHAERO COc1ccc(Cl)cc1C[C@@H]([NH3+])c1cccc(C)c1 ZINC000053818506 524212938 /nfs/dbraw/zinc/21/29/38/524212938.db2.gz XGOSDHFSSDDBKQ-OAHLLOKOSA-N 1 0 275.779 3.900 10 0 CHAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)s2)[C@@H]1C ZINC000050563400 524244355 /nfs/dbraw/zinc/24/43/55/524244355.db2.gz ONVRSLMNONUNPG-MXWKQRLJSA-N 1 0 272.845 3.522 10 0 CHAERO C[C@@H]1CCC[C@@H]([N@@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000062673053 524301857 /nfs/dbraw/zinc/30/18/57/524301857.db2.gz SIXKTXZDCOUARB-KBAYOESNSA-N 1 0 286.463 3.990 10 0 CHAERO C[C@@H]1CCC[C@H](N(C)c2cc(Cl)ccc2C[NH3+])C1 ZINC000062786919 524390393 /nfs/dbraw/zinc/39/03/93/524390393.db2.gz FDDILKLMXSRMBB-RISCZKNCSA-N 1 0 266.816 3.814 10 0 CHAERO Cc1cccc(CS[C@@H](c2ccncc2)[C@@H](C)[NH3+])c1 ZINC000054965671 524461045 /nfs/dbraw/zinc/46/10/45/524461045.db2.gz QUNYSDBETYROIL-CZUORRHYSA-N 1 0 272.417 3.712 10 0 CHAERO Cc1ccc(C[C@H]([NH3+])C2(c3ccccc3)CC2)cc1 ZINC000061618177 524685081 /nfs/dbraw/zinc/68/50/81/524685081.db2.gz ALISVQHOTYPJKR-KRWDZBQOSA-N 1 0 251.373 3.597 10 0 CHAERO COc1ccccc1Sc1cccc(Cl)c1C(N)=[NH2+] ZINC000052908136 524710814 /nfs/dbraw/zinc/71/08/14/524710814.db2.gz LBLJCLHZUFDJLL-UHFFFAOYSA-N 1 0 292.791 3.784 10 0 CHAERO C[C@@H]([NH3+])c1ccc(OCc2ccc(F)cc2F)cc1 ZINC000050871938 525028140 /nfs/dbraw/zinc/02/81/40/525028140.db2.gz KOWWQKABPRSEOG-SNVBAGLBSA-N 1 0 263.287 3.564 10 0 CHAERO COc1ccc(SCC[NH2+]Cc2ccccc2)cc1 ZINC000053607306 525104849 /nfs/dbraw/zinc/10/48/49/525104849.db2.gz HWOIFGIQOLWPBW-UHFFFAOYSA-N 1 0 273.401 3.577 10 0 CHAERO COc1ccc(S[C@@H](CC[NH3+])c2ccccc2)cc1 ZINC000055019485 525109033 /nfs/dbraw/zinc/10/90/33/525109033.db2.gz PTDWQLJIMAOGKX-INIZCTEOSA-N 1 0 273.401 3.877 10 0 CHAERO C[C@]([NH3+])(Cc1c(F)cccc1Cl)c1ccccc1 ZINC000049346469 525148977 /nfs/dbraw/zinc/14/89/77/525148977.db2.gz MDYIDSFZJHBIGF-HNNXBMFYSA-N 1 0 263.743 3.896 10 0 CHAERO Cc1ccccc1CSCc1ccccc1C(N)=[NH2+] ZINC000054964136 525184090 /nfs/dbraw/zinc/18/40/90/525184090.db2.gz WYSNDOXOSVAYIW-UHFFFAOYSA-N 1 0 270.401 3.712 10 0 CHAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCNc1ccc(Cl)cc1 ZINC000053387177 525200403 /nfs/dbraw/zinc/20/04/03/525200403.db2.gz CFONNJZWTPJROP-QWHCGFSZSA-N 1 0 266.816 3.872 10 0 CHAERO Cc1ccccc1N[C@@H](C[NH3+])c1ccccc1Cl ZINC000057547753 525274139 /nfs/dbraw/zinc/27/41/39/525274139.db2.gz DINWMPUETKDUOC-HNNXBMFYSA-N 1 0 260.768 3.760 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cc1 ZINC000120422130 525330799 /nfs/dbraw/zinc/33/07/99/525330799.db2.gz OCSLBUJUMZWSSH-KXBFYZLASA-N 1 0 298.430 3.649 10 0 CHAERO Cc1ccccc1[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000129901021 525348506 /nfs/dbraw/zinc/34/85/06/525348506.db2.gz RGFRXVXHDILQNV-MRXNPFEDSA-N 1 0 283.419 3.665 10 0 CHAERO C[C@@H](NC1=[NH+]C(C)(C)CS1)c1cccc(Cl)c1 ZINC000049526525 525394388 /nfs/dbraw/zinc/39/43/88/525394388.db2.gz PAYKCRDLTLYWQY-SECBINFHSA-N 1 0 268.813 3.872 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000280970513 525397310 /nfs/dbraw/zinc/39/73/10/525397310.db2.gz HSOYJROYRNEQHJ-RNJOBUHISA-N 1 0 283.362 3.819 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC(C)(C)C1 ZINC000151359207 525446487 /nfs/dbraw/zinc/44/64/87/525446487.db2.gz YYOBEIBXQJEZNN-PNBKFKSVSA-N 1 0 297.508 3.846 10 0 CHAERO Cc1cc([C@@H]([NH3+])Cc2ccc(F)cc2F)ccc1F ZINC000050886146 525481244 /nfs/dbraw/zinc/48/12/44/525481244.db2.gz IEWJQEGPFFOEMW-HNNXBMFYSA-N 1 0 265.278 3.655 10 0 CHAERO Cc1cc([C@@H]([NH3+])c2ccc(Br)cc2)ccc1F ZINC000055205227 525481743 /nfs/dbraw/zinc/48/17/43/525481743.db2.gz BUBPQPQZCANNAT-AWEZNQCLSA-N 1 0 294.167 3.945 10 0 CHAERO Cc1cccnc1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000071338968 525524838 /nfs/dbraw/zinc/52/48/38/525524838.db2.gz ANYOLUUQUNULHD-UHFFFAOYSA-N 1 0 268.404 3.977 10 0 CHAERO Cc1cc([C@H]([NH3+])c2ccc(Br)cc2)ccc1F ZINC000055205224 525536644 /nfs/dbraw/zinc/53/66/44/525536644.db2.gz BUBPQPQZCANNAT-CQSZACIVSA-N 1 0 294.167 3.945 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1N(C)C ZINC000093941409 525689269 /nfs/dbraw/zinc/68/92/69/525689269.db2.gz UZSMGJKWZSZAAD-PBHICJAKSA-N 1 0 296.414 3.927 10 0 CHAERO CSc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070322 526007451 /nfs/dbraw/zinc/00/74/51/526007451.db2.gz VNDIRKRHDYWDFS-HNNXBMFYSA-N 1 0 271.385 3.632 10 0 CHAERO CSc1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000069051755 526044841 /nfs/dbraw/zinc/04/48/41/526044841.db2.gz LFUSQGNNKSXVST-UHFFFAOYSA-N 1 0 253.411 3.566 10 0 CHAERO Cc1ccc(C(=O)[C@@H](C)[N@@H+]2CCCC2(C)C)cc1C ZINC000063071783 526239368 /nfs/dbraw/zinc/23/93/68/526239368.db2.gz CIUFTSJAAFNOHU-CQSZACIVSA-N 1 0 259.393 3.749 10 0 CHAERO Fc1ccc(F)c(SCCC[C@H]2CCC[NH2+]2)c1 ZINC000052782882 526350540 /nfs/dbraw/zinc/35/05/40/526350540.db2.gz ISWUDRUJLSVXLL-LLVKDONJSA-N 1 0 257.349 3.589 10 0 CHAERO Fc1ccc(SCC[NH2+]CC2CCCC2)cc1 ZINC000053607002 526360287 /nfs/dbraw/zinc/36/02/87/526360287.db2.gz DREZKANGJKLNRF-UHFFFAOYSA-N 1 0 253.386 3.698 10 0 CHAERO c1cc(CC[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)ccn1 ZINC000049538400 526421126 /nfs/dbraw/zinc/42/11/26/526421126.db2.gz HROIMBFZXVXSAT-ZACQAIPSSA-N 1 0 258.409 3.573 10 0 CHAERO c1ccc(COc2ccc3c(c2)[C@@H](C2CC2)[NH2+]CC3)cc1 ZINC000052095662 526473722 /nfs/dbraw/zinc/47/37/22/526473722.db2.gz RGTOFFUNPHULSW-LJQANCHMSA-N 1 0 279.383 3.862 10 0 CHAERO Cc1oc(C[NH3+])cc1COc1cc(C)c(Cl)c(C)c1 ZINC000052700075 526771730 /nfs/dbraw/zinc/77/17/30/526771730.db2.gz UXTINRKQIPREEX-UHFFFAOYSA-N 1 0 279.767 3.896 10 0 CHAERO NC(=[NH2+])C[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000055024095 526816629 /nfs/dbraw/zinc/81/66/29/526816629.db2.gz CENZVZKRGLAHIN-CQSZACIVSA-N 1 0 274.364 3.985 10 0 CHAERO Clc1cccc(Cl)c1CN1CCC[C@@H]1C[NH2+]C1CC1 ZINC000053649405 526979589 /nfs/dbraw/zinc/97/95/89/526979589.db2.gz PZBMWZMBABWTTD-GFCCVEGCSA-N 1 0 299.245 3.710 10 0 CHAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(Cl)cc1Cl ZINC000054601636 527146146 /nfs/dbraw/zinc/14/61/46/527146146.db2.gz KRWGFZWPNCWQAA-YOGCLGLASA-N 1 0 285.218 3.842 10 0 CHAERO [NH3+][C@@H](CC1CCOCC1)c1ccc2ccccc2c1 ZINC000054440562 527329426 /nfs/dbraw/zinc/32/94/26/527329426.db2.gz NBWADHMGEQIEIE-KRWDZBQOSA-N 1 0 255.361 3.656 10 0 CHAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)C1(c2ccccc2)CC1 ZINC000061618166 527334064 /nfs/dbraw/zinc/33/40/64/527334064.db2.gz CQSFQKZJPDYITR-INIZCTEOSA-N 1 0 271.791 3.942 10 0 CHAERO [NH3+][C@@H](c1ccc(OC(F)F)cc1)C1=CCCCC1 ZINC000050325726 527338988 /nfs/dbraw/zinc/33/89/88/527338988.db2.gz RDZIIIZAGYOMJU-CYBMUJFWSA-N 1 0 253.292 3.788 10 0 CHAERO [NH3+][C@@H]1CCCc2nc(-c3ccc(F)c(Cl)c3)sc21 ZINC000062792770 527361233 /nfs/dbraw/zinc/36/12/33/527361233.db2.gz JSUMLSQBPNTJKF-SNVBAGLBSA-N 1 0 282.771 3.939 10 0 CHAERO [NH3+][C@@H]1CCCc2nc(C3(c4ccccc4)CC3)sc21 ZINC000062781997 527361698 /nfs/dbraw/zinc/36/16/98/527361698.db2.gz PHSJZKWKIHRKOG-GFCCVEGCSA-N 1 0 270.401 3.559 10 0 CHAERO [NH3+][C@H](Cc1cccc(Cl)c1)Cc1ccc(F)cc1F ZINC000050885927 527388349 /nfs/dbraw/zinc/38/83/49/527388349.db2.gz HUDWIVGKMHPEHM-CQSZACIVSA-N 1 0 281.733 3.731 10 0 CHAERO Nc1cccc(Cl)c1SCCC[NH+]1CCCC1 ZINC000049333115 527518880 /nfs/dbraw/zinc/51/88/80/527518880.db2.gz FIHGVUMFXRLXNR-UHFFFAOYSA-N 1 0 270.829 3.500 10 0 CHAERO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000157690344 527693536 /nfs/dbraw/zinc/69/35/36/527693536.db2.gz UUFBALOGPHSDOD-CYBMUJFWSA-N 1 0 279.387 3.733 10 0 CHAERO CCc1ccccc1N1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000083542121 535945341 /nfs/dbraw/zinc/94/53/41/535945341.db2.gz MXBISTKQTWBAHK-SJLPKXTDSA-N 1 0 274.452 3.708 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccccc1C(C)(C)C ZINC000083441542 536169579 /nfs/dbraw/zinc/16/95/79/536169579.db2.gz AZHFZOBIBZORAL-KGLIPLIRSA-N 1 0 260.425 3.561 10 0 CHAERO Cc1ccccc1C[N@@H+](C[C@H](O)c1ccccc1)C(C)C ZINC000036104456 566994658 /nfs/dbraw/zinc/99/46/58/566994658.db2.gz AOOSALPZRPTMBN-IBGZPJMESA-N 1 0 283.415 3.939 10 0 CHAERO CCC[C@@H]([NH3+])c1cc2ccc(Br)cc2o1 ZINC000675081339 567027284 /nfs/dbraw/zinc/02/72/84/567027284.db2.gz RNLCWZJZKMWBQH-SNVBAGLBSA-N 1 0 268.154 3.995 10 0 CHAERO CCC1([NH+]2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000685961733 567210596 /nfs/dbraw/zinc/21/05/96/567210596.db2.gz VVUCKTAWVZJCFS-UHFFFAOYSA-N 1 0 296.455 3.652 10 0 CHAERO CC[C@H](CO)[N@H+](C/C(C)=C/c1ccco1)Cc1ccco1 ZINC000055212075 567894244 /nfs/dbraw/zinc/89/42/44/567894244.db2.gz WEELIWZIYYAHGL-YVGNARHYSA-N 1 0 289.375 3.549 10 0 CHAERO CC(C)n1cc(C[NH2+]Cc2ccncc2)c2ccccc21 ZINC000057353260 567894886 /nfs/dbraw/zinc/89/48/86/567894886.db2.gz JKGJDSCQMDEAKV-UHFFFAOYSA-N 1 0 279.387 3.907 10 0 CHAERO C[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000057353150 567895098 /nfs/dbraw/zinc/89/50/98/567895098.db2.gz YMQSKPCXFRVSSK-UHFFFAOYSA-N 1 0 264.372 3.717 10 0 CHAERO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000015006268 567931186 /nfs/dbraw/zinc/93/11/86/567931186.db2.gz UYXWFLLCLPBNSP-AWEZNQCLSA-N 1 0 299.393 3.948 10 0 CHAERO CNc1c(N)c[nH+]c2ccc(Oc3ccccc3Cl)cc21 ZINC000584882902 570229420 /nfs/dbraw/zinc/22/94/20/570229420.db2.gz ZFNYVERDHYSVCE-UHFFFAOYSA-N 1 0 299.761 3.726 10 0 CHAERO Brc1ccccc1[C@H]1C[NH2+]CC12CCCC2 ZINC000217243547 570306813 /nfs/dbraw/zinc/30/68/13/570306813.db2.gz POMNUBBENIRIOA-GFCCVEGCSA-N 1 0 280.209 3.696 10 0 CHAERO Brc1cccc([C@H]2C[NH2+]CC23CCCC3)c1 ZINC000217243540 570306838 /nfs/dbraw/zinc/30/68/38/570306838.db2.gz BAGRDZLDZIAXBQ-CYBMUJFWSA-N 1 0 280.209 3.696 10 0 CHAERO CC[NH+](CC)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000033868230 570404770 /nfs/dbraw/zinc/40/47/70/570404770.db2.gz HXSLLQIYINIVQP-LLVKDONJSA-N 1 0 259.315 3.978 10 0 CHAERO C[N+](C)(Cc1cc(Cl)ccc1F)C1CCCC1 ZINC000188634341 717157885 /nfs/dbraw/zinc/15/78/85/717157885.db2.gz QLJUICGJMAFSGM-UHFFFAOYSA-N 1 0 256.772 3.998 10 0 CHAERO c1csc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)n1 ZINC000195350713 1125564607 /nfs/dbraw/zinc/56/46/07/1125564607.db2.gz CQCPTKACATYGOY-GFCCVEGCSA-N 1 0 299.399 3.664 10 0 CHAERO CCCCc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367697243 1118055521 /nfs/dbraw/zinc/05/55/21/1118055521.db2.gz BESDGEOYAYEBAE-PILAGYSTSA-N 1 0 273.420 3.572 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCO2 ZINC000192750506 1123815469 /nfs/dbraw/zinc/81/54/69/1123815469.db2.gz CIFKZOBRZMLHJJ-IUODEOHRSA-N 1 0 297.354 3.590 10 0 CHAERO Cc1cc(N2CCC[C@H](n3cccn3)C2)c2ccccc2[nH+]1 ZINC000301206953 1123880582 /nfs/dbraw/zinc/88/05/82/1123880582.db2.gz ZSHMYDYAZJQVDK-HNNXBMFYSA-N 1 0 292.386 3.581 10 0 CHAERO Cc1oncc1C[N@@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191689301 1125328631 /nfs/dbraw/zinc/32/86/31/1125328631.db2.gz AMPUYARBTLBEJI-GFCCVEGCSA-N 1 0 292.329 3.641 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1COC ZINC000082445332 178021549 /nfs/dbraw/zinc/02/15/49/178021549.db2.gz MRFFLICWZBWNBQ-UHFFFAOYSA-N 1 0 290.432 3.765 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccccc2Cl)nc1COC ZINC000082445294 178021840 /nfs/dbraw/zinc/02/18/40/178021840.db2.gz FBRJMGJDNWGVRA-UHFFFAOYSA-N 1 0 296.823 3.719 10 0 CHAERO CC(C)[NH2+]Cc1sc([C@H]2CCCO2)nc1C(C)C ZINC000082430614 178008422 /nfs/dbraw/zinc/00/84/22/178008422.db2.gz GXHLLGODQSJJIF-LLVKDONJSA-N 1 0 268.426 3.616 10 0 CHAERO C[NH2+]Cc1sc(CCOc2ccccc2)nc1C(C)C ZINC000082430900 178008956 /nfs/dbraw/zinc/00/89/56/178008956.db2.gz HRFWRNQKYBAODJ-UHFFFAOYSA-N 1 0 290.432 3.607 10 0 CHAERO C[NH2+]Cc1sc(-c2ccc(OC)cc2)nc1C(C)C ZINC000082431123 178008961 /nfs/dbraw/zinc/00/89/61/178008961.db2.gz FSNQGNDTIDYXSR-UHFFFAOYSA-N 1 0 276.405 3.662 10 0 CHAERO CCN(CC)c1nc(C(C)C)c(C[NH2+]C(C)C)s1 ZINC000082434706 178011149 /nfs/dbraw/zinc/01/11/49/178011149.db2.gz SUVMUDCZKUKEJJ-UHFFFAOYSA-N 1 0 269.458 3.611 10 0 CHAERO [NH3+]Cc1sc(Cc2cccc(Cl)c2)nc1C1CC1 ZINC000082435636 178013196 /nfs/dbraw/zinc/01/31/96/178013196.db2.gz XQKVKHBKYINCLJ-UHFFFAOYSA-N 1 0 278.808 3.723 10 0 CHAERO C[NH2+]Cc1sc(Cc2cccc(Cl)c2)nc1C1CC1 ZINC000082435629 178013498 /nfs/dbraw/zinc/01/34/98/178013498.db2.gz IPZTVQLRTJCTKF-UHFFFAOYSA-N 1 0 292.835 3.984 10 0 CHAERO CC(C)[NH2+]Cc1sc(-c2ccccn2)nc1C1CC1 ZINC000082435647 178013578 /nfs/dbraw/zinc/01/35/78/178013578.db2.gz FEVFTRRRTNEYDS-UHFFFAOYSA-N 1 0 273.405 3.581 10 0 CHAERO CC(C)(C)c1nc(C2CC2)c(C[NH2+]C2CC2)s1 ZINC000082436339 178014148 /nfs/dbraw/zinc/01/41/48/178014148.db2.gz XXOMPOFJXIBREV-UHFFFAOYSA-N 1 0 250.411 3.570 10 0 CHAERO CCOc1cccc(-c2nc(C3CC3)c(C[NH3+])s2)c1 ZINC000082436689 178014906 /nfs/dbraw/zinc/01/49/06/178014906.db2.gz YTURIWLNYRKXFO-UHFFFAOYSA-N 1 0 274.389 3.545 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccccn2)nc1C(C)(C)C ZINC000082439175 178017383 /nfs/dbraw/zinc/01/73/83/178017383.db2.gz KYENJRAUVZKJCJ-UHFFFAOYSA-N 1 0 275.421 3.612 10 0 CHAERO C[NH2+]Cc1sc(-c2cccc(OC)c2)nc1C(C)(C)C ZINC000082440441 178018222 /nfs/dbraw/zinc/01/82/22/178018222.db2.gz CZYSZOLSNYGZOB-UHFFFAOYSA-N 1 0 290.432 3.836 10 0 CHAERO CCC[NH2+]Cc1sc([C@H]2CCCO2)nc1C(C)(C)C ZINC000082440117 178018272 /nfs/dbraw/zinc/01/82/72/178018272.db2.gz CIOMLOXBYBEALI-LLVKDONJSA-N 1 0 282.453 3.792 10 0 CHAERO C[NH2+][C@H]1CC2(CCCC2)Oc2ccc(Cl)cc21 ZINC000082508792 178074766 /nfs/dbraw/zinc/07/47/66/178074766.db2.gz QKRRQGVDDPZBDD-LBPRGKRZSA-N 1 0 251.757 3.696 10 0 CHAERO [NH3+]CC1(N(Cc2ccccc2)Cc2ccccc2)CCCC1 ZINC000095831197 185029372 /nfs/dbraw/zinc/02/93/72/185029372.db2.gz NTBGQNFPZYOJHR-UHFFFAOYSA-N 1 0 294.442 3.960 10 0 CHAERO [NH3+][C@H]1CC2(CCC2)Oc2c(Cl)cc(Cl)cc21 ZINC000095835672 185029450 /nfs/dbraw/zinc/02/94/50/185029450.db2.gz DZGWSEDHIMLGJT-JTQLQIEISA-N 1 0 258.148 3.698 10 0 CHAERO CC(C)C[N@@H+]1CCC[C@]12CCCN(Cc1ccccc1)C2 ZINC000096071383 185086768 /nfs/dbraw/zinc/08/67/68/185086768.db2.gz GALRZBHWJKGDBK-IBGZPJMESA-N 1 0 286.463 3.773 10 0 CHAERO CO[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccc(C)cc21 ZINC000096100205 185097773 /nfs/dbraw/zinc/09/77/73/185097773.db2.gz FYGGLWFUTPKDBQ-SFHVURJKSA-N 1 0 285.431 3.830 10 0 CHAERO CC(C)[C@H](CCCC[NH3+])c1ccc2c(c1)CCCO2 ZINC000096890752 185123725 /nfs/dbraw/zinc/12/37/25/185123725.db2.gz XKRYOMZRGVGQSK-INIZCTEOSA-N 1 0 261.409 3.880 10 0 CHAERO Fc1cc(Cl)ccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000083618939 178615849 /nfs/dbraw/zinc/61/58/49/178615849.db2.gz MJSIWGMJRUROBE-HNNXBMFYSA-N 1 0 261.727 3.714 10 0 CHAERO O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000085685074 179115324 /nfs/dbraw/zinc/11/53/24/179115324.db2.gz JCVCQLAVDTUWJI-QGZVFWFLSA-N 1 0 281.355 3.804 10 0 CHAERO C[C@H]([NH3+])c1ccc(N2CCCc3ccccc32)c(F)c1 ZINC000019872644 136579440 /nfs/dbraw/zinc/57/94/40/136579440.db2.gz JLZYASMDLSPDJD-LBPRGKRZSA-N 1 0 270.351 3.930 10 0 CHAERO CCCc1[nH+]c(-c2cccc(C)c2C)c(N)n1CC ZINC000103501214 185845424 /nfs/dbraw/zinc/84/54/24/185845424.db2.gz DWRDCLWZTKKRTP-UHFFFAOYSA-N 1 0 257.381 3.722 10 0 CHAERO CCCCCC[C@H](C)OC(=O)[C@@]1(CCC)CC[NH2+]C1 ZINC000104184713 185918000 /nfs/dbraw/zinc/91/80/00/185918000.db2.gz BGDNOHQUYRGREH-HOCLYGCPSA-N 1 0 269.429 3.668 10 0 CHAERO CC[C@@H]([NH3+])Cc1cccc(OCCc2cccs2)c1 ZINC000104259510 185946949 /nfs/dbraw/zinc/94/69/49/185946949.db2.gz BKUMMLOSMWOPAM-CQSZACIVSA-N 1 0 275.417 3.649 10 0 CHAERO Cc1ccc([C@@H](C)[NH3+])c(OCCc2cccs2)c1 ZINC000104270217 185949968 /nfs/dbraw/zinc/94/99/68/185949968.db2.gz IFWGEDJJULEWGY-GFCCVEGCSA-N 1 0 261.390 3.698 10 0 CHAERO Cc1cccc(Oc2ccc(C[C@H](C)[NH3+])cc2C)c1 ZINC000104293878 185957579 /nfs/dbraw/zinc/95/75/79/185957579.db2.gz UNDBMYJINCIZGS-AWEZNQCLSA-N 1 0 255.361 3.985 10 0 CHAERO c1nc(CC[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)cs1 ZINC000104440096 186003500 /nfs/dbraw/zinc/00/35/00/186003500.db2.gz CKEYRIBQDBIZLI-MCIONIFRSA-N 1 0 264.438 3.634 10 0 CHAERO CC[NH2+][C@H](C)c1cc(F)ccc1SCCCOC ZINC000104438324 186002416 /nfs/dbraw/zinc/00/24/16/186002416.db2.gz NFEVBDRGUQBEOP-LLVKDONJSA-N 1 0 271.401 3.625 10 0 CHAERO CC1(C[NH2+][C@H]2CCCc3cc(O)ccc32)CCCC1 ZINC000104444798 186004668 /nfs/dbraw/zinc/00/46/68/186004668.db2.gz GLJRAUYKABBBMU-INIZCTEOSA-N 1 0 259.393 3.940 10 0 CHAERO CCC(CC)[C@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000104449276 186006158 /nfs/dbraw/zinc/00/61/58/186006158.db2.gz WJSLBGZOYXGNHC-LBPRGKRZSA-N 1 0 262.397 3.559 10 0 CHAERO C[NH2+][C@H](C[C@H](C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000104442839 186003857 /nfs/dbraw/zinc/00/38/57/186003857.db2.gz QYTMXRZCUIRUET-SWLSCSKDSA-N 1 0 261.409 3.954 10 0 CHAERO Cc1ccc(C(=O)C[N@H+]2CCC[C@H](C)CC2)cc1C ZINC000111237604 186373093 /nfs/dbraw/zinc/37/30/93/186373093.db2.gz VOHRUAWRYIDXCA-ZDUSSCGKSA-N 1 0 259.393 3.608 10 0 CHAERO CCCCCOc1ccc(C2=[NH+]CCN2)c2ccccc12 ZINC000169322357 188658201 /nfs/dbraw/zinc/65/82/01/188658201.db2.gz LYXNXUAWYOACIY-UHFFFAOYSA-N 1 0 282.387 3.759 10 0 CHAERO CC[NH2+][C@@H](C)Cc1cccc(SC(F)(F)F)c1 ZINC000000000772 169502327 /nfs/dbraw/zinc/50/23/27/169502327.db2.gz HNONSDNCRNUTCT-VIFPVBQESA-N 1 0 263.328 3.839 10 0 in-man CHAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(Cl)s1 ZINC000051172578 184565507 /nfs/dbraw/zinc/56/55/07/184565507.db2.gz OOQQYIVNTVTREH-UHFFFAOYSA-N 1 0 294.807 3.763 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)C1CCCC1 ZINC000390601188 262226602 /nfs/dbraw/zinc/22/66/02/262226602.db2.gz XJXLISFJCIIABW-HUUCEWRRSA-N 1 0 261.409 3.760 10 0 CHAERO [NH3+]CCCC12CCC(c3ccccc31)c1ccccc12 ZINC000006117159 256746694 /nfs/dbraw/zinc/74/66/94/256746694.db2.gz IFHUOEQJTQWFGJ-UHFFFAOYSA-N 1 0 263.384 3.951 10 0 world CHAERO COCc1cc([C@@H](C)[NH2+][C@@H](C)C(C)C)ccc1OC ZINC000035660734 260033761 /nfs/dbraw/zinc/03/37/61/260033761.db2.gz JYPKMNITJHJJLU-QWHCGFSZSA-N 1 0 265.397 3.537 10 0 CHAERO CC(C)[NH2+]Cc1ccccc1N1C[C@H](C)C[C@@H](C)C1 ZINC000034824003 134782039 /nfs/dbraw/zinc/78/20/39/134782039.db2.gz VETUQBKVZVAOLI-HUUCEWRRSA-N 1 0 260.425 3.667 10 0 CHAERO CCCCc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2CC)cc1 ZINC000083441536 135021395 /nfs/dbraw/zinc/02/13/95/135021395.db2.gz HWXGSJKFFCCLMX-HOCLYGCPSA-N 1 0 260.425 3.606 10 0 CHAERO CC[C@@H]1CN(c2ccc(Cl)cc2Cl)[C@H](C)C[NH2+]1 ZINC000083536431 135027084 /nfs/dbraw/zinc/02/70/84/135027084.db2.gz KWMFAVDLQRDUDX-MWLCHTKSSA-N 1 0 273.207 3.570 10 0 CHAERO CCCCc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083542025 135028610 /nfs/dbraw/zinc/02/86/10/135028610.db2.gz WEIPIKWYRGSUQV-CRAIPNDOSA-N 1 0 274.452 3.852 10 0 CHAERO CCCCc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083542023 135028734 /nfs/dbraw/zinc/02/87/34/135028734.db2.gz WEIPIKWYRGSUQV-MAUKXSAKSA-N 1 0 274.452 3.852 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Oc1cccc(F)c1F)c1cccs1 ZINC000062612701 522652230 /nfs/dbraw/zinc/65/22/30/522652230.db2.gz JFJFKDURVLVZSJ-YGRLFVJLSA-N 1 0 283.343 3.884 10 0 CHAERO CN(C)c1cc[n+](-c2ccc(Nc3ccccc3)cc2)cc1 ZINC000005328368 170085753 /nfs/dbraw/zinc/08/57/53/170085753.db2.gz BUJKPRKVYFQWHX-UHFFFAOYSA-N 1 0 290.390 3.773 10 0 CHAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000005723398 170133159 /nfs/dbraw/zinc/13/31/59/170133159.db2.gz QUQCIZKURXCKIB-YJBOKZPZSA-N 1 0 251.373 3.922 10 0 CHAERO CC[C@H](O)C(C[C@@H](C)[NH2+]C)(c1ccccc1)c1ccccc1 ZINC000005921966 170155960 /nfs/dbraw/zinc/15/59/60/170155960.db2.gz KYHAUJGXNUJCTC-APWZRJJASA-N 1 0 297.442 3.742 10 0 CHAERO C[NH+](C)[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000005965220 170163691 /nfs/dbraw/zinc/16/36/91/170163691.db2.gz DXJUCAUQIHNOAF-FUHWJXTLSA-N 1 0 251.373 3.695 10 0 in-vitro CHAERO Fc1ccccc1CC[NH2+]CCCc1ccccc1 ZINC000006222956 170183733 /nfs/dbraw/zinc/18/37/33/170183733.db2.gz QWEKJBKDXZDSLO-UHFFFAOYSA-N 1 0 257.352 3.591 10 0 CHAERO Fc1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1F ZINC000006583717 170215673 /nfs/dbraw/zinc/21/56/73/170215673.db2.gz GQEABRAPJXBPRK-UHFFFAOYSA-N 1 0 272.298 3.736 10 0 CHAERO [NH3+]CCCc1ncc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000011587043 170422472 /nfs/dbraw/zinc/42/24/72/170422472.db2.gz GHGPPLGQXHDBLF-UHFFFAOYSA-N 1 0 271.147 3.540 10 0 CHAERO COc1cc(OC)c2c(c1)[C@H](CCc1ccccc1)[NH2+]CC2 ZINC000011599512 170425219 /nfs/dbraw/zinc/42/52/19/170425219.db2.gz FSENXMQZEHUOLT-SFHVURJKSA-N 1 0 297.398 3.523 10 0 CHAERO [NH3+][C@@H](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1 ZINC000011600684 170425453 /nfs/dbraw/zinc/42/54/53/170425453.db2.gz RALPFGDKKHMNQP-OAHLLOKOSA-N 1 0 263.743 3.592 10 0 CHAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1c(F)cccc1Cl ZINC000011602951 170425712 /nfs/dbraw/zinc/42/57/12/170425712.db2.gz HLGRNVKGQYPURE-ZDUSSCGKSA-N 1 0 267.706 3.861 10 0 CHAERO C[C@@H]([NH3+])Cc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000011883702 170451363 /nfs/dbraw/zinc/45/13/63/170451363.db2.gz RMPQJMDXKULQOX-LLVKDONJSA-N 1 0 274.433 3.997 10 0 CHAERO Cc1cc(OCc2ccccc2C[NH3+])cc(C)c1Cl ZINC000011945005 170459684 /nfs/dbraw/zinc/45/96/84/170459684.db2.gz PZACHSWMUZXOST-UHFFFAOYSA-N 1 0 275.779 3.995 10 0 CHAERO CCCc1ccc(Oc2ccc(CC[NH3+])cc2)cc1 ZINC000011993617 170465271 /nfs/dbraw/zinc/46/52/71/170465271.db2.gz GLUUALACCHWSAT-UHFFFAOYSA-N 1 0 255.361 3.933 10 0 CHAERO CC(C)c1ccc(O[C@H](C[NH3+])c2ccccc2)cc1 ZINC000019670784 170835436 /nfs/dbraw/zinc/83/54/36/170835436.db2.gz SQGHYUJSUZKERU-QGZVFWFLSA-N 1 0 255.361 3.889 10 0 CHAERO Cc1ccc(Cl)c(O[C@@H](C[NH3+])c2ccccc2)c1 ZINC000019670919 170835490 /nfs/dbraw/zinc/83/54/90/170835490.db2.gz VZARWCXRJXZFAD-HNNXBMFYSA-N 1 0 261.752 3.727 10 0 CHAERO CC(C)[NH+](CCN[C@H](C)c1c(F)cccc1F)C(C)C ZINC000019901024 170913166 /nfs/dbraw/zinc/91/31/66/170913166.db2.gz JEIMYMCVRUQBDC-CYBMUJFWSA-N 1 0 284.394 3.734 10 0 CHAERO C[C@@H]([NH2+]C1CCC(O)CC1)c1ccc2ccccc2c1 ZINC000019918692 170927168 /nfs/dbraw/zinc/92/71/68/170927168.db2.gz LCUNLSFJXJMWIY-NLNFPOJYSA-N 1 0 269.388 3.794 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])C2CCCC2)cc1OCC ZINC000019967794 170949656 /nfs/dbraw/zinc/94/96/56/170949656.db2.gz KDLNRQDCHIVBOU-INIZCTEOSA-N 1 0 263.381 3.674 10 0 CHAERO CC[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000019969167 170951708 /nfs/dbraw/zinc/95/17/08/170951708.db2.gz NSOJMGIBNKXNMP-SECBINFHSA-N 1 0 293.002 3.621 10 0 CHAERO Cc1ccc(C)c([C@@H]([NH3+])c2ccc3c(c2)CCC3)c1 ZINC000019971600 170954999 /nfs/dbraw/zinc/95/49/99/170954999.db2.gz ORWTVRGULOEEHY-SFHVURJKSA-N 1 0 251.373 3.840 10 0 CHAERO CCCC[N@H+](CC)[C@H](CN)c1cccc2ccccc21 ZINC000019992590 170962999 /nfs/dbraw/zinc/96/29/99/170962999.db2.gz YHURWJDYIUGOJT-GOSISDBHSA-N 1 0 270.420 3.962 10 0 CHAERO CCN1CCC[C@H]1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000020018398 170970734 /nfs/dbraw/zinc/97/07/34/170970734.db2.gz YMHQGGVLJJVIIA-FUHWJXTLSA-N 1 0 272.436 3.528 10 0 CHAERO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020122552 171002467 /nfs/dbraw/zinc/00/24/67/171002467.db2.gz CTDKNOCQIKLRBJ-LBPRGKRZSA-N 1 0 275.779 3.939 10 0 CHAERO C[C@H]([NH2+]CCCOCc1ccco1)c1ccccc1 ZINC000020147009 171034002 /nfs/dbraw/zinc/03/40/02/171034002.db2.gz LXFXDDUTTVHVPH-AWEZNQCLSA-N 1 0 259.349 3.537 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccs1 ZINC000020148524 171037188 /nfs/dbraw/zinc/03/71/88/171037188.db2.gz XRNQOIVNCRRYBN-DGCLKSJQSA-N 1 0 259.374 3.923 10 0 CHAERO [NH3+]CCc1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000020184398 171047450 /nfs/dbraw/zinc/04/74/50/171047450.db2.gz ZHMMPMIOPVCXQO-UHFFFAOYSA-N 1 0 280.396 3.978 10 0 CHAERO C[N@H+](Cc1ccccc1)Cc1cc(N)ccc1Cl ZINC000020192515 171058162 /nfs/dbraw/zinc/05/81/62/171058162.db2.gz CSHOXPKYNICYHM-UHFFFAOYSA-N 1 0 260.768 3.554 10 0 CHAERO C=COCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000020197579 171061965 /nfs/dbraw/zinc/06/19/65/171061965.db2.gz ZZKQPQYDYWCNIU-UHFFFAOYSA-N 1 0 267.372 3.916 10 0 CHAERO Cc1ccc(C(C)(C)C)c(OCC2CC[NH2+]CC2)c1 ZINC000020221688 171082882 /nfs/dbraw/zinc/08/28/82/171082882.db2.gz HBSWYEROVPTPJU-UHFFFAOYSA-N 1 0 261.409 3.671 10 0 CHAERO Cc1cccc([C@@H](CN)[N@H+](C)CC2CCCCC2)c1 ZINC000020225523 171088342 /nfs/dbraw/zinc/08/83/42/171088342.db2.gz DSKNBADYJJCQMR-QGZVFWFLSA-N 1 0 260.425 3.507 10 0 CHAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2cccc(Cl)c2)cc1 ZINC000020225554 171088819 /nfs/dbraw/zinc/08/88/19/171088819.db2.gz OAAIRNHDIHZLAP-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020225998 171089342 /nfs/dbraw/zinc/08/93/42/171089342.db2.gz YBKAUVYSLFZHMY-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO CN(Cc1ccccc1F)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226005 171090073 /nfs/dbraw/zinc/09/00/73/171090073.db2.gz XROBVKVCFRSTOB-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO CCOc1cccc([C@@H](CN)[N@H+](C)CC2CCCCC2)c1 ZINC000020226212 171090347 /nfs/dbraw/zinc/09/03/47/171090347.db2.gz MSZYSVGXDDDTSC-GOSISDBHSA-N 1 0 290.451 3.597 10 0 CHAERO Cc1cccc(CN(C)[C@H](C[NH3+])c2ccccc2Cl)c1 ZINC000020225901 171090483 /nfs/dbraw/zinc/09/04/83/171090483.db2.gz RZDAZJZGMUULGP-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO CC[C@@H](Oc1ccccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000020262544 171119515 /nfs/dbraw/zinc/11/95/15/171119515.db2.gz HWXUQCARQLSBTM-ZBFHGGJFSA-N 1 0 259.324 3.683 10 0 CHAERO CC[C@@H](Oc1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000020262604 171120598 /nfs/dbraw/zinc/12/05/98/171120598.db2.gz AZLYHJHNHQPQAE-CVEARBPZSA-N 1 0 259.324 3.683 10 0 CHAERO C[C@H]([NH3+])c1ccc(-c2ccccc2Br)o1 ZINC000020267851 171123942 /nfs/dbraw/zinc/12/39/42/171123942.db2.gz QBZXFNJDGJCAPC-QMMMGPOBSA-N 1 0 266.138 3.729 10 0 CHAERO C[C@H]([NH3+])c1ccc(-c2ccc(Br)cc2)o1 ZINC000020267858 171124297 /nfs/dbraw/zinc/12/42/97/171124297.db2.gz WALDUVZAIGZEQG-QMMMGPOBSA-N 1 0 266.138 3.729 10 0 CHAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC000020352322 171157046 /nfs/dbraw/zinc/15/70/46/171157046.db2.gz VATSLSGCZWPGEU-XKQJLSEDSA-N 1 0 261.409 3.985 10 0 CHAERO COc1ccc2oc([C@@H]([NH3+])c3ccc(C)cc3)cc2c1 ZINC000020389598 171178159 /nfs/dbraw/zinc/17/81/59/171178159.db2.gz ULJWVEIWCHNDGR-KRWDZBQOSA-N 1 0 267.328 3.798 10 0 CHAERO [NH3+]Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000020391704 171180050 /nfs/dbraw/zinc/18/00/50/171180050.db2.gz ABDMKNWOIXNPFD-UHFFFAOYSA-N 1 0 258.708 3.607 10 0 CHAERO [NH3+][C@@H](Cc1nc2ccccc2s1)c1cccs1 ZINC000020428195 171193087 /nfs/dbraw/zinc/19/30/87/171193087.db2.gz OSDJINWQOPDKHX-VIFPVBQESA-N 1 0 260.387 3.600 10 0 CHAERO [NH3+][C@H](Cc1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000020429130 171193983 /nfs/dbraw/zinc/19/39/83/171193983.db2.gz JAZGEBAOEXMBCJ-CYBMUJFWSA-N 1 0 267.159 3.631 10 0 CHAERO CC(C)(C)c1ccc([C@H]([NH3+])Cc2ccccn2)cc1 ZINC000020428977 171194225 /nfs/dbraw/zinc/19/42/25/171194225.db2.gz HHVIRBYNJSGSRH-MRXNPFEDSA-N 1 0 254.377 3.622 10 0 CHAERO CCOc1ccccc1[C@H]([NH3+])c1cc(C)sc1C ZINC000020431505 171196270 /nfs/dbraw/zinc/19/62/70/171196270.db2.gz CSRRFJILLMHOJV-HNNXBMFYSA-N 1 0 261.390 3.812 10 0 CHAERO C[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1C[NH3+] ZINC000020469977 171211371 /nfs/dbraw/zinc/21/13/71/171211371.db2.gz HVPHBZYHQYEMLQ-GXFFZTMASA-N 1 0 253.773 3.756 10 0 CHAERO CCCC[C@H](CC)C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000020482078 171222340 /nfs/dbraw/zinc/22/23/40/171222340.db2.gz LLQKOLVMKKBVJP-STQMWFEESA-N 1 0 262.397 3.861 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)c1cccs1 ZINC000020484840 171224415 /nfs/dbraw/zinc/22/44/15/171224415.db2.gz GETOCYUNYOFTCU-CYBMUJFWSA-N 1 0 254.443 3.650 10 0 CHAERO CCC(C)(C)OC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000020511928 171231098 /nfs/dbraw/zinc/23/10/98/171231098.db2.gz UKKQDRONAYZJCP-GFCCVEGCSA-N 1 0 275.314 3.910 10 0 CHAERO CCC(C)(C)OC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000020511931 171231278 /nfs/dbraw/zinc/23/12/78/171231278.db2.gz UKKQDRONAYZJCP-LBPRGKRZSA-N 1 0 275.314 3.910 10 0 CHAERO Cc1cccc(OC[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)c1 ZINC000020545143 171243387 /nfs/dbraw/zinc/24/33/87/171243387.db2.gz MSELAFMXKLWYLP-CHNSHAQVSA-N 1 0 285.431 3.918 10 0 CHAERO CCOc1ccc(O[C@H](C)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000020546344 171243990 /nfs/dbraw/zinc/24/39/90/171243990.db2.gz XOSPYPCUESVAEM-KDOFPFPSSA-N 1 0 285.387 3.861 10 0 CHAERO CCc1ccc([C@@H](C[NH3+])N(CC)c2ccccc2)cc1 ZINC000020546639 171244183 /nfs/dbraw/zinc/24/41/83/171244183.db2.gz KWSWMUKJMKAXDZ-GOSISDBHSA-N 1 0 268.404 3.775 10 0 CHAERO CN(C[C@@H]([NH3+])c1cccc2ccccc21)c1ccccc1 ZINC000020547765 171244825 /nfs/dbraw/zinc/24/48/25/171244825.db2.gz DSWSFQDFSDJRNQ-LJQANCHMSA-N 1 0 276.383 3.976 10 0 CHAERO COc1cccc(O[C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)c1 ZINC000020548812 171245929 /nfs/dbraw/zinc/24/59/29/171245929.db2.gz AEXXLGOGRSCMQS-MSOLQXFVSA-N 1 0 285.387 3.799 10 0 CHAERO CC(C)Oc1ccc([C@@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020553216 171248815 /nfs/dbraw/zinc/24/88/15/171248815.db2.gz HKIMEISSRDVBIU-DAYGRLMNSA-N 1 0 290.451 3.737 10 0 CHAERO CCOc1ccccc1[C@H]([NH3+])COc1c(C)cccc1C ZINC000020560606 171251803 /nfs/dbraw/zinc/25/18/03/171251803.db2.gz PTPDRVPCEWLODF-MRXNPFEDSA-N 1 0 285.387 3.781 10 0 CHAERO COc1ccc(C)cc1[C@@H]([NH3+])COc1c(C)cccc1C ZINC000020561207 171251844 /nfs/dbraw/zinc/25/18/44/171251844.db2.gz CPRRUJDLTUBVRZ-INIZCTEOSA-N 1 0 285.387 3.699 10 0 CHAERO [NH3+][C@H](COC1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000020563908 171253184 /nfs/dbraw/zinc/25/31/84/171253184.db2.gz JYKKSHIROPGELD-UFPBRMSXSA-N 1 0 277.452 3.879 10 0 CHAERO c1ccc2c(c1)CCC[C@H]2OCC[C@@H]1CCCC[NH2+]1 ZINC000020593573 171262968 /nfs/dbraw/zinc/26/29/68/171262968.db2.gz ASCNAGANMXXVDQ-DOTOQJQBSA-N 1 0 259.393 3.613 10 0 CHAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(SC(F)(F)F)cc1 ZINC000020594545 171263631 /nfs/dbraw/zinc/26/36/31/171263631.db2.gz IFRIBSHRCTWXCI-WHGOUJPWSA-N 1 0 261.312 3.749 10 0 CHAERO CC(C)[NH+]1CCC(Nc2ccc(F)cc2Cl)CC1 ZINC000020595241 171264173 /nfs/dbraw/zinc/26/41/73/171264173.db2.gz PGFULNNLJOVXGL-UHFFFAOYSA-N 1 0 270.779 3.764 10 0 CHAERO Fc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020595887 171264336 /nfs/dbraw/zinc/26/43/36/171264336.db2.gz JKPATRPQYZAMTP-OAHLLOKOSA-N 1 0 288.341 3.651 10 0 CHAERO CCCOc1ccccc1C[NH2+]CCc1ccccc1 ZINC000020924372 171280171 /nfs/dbraw/zinc/28/01/71/171280171.db2.gz JKJNONRWPDVOIS-UHFFFAOYSA-N 1 0 269.388 3.808 10 0 CHAERO COc1c(Cl)cc(C[NH2+]CC(C)C)cc1Cl ZINC000020928391 171280238 /nfs/dbraw/zinc/28/02/38/171280238.db2.gz ARCANSNLISDWIY-UHFFFAOYSA-N 1 0 262.180 3.748 10 0 CHAERO CCCOc1ccc(C[NH2+]C(C)C)cc1Br ZINC000020926085 171280525 /nfs/dbraw/zinc/28/05/25/171280525.db2.gz KCWJWZAAHCZSHB-UHFFFAOYSA-N 1 0 286.213 3.736 10 0 CHAERO COc1c(Cl)cc(C[NH2+]C(C)(C)C)cc1Cl ZINC000020928227 171280674 /nfs/dbraw/zinc/28/06/74/171280674.db2.gz PHBIIHUDMINOCO-UHFFFAOYSA-N 1 0 262.180 3.890 10 0 CHAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCOC ZINC000020930272 171280810 /nfs/dbraw/zinc/28/08/10/171280810.db2.gz OLSLUOCZTTZDTD-UHFFFAOYSA-N 1 0 292.206 3.518 10 0 CHAERO Cc1ccc(OC[C@@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000021009018 171286110 /nfs/dbraw/zinc/28/61/10/171286110.db2.gz QYZWTXXYYZPJSH-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO COc1ccc(C)cc1[C@H]([NH3+])COc1cccc(C)c1C ZINC000021010197 171286927 /nfs/dbraw/zinc/28/69/27/171286927.db2.gz JUXOWVOYDIJQMX-MRXNPFEDSA-N 1 0 285.387 3.699 10 0 CHAERO CCC(CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)N(C)C ZINC000021011865 171287473 /nfs/dbraw/zinc/28/74/73/171287473.db2.gz FBXLRJIYMURHDK-BPUTZDHNSA-N 1 0 254.462 3.521 10 0 CHAERO CCCCC[C@H](C)[NH2+]C[C@H](C(CC)CC)N(C)C ZINC000021040134 171293460 /nfs/dbraw/zinc/29/34/60/171293460.db2.gz ILBOEMIUPDTXDR-GOEBONIOSA-N 1 0 256.478 3.911 10 0 CHAERO Cc1ccc([C@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)cc1C ZINC000021501903 171305772 /nfs/dbraw/zinc/30/57/72/171305772.db2.gz DYDAUAZJBUDHRZ-IAOVAPTHSA-N 1 0 261.409 3.899 10 0 CHAERO Cc1ccc(O[C@@H](C)[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000021503255 171306297 /nfs/dbraw/zinc/30/62/97/171306297.db2.gz QWCOIRNMZYSRKH-YOEHRIQHSA-N 1 0 255.361 3.771 10 0 CHAERO c1ccc(CC[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000021503270 171306413 /nfs/dbraw/zinc/30/64/13/171306413.db2.gz KWMQCLYUDOBUCO-SFHVURJKSA-N 1 0 251.373 3.896 10 0 CHAERO Cc1cc(C)c([C@H](C[NH3+])N(C)c2ccccc2)c(C)c1 ZINC000021511014 171309965 /nfs/dbraw/zinc/30/99/65/171309965.db2.gz QXPDFHOCLWKCEL-KRWDZBQOSA-N 1 0 268.404 3.748 10 0 CHAERO CCc1ccc([C@@H]([NH3+])COc2cccc(C)c2C)cc1 ZINC000021512561 171310910 /nfs/dbraw/zinc/31/09/10/171310910.db2.gz BYZNDMHYQVTAKY-KRWDZBQOSA-N 1 0 269.388 3.945 10 0 CHAERO CC(C)CC[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000021514875 171312080 /nfs/dbraw/zinc/31/20/80/171312080.db2.gz IEIOMESVALJAIP-HZPDHXFCSA-N 1 0 254.462 3.521 10 0 CHAERO [NH3+][C@@H](COc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000021517096 171313305 /nfs/dbraw/zinc/31/33/05/171313305.db2.gz NHKFBVGMNGBTAJ-BMRMXDDPSA-N 1 0 289.394 3.748 10 0 CHAERO CC(C)[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC000021518976 171314849 /nfs/dbraw/zinc/31/48/49/171314849.db2.gz JTMRHKBOXZWLCW-DOMZBBRYSA-N 1 0 268.832 3.577 10 0 CHAERO CCCc1ccc([C@@H](C)[NH2+]CCN(CC)CC)cc1 ZINC000021788116 171322965 /nfs/dbraw/zinc/32/29/65/171322965.db2.gz PGZGDZMKHHZQCE-OAHLLOKOSA-N 1 0 262.441 3.632 10 0 CHAERO Cc1ccc(C)c([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000021793749 171324479 /nfs/dbraw/zinc/32/44/79/171324479.db2.gz OIUIGUZYUXJOGA-YQQAZPJKSA-N 1 0 260.425 3.566 10 0 CHAERO Cc1ccc([C@@H]([NH2+]CCN(C)C)c2ccccc2)c(C)c1 ZINC000022142065 171355547 /nfs/dbraw/zinc/35/55/47/171355547.db2.gz GKWWUBMZOYDGGL-IBGZPJMESA-N 1 0 282.431 3.544 10 0 CHAERO CC[C@H]([NH3+])c1ccc(OCCc2ccccc2)cc1 ZINC000022161741 171364289 /nfs/dbraw/zinc/36/42/89/171364289.db2.gz BBDDYYLCURXSAQ-KRWDZBQOSA-N 1 0 255.361 3.718 10 0 CHAERO [NH3+]Cc1ccccc1-c1ccc(COCC(F)(F)F)cc1 ZINC000022167634 171366560 /nfs/dbraw/zinc/36/65/60/171366560.db2.gz QVZBURILXKRFFR-UHFFFAOYSA-N 1 0 295.304 3.891 10 0 CHAERO [NH3+]Cc1cccc(COc2ccc3ccccc3c2)c1 ZINC000022171100 171368282 /nfs/dbraw/zinc/36/82/82/171368282.db2.gz MMHKBBNQZSBTLF-UHFFFAOYSA-N 1 0 263.340 3.878 10 0 CHAERO COc1ccc(Oc2ccc(C[NH3+])cn2)c(C(C)(C)C)c1 ZINC000022176364 171370642 /nfs/dbraw/zinc/37/06/42/171370642.db2.gz IMDHEZJEPLDWPY-UHFFFAOYSA-N 1 0 286.375 3.639 10 0 CHAERO CC(C)c1ccccc1OCc1cccc(C[NH3+])c1 ZINC000022177865 171371666 /nfs/dbraw/zinc/37/16/66/171371666.db2.gz NOZUVASQNPOWRO-UHFFFAOYSA-N 1 0 255.361 3.848 10 0 CHAERO CC(C)N(C)[C@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000022177499 171371703 /nfs/dbraw/zinc/37/17/03/171371703.db2.gz HHXBFJWEIFZPJH-GFCCVEGCSA-N 1 0 292.370 3.639 10 0 CHAERO CC[C@@H](C)c1ccccc1Oc1cc(C[NH3+])ccn1 ZINC000022223055 171379421 /nfs/dbraw/zinc/37/94/21/171379421.db2.gz YCIQCZWULLXNKE-GFCCVEGCSA-N 1 0 256.349 3.846 10 0 CHAERO [NH3+][C@H](COC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000022565789 171391955 /nfs/dbraw/zinc/39/19/55/171391955.db2.gz BQKFVNCIYMWSRO-CYBMUJFWSA-N 1 0 273.298 3.664 10 0 CHAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Oc2ccccc2F)cc1 ZINC000022564845 171391998 /nfs/dbraw/zinc/39/19/98/171391998.db2.gz WVEDLAYFARMKEF-LRDDRELGSA-N 1 0 259.324 3.601 10 0 CHAERO C[NH2+]CCNC1(c2cc3ccccc3s2)CCCCC1 ZINC000022936153 171404343 /nfs/dbraw/zinc/40/43/43/171404343.db2.gz BYHRVWUKCOPJNF-UHFFFAOYSA-N 1 0 288.460 3.870 10 0 CHAERO Cc1ccccc1O[C@@H](CCC[NH3+])c1ccccc1 ZINC000032108778 171701020 /nfs/dbraw/zinc/70/10/20/171701020.db2.gz RHUNBCXGNUTQGR-KRWDZBQOSA-N 1 0 255.361 3.854 10 0 CHAERO CCc1ccccc1O[C@H](CC[NH3+])c1ccccc1 ZINC000032108749 171701361 /nfs/dbraw/zinc/70/13/61/171701361.db2.gz QPEMOHKMGWQGCY-QGZVFWFLSA-N 1 0 255.361 3.718 10 0 CHAERO CCC[NH2+][C@H](C)c1ccccc1Sc1nncs1 ZINC000034668980 171856048 /nfs/dbraw/zinc/85/60/48/171856048.db2.gz CXOJHVBEKQYHMT-SNVBAGLBSA-N 1 0 279.434 3.750 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc(F)c(F)c2)s1 ZINC000034670812 171856931 /nfs/dbraw/zinc/85/69/31/171856931.db2.gz NVQRPTLBGWSUCA-UHFFFAOYSA-N 1 0 253.317 3.803 10 0 CHAERO O=C(C[NH+]1CCCCCCC1)c1ccc(Cl)cc1 ZINC000034989886 171916920 /nfs/dbraw/zinc/91/69/20/171916920.db2.gz ICTXFBDBCKJLLW-UHFFFAOYSA-N 1 0 265.784 3.789 10 0 CHAERO FC(F)(F)c1cccc(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)c1 ZINC000034995867 171924394 /nfs/dbraw/zinc/92/43/94/171924394.db2.gz GCJYYDJTGVCHBK-KWCYVHTRSA-N 1 0 267.294 3.760 10 0 CHAERO CCC[C@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159870 172017540 /nfs/dbraw/zinc/01/75/40/172017540.db2.gz FQLXYENPSTUGGJ-VIFPVBQESA-N 1 0 289.206 3.710 10 0 CHAERO CC(C)[C@H]([C@@H](N)c1ccccc1)[N@H+](C)C1CCCCC1 ZINC000035219788 172060899 /nfs/dbraw/zinc/06/08/99/172060899.db2.gz YCXBKAJKCLKQHJ-ZWKOTPCHSA-N 1 0 274.452 3.976 10 0 CHAERO C[NH2+]Cc1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035284892 172103182 /nfs/dbraw/zinc/10/31/82/172103182.db2.gz UJJIPUPZIWZHGP-UHFFFAOYSA-N 1 0 255.745 3.927 10 0 CHAERO Cc1cc([C@@H]([NH3+])c2ccc3c(c2)CCCC3)c(C)o1 ZINC000035380810 172163727 /nfs/dbraw/zinc/16/37/27/172163727.db2.gz OEHMOFCOWBXMHZ-KRWDZBQOSA-N 1 0 255.361 3.823 10 0 CHAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1cccs1 ZINC000035381732 172164381 /nfs/dbraw/zinc/16/43/81/172164381.db2.gz VLGFTMACZSNQTC-GFCCVEGCSA-N 1 0 298.205 3.567 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CCCC1 ZINC000035462201 172210936 /nfs/dbraw/zinc/21/09/36/172210936.db2.gz VRBBXCFTWUWCBG-CQSZACIVSA-N 1 0 253.773 3.799 10 0 CHAERO C[NH2+][C@@H](c1cc2c(s1)CCCC2)c1ccccc1 ZINC000035464797 172212633 /nfs/dbraw/zinc/21/26/33/172212633.db2.gz CZDYYTMEKHGIGQ-MRXNPFEDSA-N 1 0 257.402 3.936 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc(CCOC)cc1 ZINC000035467407 172216195 /nfs/dbraw/zinc/21/61/95/172216195.db2.gz GLULHNJCKFRRHM-OAHLLOKOSA-N 1 0 275.417 3.554 10 0 CHAERO C[NH2+][C@H](c1ccc(F)c(F)c1)c1ccc(C)cc1C ZINC000035468164 172217139 /nfs/dbraw/zinc/21/71/39/172217139.db2.gz FVCVXKQKJWXTQS-MRXNPFEDSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1ccccc1OC(F)F ZINC000035487875 172222829 /nfs/dbraw/zinc/22/28/29/172222829.db2.gz DFEGKZISOWVJIU-GFCCVEGCSA-N 1 0 269.316 3.658 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1c(F)cccc1Cl ZINC000035488296 172222909 /nfs/dbraw/zinc/22/29/09/172222909.db2.gz UJUXCBUJRBAOFB-GFCCVEGCSA-N 1 0 255.745 3.849 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccc(Cl)s1 ZINC000035498260 172231177 /nfs/dbraw/zinc/23/11/77/172231177.db2.gz MWYOFJOYZZROBE-LBPRGKRZSA-N 1 0 281.808 3.913 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(F)cc1F ZINC000035497687 172231522 /nfs/dbraw/zinc/23/15/22/172231522.db2.gz COVHGQYGKZGMEZ-AWEZNQCLSA-N 1 0 267.344 3.952 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(F)ccc1OC ZINC000035498973 172231859 /nfs/dbraw/zinc/23/18/59/172231859.db2.gz BKEOLIRICAWVGC-CQSZACIVSA-N 1 0 265.353 3.513 10 0 CHAERO CCCCC[C@H]([NH2+]C)c1cnn(-c2ccccc2)c1 ZINC000035500472 172234214 /nfs/dbraw/zinc/23/42/14/172234214.db2.gz GTLSJPMMSFSTJK-INIZCTEOSA-N 1 0 257.381 3.713 10 0 CHAERO CCOc1cc(Cl)c([C@H](CC)[NH2+]C)cc1OCC ZINC000035501056 172234602 /nfs/dbraw/zinc/23/46/02/172234602.db2.gz BJOLYDDECISAAD-LBPRGKRZSA-N 1 0 271.788 3.808 10 0 CHAERO CC[C@@H](C)[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCCO2 ZINC000035501150 172234612 /nfs/dbraw/zinc/23/46/12/172234612.db2.gz AWHULWFWNZJNGX-BMIGLBTASA-N 1 0 283.799 3.808 10 0 CHAERO C[NH2+][C@@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000035501512 172235525 /nfs/dbraw/zinc/23/55/25/172235525.db2.gz MCVUHCRVLPNCRZ-ZDUSSCGKSA-N 1 0 267.159 3.697 10 0 CHAERO CCOc1ccc(Br)cc1[C@@H]([NH2+]C)C1CCC1 ZINC000035505955 172239194 /nfs/dbraw/zinc/23/91/94/172239194.db2.gz FCPOTMYWKDVPSR-AWEZNQCLSA-N 1 0 298.224 3.908 10 0 CHAERO CCC[C@H]([NH2+]CC)c1cc(Br)ccc1OC ZINC000035508874 172240972 /nfs/dbraw/zinc/24/09/72/172240972.db2.gz XTTCHHJTJBQCRO-LBPRGKRZSA-N 1 0 286.213 3.908 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccccc1OC ZINC000035510293 172241742 /nfs/dbraw/zinc/24/17/42/172241742.db2.gz PCYHPICMZABWOL-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO CCCC[C@@H]([NH2+]CC)c1ccc(OC)c(OC)c1 ZINC000035539464 172245779 /nfs/dbraw/zinc/24/57/79/172245779.db2.gz DDAQCQVKWKBKGT-CYBMUJFWSA-N 1 0 251.370 3.545 10 0 CHAERO CC[NH2+][C@@H](c1sccc1C)c1ccc2c(c1)CCO2 ZINC000035542157 172250441 /nfs/dbraw/zinc/25/04/41/172250441.db2.gz GLOQFCGMAQIVIT-OAHLLOKOSA-N 1 0 273.401 3.690 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1cncc(Br)c1 ZINC000035545364 172253736 /nfs/dbraw/zinc/25/37/36/172253736.db2.gz CKMSPSQHRXCROL-LBPRGKRZSA-N 1 0 297.221 3.605 10 0 CHAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(F)cc1F ZINC000035547265 172254932 /nfs/dbraw/zinc/25/49/32/172254932.db2.gz QMUYMKMAZBYINL-OAHLLOKOSA-N 1 0 265.303 3.874 10 0 CHAERO CC[NH2+][C@@H](c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC000035549060 172256473 /nfs/dbraw/zinc/25/64/73/172256473.db2.gz FQVZHFRXADUFAV-INIZCTEOSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@H](c1ccco1)c1ccc(OC(C)C)cc1 ZINC000035553816 172259894 /nfs/dbraw/zinc/25/98/94/172259894.db2.gz CBPJYSCKSRXPFJ-INIZCTEOSA-N 1 0 259.349 3.766 10 0 CHAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc(OC)c(F)c1 ZINC000035572175 172268380 /nfs/dbraw/zinc/26/83/80/172268380.db2.gz GZZGNMAVBROMKC-NHYWBVRUSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@H](c1ccoc1C)c1ccc(OC)cc1 ZINC000035576277 172272992 /nfs/dbraw/zinc/27/29/92/172272992.db2.gz WOGNBXJHVDDNEU-INIZCTEOSA-N 1 0 259.349 3.686 10 0 CHAERO CCC[NH2+][C@H](c1cc(OC)ccc1OC)[C@H](C)CC ZINC000035577876 172274335 /nfs/dbraw/zinc/27/43/35/172274335.db2.gz KZFGXILNOYCXHJ-WBMJQRKESA-N 1 0 265.397 3.791 10 0 CHAERO CCC[NH2+][C@@H](CC(F)(F)F)c1cc(F)ccc1F ZINC000035580364 172276434 /nfs/dbraw/zinc/27/64/34/172276434.db2.gz QQFNRHKUHLMROL-NSHDSACASA-N 1 0 267.241 3.958 10 0 CHAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035586654 172285972 /nfs/dbraw/zinc/28/59/72/172285972.db2.gz MEXBNJHZTPDWEX-GFCCVEGCSA-N 1 0 298.217 4.000 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000035635077 172319125 /nfs/dbraw/zinc/31/91/25/172319125.db2.gz CZDVEOZLZUYHKJ-GFCCVEGCSA-N 1 0 262.397 3.732 10 0 CHAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)C(CC)CC)c1 ZINC000035635405 172320784 /nfs/dbraw/zinc/32/07/84/172320784.db2.gz WRNKXHLPTWYIPN-LBPRGKRZSA-N 1 0 262.397 3.732 10 0 CHAERO Clc1ccc(Cl)c2c1OCCC[C@@H]2[NH2+]C1CC1 ZINC000035654222 172330727 /nfs/dbraw/zinc/33/07/27/172330727.db2.gz WMWVRWQULVDLDM-NSHDSACASA-N 1 0 272.175 3.959 10 0 CHAERO COc1cccc(S[C@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000035723287 172378679 /nfs/dbraw/zinc/37/86/79/172378679.db2.gz QFUILIQKKHROCO-WFASDCNBSA-N 1 0 265.422 3.695 10 0 CHAERO COc1ccc(S[C@H]2CCCCC[C@H]2C[NH3+])cc1 ZINC000035723798 172379135 /nfs/dbraw/zinc/37/91/35/172379135.db2.gz QEMLLUZSDRNPIX-WFASDCNBSA-N 1 0 265.422 3.695 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1ccc2c(c1)CCC2 ZINC000035724876 172379918 /nfs/dbraw/zinc/37/99/18/172379918.db2.gz PNMUBJPCARWHMA-GDBMZVCRSA-N 1 0 261.434 3.785 10 0 CHAERO Cc1cc(Cl)ccc1OCc1ccccc1C[NH3+] ZINC000035726764 172380419 /nfs/dbraw/zinc/38/04/19/172380419.db2.gz VEZRWTXWMGUFFN-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO COC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000035748224 172395622 /nfs/dbraw/zinc/39/56/22/172395622.db2.gz BLDPLKSTXQVLFK-IUCAKERBSA-N 1 0 290.190 3.596 10 0 CHAERO C[C@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)[C@@H]1CCCO1 ZINC000036845072 172747612 /nfs/dbraw/zinc/74/76/12/172747612.db2.gz AHAFIBGJBYNZIH-WIRQWFGLSA-N 1 0 279.811 3.743 10 0 CHAERO CCC(C)(C)Oc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000036889184 172783625 /nfs/dbraw/zinc/78/36/25/172783625.db2.gz HUXCZFTXMXVUIA-UHFFFAOYSA-N 1 0 274.286 3.557 10 0 CHAERO CCC[C@H](C)[C@@H]([NH3+])c1cc(OC)c(OC)cc1Cl ZINC000036926202 172809058 /nfs/dbraw/zinc/80/90/58/172809058.db2.gz JIWWOEULNNOSKQ-LKFCYVNXSA-N 1 0 271.788 3.793 10 0 CHAERO CC(C)=CCN1CCC([NH2+][C@H](C)CCC(C)C)CC1 ZINC000037218640 173036529 /nfs/dbraw/zinc/03/65/29/173036529.db2.gz PSVBZVAJTALZQM-MRXNPFEDSA-N 1 0 266.473 3.831 10 0 CHAERO Cc1ccc(N[C@@H](C)[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000037221879 173041453 /nfs/dbraw/zinc/04/14/53/173041453.db2.gz UMSQJDHIEIBVFD-STQMWFEESA-N 1 0 266.816 3.791 10 0 CHAERO CCc1ccc([C@@H](N)[C@H](C)[N@H+](CC)CC(C)C)cc1 ZINC000037223838 173045034 /nfs/dbraw/zinc/04/50/34/173045034.db2.gz HBSZOGHBUKUVFY-YOEHRIQHSA-N 1 0 262.441 3.615 10 0 CHAERO CC(C)C[C@@H](C)[NH2+][C@H](c1cccs1)c1nccn1C ZINC000037255455 173066372 /nfs/dbraw/zinc/06/63/72/173066372.db2.gz DXZSQLLWBUSPNU-TZMCWYRMSA-N 1 0 277.437 3.595 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000037321599 173121729 /nfs/dbraw/zinc/12/17/29/173121729.db2.gz LAUBXVYCDGMSQU-WBVHZDCISA-N 1 0 262.441 3.622 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000037321600 173122109 /nfs/dbraw/zinc/12/21/09/173122109.db2.gz LAUBXVYCDGMSQU-RDJZCZTQSA-N 1 0 262.441 3.622 10 0 CHAERO FC(F)(F)Oc1ccc(CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000037328138 173128905 /nfs/dbraw/zinc/12/89/05/173128905.db2.gz IVCAYTRNLQBQIX-LBPRGKRZSA-N 1 0 273.298 3.660 10 0 CHAERO CC(C)CN(C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424892 173199358 /nfs/dbraw/zinc/19/93/58/173199358.db2.gz KMJXOMDAQVRYAU-CYBMUJFWSA-N 1 0 275.223 3.581 10 0 CHAERO CC(C)n1c2ccc(F)cc2nc1[C@@H]([NH3+])c1ccccc1 ZINC000037439751 173209319 /nfs/dbraw/zinc/20/93/19/173209319.db2.gz PDBYOYPBFHZCGN-INIZCTEOSA-N 1 0 283.350 3.804 10 0 CHAERO CCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])C(C)(C)C ZINC000037440376 173210263 /nfs/dbraw/zinc/21/02/63/173210263.db2.gz CPCRIPMQXQQOPT-LBPRGKRZSA-N 1 0 265.788 3.756 10 0 CHAERO CCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])C(C)(C)C ZINC000037440378 173210357 /nfs/dbraw/zinc/21/03/57/173210357.db2.gz CPCRIPMQXQQOPT-GFCCVEGCSA-N 1 0 265.788 3.756 10 0 CHAERO CC(C)(C)[C@H]([NH3+])c1nc2c(cccc2F)n1C1CC1 ZINC000037442980 173212286 /nfs/dbraw/zinc/21/22/86/173212286.db2.gz CNGIIVPGNGEKKY-CYBMUJFWSA-N 1 0 261.344 3.556 10 0 CHAERO Clc1cccc2nc([C@H]3CCCC[NH2+]3)n(C3CC3)c21 ZINC000037444436 173212382 /nfs/dbraw/zinc/21/23/82/173212382.db2.gz TYFGLCXLQRXNCU-CYBMUJFWSA-N 1 0 275.783 3.839 10 0 CHAERO [NH3+][C@H](Cc1ccc(Br)cc1)C1CCCC1 ZINC000037466263 173226176 /nfs/dbraw/zinc/22/61/76/173226176.db2.gz NKVASLKOMNKECW-CYBMUJFWSA-N 1 0 268.198 3.509 10 0 CHAERO Cc1ccc([C@@](C)([NH3+])c2cccc(Br)c2)cc1 ZINC000037529751 173252679 /nfs/dbraw/zinc/25/26/79/173252679.db2.gz NODMMJIVNIODDV-OAHLLOKOSA-N 1 0 290.204 3.980 10 0 CHAERO COc1ccc([C@](C)([NH3+])c2ccc(Cl)cc2)cc1 ZINC000037529695 173252726 /nfs/dbraw/zinc/25/27/26/173252726.db2.gz XOVNCWYWZYHHHJ-OAHLLOKOSA-N 1 0 261.752 3.571 10 0 CHAERO C[C@@]([NH3+])(c1cccc(F)c1)c1ccccc1Br ZINC000037529768 173252924 /nfs/dbraw/zinc/25/29/24/173252924.db2.gz VKGCYTDZESJBKH-CQSZACIVSA-N 1 0 294.167 3.810 10 0 CHAERO CC[NH2+][C@H](c1cccc(C)c1)c1ccccc1OC ZINC000037533009 173253703 /nfs/dbraw/zinc/25/37/03/173253703.db2.gz RPERUCTYTCUKRI-QGZVFWFLSA-N 1 0 255.361 3.703 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1F)c1cccc(Br)c1 ZINC000037533856 173254267 /nfs/dbraw/zinc/25/42/67/173254267.db2.gz BZOAQANAYPDSQO-AWEZNQCLSA-N 1 0 294.167 3.831 10 0 CHAERO CCC[NH2+][C@H](Cc1ccccc1F)c1ccncc1 ZINC000037534700 173254351 /nfs/dbraw/zinc/25/43/51/173254351.db2.gz CEAMJIYEZGCJBB-MRXNPFEDSA-N 1 0 258.340 3.504 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1)Cc1cccc(F)c1 ZINC000037534327 173254376 /nfs/dbraw/zinc/25/43/76/173254376.db2.gz CRWMLOSEMPHTKG-KRWDZBQOSA-N 1 0 257.352 3.589 10 0 CHAERO [NH3+][C@@H](CCc1nc2ccccc2s1)c1ccccc1 ZINC000037600209 173553910 /nfs/dbraw/zinc/55/39/10/173553910.db2.gz DNIYNSCFBNMFHV-ZDUSSCGKSA-N 1 0 268.385 3.929 10 0 CHAERO CC[C@H](C)[NH2+]Cc1nc2cccc(Cl)c2n1C1CC1 ZINC000037600197 173554154 /nfs/dbraw/zinc/55/41/54/173554154.db2.gz GJGGPXJZCKUFOZ-JTQLQIEISA-N 1 0 277.799 3.913 10 0 CHAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1OCC(F)(F)F ZINC000037725940 173644303 /nfs/dbraw/zinc/64/43/03/173644303.db2.gz CLDNKJLBZWCWGW-JTQLQIEISA-N 1 0 281.705 3.561 10 0 CHAERO C[NH2+][C@@H](CCc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000037948942 173889198 /nfs/dbraw/zinc/88/91/98/173889198.db2.gz NYSBNZAQGVMEQL-ZDUSSCGKSA-N 1 0 275.314 3.762 10 0 CHAERO CC[NH2+][C@@H](C)[C@@H](C)Cc1cc(Cl)ccc1OC ZINC000037949535 173889762 /nfs/dbraw/zinc/88/97/62/173889762.db2.gz MLWRIABBMYZZOW-QWRGUYRKSA-N 1 0 255.789 3.525 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)CC)cc1 ZINC000037980721 173940215 /nfs/dbraw/zinc/94/02/15/173940215.db2.gz SVMHYBLRKRLPNZ-KBPBESRZSA-N 1 0 290.451 3.593 10 0 CHAERO C[C@@H]([NH2+]C[C@@H](O)c1cccs1)c1cccc(Cl)c1 ZINC000037984590 173945804 /nfs/dbraw/zinc/94/58/04/173945804.db2.gz KODRKQPPQHLJCW-ZWNOBZJWSA-N 1 0 281.808 3.786 10 0 CHAERO CCC[NH2+][C@H](C)CCc1ccc(Br)cc1F ZINC000038001148 173963937 /nfs/dbraw/zinc/96/39/37/173963937.db2.gz QXBBWZTUJROYLD-SNVBAGLBSA-N 1 0 288.204 3.909 10 0 CHAERO Cc1ccc([C@H]([NH2+]C[C@H](C)N2CCCCC2)C2CC2)cc1 ZINC000038029022 174018473 /nfs/dbraw/zinc/01/84/73/174018473.db2.gz NFJHZVSXFPJZPN-LPHOPBHVSA-N 1 0 286.463 3.910 10 0 CHAERO C[C@H](CNc1ncc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000038029351 174019188 /nfs/dbraw/zinc/01/91/88/174019188.db2.gz IMQCBZANVULZNT-SNVBAGLBSA-N 1 0 288.222 3.675 10 0 CHAERO CCN(CC)CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030709 174022248 /nfs/dbraw/zinc/02/22/48/174022248.db2.gz GRWMEFJWRZBUKM-UHFFFAOYSA-N 1 0 288.460 3.847 10 0 CHAERO Nc1cccc2c1CC[N@@H+]([C@H]1CCSc3ccccc31)C2 ZINC000038032653 174029297 /nfs/dbraw/zinc/02/92/97/174029297.db2.gz HDTKJCWLKRODQG-KRWDZBQOSA-N 1 0 296.439 3.864 10 0 CHAERO Cc1ccc(SCC[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032808 174029947 /nfs/dbraw/zinc/02/99/47/174029947.db2.gz VJFMCCLOEQKIOT-UHFFFAOYSA-N 1 0 298.455 3.728 10 0 CHAERO [NH3+][C@@H](c1nc2cc(Cl)ccc2[nH]1)C1CCCCC1 ZINC000038036746 174035970 /nfs/dbraw/zinc/03/59/70/174035970.db2.gz YRJSDWKXNNIWKK-CYBMUJFWSA-N 1 0 263.772 3.796 10 0 CHAERO CCCOc1cccc(C[NH2+][C@@H](C)c2ccncc2)c1 ZINC000038038259 174038794 /nfs/dbraw/zinc/03/87/94/174038794.db2.gz OFBXNVNJIJBCCA-AWEZNQCLSA-N 1 0 270.376 3.721 10 0 CHAERO COc1ccc(-c2ccccc2C[NH2+]C2CC2)cc1 ZINC000038070964 174082032 /nfs/dbraw/zinc/08/20/32/174082032.db2.gz UCBODHCHTQXFPW-UHFFFAOYSA-N 1 0 253.345 3.614 10 0 CHAERO COc1cccc(-c2cccc(C[NH2+]C(C)C)c2)c1 ZINC000038071466 174082187 /nfs/dbraw/zinc/08/21/87/174082187.db2.gz CZGIPIPGYLTKKA-UHFFFAOYSA-N 1 0 255.361 3.860 10 0 CHAERO CC[NH2+]Cc1cc(-c2cccc(F)c2)ccc1OC ZINC000038071644 174082725 /nfs/dbraw/zinc/08/27/25/174082725.db2.gz DINOKQCYUCXUAW-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO C[NH2+]Cc1cc(-c2ccc3c(c2)CCC3)ccc1F ZINC000038073349 174083237 /nfs/dbraw/zinc/08/32/37/174083237.db2.gz NBRGUOSYLWFXMX-UHFFFAOYSA-N 1 0 255.336 3.701 10 0 CHAERO CC[NH2+]Cc1ccc(-c2c(F)cc(F)cc2F)cc1 ZINC000038072770 174083310 /nfs/dbraw/zinc/08/33/10/174083310.db2.gz KEBNWYURYPNRHM-UHFFFAOYSA-N 1 0 265.278 3.880 10 0 CHAERO C[NH2+]Cc1ccc(F)c(-c2c(F)cc(F)cc2F)c1 ZINC000038072824 174083446 /nfs/dbraw/zinc/08/34/46/174083446.db2.gz GIVKLUPMHVTTPI-UHFFFAOYSA-N 1 0 269.241 3.629 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(OC)c(F)c2)cc1 ZINC000038073674 174084027 /nfs/dbraw/zinc/08/40/27/174084027.db2.gz KKGWZDNZYJDLLV-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(OC)c(F)c2)cc1 ZINC000038073698 174084042 /nfs/dbraw/zinc/08/40/42/174084042.db2.gz XBQOCHZVGVCUHQ-OAHLLOKOSA-N 1 0 259.324 3.911 10 0 CHAERO CC[NH2+]Cc1cccc(-c2ccc(OC)c(C)c2)c1 ZINC000038073643 174084085 /nfs/dbraw/zinc/08/40/85/174084085.db2.gz YKNGXHACJNVVRQ-UHFFFAOYSA-N 1 0 255.361 3.780 10 0 CHAERO CCCC[C@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(F)cc1 ZINC000038088187 174100164 /nfs/dbraw/zinc/10/01/64/174100164.db2.gz GEVAHROGQZMZIW-CJNGLKHVSA-N 1 0 266.404 3.597 10 0 CHAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccc(Br)c1 ZINC000038095381 174108590 /nfs/dbraw/zinc/10/85/90/174108590.db2.gz GTBNZFAIMWAFNX-BXUZGUMPSA-N 1 0 298.224 3.669 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000038095300 174108657 /nfs/dbraw/zinc/10/86/57/174108657.db2.gz CMVKXPNEUXVVCK-SOUVJXGZSA-N 1 0 253.430 3.750 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCCO2)cc1C ZINC000038095893 174109268 /nfs/dbraw/zinc/10/92/68/174109268.db2.gz UJWMFZWANVYEAX-JKSUJKDBSA-N 1 0 261.409 3.832 10 0 CHAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1Br ZINC000038095473 174109300 /nfs/dbraw/zinc/10/93/00/174109300.db2.gz AZHCDGGQGUUMTA-VXGBXAGGSA-N 1 0 298.224 3.669 10 0 CHAERO Cc1occc1[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000038128442 174131671 /nfs/dbraw/zinc/13/16/71/174131671.db2.gz SIGNVMGSHZRGLX-ZDUSSCGKSA-N 1 0 280.165 3.593 10 0 CHAERO CCCC[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000038128392 174131888 /nfs/dbraw/zinc/13/18/88/174131888.db2.gz JNOFOMJZNKEWLW-GFCCVEGCSA-N 1 0 256.187 3.509 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000038134020 174132275 /nfs/dbraw/zinc/13/22/75/174132275.db2.gz XAVMGAXIKWNPBJ-OAHLLOKOSA-N 1 0 265.278 3.607 10 0 CHAERO C[NH+](C)[C@H]1CCc2[nH]c3c(cc(Cl)cc3Cl)c2C1 ZINC000039214030 174166217 /nfs/dbraw/zinc/16/62/17/174166217.db2.gz GFLRNVCGCDQCQA-VIFPVBQESA-N 1 0 283.202 3.894 10 0 CHAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1CCCOCC ZINC000040163839 174196771 /nfs/dbraw/zinc/19/67/71/174196771.db2.gz DQFMULZOFWUMOV-AWEZNQCLSA-N 1 0 289.423 3.653 10 0 CHAERO C[C@H]1CCC[C@H](OC[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000040177338 174202436 /nfs/dbraw/zinc/20/24/36/174202436.db2.gz LPYHLUCXMLVGIY-WBIUFABUSA-N 1 0 269.335 3.560 10 0 CHAERO CCN(c1cccc(C)c1)c1ccc(C[NH3+])cc1C ZINC000040234486 174212005 /nfs/dbraw/zinc/21/20/05/174212005.db2.gz NVGUUXORPIYBPQ-UHFFFAOYSA-N 1 0 254.377 3.920 10 0 CHAERO CC[NH+](CC)CCCn1c2ccccc2nc1C(C)C ZINC000040389523 174252157 /nfs/dbraw/zinc/25/21/57/174252157.db2.gz KLFBFSGWHQKWBR-UHFFFAOYSA-N 1 0 273.424 3.892 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](CC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000041144962 174496118 /nfs/dbraw/zinc/49/61/18/174496118.db2.gz AIZONPBLICUEIX-IOASZLSFSA-N 1 0 281.827 3.741 10 0 CHAERO FC(F)(F)c1ccc2sc(C[C@@H]3CCC[NH2+]3)nc2c1 ZINC000042164020 174647061 /nfs/dbraw/zinc/64/70/61/174647061.db2.gz BEPLVSNKSCATQK-VIFPVBQESA-N 1 0 286.322 3.610 10 0 CHAERO CCCCCO[C@H](c1ccc(F)cc1)[C@H]([NH3+])CC ZINC000042942489 174918690 /nfs/dbraw/zinc/91/86/90/174918690.db2.gz PASJAPJJQSYCPH-HUUCEWRRSA-N 1 0 253.361 3.811 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccc(Cl)cc1 ZINC000042947829 174922887 /nfs/dbraw/zinc/92/28/87/174922887.db2.gz MHIYNCHVGJSDJD-QWRGUYRKSA-N 1 0 281.705 3.697 10 0 CHAERO CCC(C)(C)O[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042949289 174923110 /nfs/dbraw/zinc/92/31/10/174923110.db2.gz GHRYETFJEIUENM-GXFFZTMASA-N 1 0 255.789 3.934 10 0 CHAERO Cc1cccc([C@@H]([C@H](C)N)[NH+]2CCCCCCC2)c1 ZINC000042965844 174929708 /nfs/dbraw/zinc/92/97/08/174929708.db2.gz IXSMOVBOSIYABG-DOTOQJQBSA-N 1 0 260.425 3.649 10 0 CHAERO Cc1cccc([C@@H](Oc2cccc(F)c2)[C@H](C)[NH3+])c1 ZINC000042968191 174932706 /nfs/dbraw/zinc/93/27/06/174932706.db2.gz OZVVJQAALIKQBA-LRDDRELGSA-N 1 0 259.324 3.601 10 0 CHAERO Cc1csc(S[C@H](c2cccc(C)c2)[C@@H](C)[NH3+])n1 ZINC000042969897 174933074 /nfs/dbraw/zinc/93/30/74/174933074.db2.gz PSCKEKZMPAWKSN-YPMHNXCESA-N 1 0 278.446 3.941 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1F)c1cccc(Cl)c1 ZINC000043017310 174943598 /nfs/dbraw/zinc/94/35/98/174943598.db2.gz BBCSKFZLIQPNJE-MEBBXXQBSA-N 1 0 279.742 3.946 10 0 CHAERO COc1cccc([C@@H](SCc2ccco2)[C@@H](C)[NH3+])c1 ZINC000043032350 174949104 /nfs/dbraw/zinc/94/91/04/174949104.db2.gz DRSDQJKEUXODSC-ABAIWWIYSA-N 1 0 277.389 3.610 10 0 CHAERO Cc1ccccc1[C@H]([C@@H](C)N)[NH+]1CCCCCCC1 ZINC000043034228 174949544 /nfs/dbraw/zinc/94/95/44/174949544.db2.gz OOZSJZLDIQDCGS-WBVHZDCISA-N 1 0 260.425 3.649 10 0 CHAERO Cc1ccccc1O[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043038664 174952928 /nfs/dbraw/zinc/95/29/28/174952928.db2.gz GNWCXHJDDJBGGS-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO [NH3+]C[C@@H](Sc1cc(F)ccc1F)c1ccccc1F ZINC000043049974 174958213 /nfs/dbraw/zinc/95/82/13/174958213.db2.gz IINIVMVBMALLMO-CQSZACIVSA-N 1 0 283.318 3.896 10 0 CHAERO CC[C@H]([NH3+])[C@H](c1cccs1)N1CCc2sccc2C1 ZINC000043102304 174968030 /nfs/dbraw/zinc/96/80/30/174968030.db2.gz VUSDXIKZFRCUAZ-SWLSCSKDSA-N 1 0 292.473 3.646 10 0 CHAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000043110990 174973989 /nfs/dbraw/zinc/97/39/89/174973989.db2.gz ALSAFYHGLPDCGH-HKUMRIAESA-N 1 0 253.411 3.732 10 0 CHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1cc(F)ccc1F ZINC000043459039 175050754 /nfs/dbraw/zinc/05/07/54/175050754.db2.gz UGBWZIOMJXHHFT-VXGBXAGGSA-N 1 0 255.352 3.922 10 0 CHAERO CC[NH2+][C@H]1CC(C)(C)Oc2cc(OC(C)C)ccc21 ZINC000043460373 175051186 /nfs/dbraw/zinc/05/11/86/175051186.db2.gz FHSDXXMOQUUGOI-AWEZNQCLSA-N 1 0 263.381 3.686 10 0 CHAERO Oc1ccc(C[NH2+]C2CCCCCC2)cc1Cl ZINC000043477065 175054972 /nfs/dbraw/zinc/05/49/72/175054972.db2.gz ATMVZVUGLJWKHT-UHFFFAOYSA-N 1 0 253.773 3.858 10 0 CHAERO FC(F)(F)c1cnc(SC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000043497403 175058186 /nfs/dbraw/zinc/05/81/86/175058186.db2.gz YCWOKIRFPVJUCW-QMMMGPOBSA-N 1 0 296.745 3.598 10 0 CHAERO C[NH2+][C@H]1CCCCC[C@H]1Cc1cccc(F)c1F ZINC000043650649 175085475 /nfs/dbraw/zinc/08/54/75/175085475.db2.gz VNZQCFDBUIEOTA-FZMZJTMJSA-N 1 0 253.336 3.676 10 0 CHAERO Cc1ccc([C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121713 175143127 /nfs/dbraw/zinc/14/31/27/175143127.db2.gz CIAZBFBNTVVFDO-HLLBOEOZSA-N 1 0 261.409 3.600 10 0 CHAERO CSc1ccc(Oc2cccc(F)c2C[NH3+])cc1 ZINC000044248621 175156378 /nfs/dbraw/zinc/15/63/78/175156378.db2.gz LTMAMJGBVOSLCI-UHFFFAOYSA-N 1 0 263.337 3.799 10 0 CHAERO c1cc(C[NH2+]Cc2ccccc2)n(-c2ccccc2)c1 ZINC000045205871 175327850 /nfs/dbraw/zinc/32/78/50/175327850.db2.gz FIEIHEREBZXWDU-UHFFFAOYSA-N 1 0 262.356 3.767 10 0 CHAERO CCOc1ccc2[nH]c(Nc3ccc(OC)cc3)[nH+]c2c1 ZINC000045918801 175386375 /nfs/dbraw/zinc/38/63/75/175386375.db2.gz VKZPMDNNSSWQPW-UHFFFAOYSA-N 1 0 283.331 3.714 10 0 CHAERO C[C@H]([NH3+])c1csc(-c2ccc(Br)cc2)n1 ZINC000070840409 176008264 /nfs/dbraw/zinc/00/82/64/176008264.db2.gz APMRZTMHLOKPBZ-ZETCQYMHSA-N 1 0 283.194 3.592 10 0 CHAERO C[C@H](c1cccs1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268774 176102438 /nfs/dbraw/zinc/10/24/38/176102438.db2.gz WZZSOIWEIZGHEM-SECBINFHSA-N 1 0 260.337 3.789 10 0 CHAERO CC(C)Oc1ccc(C[NH2+]C2CC2)cc1C(F)(F)F ZINC000071398787 176151885 /nfs/dbraw/zinc/15/18/85/176151885.db2.gz PPXWPNYDTWHRNS-UHFFFAOYSA-N 1 0 273.298 3.745 10 0 CHAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCC1CCCC1 ZINC000071412267 176157541 /nfs/dbraw/zinc/15/75/41/176157541.db2.gz OIIIWERHEZWOQT-MRXNPFEDSA-N 1 0 261.409 3.844 10 0 CHAERO Brc1cccc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000071599572 176224629 /nfs/dbraw/zinc/22/46/29/176224629.db2.gz RHQKOLCJQYQIFS-CYBMUJFWSA-N 1 0 268.198 3.524 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2c1ccccc1C ZINC000071630426 176236139 /nfs/dbraw/zinc/23/61/39/176236139.db2.gz OUUIBOZAVLVJED-GOSISDBHSA-N 1 0 279.383 3.728 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2c1ccccc1C ZINC000071630427 176236229 /nfs/dbraw/zinc/23/62/29/176236229.db2.gz OUUIBOZAVLVJED-SFHVURJKSA-N 1 0 279.383 3.728 10 0 CHAERO COc1cc2c(cc1OC)C(C)(C)C[NH2+][C@H]2C(C)(C)C ZINC000071628369 176236292 /nfs/dbraw/zinc/23/62/92/176236292.db2.gz LEWCNAWAWRGIEX-OAHLLOKOSA-N 1 0 277.408 3.672 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2c1ccc(F)cc1 ZINC000071633481 176237882 /nfs/dbraw/zinc/23/78/82/176237882.db2.gz KQXMOOPIGAPEOB-KRWDZBQOSA-N 1 0 283.346 3.559 10 0 CHAERO CCOc1ccc(NC(=[NH2+])Nc2ccccc2)cc1 ZINC000072807655 176431415 /nfs/dbraw/zinc/43/14/15/176431415.db2.gz OPRUFPOGYYJMSL-UHFFFAOYSA-N 1 0 255.321 3.544 10 0 CHAERO C[C@@H]([NH3+])Cc1ccc(Oc2ccc(F)cc2F)cc1 ZINC000076359473 177001199 /nfs/dbraw/zinc/00/11/99/177001199.db2.gz AUBMKXKDKQYJCA-SNVBAGLBSA-N 1 0 263.287 3.647 10 0 CHAERO COc1ccc(C)cc1C1(C[NH3+])CC2(C1)CCCCC2 ZINC000076419707 177023139 /nfs/dbraw/zinc/02/31/39/177023139.db2.gz KSQFJOFCWGZFNF-UHFFFAOYSA-N 1 0 273.420 3.944 10 0 CHAERO [NH3+]CC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000076654936 177044883 /nfs/dbraw/zinc/04/48/83/177044883.db2.gz DNXPQFKRKNDWFP-CQSZACIVSA-N 1 0 250.345 3.649 10 0 CHAERO CCOc1ccc([C@H](CC[NH3+])C(C)(C)C)cc1F ZINC000076657490 177046498 /nfs/dbraw/zinc/04/64/98/177046498.db2.gz XXNNUEIAZGJGIT-LBPRGKRZSA-N 1 0 253.361 3.703 10 0 CHAERO COc1ccc([C@H](CC[NH3+])CC(C)C)c(Cl)c1 ZINC000076661515 177049213 /nfs/dbraw/zinc/04/92/13/177049213.db2.gz QZJHCTMMJPEPIS-LLVKDONJSA-N 1 0 255.789 3.827 10 0 CHAERO [NH3+]CC[C@H](CCc1ccc(F)cc1)c1ccccc1 ZINC000076664561 177050374 /nfs/dbraw/zinc/05/03/74/177050374.db2.gz JUOJJTVCDRLZOX-INIZCTEOSA-N 1 0 257.352 3.891 10 0 CHAERO C[C@@H](c1ccccc1)[N@H+](CCN)CC1CCCCC1 ZINC000076671511 177053864 /nfs/dbraw/zinc/05/38/64/177053864.db2.gz ZSSYZPQOTOOIPI-HNNXBMFYSA-N 1 0 260.425 3.589 10 0 CHAERO Cc1ccc(OCC[C@@H](C[NH3+])c2cccs2)cc1 ZINC000076672997 177054542 /nfs/dbraw/zinc/05/45/42/177054542.db2.gz QWMBXDCWMXLCOZ-ZDUSSCGKSA-N 1 0 261.390 3.568 10 0 CHAERO CCCOc1ccc([C@@H](C[NH3+])c2cccs2)cc1 ZINC000076673012 177054778 /nfs/dbraw/zinc/05/47/78/177054778.db2.gz HXILRDGWYKLYOS-CQSZACIVSA-N 1 0 261.390 3.628 10 0 CHAERO CCCC[C@@H](CC)C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037219620 260075315 /nfs/dbraw/zinc/07/53/15/260075315.db2.gz YFBJQFMMDBSJOZ-GDBMZVCRSA-N 1 0 288.435 3.900 10 0 CHAERO [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000070148758 260152762 /nfs/dbraw/zinc/15/27/62/260152762.db2.gz ODCYCXGCNUMCMO-QGZVFWFLSA-N 1 0 268.404 3.543 10 0 CHAERO Cc1cccc(CC[C@@H](C)[NH2+]Cc2ncccc2C)c1 ZINC000071339977 260161843 /nfs/dbraw/zinc/16/18/43/260161843.db2.gz BOSWHVWOSDFHCF-MRXNPFEDSA-N 1 0 268.404 3.809 10 0 CHAERO COc1ccccc1C1CC([NH2+][C@H](C)c2nccs2)C1 ZINC000080265136 260178657 /nfs/dbraw/zinc/17/86/57/260178657.db2.gz FLTJVOAYZOCLAM-PNESKVBLSA-N 1 0 288.416 3.749 10 0 CHAERO CC1CCC(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000312686897 260190929 /nfs/dbraw/zinc/19/09/29/260190929.db2.gz DRHJTAIAJYKOKY-ILEACXBISA-N 1 0 279.468 3.828 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(OC)cc2)c1 ZINC000091016045 260264783 /nfs/dbraw/zinc/26/47/83/260264783.db2.gz OLYCERGRZVFGGX-AWEZNQCLSA-N 1 0 272.392 3.758 10 0 CHAERO CCCn1ccc(C[NH2+]CCCOC2CCCCC2)c1 ZINC000091009945 260264808 /nfs/dbraw/zinc/26/48/08/260264808.db2.gz ISGVMZWUEOGTQM-UHFFFAOYSA-N 1 0 278.440 3.727 10 0 CHAERO CCn1cccc1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000091127716 260265291 /nfs/dbraw/zinc/26/52/91/260265291.db2.gz CTPRFBAQBBNIGT-UHFFFAOYSA-N 1 0 282.309 3.817 10 0 CHAERO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC000040502238 260285176 /nfs/dbraw/zinc/28/51/76/260285176.db2.gz HAHHIUWJYSAUQH-JKSUJKDBSA-N 1 0 280.843 3.865 10 0 CHAERO Cc1cc(CN[C@H]2CC[C@H](C)c3ccccc32)no1 ZINC000211744744 260310485 /nfs/dbraw/zinc/31/04/85/260310485.db2.gz KOYZWFBJRCVYOW-ZBEGNZNMSA-N 1 0 256.349 3.711 10 0 CHAERO COc1ccc(Br)c(C[NH2+][C@H](C)C(C)C)c1 ZINC000083702910 260355023 /nfs/dbraw/zinc/35/50/23/260355023.db2.gz SJBUOUXNJNELDT-SNVBAGLBSA-N 1 0 286.213 3.592 10 0 CHAERO CSCC1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449301332 260379512 /nfs/dbraw/zinc/37/95/12/260379512.db2.gz GZFQDFPDNMOICL-NOZYUVCASA-N 1 0 285.497 3.701 10 0 CHAERO CSc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1F ZINC000152875188 261070691 /nfs/dbraw/zinc/07/06/91/261070691.db2.gz IEBGEEGILPPENN-WDMOLILDSA-N 1 0 283.412 3.766 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(-c2ccncc2)c1 ZINC000152945047 261071908 /nfs/dbraw/zinc/07/19/08/261071908.db2.gz UHOXZHSYBVHBBC-DOXZYTNZSA-N 1 0 296.414 3.967 10 0 CHAERO Cc1cccc([C@H](C)[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000173693790 261168119 /nfs/dbraw/zinc/16/81/19/261168119.db2.gz BTEFOZBNMXHYIJ-INIZCTEOSA-N 1 0 283.419 3.665 10 0 CHAERO CCC(CC)C[N@H+](CC)Cc1nc(-c2ccoc2)no1 ZINC000105717501 261315580 /nfs/dbraw/zinc/31/55/80/261315580.db2.gz SHJVITBFTXOQSW-UHFFFAOYSA-N 1 0 277.368 3.588 10 0 CHAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000173703329 261542432 /nfs/dbraw/zinc/54/24/32/261542432.db2.gz LXUIIWSXMQZLHT-OAHLLOKOSA-N 1 0 298.434 3.547 10 0 CHAERO COCCC[C@@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000178484437 261745240 /nfs/dbraw/zinc/74/52/40/261745240.db2.gz XHLFLDLMSKAZIO-HIFRSBDPSA-N 1 0 277.408 3.694 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000390579543 262221892 /nfs/dbraw/zinc/22/18/92/262221892.db2.gz YHLXEHPJSKSPGE-HOTGVXAUSA-N 1 0 299.414 3.518 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000390576117 262222169 /nfs/dbraw/zinc/22/21/69/262222169.db2.gz FQOZRVCAMQTQIH-CVEARBPZSA-N 1 0 269.388 3.943 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCCC[C@H]1C ZINC000390581728 262222947 /nfs/dbraw/zinc/22/29/47/262222947.db2.gz JEGONTORZXKQAX-INMHGKMJSA-N 1 0 261.409 3.760 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000390581727 262223189 /nfs/dbraw/zinc/22/31/89/262223189.db2.gz JEGONTORZXKQAX-BFYDXBDKSA-N 1 0 261.409 3.760 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000222155101 262289297 /nfs/dbraw/zinc/28/92/97/262289297.db2.gz DKODTWZHVACREC-NWANDNLSSA-N 1 0 275.392 3.687 10 0 CHAERO CC[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccs1 ZINC000185355050 262304004 /nfs/dbraw/zinc/30/40/04/262304004.db2.gz NVGWEEBBYUXSTG-ZDUSSCGKSA-N 1 0 294.464 3.615 10 0 CHAERO COc1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290367 267136219 /nfs/dbraw/zinc/13/62/19/267136219.db2.gz FTSKCEWUOBSPCC-CQSZACIVSA-N 1 0 287.359 3.504 10 0 CHAERO COc1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116290369 267138191 /nfs/dbraw/zinc/13/81/91/267138191.db2.gz FTSKCEWUOBSPCC-AWEZNQCLSA-N 1 0 287.359 3.504 10 0 CHAERO C[C@H]([NH2+]C1(C)CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156965861 327739222 /nfs/dbraw/zinc/73/92/22/327739222.db2.gz RIFXITMZVKSFDU-KBPBESRZSA-N 1 0 296.455 3.554 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)cc1OC ZINC000397621350 327866950 /nfs/dbraw/zinc/86/69/50/327866950.db2.gz LIDJGVJLZPLAQY-SGMGOOAPSA-N 1 0 277.408 3.789 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000221575493 327912408 /nfs/dbraw/zinc/91/24/08/327912408.db2.gz QMXUTSHGESGUQP-PMPSAXMXSA-N 1 0 269.473 3.836 10 0 CHAERO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000040773650 328017988 /nfs/dbraw/zinc/01/79/88/328017988.db2.gz KMGVEAGYJHXZDK-GDBMZVCRSA-N 1 0 271.404 3.897 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000110820704 328314315 /nfs/dbraw/zinc/31/43/15/328314315.db2.gz ICLZTXUUZLBBGK-BMIGLBTASA-N 1 0 294.236 3.695 10 0 CHAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCCC12CCC2 ZINC000394820622 326825042 /nfs/dbraw/zinc/82/50/42/326825042.db2.gz PFTRJNKNOSOFIS-GDBMZVCRSA-N 1 0 257.377 3.823 10 0 CHAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000037621924 326858028 /nfs/dbraw/zinc/85/80/28/326858028.db2.gz AZEWVYBRVYDSGD-KSSFIOAISA-N 1 0 290.451 3.580 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCOC1)c1c(Cl)ccc(F)c1Cl ZINC000109543508 326858375 /nfs/dbraw/zinc/85/83/75/326858375.db2.gz JEMHKUOHDASMNE-RKDXNWHRSA-N 1 0 292.181 3.962 10 0 CHAERO CC[C@H]([NH2+]Cc1nn(CC)c2ccccc12)C(C)C ZINC000089174218 326862491 /nfs/dbraw/zinc/86/24/91/326862491.db2.gz FQVLPPSUNDQOCD-AWEZNQCLSA-N 1 0 259.397 3.580 10 0 CHAERO Cc1cc(Cl)cc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000559303952 327157298 /nfs/dbraw/zinc/15/72/98/327157298.db2.gz NBTXHTVNECSXSP-STQMWFEESA-N 1 0 281.827 3.942 10 0 CHAERO Cc1ccc([C@H]([NH2+]CCCO)c2ccccc2Cl)cc1 ZINC000124593450 327223349 /nfs/dbraw/zinc/22/33/49/327223349.db2.gz QRIDOUJTCSOYIB-KRWDZBQOSA-N 1 0 289.806 3.710 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000300239306 332804165 /nfs/dbraw/zinc/80/41/65/332804165.db2.gz WPTKVJXKNQHBRN-FHLIZLRMSA-N 1 0 275.436 3.729 10 0 CHAERO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]CC1CCOCC1 ZINC000052178181 327567911 /nfs/dbraw/zinc/56/79/11/327567911.db2.gz PJDOVORUDKMDOM-HNNXBMFYSA-N 1 0 277.408 3.618 10 0 CHAERO C[C@H]1C[C@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000052273322 328641893 /nfs/dbraw/zinc/64/18/93/328641893.db2.gz YAUWDYMQGCDZAE-IEXPGBGJSA-N 1 0 280.209 3.693 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1Br ZINC000052274074 328642050 /nfs/dbraw/zinc/64/20/50/328642050.db2.gz HOZVIOYVUAXIER-VDDIYKPWSA-N 1 0 284.197 3.517 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1csc2ccccc12 ZINC000054463478 328693421 /nfs/dbraw/zinc/69/34/21/328693421.db2.gz MXNUQVPGKFVZHI-OAHLLOKOSA-N 1 0 290.476 3.967 10 0 CHAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1C(C)C ZINC000043230596 328776887 /nfs/dbraw/zinc/77/68/87/328776887.db2.gz CDICODVDSGGHFQ-AWEZNQCLSA-N 1 0 291.439 3.662 10 0 CHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000171523017 329076944 /nfs/dbraw/zinc/07/69/44/329076944.db2.gz VLPWZVUGEHQTOT-KRWDZBQOSA-N 1 0 283.419 3.591 10 0 CHAERO Cc1cnn([C@H]2CCCN(Cc3ccc(Cl)s3)C2)c1 ZINC000171532308 329077250 /nfs/dbraw/zinc/07/72/50/329077250.db2.gz ISRUSAZXQSYPJR-LBPRGKRZSA-N 1 0 295.839 3.744 10 0 CHAERO Cc1csc([C@@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)n1 ZINC000171735755 329079748 /nfs/dbraw/zinc/07/97/48/329079748.db2.gz IZUMZDUNEAHKDB-KGLIPLIRSA-N 1 0 262.422 3.740 10 0 CHAERO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172029953 329083495 /nfs/dbraw/zinc/08/34/95/329083495.db2.gz KPTKCZQSTQZYKT-QGZVFWFLSA-N 1 0 293.370 3.868 10 0 CHAERO CC(C)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000172271971 329084343 /nfs/dbraw/zinc/08/43/43/329084343.db2.gz KBTLLNWTFIRRRB-SFHVURJKSA-N 1 0 299.418 3.924 10 0 CHAERO Cc1cccc([C@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000173606031 329149825 /nfs/dbraw/zinc/14/98/25/329149825.db2.gz DNEBHZKUMWPYEW-AWEZNQCLSA-N 1 0 269.392 3.659 10 0 CHAERO C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173656173 329150222 /nfs/dbraw/zinc/15/02/22/329150222.db2.gz ZAUGASWBRCFINN-MAUKXSAKSA-N 1 0 283.419 3.578 10 0 CHAERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cccc(F)c1 ZINC000173817951 329152546 /nfs/dbraw/zinc/15/25/46/329152546.db2.gz HQYGDVBYNALBCY-BLLLJJGKSA-N 1 0 298.361 3.602 10 0 CHAERO CCCCCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000149450954 329176748 /nfs/dbraw/zinc/17/67/48/329176748.db2.gz JDURRBDWXUPXBF-WMLDXEAASA-N 1 0 277.408 3.523 10 0 CHAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000178534782 329198291 /nfs/dbraw/zinc/19/82/91/329198291.db2.gz JFZCQGSGDFXOFI-MRXNPFEDSA-N 1 0 281.359 3.883 10 0 CHAERO c1ccc2oc([C@H]3CCC[N@@H+](C4CCC4)C3)nc2c1 ZINC000178999929 329203589 /nfs/dbraw/zinc/20/35/89/329203589.db2.gz NHUWILIVEVTWDY-LBPRGKRZSA-N 1 0 256.349 3.560 10 0 CHAERO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccco2)c(C(C)(C)C)n1 ZINC000180193676 329218372 /nfs/dbraw/zinc/21/83/72/329218372.db2.gz SAHKBLMRBHEWBV-AWEZNQCLSA-N 1 0 287.407 3.648 10 0 CHAERO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000184529463 329259722 /nfs/dbraw/zinc/25/97/22/329259722.db2.gz YKHCPTATALDOLE-LQYUOIDQSA-N 1 0 261.413 3.530 10 0 CHAERO ClC(Cl)(Cl)CCN1CCC[C@H]1c1ccncc1 ZINC000184696438 329262029 /nfs/dbraw/zinc/26/20/29/329262029.db2.gz SRILZJXWANAJCA-NSHDSACASA-N 1 0 293.625 3.979 10 0 CHAERO CCC[C@@H](C)C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185864465 329333768 /nfs/dbraw/zinc/33/37/68/329333768.db2.gz SYBOGQWMYKULMO-CQSZACIVSA-N 1 0 269.392 3.669 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC(C)(C)CC)c1C ZINC000234192059 329415553 /nfs/dbraw/zinc/41/55/53/329415553.db2.gz NWQBWDQVCHFVQP-NSHDSACASA-N 1 0 251.418 3.607 10 0 CHAERO C[C@@H]([NH2+]Cc1cncnc1)c1ccc(Cl)c(Cl)c1 ZINC000054767064 329672292 /nfs/dbraw/zinc/67/22/92/329672292.db2.gz RZRRPWRNXMZCOR-SECBINFHSA-N 1 0 282.174 3.634 10 0 CHAERO c1cc2c(cccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[nH]1 ZINC000246502963 329865664 /nfs/dbraw/zinc/86/56/64/329865664.db2.gz KFSPEWFDJXRJBF-CGTJXYLNSA-N 1 0 296.414 3.605 10 0 CHAERO CCCCCC[C@](C)(CC)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248615161 329895912 /nfs/dbraw/zinc/89/59/12/329895912.db2.gz LUAVIAQDZUTSGM-LHHMISFZSA-N 1 0 294.483 3.569 10 0 CHAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000249024508 329903806 /nfs/dbraw/zinc/90/38/06/329903806.db2.gz KRLHSJABCCYNOE-UMVBOHGHSA-N 1 0 293.382 3.585 10 0 CHAERO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000249954951 329912424 /nfs/dbraw/zinc/91/24/24/329912424.db2.gz JBLAOVBZAKLHMI-GBESFXJTSA-N 1 0 287.447 3.801 10 0 CHAERO CC1(C)CN(Cc2csc(Cl)c2Cl)CC[C@H]1[NH3+] ZINC000261648439 329974547 /nfs/dbraw/zinc/97/45/47/329974547.db2.gz AXFYSMVMIGPKIK-SECBINFHSA-N 1 0 293.263 3.614 10 0 CHAERO COc1ccccc1/C=C/C[NH2+][C@H](C)c1cccc(O)c1 ZINC000105461280 330326539 /nfs/dbraw/zinc/32/65/39/330326539.db2.gz YPCKUTDFZTWHMV-VIIAAUOXSA-N 1 0 283.371 3.765 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000105689676 330327965 /nfs/dbraw/zinc/32/79/65/330327965.db2.gz CYDNTOHBKOJUAA-IEBWSBKVSA-N 1 0 281.399 3.853 10 0 CHAERO C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000044674278 330331635 /nfs/dbraw/zinc/33/16/35/330331635.db2.gz RSFBIAQLMJXORA-JLZZUVOBSA-N 1 0 253.345 3.599 10 0 CHAERO CC[C@H]1CC[C@@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000080428975 330355681 /nfs/dbraw/zinc/35/56/81/330355681.db2.gz UHTLKYHMRUULGN-LSDHHAIUSA-N 1 0 253.430 3.894 10 0 CHAERO CC(C)[C@H]1CCC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC000086946961 330371358 /nfs/dbraw/zinc/37/13/58/330371358.db2.gz FYLLQUPGFVBOEK-HOTGVXAUSA-N 1 0 253.430 3.608 10 0 CHAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000087765529 330374267 /nfs/dbraw/zinc/37/42/67/330374267.db2.gz BRQZTGQGCKQSBM-ZDUSSCGKSA-N 1 0 288.218 3.730 10 0 CHAERO [NH3+]CCc1cccc(-c2ccccc2OC(F)(F)F)c1 ZINC000382643739 330382014 /nfs/dbraw/zinc/38/20/14/330382014.db2.gz ZIWAFEBPTHMRND-UHFFFAOYSA-N 1 0 281.277 3.753 10 0 CHAERO CCn1cc(C2CC[NH+](Cc3cccc(C)c3C)CC2)cn1 ZINC000092809224 330413993 /nfs/dbraw/zinc/41/39/93/330413993.db2.gz CBWLPACBTPMBMJ-UHFFFAOYSA-N 1 0 297.446 3.899 10 0 CHAERO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cc(C)ccc1OC ZINC000093397135 330420241 /nfs/dbraw/zinc/42/02/41/330420241.db2.gz LJBWSNLKPRFBRH-KBMXLJTQSA-N 1 0 277.408 3.612 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c(C)c1 ZINC000153795146 330649122 /nfs/dbraw/zinc/64/91/22/330649122.db2.gz WOCQLRIAWOCOSV-UXLLHSPISA-N 1 0 261.409 3.505 10 0 CHAERO CC(C)[C@H](C)[NH2+]Cc1cccc(F)c1Br ZINC000156691854 330744350 /nfs/dbraw/zinc/74/43/50/330744350.db2.gz KPZFOQIFUKEADW-VIFPVBQESA-N 1 0 274.177 3.722 10 0 CHAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)CC2 ZINC000163848414 331134583 /nfs/dbraw/zinc/13/45/83/331134583.db2.gz XNHDAEWMODBXKS-VQTJNVASSA-N 1 0 294.442 3.875 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1F)CC2 ZINC000163948686 331141577 /nfs/dbraw/zinc/14/15/77/331141577.db2.gz WQJUWBWUKRXMEN-CZUORRHYSA-N 1 0 297.801 3.606 10 0 CHAERO C[C@H]1CC(C[NH2+]CCc2cccc(Cl)c2)C[C@H](C)O1 ZINC000459541859 331286757 /nfs/dbraw/zinc/28/67/57/331286757.db2.gz NERXDZNPXHQVRV-STQMWFEESA-N 1 0 281.827 3.676 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1C ZINC000164895963 331305281 /nfs/dbraw/zinc/30/52/81/331305281.db2.gz OCMIGGROQMUDMA-BXUZGUMPSA-N 1 0 263.429 3.749 10 0 CHAERO COc1ccccc1C1CC([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000165265715 331306016 /nfs/dbraw/zinc/30/60/16/331306016.db2.gz HHKZPQXBNFZGDT-HSBZDZAISA-N 1 0 261.409 3.965 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(Cl)c2cccnc12)[C@@H]1CCCO1 ZINC000166402969 331307223 /nfs/dbraw/zinc/30/72/23/331307223.db2.gz GZZKKHPDMLLXGN-NHYWBVRUSA-N 1 0 290.794 3.545 10 0 CHAERO CCC1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000466424129 331396469 /nfs/dbraw/zinc/39/64/69/331396469.db2.gz GEDIAMANYCXYCR-QCROOJIWSA-N 1 0 253.430 3.748 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000467435861 331419204 /nfs/dbraw/zinc/41/92/04/331419204.db2.gz LFOVAFTTXCOKAL-SUNYJGFJSA-N 1 0 273.420 3.776 10 0 CHAERO CC(C)CCC[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000467446138 331419904 /nfs/dbraw/zinc/41/99/04/331419904.db2.gz CXLWTJDGOZDMRF-RRFJBIMHSA-N 1 0 255.446 3.994 10 0 CHAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000309082065 332950815 /nfs/dbraw/zinc/95/08/15/332950815.db2.gz RDJPFHLNRPRUBG-NQMVMOMDSA-N 1 0 261.843 3.946 10 0 CHAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000178064080 333067376 /nfs/dbraw/zinc/06/73/76/333067376.db2.gz NJTBAPWOCFPDHZ-CVEARBPZSA-N 1 0 299.414 3.951 10 0 CHAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000311901568 333074244 /nfs/dbraw/zinc/07/42/44/333074244.db2.gz YFSVWBGZTMFSLP-YESZJQIVSA-N 1 0 265.441 3.582 10 0 CHAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178704081 333076877 /nfs/dbraw/zinc/07/68/77/333076877.db2.gz AIUBQZJUZUBKTQ-SUYBPPKGSA-N 1 0 295.373 3.653 10 0 CHAERO CCCCCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089164467 333095226 /nfs/dbraw/zinc/09/52/26/333095226.db2.gz LXZNEGUMWBDDAB-SJLPKXTDSA-N 1 0 291.435 3.506 10 0 CHAERO Cc1cncc([C@H](C)[NH2+][C@H](C)COCc2ccccc2)c1 ZINC000184371193 333127912 /nfs/dbraw/zinc/12/79/12/333127912.db2.gz JWOVDHVAUZBFOI-CVEARBPZSA-N 1 0 284.403 3.646 10 0 CHAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000219006294 333140125 /nfs/dbraw/zinc/14/01/25/333140125.db2.gz CULPMWJEEYMKHU-DOTOQJQBSA-N 1 0 275.436 3.625 10 0 CHAERO COc1ccsc1[C@@H](C)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000186228116 333156819 /nfs/dbraw/zinc/15/68/19/333156819.db2.gz YPZDXXIKEVHFCW-ZIAGYGMSSA-N 1 0 296.480 3.528 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]CC[C@@H](C)c2ccccc2)o1 ZINC000220931511 333170893 /nfs/dbraw/zinc/17/08/93/333170893.db2.gz QDMPCRZXIIZRBC-TZMCWYRMSA-N 1 0 258.365 3.827 10 0 CHAERO CCN(CC)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000223399579 333207552 /nfs/dbraw/zinc/20/75/52/333207552.db2.gz HUDLQVBNAPXDHT-QLFBSQMISA-N 1 0 254.462 3.521 10 0 CHAERO CCOC1CC([NH2+][C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000224442139 333220907 /nfs/dbraw/zinc/22/09/07/333220907.db2.gz IVKRBQHTMMZZPS-WNZJFKNXSA-N 1 0 259.393 3.782 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000224984025 333228157 /nfs/dbraw/zinc/22/81/57/333228157.db2.gz GCEKWJGGOLWWGW-OLZOCXBDSA-N 1 0 284.394 3.592 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C(C)C)c2)c(C)c1 ZINC000226241752 333254833 /nfs/dbraw/zinc/25/48/33/333254833.db2.gz OPJSNIFJMCGMJM-HNNXBMFYSA-N 1 0 271.408 3.932 10 0 CHAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000226708760 333268015 /nfs/dbraw/zinc/26/80/15/333268015.db2.gz PKKBRFMKNLASTE-CMPLNLGQSA-N 1 0 287.234 3.738 10 0 CHAERO CC(C)c1ccc(CN2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000227024360 333273782 /nfs/dbraw/zinc/27/37/82/333273782.db2.gz WTRXIRWWFMDUKU-WMLDXEAASA-N 1 0 260.425 3.512 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)C1 ZINC000227188498 333277826 /nfs/dbraw/zinc/27/78/26/333277826.db2.gz YTPRATPLXXRGFP-HZSPNIEDSA-N 1 0 266.454 3.519 10 0 CHAERO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231528587 333325876 /nfs/dbraw/zinc/32/58/76/333325876.db2.gz QPJZRLIJHDSSOH-ZFWWWQNUSA-N 1 0 258.365 3.655 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235280063 333367076 /nfs/dbraw/zinc/36/70/76/333367076.db2.gz UETPPFCNJRPDSA-RDDDGLTNSA-N 1 0 274.589 3.601 10 0 CHAERO Cc1nocc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000339175868 335142109 /nfs/dbraw/zinc/14/21/09/335142109.db2.gz ISAXBBPSQDODAI-ORVZXPRGSA-N 1 0 274.408 3.678 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000069862267 333794102 /nfs/dbraw/zinc/79/41/02/333794102.db2.gz HLAYMYICNXLWDC-GUBZILKMSA-N 1 0 259.802 3.620 10 0 CHAERO Cc1oncc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000129919792 333799424 /nfs/dbraw/zinc/79/94/24/333799424.db2.gz BQTBXJITEAXDSD-MRXNPFEDSA-N 1 0 270.376 3.786 10 0 CHAERO CCCCCN(CCCCC)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070576434 333817504 /nfs/dbraw/zinc/81/75/04/333817504.db2.gz MHKHYKZRPSBHOX-JKSUJKDBSA-N 1 0 282.472 3.713 10 0 CHAERO CCc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000545960115 334009104 /nfs/dbraw/zinc/00/91/04/334009104.db2.gz RRBMEDWWZRWALZ-CLLJXQQHSA-N 1 0 267.438 3.604 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)c1 ZINC000134117284 334080862 /nfs/dbraw/zinc/08/08/62/334080862.db2.gz OHSIRZZSUQTHAP-STQMWFEESA-N 1 0 258.340 3.941 10 0 CHAERO CSc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000245463640 334195345 /nfs/dbraw/zinc/19/53/45/334195345.db2.gz OWRYDOSBRYGNFE-NOLJZWGESA-N 1 0 279.449 3.610 10 0 CHAERO Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c2ccccc2n1 ZINC000246465133 334258942 /nfs/dbraw/zinc/25/89/42/334258942.db2.gz ZCRPDMRDFQKDGN-RTBURBONSA-N 1 0 296.414 3.687 10 0 CHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000246867006 334270967 /nfs/dbraw/zinc/27/09/67/334270967.db2.gz DESFNHZHPOCXIO-SGMGOOAPSA-N 1 0 299.361 3.815 10 0 CHAERO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248130019 334295405 /nfs/dbraw/zinc/29/54/05/334295405.db2.gz OICYNJLSJIXJRK-KSZLIROESA-N 1 0 273.420 3.765 10 0 CHAERO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248163783 334296212 /nfs/dbraw/zinc/29/62/12/334296212.db2.gz SPBZVUQUJGWHQE-XYJFISCASA-N 1 0 273.420 3.683 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)C[C@H](C)CC)C12CCOCC2 ZINC000248624811 334309610 /nfs/dbraw/zinc/30/96/10/334309610.db2.gz CTGHEKPOOAOLKY-LTIDMASMSA-N 1 0 297.483 3.765 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C12CCOCC2 ZINC000248632718 334310103 /nfs/dbraw/zinc/31/01/03/334310103.db2.gz IKXJAKZZZQMZCH-HRCADAONSA-N 1 0 295.467 3.519 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCC(C)(C)C)C12CCOCC2 ZINC000248975624 334323434 /nfs/dbraw/zinc/32/34/34/334323434.db2.gz HNEUQPKBKQQWLG-OWCLPIDISA-N 1 0 297.483 3.765 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccco2)CC(C)(C)C1 ZINC000249027662 334325084 /nfs/dbraw/zinc/32/50/84/334325084.db2.gz RYLQSWXBWPNYTE-HZSPNIEDSA-N 1 0 265.397 3.508 10 0 CHAERO C[C@H]([NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000249203633 334330158 /nfs/dbraw/zinc/33/01/58/334330158.db2.gz UZUUGPDJXQMYPW-HPBDAGMYSA-N 1 0 273.420 3.654 10 0 CHAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000249237725 334330412 /nfs/dbraw/zinc/33/04/12/334330412.db2.gz NXMOBWVBWYGFSW-ZNMIVQPWSA-N 1 0 298.430 3.794 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000249910459 334341928 /nfs/dbraw/zinc/34/19/28/334341928.db2.gz VZYIWYKUZYFDHK-YWVKMMECSA-N 1 0 252.427 3.808 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CC(=O)N(C)c3ccccc32)C[C@@H]1C ZINC000251751748 334368881 /nfs/dbraw/zinc/36/88/81/334368881.db2.gz JUCQQDGOHRARGQ-HOSILWTGSA-N 1 0 286.419 3.509 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000252431449 334379654 /nfs/dbraw/zinc/37/96/54/334379654.db2.gz JJXLYOKREHDXPW-XOKHGSTOSA-N 1 0 277.456 3.701 10 0 CHAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2ccccc21 ZINC000252673119 334384756 /nfs/dbraw/zinc/38/47/56/334384756.db2.gz GJIRDZASNGGNPO-YJBOKZPZSA-N 1 0 280.415 3.508 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000581082102 336006333 /nfs/dbraw/zinc/00/63/33/336006333.db2.gz HLLCQVAJWXEYQG-CWSCBRNRSA-N 1 0 283.213 3.683 10 0 CHAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(Cl)cn1 ZINC000381096898 336049840 /nfs/dbraw/zinc/04/98/40/336049840.db2.gz YLONMPKXWCALBV-ZDUSSCGKSA-N 1 0 289.810 3.667 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000054597689 519745368 /nfs/dbraw/zinc/74/53/68/519745368.db2.gz DIJGSIPPFFTXPG-JSGCOSHPSA-N 1 0 269.335 3.637 10 0 CHAERO CCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(OC(C)C)cc1 ZINC000054593458 519940408 /nfs/dbraw/zinc/94/04/08/519940408.db2.gz HQOWEGKAVOABQY-NVXWUHKLSA-N 1 0 261.409 3.751 10 0 CHAERO CCC[NH2+]Cc1sc(N(C)[C@H](C)CC(C)C)nc1C ZINC000055001537 519975863 /nfs/dbraw/zinc/97/58/63/519975863.db2.gz RWUHCAGZLPLQRV-GFCCVEGCSA-N 1 0 283.485 3.822 10 0 CHAERO CC[NH2+]Cc1ccc(CO[C@H]2CCC[C@@H](C)C2)cc1 ZINC000052632098 519998051 /nfs/dbraw/zinc/99/80/51/519998051.db2.gz NRLFOUHJBNIKAP-PBHICJAKSA-N 1 0 261.409 3.891 10 0 CHAERO CC[NH2+]Cc1sc(N(CC)c2ccccc2)nc1C ZINC000054968993 520033129 /nfs/dbraw/zinc/03/31/29/520033129.db2.gz NOKVZZLXZHOOEE-UHFFFAOYSA-N 1 0 275.421 3.719 10 0 CHAERO CCOCC[C@@H](C[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC000052977764 520062353 /nfs/dbraw/zinc/06/23/53/520062353.db2.gz LLIQDGTVEVPXDI-OAHLLOKOSA-N 1 0 283.843 3.923 10 0 CHAERO CCC[NH2+][C@H]1CCCc2nc(N(C)[C@@H](C)CC)sc21 ZINC000054902734 520094283 /nfs/dbraw/zinc/09/42/83/520094283.db2.gz QYXMMJOSEZGTOR-RYUDHWBXSA-N 1 0 281.469 3.755 10 0 CHAERO CC[NH2+][C@@H](CCc1cc(C)ccc1OC)C(C)(C)C ZINC000050705560 520096363 /nfs/dbraw/zinc/09/63/63/520096363.db2.gz VCWOGEBYBJRPDS-INIZCTEOSA-N 1 0 263.425 3.960 10 0 CHAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1Oc1ccccc1 ZINC000054556293 520123216 /nfs/dbraw/zinc/12/32/16/520123216.db2.gz UNBJIQLVIHETCK-UAGQMJEPSA-N 1 0 261.409 3.868 10 0 CHAERO CC[NH2+][C@H](CCCc1ccccc1)CC(F)(F)F ZINC000053832589 520185313 /nfs/dbraw/zinc/18/53/13/520185313.db2.gz DQERTCXAWHGVOM-CYBMUJFWSA-N 1 0 259.315 3.940 10 0 CHAERO CC[NH2+][C@H]1CC(C)(C)Cc2nc(C(C)C)sc21 ZINC000050331360 520211998 /nfs/dbraw/zinc/21/19/98/520211998.db2.gz XVYARJBNTSOCEO-JTQLQIEISA-N 1 0 252.427 3.890 10 0 CHAERO CCC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054559052 521035781 /nfs/dbraw/zinc/03/57/81/521035781.db2.gz CSOBRFAUGLCCJN-ZNMIVQPWSA-N 1 0 253.430 3.748 10 0 CHAERO CCC[C@](C)(CCOCCC(C)C)C[NH2+]C1CC1 ZINC000054657143 521266991 /nfs/dbraw/zinc/26/69/91/521266991.db2.gz QXWMUTGOYTVDHE-MRXNPFEDSA-N 1 0 255.446 3.998 10 0 CHAERO CC[C@@H](C)COc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC ZINC000050427396 522001268 /nfs/dbraw/zinc/00/12/68/522001268.db2.gz AIJPJEAGAALGQC-GHMZBOCLSA-N 1 0 285.815 3.663 10 0 CHAERO C[NH2+]Cc1c(Cl)cccc1N1CCC(C)(C)CC1 ZINC000061820850 522101114 /nfs/dbraw/zinc/10/11/14/522101114.db2.gz FFTOXXWWSVNYDL-UHFFFAOYSA-N 1 0 266.816 3.686 10 0 CHAERO CC[C@@H](C[NH2+]CC(C)C)Oc1ccc2c(c1)CCC2 ZINC000052693270 522547459 /nfs/dbraw/zinc/54/74/59/522547459.db2.gz QSDMHORJOIXHLW-INIZCTEOSA-N 1 0 261.409 3.578 10 0 CHAERO CC(C)(C)[NH2+]CCCc1cccc(Br)c1 ZINC000052949490 518754805 /nfs/dbraw/zinc/75/48/05/518754805.db2.gz LBBCALCKSHLBTM-UHFFFAOYSA-N 1 0 270.214 3.770 10 0 CHAERO CC(C)(C)[NH2+]CCCc1cc(Br)cs1 ZINC000052949538 518755601 /nfs/dbraw/zinc/75/56/01/518755601.db2.gz PVEWHJYHEALXPN-UHFFFAOYSA-N 1 0 276.243 3.831 10 0 CHAERO CC(C)(C)[C@H]1CCc2nc(C[C@H]3CCC[NH2+]3)sc2C1 ZINC000053252768 518979136 /nfs/dbraw/zinc/97/91/36/518979136.db2.gz WJAPUEOLJAARDA-NWDGAFQWSA-N 1 0 278.465 3.589 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1Cc1c(F)cccc1Cl ZINC000062712334 519274592 /nfs/dbraw/zinc/27/45/92/519274592.db2.gz GBGTUWGDOOAAGB-CHWSQXEVSA-N 1 0 298.833 3.688 10 0 CHAERO CC(C)C[C@H](C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000052968560 519351506 /nfs/dbraw/zinc/35/15/06/519351506.db2.gz BQAGKTUUHLSUCL-LBPRGKRZSA-N 1 0 267.363 3.922 10 0 CHAERO CC(C)C1CCC(C[NH3+])(OCc2ccccc2)CC1 ZINC000050488120 519560516 /nfs/dbraw/zinc/56/05/16/519560516.db2.gz HHSFVTCQQJQVCX-UHFFFAOYSA-N 1 0 261.409 3.747 10 0 CHAERO CC(C)CN(c1ncc(C[NH2+]C(C)(C)C)s1)C(C)C ZINC000054909030 519719145 /nfs/dbraw/zinc/71/91/45/519719145.db2.gz UGTSHXIKSHTZQU-UHFFFAOYSA-N 1 0 283.485 3.902 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2cccc3ccccc32)C1 ZINC000053010619 519723644 /nfs/dbraw/zinc/72/36/44/519723644.db2.gz JVXAZMDUEPGFKT-HNNXBMFYSA-N 1 0 268.404 3.664 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2cccc3ccccc32)C1 ZINC000053010621 519725242 /nfs/dbraw/zinc/72/52/42/519725242.db2.gz JVXAZMDUEPGFKT-OAHLLOKOSA-N 1 0 268.404 3.664 10 0 CHAERO CC(C)C[NH2+]CCCCCOc1ccc(F)cc1 ZINC000052667873 519743204 /nfs/dbraw/zinc/74/32/04/519743204.db2.gz OOSIOSRTPITTGW-UHFFFAOYSA-N 1 0 253.361 3.620 10 0 CHAERO CC(C)CO[C@H](C[NH2+]C(C)(C)C)c1ccccc1F ZINC000050492332 519761255 /nfs/dbraw/zinc/76/12/55/519761255.db2.gz ZWFWHGJILITCBI-OAHLLOKOSA-N 1 0 267.388 3.928 10 0 CHAERO CC(C)[C@@H](C)[N@H+](C)C1(CN)CCC(C(C)C)CC1 ZINC000054557048 519791173 /nfs/dbraw/zinc/79/11/73/519791173.db2.gz VVOJTSPZWJGFPY-QQFBHYJXSA-N 1 0 254.462 3.506 10 0 CHAERO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CCCc1ccccc1 ZINC000062705144 519804881 /nfs/dbraw/zinc/80/48/81/519804881.db2.gz PYHNPUXPPOMURA-MOPGFXCFSA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)[C@H]([NH3+])c1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000054556845 519817909 /nfs/dbraw/zinc/81/79/09/519817909.db2.gz FIHWUUOEKCBLHZ-GWCFXTLKSA-N 1 0 252.427 3.560 10 0 CHAERO CC(C)c1ccccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000019274817 519846394 /nfs/dbraw/zinc/84/63/94/519846394.db2.gz GUCKZWIECGSJGN-UHFFFAOYSA-N 1 0 268.360 3.521 10 0 CHAERO CC(C)c1ccccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127678508 519846765 /nfs/dbraw/zinc/84/67/65/519846765.db2.gz RCRSDFWNTDOBIH-LSDHHAIUSA-N 1 0 258.409 3.849 10 0 CHAERO CC(C)c1ccccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127678253 519846982 /nfs/dbraw/zinc/84/69/82/519846982.db2.gz RCRSDFWNTDOBIH-HUUCEWRRSA-N 1 0 258.409 3.849 10 0 CHAERO CCCN1C[C@@H](Cc2ccccc2)[NH2+]Cc2ccccc21 ZINC000062671276 519864417 /nfs/dbraw/zinc/86/44/17/519864417.db2.gz HRIJPYZELVROTP-GOSISDBHSA-N 1 0 280.415 3.618 10 0 CHAERO CCCN1C[C@@H](c2ccccc2)[NH2+]Cc2ccccc21 ZINC000062662949 519864646 /nfs/dbraw/zinc/86/46/46/519864646.db2.gz FBRKHKUMSMCGQC-KRWDZBQOSA-N 1 0 266.388 3.748 10 0 CHAERO CCCC1CCC(NC2=[NH+]C(C)(C)CS2)CC1 ZINC000049546573 519898128 /nfs/dbraw/zinc/89/81/28/519898128.db2.gz ZXTZFUCRSNDMJH-UHFFFAOYSA-N 1 0 254.443 3.816 10 0 CHAERO CCCC1CCC([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000049197105 519899267 /nfs/dbraw/zinc/89/92/67/519899267.db2.gz VXYSUIKOVUQKQM-GPANFISMSA-N 1 0 254.462 3.521 10 0 CHAERO CC[NH2+]C(C)(C)c1nc2cc(C)ccc2n1C(C)C ZINC000061149798 519909056 /nfs/dbraw/zinc/90/90/56/519909056.db2.gz BBBAXBFOUYBROU-UHFFFAOYSA-N 1 0 259.397 3.770 10 0 CHAERO CC[NH2+]CC1(OCc2ccccc2Cl)CCCC1 ZINC000050492568 519914103 /nfs/dbraw/zinc/91/41/03/519914103.db2.gz PHZSBNQHAILETI-UHFFFAOYSA-N 1 0 267.800 3.779 10 0 CHAERO CCC[NH2+]C[C@@H](CC)N(C)[C@@H](C)c1ccccc1F ZINC000062020281 519921353 /nfs/dbraw/zinc/92/13/53/519921353.db2.gz IRAFBCJTJILFCM-UONOGXRCSA-N 1 0 266.404 3.597 10 0 CHAERO CCC[NH2+]C[C@H](CCCOC)Cc1ccccc1C ZINC000052978808 519932822 /nfs/dbraw/zinc/93/28/22/519932822.db2.gz SQWXSXRZJHHAOA-MRXNPFEDSA-N 1 0 263.425 3.580 10 0 CHAERO CC[NH2+]C[C@H](CCC(C)C)Cc1ccccc1OC ZINC000052980249 519971182 /nfs/dbraw/zinc/97/11/82/519971182.db2.gz GDRQYTLSAHYQCK-OAHLLOKOSA-N 1 0 263.425 3.900 10 0 CHAERO CC[NH2+]C[C@H](C)c1nc2cccc(Cl)c2n1C(C)C ZINC000061219382 519971554 /nfs/dbraw/zinc/97/15/54/519971554.db2.gz IRFSSHJPCXCMFL-NSHDSACASA-N 1 0 279.815 3.984 10 0 CHAERO CC[NH2+]C[C@H](O[C@H](C)CC(C)C)c1ccccc1F ZINC000050489024 519975493 /nfs/dbraw/zinc/97/54/93/519975493.db2.gz DADCRWNXMHWUJZ-CJNGLKHVSA-N 1 0 267.388 3.928 10 0 CHAERO CC[NH2+][C@@H](C)c1cccc(OCc2cnc(C)s2)c1 ZINC000062336668 520078063 /nfs/dbraw/zinc/07/80/63/520078063.db2.gz YOQPMYMLHHAFCL-NSHDSACASA-N 1 0 276.405 3.701 10 0 CHAERO CCC[NH2+][C@H](c1ccc(C)s1)[C@H]1CCCOC1 ZINC000062233464 520089093 /nfs/dbraw/zinc/08/90/93/520089093.db2.gz HEYGUIHZJGDKHV-JSGCOSHPSA-N 1 0 253.411 3.524 10 0 CHAERO CC[NH2+][C@@H](Cc1cc(F)cc(F)c1)C1CCCC1 ZINC000049349307 520104382 /nfs/dbraw/zinc/10/43/82/520104382.db2.gz HEYYQHHLJVBJMV-HNNXBMFYSA-N 1 0 253.336 3.676 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)C ZINC000063031486 520104397 /nfs/dbraw/zinc/10/43/97/520104397.db2.gz YXTWMYDXGQJHIS-ZDUSSCGKSA-N 1 0 259.315 3.882 10 0 CHAERO CC[NH2+][C@@H](Cc1nc(C)cs1)c1ccc(C)c(C)c1 ZINC000055269097 520108391 /nfs/dbraw/zinc/10/83/91/520108391.db2.gz BQXRSJCMTJTQOH-HNNXBMFYSA-N 1 0 274.433 3.962 10 0 CHAERO CCCCCCOc1nc(C)cc(C)c1C[NH2+]CC ZINC000051542026 520108521 /nfs/dbraw/zinc/10/85/21/520108521.db2.gz ZAFKPXZIMDTPQE-UHFFFAOYSA-N 1 0 264.413 3.767 10 0 CHAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000055265442 520116666 /nfs/dbraw/zinc/11/66/66/520116666.db2.gz VGSNWCHVCRMNOG-DZGCQCFKSA-N 1 0 265.372 3.860 10 0 CHAERO CC[NH2+][C@@H]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000049345940 520118151 /nfs/dbraw/zinc/11/81/51/520118151.db2.gz XUTXXILFGMLNJN-QMTHXVAHSA-N 1 0 255.764 3.800 10 0 CHAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1Oc1cc(F)cc(F)c1 ZINC000054932698 520122816 /nfs/dbraw/zinc/12/28/16/520122816.db2.gz BCKWVGIMFXKCHP-VQISRLSMSA-N 1 0 269.335 3.510 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(Sc2nnc(C)o2)c(Cl)c1 ZINC000061700402 520179738 /nfs/dbraw/zinc/17/97/38/520179738.db2.gz UDDQWACPFWFBRI-MRVPVSSYSA-N 1 0 297.811 3.853 10 0 CHAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CCOC(C)C ZINC000054630937 520217154 /nfs/dbraw/zinc/21/71/54/520217154.db2.gz MHTGZVZDJGKYGI-PMPSAXMXSA-N 1 0 255.446 3.852 10 0 CHAERO CCCCC[NH2+]C[C@@H](C)Oc1ccccc1OCC ZINC000053565048 520225262 /nfs/dbraw/zinc/22/52/62/520225262.db2.gz PLYUVLOSXNLFPJ-CQSZACIVSA-N 1 0 265.397 3.632 10 0 CHAERO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000020140114 520414791 /nfs/dbraw/zinc/41/47/91/520414791.db2.gz XDFZXYYTPJLXIB-CQSZACIVSA-N 1 0 270.376 3.721 10 0 CHAERO CCCOc1ccc([C@@H]([NH2+]C)c2nc(C)cs2)cc1 ZINC000052920486 520416805 /nfs/dbraw/zinc/41/68/05/520416805.db2.gz UAGIZIILAUDOHQ-CQSZACIVSA-N 1 0 276.405 3.549 10 0 CHAERO CCCCN(C)[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052418088 520434022 /nfs/dbraw/zinc/43/40/22/520434022.db2.gz QLRODXRQTUVDEJ-KRWDZBQOSA-N 1 0 262.441 3.705 10 0 CHAERO CCCOc1cccc([C@H]([NH2+]C)c2cccs2)c1 ZINC000061667623 520470449 /nfs/dbraw/zinc/47/04/49/520470449.db2.gz OAVQAUYBTLBICU-HNNXBMFYSA-N 1 0 261.390 3.846 10 0 CHAERO CCCCN(CC)c1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2 ZINC000054864560 520483340 /nfs/dbraw/zinc/48/33/40/520483340.db2.gz AYTZWJVQCCAGSP-NSHDSACASA-N 1 0 281.469 3.742 10 0 CHAERO CCC[C@@H](C)COc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746274 520632676 /nfs/dbraw/zinc/63/26/76/520632676.db2.gz INJVIIIVVYJVBL-VXGBXAGGSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[C@@H](COc1ccc(C)cc1Cl)[NH2+]CC ZINC000054350320 520710294 /nfs/dbraw/zinc/71/02/94/520710294.db2.gz NEEAIDAKLWOAHT-LBPRGKRZSA-N 1 0 255.789 3.805 10 0 CHAERO CCC[C@@](C)(C[NH2+]CCOC)Cc1ccc(Cl)cc1 ZINC000054657418 520910598 /nfs/dbraw/zinc/91/05/98/520910598.db2.gz LSWSWTBRWQVBCY-MRXNPFEDSA-N 1 0 283.843 3.925 10 0 CHAERO CCCC[C@@H](CC)C[C@@]1(C[NH2+]C(C)C)CCOC1 ZINC000054665029 521038417 /nfs/dbraw/zinc/03/84/17/521038417.db2.gz UQVCJSRFYPHXKC-HZPDHXFCSA-N 1 0 255.446 3.998 10 0 CHAERO CC[N@H+](C[C@](C)(N)c1ccccc1)C1CCCCC1 ZINC000052883234 521273808 /nfs/dbraw/zinc/27/38/08/521273808.db2.gz QOOGUCUCVLGGPL-KRWDZBQOSA-N 1 0 260.425 3.515 10 0 CHAERO CCCc1ccc([C@H]([NH3+])Cc2nc(C)cs2)cc1 ZINC000055267948 521419334 /nfs/dbraw/zinc/41/93/34/521419334.db2.gz AEAAODRVNCWHJZ-CQSZACIVSA-N 1 0 260.406 3.647 10 0 CHAERO CCC(CC)(C[NH2+]C)c1ccc(OCC(C)C)cc1 ZINC000053739635 521439317 /nfs/dbraw/zinc/43/93/17/521439317.db2.gz LKJPAOFDYUKPPZ-UHFFFAOYSA-N 1 0 263.425 3.999 10 0 CHAERO CCN(c1cc(Cl)ccc1C[NH3+])C1CCCCC1 ZINC000062786740 521479202 /nfs/dbraw/zinc/47/92/02/521479202.db2.gz JHFSUBKEGQWDGJ-UHFFFAOYSA-N 1 0 266.816 3.958 10 0 CHAERO CCCN(C)c1nc2c(s1)[C@@H]([NH2+]CC)CC(C)(C)C2 ZINC000054902280 521519756 /nfs/dbraw/zinc/51/97/56/521519756.db2.gz ODTPTFBLRNKAFJ-NSHDSACASA-N 1 0 281.469 3.612 10 0 CHAERO CCCc1nc(C[C@@H]([NH2+]CC)c2ccccc2)cs1 ZINC000051966113 521524951 /nfs/dbraw/zinc/52/49/51/521524951.db2.gz GGNMGMVFPRMDQI-OAHLLOKOSA-N 1 0 274.433 3.989 10 0 CHAERO CCC(CC)[NH2+]CCOc1ccc(C)cc1Cl ZINC000054369200 521596823 /nfs/dbraw/zinc/59/68/23/521596823.db2.gz XAAQIFGPUXQJDS-UHFFFAOYSA-N 1 0 255.789 3.805 10 0 CHAERO CCC[N@H+](CC1CC1)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025070 521626892 /nfs/dbraw/zinc/62/68/92/521626892.db2.gz IEANUJRPSGYXLZ-HNNXBMFYSA-N 1 0 276.449 3.526 10 0 CHAERO CCCn1c(C[C@H](C)[NH2+]CC)nc2cccc(Cl)c21 ZINC000061181970 521630879 /nfs/dbraw/zinc/63/08/79/521630879.db2.gz KSBIXTVHCSKUCI-NSHDSACASA-N 1 0 279.815 3.640 10 0 CHAERO CCCN([C@H](C[NH2+]C(C)C)c1ccccc1)C1CC1 ZINC000052449316 521697399 /nfs/dbraw/zinc/69/73/99/521697399.db2.gz BAPWDEZAZHVXCS-QGZVFWFLSA-N 1 0 260.425 3.600 10 0 CHAERO CCCN(c1ncc(C[NH2+]C(C)(C)C)s1)C(C)C ZINC000054902773 521697664 /nfs/dbraw/zinc/69/76/64/521697664.db2.gz LOLJQIZXUTZBIL-UHFFFAOYSA-N 1 0 269.458 3.656 10 0 CHAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(F)c(Cl)c1 ZINC000054601865 521956943 /nfs/dbraw/zinc/95/69/43/521956943.db2.gz QBSOYVKQCXAARV-YOGCLGLASA-N 1 0 282.790 3.588 10 0 CHAERO C[NH2+]CC1(O[C@H]2CCCC[C@@H]2C)CCC(C)CC1 ZINC000050491592 521971881 /nfs/dbraw/zinc/97/18/81/521971881.db2.gz AATOLWQBEUKBAX-PYBGIAKNSA-N 1 0 253.430 3.750 10 0 CHAERO C[NH2+]CCCCn1c(C)c(Br)c2ccccc21 ZINC000055331942 521994794 /nfs/dbraw/zinc/99/47/94/521994794.db2.gz LLQZRJQNEHNXPF-UHFFFAOYSA-N 1 0 295.224 3.712 10 0 CHAERO CC[C@@H](C)COc1ccc(OC)cc1C[NH2+]C(C)C ZINC000050423538 522005605 /nfs/dbraw/zinc/00/56/05/522005605.db2.gz MYXQMULCZFNBJK-CYBMUJFWSA-N 1 0 265.397 3.618 10 0 CHAERO C[NH2+]C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000052971092 522034576 /nfs/dbraw/zinc/03/45/76/522034576.db2.gz POXFNOHLGUPYFI-GFCCVEGCSA-N 1 0 275.314 3.619 10 0 CHAERO C[NH2+]C[C@@H](Cc1cccc(Cl)c1)CC1CCOCC1 ZINC000052977582 522034753 /nfs/dbraw/zinc/03/47/53/522034753.db2.gz WQPCSUVRTVDMPG-OAHLLOKOSA-N 1 0 281.827 3.535 10 0 CHAERO C[NH2+]C[C@@H](OCc1ccccc1)c1ccccc1Cl ZINC000050488093 522038813 /nfs/dbraw/zinc/03/88/13/522038813.db2.gz YZYFABSJYGDCIB-MRXNPFEDSA-N 1 0 275.779 3.817 10 0 CHAERO C[NH2+]C[C@H](O[C@H]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000050497743 522078270 /nfs/dbraw/zinc/07/82/70/522078270.db2.gz LBKMBEAUQXZGJN-KCXAZCMYSA-N 1 0 265.372 3.682 10 0 CHAERO C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)c(F)c1 ZINC000054933417 522125001 /nfs/dbraw/zinc/12/50/01/522125001.db2.gz BMHHHCGTNIBKJI-UHFFFAOYSA-N 1 0 267.250 3.616 10 0 CHAERO C[NH2+]Cc1ccccc1COc1ccc(Cl)cc1C ZINC000052690479 522136826 /nfs/dbraw/zinc/13/68/26/522136826.db2.gz SEGWGSUWVSDVSJ-UHFFFAOYSA-N 1 0 275.779 3.947 10 0 CHAERO C[NH2+][C@@H](C[C@@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223488 522360705 /nfs/dbraw/zinc/36/07/05/522360705.db2.gz RKABYINZNUTEAQ-CABZTGNLSA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)cc1C)c1cc(F)ccc1C ZINC000055228431 522367377 /nfs/dbraw/zinc/36/73/77/522367377.db2.gz OJEGWACGWCVKPG-INIZCTEOSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCCCO1 ZINC000050961743 522368269 /nfs/dbraw/zinc/36/82/69/522368269.db2.gz ANQVGJOLCXCKKJ-OLZOCXBDSA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000050330058 522389264 /nfs/dbraw/zinc/38/92/64/522389264.db2.gz MTLLZVDBTMFFMY-GFCCVEGCSA-N 1 0 258.390 3.715 10 0 CHAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000055225555 522457182 /nfs/dbraw/zinc/45/71/82/522457182.db2.gz NAYHODBKFBKXIU-SECBINFHSA-N 1 0 271.204 3.918 10 0 CHAERO C[NH2+][C@H](Cc1ccncc1)c1cccc(Cl)c1Cl ZINC000055229148 522475466 /nfs/dbraw/zinc/47/54/66/522475466.db2.gz YHAJLTUWVRLJJD-CYBMUJFWSA-N 1 0 281.186 3.892 10 0 CHAERO CC[C@@H](C[NH2+]C(C)(C)C)Cc1ccc(OC)c(F)c1 ZINC000052974001 522543274 /nfs/dbraw/zinc/54/32/74/522543274.db2.gz ZVFRCTNDFFEBDS-GFCCVEGCSA-N 1 0 267.388 3.791 10 0 CHAERO CC[C@@H](C[NH2+]C1CC1)Oc1cc(C)ccc1Cl ZINC000052697310 522545861 /nfs/dbraw/zinc/54/58/61/522545861.db2.gz VCCURDZWXIRJCB-LBPRGKRZSA-N 1 0 253.773 3.558 10 0 CHAERO CC[C@@H]([NH3+])[C@H](SC1CCCC1)c1ccccn1 ZINC000062829566 522651240 /nfs/dbraw/zinc/65/12/40/522651240.db2.gz PZNIVVOFOADLCR-OCCSQVGLSA-N 1 0 250.411 3.536 10 0 CHAERO CN(CCCCC[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC000052540529 522730616 /nfs/dbraw/zinc/73/06/16/522730616.db2.gz OFMKALSLJHGEFG-UHFFFAOYSA-N 1 0 266.404 3.820 10 0 CHAERO CC[C@@H]([NH2+]Cc1ncc(CSC)s1)C(C)C ZINC000293429628 522896341 /nfs/dbraw/zinc/89/63/41/522896341.db2.gz BASGZMLWPJMWBY-LLVKDONJSA-N 1 0 258.456 3.530 10 0 CHAERO CC[C@H](c1cccs1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000049531893 522952520 /nfs/dbraw/zinc/95/25/20/522952520.db2.gz UCUYAJPAKVJJNI-CQSZACIVSA-N 1 0 258.390 3.797 10 0 CHAERO COCCCOC1(C[NH2+]C(C)(C)C)CCCCCC1 ZINC000050486407 523381927 /nfs/dbraw/zinc/38/19/27/523381927.db2.gz HAFAQAANNRZSAY-UHFFFAOYSA-N 1 0 271.445 3.521 10 0 CHAERO CC[C@]([NH3+])(Cc1cccc(OC)c1)c1ccccc1 ZINC000053759309 523524337 /nfs/dbraw/zinc/52/43/37/523524337.db2.gz NFYOBRIKHLKNCK-KRWDZBQOSA-N 1 0 255.361 3.502 10 0 CHAERO CC[C@](C[NH2+]C)(Cc1ccsc1)c1ccccc1 ZINC000054659139 523525264 /nfs/dbraw/zinc/52/52/64/523525264.db2.gz DCMDEVBNFJVSQU-MRXNPFEDSA-N 1 0 259.418 3.858 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccsc2)c1C ZINC000061361884 523663069 /nfs/dbraw/zinc/66/30/69/523663069.db2.gz BIJNBEALMGKMNP-GHMZBOCLSA-N 1 0 277.437 3.993 10 0 CHAERO CCc1ccc([C@@H](CC)[NH2+][C@H]2CCC[C@@H]2OC)cc1 ZINC000050370744 524028556 /nfs/dbraw/zinc/02/85/56/524028556.db2.gz PXCMBCFMKJHQIE-IKGGRYGDSA-N 1 0 261.409 3.857 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)s1 ZINC000041203243 524047343 /nfs/dbraw/zinc/04/73/43/524047343.db2.gz VHBMRKCOXNUTBK-MDZLAQPJSA-N 1 0 253.411 3.529 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)s1 ZINC000249774088 524047421 /nfs/dbraw/zinc/04/74/21/524047421.db2.gz VHBMRKCOXNUTBK-NTZNESFSSA-N 1 0 253.411 3.529 10 0 CHAERO C[C@@H]1CCCC[C@]1([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703225 524180457 /nfs/dbraw/zinc/18/04/57/524180457.db2.gz QMCCIOHTPVPGNP-ZWNOBZJWSA-N 1 0 273.298 3.949 10 0 CHAERO C[C@@H](C1CC1)[N@H+](C)Cc1nc2sccc2c(Cl)n1 ZINC000050839992 524320717 /nfs/dbraw/zinc/32/07/17/524320717.db2.gz FSHHAYSAYLSUSK-QMMMGPOBSA-N 1 0 281.812 3.575 10 0 CHAERO C[C@H](C[NH2+]C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000052966763 524479057 /nfs/dbraw/zinc/47/90/57/524479057.db2.gz HLWFMIBBCUPEBG-JTQLQIEISA-N 1 0 257.299 3.636 10 0 CHAERO COc1ccccc1[C@@H](C[NH2+]C(C)C)OC(C)(C)C ZINC000050484102 524732334 /nfs/dbraw/zinc/73/23/34/524732334.db2.gz MUCFVZFHGDPIGW-OAHLLOKOSA-N 1 0 265.397 3.549 10 0 CHAERO Cc1cc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)on1 ZINC000132690186 524775653 /nfs/dbraw/zinc/77/56/53/524775653.db2.gz RRGKUTSDGJDYFL-MRXNPFEDSA-N 1 0 270.376 3.786 10 0 CHAERO Cc1cc(COc2ccc(C(C)C)cc2)oc1C[NH3+] ZINC000052653415 524805957 /nfs/dbraw/zinc/80/59/57/524805957.db2.gz OFESKLVQGQQQRM-UHFFFAOYSA-N 1 0 259.349 3.749 10 0 CHAERO C[C@H]([NH3+])c1cnc(Cc2ccc(F)cc2Cl)s1 ZINC000062608548 524869061 /nfs/dbraw/zinc/86/90/61/524869061.db2.gz QPVNIJNSOFZOPX-ZETCQYMHSA-N 1 0 270.760 3.546 10 0 CHAERO Cc1cc(F)ccc1[C@H](CN)[N@@H+](C)[C@@H](C)CC(C)C ZINC000050579090 525008456 /nfs/dbraw/zinc/00/84/56/525008456.db2.gz DEHOEOGBVSZYPU-BBRMVZONSA-N 1 0 266.404 3.500 10 0 CHAERO C[C@H]1c2ccsc2CCN1c1ccc(Cl)cc1C[NH3+] ZINC000052857574 525132553 /nfs/dbraw/zinc/13/25/53/525132553.db2.gz XVDQSFVLTISUCA-JTQLQIEISA-N 1 0 292.835 3.984 10 0 CHAERO Cc1ccccc1CN1CC(C)(C)[NH2+]Cc2ccccc21 ZINC000062671262 525135232 /nfs/dbraw/zinc/13/52/32/525135232.db2.gz OMTZBEUDSVOMNV-UHFFFAOYSA-N 1 0 280.415 3.883 10 0 CHAERO Cc1ccccc1CSc1ccccc1C(N)=[NH2+] ZINC000054964125 525185445 /nfs/dbraw/zinc/18/54/45/525185445.db2.gz SSRIKLYJPWFJEO-UHFFFAOYSA-N 1 0 256.374 3.571 10 0 CHAERO COc1ccc([C@H]([NH3+])C2CCC(C)CC2)c(OC)c1 ZINC000055232960 525360533 /nfs/dbraw/zinc/36/05/33/525360533.db2.gz UDYQSJCJQYSSMO-ZEPSKSRBSA-N 1 0 263.381 3.530 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000037228521 525418067 /nfs/dbraw/zinc/41/80/67/525418067.db2.gz VZHBWZLWYZKFBY-AWEZNQCLSA-N 1 0 271.408 3.797 10 0 CHAERO Cc1ccc(OCC[NH2+]CCc2ccsc2)c(Cl)c1 ZINC000054369235 525422468 /nfs/dbraw/zinc/42/24/68/525422468.db2.gz HRWUDJYAKMNROB-UHFFFAOYSA-N 1 0 295.835 3.921 10 0 CHAERO Cc1cc(Sc2ccc([C@@H](C)[NH3+])cc2Cl)n(C)n1 ZINC000061700449 525442319 /nfs/dbraw/zinc/44/23/19/525442319.db2.gz BUOTWKQOTMSWIT-SECBINFHSA-N 1 0 281.812 3.553 10 0 CHAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCCCC[C@@H]2O)c(C)s1 ZINC000049506722 525477457 /nfs/dbraw/zinc/47/74/57/525477457.db2.gz QNEHHZBGDNKGHX-UGFHNGPFSA-N 1 0 267.438 3.709 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000280970517 525487942 /nfs/dbraw/zinc/48/79/42/525487942.db2.gz HSOYJROYRNEQHJ-YVECIDJPSA-N 1 0 283.362 3.819 10 0 CHAERO Cc1cc([C@H](C)n2c(N)[nH+]c3ccccc32)c(C)s1 ZINC000049510258 525534966 /nfs/dbraw/zinc/53/49/66/525534966.db2.gz JZYZJYCZUJTFJV-JTQLQIEISA-N 1 0 271.389 3.906 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Br)s1 ZINC000052275045 525638004 /nfs/dbraw/zinc/63/80/04/525638004.db2.gz SFAIBOSCCGIIEC-CSMHCCOUSA-N 1 0 260.200 3.570 10 0 CHAERO COc1ccc2ccccc2c1C[C@H]([NH3+])CC(C)C ZINC000054928572 525652254 /nfs/dbraw/zinc/65/22/54/525652254.db2.gz BEJUHVJBTVSJCA-CQSZACIVSA-N 1 0 257.377 3.764 10 0 CHAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccsc1 ZINC000050338866 525666593 /nfs/dbraw/zinc/66/65/93/525666593.db2.gz PBWJYGLMXYIGRV-CZUORRHYSA-N 1 0 274.433 3.702 10 0 CHAERO C[C@@]1(c2ccccc2C(F)(F)F)C[C@H]1C[NH2+]C1CC1 ZINC000054596457 525903252 /nfs/dbraw/zinc/90/32/52/525903252.db2.gz RNRGBBBSFWHQAL-IINYFYTJSA-N 1 0 269.310 3.735 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2cncc(F)c2)cc1C ZINC000275188958 525930888 /nfs/dbraw/zinc/93/08/88/525930888.db2.gz OPPVVMQYDJZVFG-ZDUSSCGKSA-N 1 0 258.340 3.688 10 0 CHAERO CSc1ccc(N2CC[C@H](C[NH2+]C(C)(C)C)C2)cc1 ZINC000053011533 526021943 /nfs/dbraw/zinc/02/19/43/526021943.db2.gz CYPMXGLKJAWKIR-CYBMUJFWSA-N 1 0 278.465 3.623 10 0 CHAERO COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)n1 ZINC000223212191 526030589 /nfs/dbraw/zinc/03/05/89/526030589.db2.gz PLYDWEYCRGZMSK-AWEZNQCLSA-N 1 0 270.376 3.558 10 0 CHAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070075426 526040320 /nfs/dbraw/zinc/04/03/20/526040320.db2.gz REWZODQLKGHCGQ-DCAQKATOSA-N 1 0 287.234 3.737 10 0 CHAERO C[C@@H](c1cccc(Cl)c1)N(C)C(=[NH2+])NC(C)(C)C ZINC000062013084 526067188 /nfs/dbraw/zinc/06/71/88/526067188.db2.gz XDSULAGLOFLTEL-JTQLQIEISA-N 1 0 267.804 3.656 10 0 CHAERO C[C@H](c1cccc(Cl)c1)N(C)C(=[NH2+])NC(C)(C)C ZINC000062013085 526076266 /nfs/dbraw/zinc/07/62/66/526076266.db2.gz XDSULAGLOFLTEL-SNVBAGLBSA-N 1 0 267.804 3.656 10 0 CHAERO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253095633 526098858 /nfs/dbraw/zinc/09/88/58/526098858.db2.gz PGONZEKDXNSHNS-VDHUWJSZSA-N 1 0 273.420 3.763 10 0 CHAERO Cc1ccc(C(C)(C)C)cc1C(=O)CC[NH2+]C1CC1 ZINC000049848024 526243342 /nfs/dbraw/zinc/24/33/42/526243342.db2.gz ZAMKKKOCWNPRSJ-UHFFFAOYSA-N 1 0 259.393 3.617 10 0 CHAERO Fc1ccc(F)c([C@H]2CC[NH2+][C@@H]2c2ccccc2)c1 ZINC000054683548 526350874 /nfs/dbraw/zinc/35/08/74/526350874.db2.gz CKFDAXILTQQEAB-CZUORRHYSA-N 1 0 259.299 3.783 10 0 CHAERO NC(=[NH2+])c1c(F)cccc1Oc1ccc(Cl)cc1 ZINC000062714753 526819926 /nfs/dbraw/zinc/81/99/26/526819926.db2.gz BDZYAERWLDMCNQ-UHFFFAOYSA-N 1 0 264.687 3.555 10 0 CHAERO Cc1nc(C[C@H]([NH3+])c2ccc3ccccc3c2)cs1 ZINC000055294735 526922063 /nfs/dbraw/zinc/92/20/63/526922063.db2.gz UCNGSNBPHAFMLT-INIZCTEOSA-N 1 0 268.385 3.847 10 0 CHAERO [NH3+][C@H](Cc1ccsc1)Cc1c(F)cccc1Cl ZINC000062352277 527391007 /nfs/dbraw/zinc/39/10/07/527391007.db2.gz YAOFQXGOPSPTBW-SNVBAGLBSA-N 1 0 269.772 3.653 10 0 CHAERO [NH3+][C@H]1CCCc2nc(-c3cccc(Cl)c3F)sc21 ZINC000062606468 527410383 /nfs/dbraw/zinc/41/03/83/527410383.db2.gz AZGDIVBIVRXLTR-VIFPVBQESA-N 1 0 282.771 3.939 10 0 CHAERO FC(F)(F)c1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070223 527682376 /nfs/dbraw/zinc/68/23/76/527682376.db2.gz BNVLXBFWAUNURT-CQSZACIVSA-N 1 0 293.288 3.929 10 0 CHAERO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000191061817 528107834 /nfs/dbraw/zinc/10/78/34/528107834.db2.gz QGIKVUPFMNZIQI-RDJZCZTQSA-N 1 0 287.451 3.592 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cc(C)cc(C)c1 ZINC000083441677 535825101 /nfs/dbraw/zinc/82/51/01/535825101.db2.gz MDEZJVFQSVURJW-NVXWUHKLSA-N 1 0 260.425 3.516 10 0 CHAERO C[C@@H]1CCC[N@H+](Cc2cc(N)ccc2Br)[C@H]1C ZINC000252681944 566977823 /nfs/dbraw/zinc/97/78/23/566977823.db2.gz BHDGEMDZBJDLGD-MNOVXSKESA-N 1 0 297.240 3.652 10 0 CHAERO CC[C@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000036097927 566995044 /nfs/dbraw/zinc/99/50/44/566995044.db2.gz YTROOBZUBOBNLK-INIZCTEOSA-N 1 0 291.366 3.500 10 0 CHAERO CC(C)[C@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675081218 567028259 /nfs/dbraw/zinc/02/82/59/567028259.db2.gz MNMQGTSFLRCNPJ-LBPRGKRZSA-N 1 0 268.154 3.851 10 0 CHAERO CCC[C@@]1([NH+]2CCC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952704 567209224 /nfs/dbraw/zinc/20/92/24/567209224.db2.gz PENYDDKCSJMMNE-QGZVFWFLSA-N 1 0 296.455 3.652 10 0 CHAERO CCC[C@]1([NH+](C)C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952201 567209431 /nfs/dbraw/zinc/20/94/31/567209431.db2.gz AHEQOBXJDVQZJB-INIZCTEOSA-N 1 0 284.444 3.508 10 0 CHAERO CCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000034652123 567888725 /nfs/dbraw/zinc/88/87/25/567888725.db2.gz WSBTZZKAAUSNBR-UHFFFAOYSA-N 1 0 271.788 3.635 10 0 CHAERO CC(C)c1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000048409110 567892888 /nfs/dbraw/zinc/89/28/88/567892888.db2.gz DNYHZOOGKUYCQW-UHFFFAOYSA-N 1 0 279.387 3.976 10 0 CHAERO CC(C)(C)OC(=O)C1(C[NH3+])CCC(c2ccccc2)CC1 ZINC000725245122 567908257 /nfs/dbraw/zinc/90/82/57/567908257.db2.gz QGSRGKNLOMWKDI-UHFFFAOYSA-N 1 0 289.419 3.631 10 0 CHAERO [NH3+]Cc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12 ZINC000095496227 567909423 /nfs/dbraw/zinc/90/94/23/567909423.db2.gz DGYKSIADPRMHNT-UHFFFAOYSA-N 1 0 294.198 3.731 10 0 CHAERO CC(C)(C)OC(=O)C1(C[NH3+])CC(C)(C)CC(C)(C)C1 ZINC000725244184 570255452 /nfs/dbraw/zinc/25/54/52/570255452.db2.gz FDVYTVDACSWYDI-UHFFFAOYSA-N 1 0 269.429 3.510 10 0 CHAERO C[N@H+](Cc1cc(N)ccc1Br)C1CCCCC1 ZINC000128343852 570369255 /nfs/dbraw/zinc/36/92/55/570369255.db2.gz KSTIZFMZMQDNES-UHFFFAOYSA-N 1 0 297.240 3.796 10 0 CHAERO [NH3+]C[C@@H](SC1CCCCC1)C(F)(F)C(F)(F)F ZINC000616569090 570408754 /nfs/dbraw/zinc/40/87/54/570408754.db2.gz HTTMBFRSUWQUNB-MRVPVSSYSA-N 1 0 277.302 3.577 10 0 CHAERO CC[N@@H+](Cc1c(N)cccc1Br)CC(C)C ZINC000037110894 570411441 /nfs/dbraw/zinc/41/14/41/570411441.db2.gz NJVLXXPKKIBLLA-UHFFFAOYSA-N 1 0 285.229 3.509 10 0 CHAERO C(=C/c1ccco1)\C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328629108 1128433657 /nfs/dbraw/zinc/43/36/57/1128433657.db2.gz OJKUWUGBADONDB-LOGPRUAHSA-N 1 0 283.371 3.660 10 0 CHAERO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CCCNC1=O ZINC000329671014 1119475657 /nfs/dbraw/zinc/47/56/57/1119475657.db2.gz TXSGHZDTGPEYGV-HZPDHXFCSA-N 1 0 297.402 3.562 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccsc1 ZINC000188949032 1120470119 /nfs/dbraw/zinc/47/01/19/1120470119.db2.gz KXVRARQDBHYMHB-AWEZNQCLSA-N 1 0 259.374 3.670 10 0 CHAERO COCCCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000103227337 1123783313 /nfs/dbraw/zinc/78/33/13/1123783313.db2.gz RUZYLIHIMWOZOM-QGZVFWFLSA-N 1 0 291.435 3.519 10 0 CHAERO C[NH2+]Cc1sc(Cc2ccc(OC)cc2)nc1C(C)C ZINC000082429610 178006863 /nfs/dbraw/zinc/00/68/63/178006863.db2.gz TZBMMJXBXXNJAX-UHFFFAOYSA-N 1 0 290.432 3.585 10 0 CHAERO CC(C)Cc1nc(C(C)C)c(C[NH2+]C2CC2)s1 ZINC000082430445 178008246 /nfs/dbraw/zinc/00/82/46/178008246.db2.gz LCTOGZGRVFTDPE-UHFFFAOYSA-N 1 0 252.427 3.717 10 0 CHAERO CC[NH2+]Cc1sc(CC(C)C)nc1C(C)(C)C ZINC000082439981 178018410 /nfs/dbraw/zinc/01/84/10/178018410.db2.gz VICLJBCJDUXVGC-UHFFFAOYSA-N 1 0 254.443 3.749 10 0 CHAERO CC[NH+](CC)CCCN[C@H]1CC(C)(C)Oc2ccccc21 ZINC000082504842 178068839 /nfs/dbraw/zinc/06/88/39/178068839.db2.gz OQOAWKNWWZVKJV-INIZCTEOSA-N 1 0 290.451 3.610 10 0 CHAERO C[NH2+][C@@H]1CC(C)(C)Oc2cc(C)c(Cl)c(C)c21 ZINC000082505634 178069576 /nfs/dbraw/zinc/06/95/76/178069576.db2.gz FKMHLQVKEBZEHR-SNVBAGLBSA-N 1 0 253.773 3.778 10 0 CHAERO Cc1cccc(C[NH2+]CCSC(F)(F)C(F)(F)F)c1 ZINC000095918321 185030514 /nfs/dbraw/zinc/03/05/14/185030514.db2.gz RSFIKNWHMVLSRY-UHFFFAOYSA-N 1 0 299.308 3.973 10 0 CHAERO Cc1ccc(C[NH2+][C@@H](C)CSC(F)(F)F)cc1 ZINC000095918339 185031107 /nfs/dbraw/zinc/03/11/07/185031107.db2.gz AOIUJDARFUQKRL-JTQLQIEISA-N 1 0 263.328 3.726 10 0 CHAERO COc1cccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000096085716 185094112 /nfs/dbraw/zinc/09/41/12/185094112.db2.gz SQSQQSDVEKKXFD-IBGZPJMESA-N 1 0 290.366 3.679 10 0 CHAERO CC(C)C[C@@H]1[NH2+]CCc2c(Br)cc(F)cc21 ZINC000096807700 185114893 /nfs/dbraw/zinc/11/48/93/185114893.db2.gz ULDXHMTYDFDEEG-ZDUSSCGKSA-N 1 0 286.188 3.821 10 0 CHAERO COc1cc([C@H]([NH3+])CC(C)C)c(OC)cc1C(C)C ZINC000096889454 185123819 /nfs/dbraw/zinc/12/38/19/185123819.db2.gz KSLTUNKPEDNLLE-CQSZACIVSA-N 1 0 265.397 3.873 10 0 CHAERO Cc1ccccc1Sc1ccccc1N1CC[NH2+]CC1 ZINC000095562676 136517378 /nfs/dbraw/zinc/51/73/78/136517378.db2.gz MBWUFSQDLZYQLA-UHFFFAOYSA-N 1 0 284.428 3.556 10 0 CHAERO CCOc1ccc(C[C@@H](C)[NH2+]C(C)C)cc1Cl ZINC000098130234 185691517 /nfs/dbraw/zinc/69/15/17/185691517.db2.gz SQWYACFNIKJFTK-LLVKDONJSA-N 1 0 255.789 3.668 10 0 CHAERO CCc1ccccc1O[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000104012128 185882201 /nfs/dbraw/zinc/88/22/01/185882201.db2.gz HKAVEIAXJMXXAQ-KRWDZBQOSA-N 1 0 263.425 3.898 10 0 CHAERO CC(C)C[NH2+]C[C@H](Oc1ccc(Cl)cc1)C(C)C ZINC000104002083 185878999 /nfs/dbraw/zinc/87/89/99/185878999.db2.gz BZPQEIUHOQYFJR-HNNXBMFYSA-N 1 0 269.816 3.989 10 0 CHAERO CCC[C@]1(CN(CC)c2ccccc2)CCC[NH2+]C1 ZINC000104174829 185917071 /nfs/dbraw/zinc/91/70/71/185917071.db2.gz AULGGNYGQCOLKX-KRWDZBQOSA-N 1 0 260.425 3.683 10 0 CHAERO CC[C@@H]([NH3+])Cc1ccccc1N(C)Cc1ccsc1 ZINC000104269061 185949281 /nfs/dbraw/zinc/94/92/81/185949281.db2.gz HGEYZYOYBSULHX-OAHLLOKOSA-N 1 0 274.433 3.664 10 0 CHAERO Cc1cc(SCc2ccccc2)ccc1CC[NH3+] ZINC000104291257 185956596 /nfs/dbraw/zinc/95/65/96/185956596.db2.gz SYSHRASHWBKEOC-UHFFFAOYSA-N 1 0 257.402 3.789 10 0 CHAERO [NH3+]CC1(Nc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000104322625 185968700 /nfs/dbraw/zinc/96/87/00/185968700.db2.gz DZUBFGYXTYTSDL-UHFFFAOYSA-N 1 0 272.314 3.779 10 0 CHAERO CCC(C)(C)[NH2+]C[C@@H](C)Oc1ccccc1SC ZINC000104342649 185976706 /nfs/dbraw/zinc/97/67/06/185976706.db2.gz JRQRFCYMUXBATN-GFCCVEGCSA-N 1 0 267.438 3.954 10 0 CHAERO [NH3+]CCc1ccc(Oc2ccc(F)c(Cl)c2)cc1 ZINC000104425081 185997604 /nfs/dbraw/zinc/99/76/04/185997604.db2.gz XROYIRCTPQLBQR-UHFFFAOYSA-N 1 0 265.715 3.773 10 0 CHAERO C(COC1CCCC1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000104437901 186001996 /nfs/dbraw/zinc/00/19/96/186001996.db2.gz XDBKAWRCDRDOPV-ARFHVFGLSA-N 1 0 265.441 3.894 10 0 CHAERO Cc1cccc(CSc2ccc(CC[NH3+])cc2)c1 ZINC000104438549 186002198 /nfs/dbraw/zinc/00/21/98/186002198.db2.gz JYISSJKLVNXDHO-UHFFFAOYSA-N 1 0 257.402 3.789 10 0 CHAERO C[C@H](CC(=O)Nc1cccc([C@H](C)[NH3+])c1)C(C)(C)C ZINC000104446636 186004870 /nfs/dbraw/zinc/00/48/70/186004870.db2.gz KXIGCNUWEJWSCP-NEPJUHHUSA-N 1 0 262.397 3.717 10 0 CHAERO CC[NH2+]Cc1cc(C)c(OCC2CCCC2)c(C)c1 ZINC000110091388 186284677 /nfs/dbraw/zinc/28/46/77/186284677.db2.gz LUFKHULMAFFCRX-UHFFFAOYSA-N 1 0 261.409 3.982 10 0 CHAERO CC[NH2+]C[C@]1(Cc2cccc(F)c2)C[C@H]2CC[C@@H]1C2 ZINC000110195510 186288052 /nfs/dbraw/zinc/28/80/52/186288052.db2.gz SLKJOUCWXVPHJC-UXLLHSPISA-N 1 0 261.384 3.784 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccc2ccccc2c1 ZINC000083511093 535264337 /nfs/dbraw/zinc/26/43/37/535264337.db2.gz MSJLOICCESRSND-KDOFPFPSSA-N 1 0 268.404 3.663 10 0 CHAERO Cc1sc2nc(C)nc(N[C@H](C)CCCC[NH3+])c2c1C ZINC000336836933 335046781 /nfs/dbraw/zinc/04/67/81/335046781.db2.gz XWZZPLFBIYNMMJ-SECBINFHSA-N 1 0 292.452 3.546 10 0 CHAERO CC(C)(C)c1ccc([C@@H](N)C[NH+]2CCCCCC2)cc1 ZINC000019982369 184535321 /nfs/dbraw/zinc/53/53/21/184535321.db2.gz ZUOWEKXQDDUOIJ-KRWDZBQOSA-N 1 0 274.452 3.860 10 0 CHAERO CCC1CCC(C[NH3+])(N2CCCc3ccccc32)CC1 ZINC000021505117 184536185 /nfs/dbraw/zinc/53/61/85/184536185.db2.gz VBKZOTSUMJWIJP-UHFFFAOYSA-N 1 0 272.436 3.737 10 0 CHAERO CC[C@@H]1CN(c2ccccc2C(C)C)[C@H](CC)C[NH2+]1 ZINC000083441602 135021410 /nfs/dbraw/zinc/02/14/10/135021410.db2.gz FVDYSKJWJJYBCS-HUUCEWRRSA-N 1 0 260.425 3.777 10 0 CHAERO CC(C)c1ccccc1N1C[C@H](C(C)C)[NH2+]C[C@H]1C ZINC000083441490 135021495 /nfs/dbraw/zinc/02/14/95/135021495.db2.gz MMWCJOJHSPUQFC-GDBMZVCRSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@@H]1CN(c2ccc(C)c(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083441809 135022009 /nfs/dbraw/zinc/02/20/09/135022009.db2.gz WNBLVDNHXKAUIV-WBVHZDCISA-N 1 0 260.425 3.516 10 0 CHAERO CC(C)[C@H]1CN(c2ccc3ccccc3c2)[C@@H](C)C[NH2+]1 ZINC000083511071 135025147 /nfs/dbraw/zinc/02/51/47/135025147.db2.gz BSPFIUMWGCMBLL-KBXCAEBGSA-N 1 0 268.404 3.663 10 0 CHAERO CC[C@H]1CN(c2cccc3ccccc32)[C@@H](CC)C[NH2+]1 ZINC000083511080 135025750 /nfs/dbraw/zinc/02/57/50/135025750.db2.gz DQKHPXQQGDYQBZ-HOTGVXAUSA-N 1 0 268.404 3.807 10 0 CHAERO CC[C@@H]1CN(c2c(Cl)cccc2Cl)[C@H](C)C[NH2+]1 ZINC000083536451 135027580 /nfs/dbraw/zinc/02/75/80/135027580.db2.gz CSXKDJDCGQGELU-NXEZZACHSA-N 1 0 273.207 3.570 10 0 CHAERO CCc1ccccc1N1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000083542123 135028800 /nfs/dbraw/zinc/02/88/00/135028800.db2.gz MXBISTKQTWBAHK-FUHWJXTLSA-N 1 0 274.452 3.708 10 0 CHAERO C[NH2+]CCC[C@]1(C)c2ccccc2N(c2ccccc2)C1=O ZINC000002015641 169767845 /nfs/dbraw/zinc/76/78/45/169767845.db2.gz HBGWAZBZXJBYQD-LJQANCHMSA-N 1 0 294.398 3.622 10 0 in-man CHAERO C[NH2+]CCc1nc(-c2cccc3ccccc32)cs1 ZINC000003708502 169908516 /nfs/dbraw/zinc/90/85/16/169908516.db2.gz RAANGLRBAXSDFH-UHFFFAOYSA-N 1 0 268.385 3.725 10 0 CHAERO Clc1ccc2c(c1)N1CCC[NH+]=C1N2Cc1ccccc1 ZINC000005331661 170086402 /nfs/dbraw/zinc/08/64/02/170086402.db2.gz GDSSOAHMENUFCF-UHFFFAOYSA-N 1 0 297.789 3.926 10 0 CHAERO CC[N+]1=C(c2ccccc2)C(c2ccccc2)=NC1(C)C ZINC000005337601 170087234 /nfs/dbraw/zinc/08/72/34/170087234.db2.gz OOJWGQKUFPQTBX-UHFFFAOYSA-N 1 0 277.391 3.747 10 0 CHAERO COc1ccccc1[C@H](c1ccccc1)[n+]1ccccc1 ZINC000005362008 170089593 /nfs/dbraw/zinc/08/95/93/170089593.db2.gz FLUKCVHRLHKDIK-IBGZPJMESA-N 1 0 276.359 3.620 10 0 CHAERO CCO[C@@H](C(=[NH2+])NCCc1ccccc1)c1ccccc1 ZINC000005650865 170124259 /nfs/dbraw/zinc/12/42/59/170124259.db2.gz FBQYYIUDWWKDTB-QGZVFWFLSA-N 1 0 282.387 3.574 10 0 CHAERO C[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000005722496 170133138 /nfs/dbraw/zinc/13/31/38/170133138.db2.gz VWTWHSKDUBSPQE-SFHVURJKSA-N 1 0 251.373 3.850 10 0 CHAERO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3 ZINC000005833961 170145490 /nfs/dbraw/zinc/14/54/90/170145490.db2.gz WZJSIHGOLMMBAL-INIZCTEOSA-N 1 0 279.383 3.925 10 0 in-vitro CHAERO CC[C@@H](O)C(C[C@H](C)[NH2+]C)(c1ccccc1)c1ccccc1 ZINC000005924348 170155699 /nfs/dbraw/zinc/15/56/99/170155699.db2.gz KYHAUJGXNUJCTC-QFBILLFUSA-N 1 0 297.442 3.742 10 0 CHAERO Cc1cc(C)c(Cn2ccnc2C[NH2+]CC(C)C)c(C)c1 ZINC000006690198 170226416 /nfs/dbraw/zinc/22/64/16/170226416.db2.gz VSBQGRYBXHVGEG-UHFFFAOYSA-N 1 0 285.435 3.602 10 0 CHAERO CC(C)(C)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000007781926 170302209 /nfs/dbraw/zinc/30/22/09/170302209.db2.gz CPDIHBKWDFETPC-UHFFFAOYSA-N 1 0 288.435 3.799 10 0 CHAERO CC(C)[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000010435876 170407048 /nfs/dbraw/zinc/40/70/48/170407048.db2.gz WQGQDCTTZBKTRK-UHFFFAOYSA-N 1 0 273.351 3.903 10 0 CHAERO [NH3+][C@H](Cc1cccs1)Cc1ccc(Cl)cc1 ZINC000011599896 170425181 /nfs/dbraw/zinc/42/51/81/170425181.db2.gz STQKTHLGNOFMIA-LBPRGKRZSA-N 1 0 251.782 3.514 10 0 CHAERO CCc1ccc(C[C@H]([NH3+])c2cccc(OC)c2)cc1 ZINC000011603072 170425964 /nfs/dbraw/zinc/42/59/64/170425964.db2.gz JLPFSPZRMPUSLH-KRWDZBQOSA-N 1 0 255.361 3.500 10 0 CHAERO COc1cccc([C@@H]([NH3+])Cc2ccccc2Cl)c1 ZINC000011603794 170426130 /nfs/dbraw/zinc/42/61/30/170426130.db2.gz AEYABAYBQWOXLK-HNNXBMFYSA-N 1 0 261.752 3.591 10 0 CHAERO Cc1ccccc1COc1ccc(Cl)cc1C[NH3+] ZINC000011891057 170454601 /nfs/dbraw/zinc/45/46/01/170454601.db2.gz JIVAWBWRPRWLQP-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO CC(C)c1ccccc1OC[C@H]([NH3+])c1ccccc1 ZINC000019254968 170758744 /nfs/dbraw/zinc/75/87/44/170758744.db2.gz YZYSHVSVXQGMPX-INIZCTEOSA-N 1 0 255.361 3.889 10 0 CHAERO Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH3+])c2)c(C)c1 ZINC000019257926 170760285 /nfs/dbraw/zinc/76/02/85/170760285.db2.gz RQACELKOLVYPPX-ZDUSSCGKSA-N 1 0 268.360 3.575 10 0 CHAERO Cc1cccc(O[C@H](C[NH3+])c2ccccc2F)c1C ZINC000019671765 170835968 /nfs/dbraw/zinc/83/59/68/170835968.db2.gz JQOAMCIIKSGBMV-MRXNPFEDSA-N 1 0 259.324 3.521 10 0 CHAERO C[NH2+]CCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000019777819 170861337 /nfs/dbraw/zinc/86/13/37/170861337.db2.gz YGXHDONVLXSQAG-UHFFFAOYSA-N 1 0 263.425 3.999 10 0 CHAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000019803561 170872676 /nfs/dbraw/zinc/87/26/76/170872676.db2.gz JQSFTRQHLLELEB-QGZVFWFLSA-N 1 0 272.367 3.660 10 0 CHAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1ccccc1 ZINC000019803585 170872967 /nfs/dbraw/zinc/87/29/67/170872967.db2.gz IMZZSHRSMPMWER-QGZVFWFLSA-N 1 0 254.377 3.521 10 0 CHAERO CC(C)c1cccc(OCc2ccc(C(N)=[NH2+])cc2F)c1 ZINC000019808809 170877626 /nfs/dbraw/zinc/87/76/26/170877626.db2.gz BUOARIRLNLXBAK-UHFFFAOYSA-N 1 0 286.350 3.812 10 0 CHAERO CC(C)c1ccc(NC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000019809767 170878371 /nfs/dbraw/zinc/87/83/71/170878371.db2.gz RFLAMTYRUWVUCB-HYVNUMGLSA-N 1 0 286.419 3.669 10 0 CHAERO NC(=[NH2+])c1ccc(Sc2ccccc2Cl)cc1 ZINC000019866440 170899781 /nfs/dbraw/zinc/89/97/81/170899781.db2.gz NQLBTWDQVICBQA-UHFFFAOYSA-N 1 0 262.765 3.775 10 0 CHAERO CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000019903054 170914848 /nfs/dbraw/zinc/91/48/48/170914848.db2.gz YUDJYBLSKGFDNC-NWDGAFQWSA-N 1 0 251.370 3.543 10 0 CHAERO C[C@@H](NCC(C)(C)C[NH+](C)C)c1nc2ccccc2s1 ZINC000019905866 170917146 /nfs/dbraw/zinc/91/71/46/170917146.db2.gz URCQANAIBZZJKC-GFCCVEGCSA-N 1 0 291.464 3.535 10 0 CHAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1ccccn1 ZINC000019916459 170925647 /nfs/dbraw/zinc/92/56/47/170925647.db2.gz QIJRPOAMNPDOKT-XIRDDKMYSA-N 1 0 260.425 3.675 10 0 CHAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000019945522 170936434 /nfs/dbraw/zinc/93/64/34/170936434.db2.gz RBSQAUPPCHMWOT-WOSRLPQWSA-N 1 0 277.408 3.933 10 0 CHAERO CCOc1ccc([C@H]([NH3+])C(CC)CC)cc1OCC ZINC000019967785 170949291 /nfs/dbraw/zinc/94/92/91/170949291.db2.gz PDCJOWVFXQIPMS-MRXNPFEDSA-N 1 0 265.397 3.920 10 0 CHAERO CCN(C[C@@H]1CCCC[NH2+]1)c1cccc2ccccc21 ZINC000020013331 170968974 /nfs/dbraw/zinc/96/89/74/170968974.db2.gz MUSJWWUHEVGRGY-INIZCTEOSA-N 1 0 268.404 3.808 10 0 CHAERO NC(=[NH2+])c1ccccc1Sc1ccc(Cl)cc1 ZINC000020076922 170984833 /nfs/dbraw/zinc/98/48/33/170984833.db2.gz MFAGLDMQTRZVTO-UHFFFAOYSA-N 1 0 262.765 3.775 10 0 CHAERO COc1cc(C[NH2+][C@H](C)c2ccccc2Cl)ccc1O ZINC000020123973 171005889 /nfs/dbraw/zinc/00/58/89/171005889.db2.gz UGXODEKSJGCKJM-LLVKDONJSA-N 1 0 291.778 3.905 10 0 CHAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccccc1F ZINC000020129354 171017314 /nfs/dbraw/zinc/01/73/14/171017314.db2.gz CAMYMHRMZJKSBW-RDTXWAMCSA-N 1 0 286.394 3.779 10 0 CHAERO Fc1ccc(C[NH2+][C@H]2CCc3ccccc32)c(F)c1 ZINC000020129645 171017894 /nfs/dbraw/zinc/01/78/94/171017894.db2.gz IXQBTZDAOLFZMY-INIZCTEOSA-N 1 0 259.299 3.742 10 0 CHAERO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000020130034 171018681 /nfs/dbraw/zinc/01/86/81/171018681.db2.gz RHPJUSONSUDWHK-SJORKVTESA-N 1 0 265.356 3.787 10 0 CHAERO C[C@H]([NH2+]C(C1CC1)C1CC1)c1c(F)cccc1F ZINC000020130905 171019965 /nfs/dbraw/zinc/01/99/65/171019965.db2.gz IRNHRHNPFNPXEP-VIFPVBQESA-N 1 0 251.320 3.804 10 0 CHAERO C[C@@H](C[NH2+][C@H](C)c1ccc(O)cc1)c1ccccc1 ZINC000020137084 171024466 /nfs/dbraw/zinc/02/44/66/171024466.db2.gz UTNUMIUVWHJLMG-UONOGXRCSA-N 1 0 255.361 3.847 10 0 CHAERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(N)c1 ZINC000020192461 171058021 /nfs/dbraw/zinc/05/80/21/171058021.db2.gz WEDTZRNDARMQHZ-LBPRGKRZSA-N 1 0 252.789 3.687 10 0 CHAERO C=COCCC[NH2+]Cc1ccc(OCCCC)cc1 ZINC000020197717 171061936 /nfs/dbraw/zinc/06/19/36/171061936.db2.gz YNPWGDBQOQFZQT-UHFFFAOYSA-N 1 0 263.381 3.505 10 0 CHAERO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000020204871 171070699 /nfs/dbraw/zinc/07/06/99/171070699.db2.gz JGAVKABQXWCRJI-LSDHHAIUSA-N 1 0 269.344 3.770 10 0 CHAERO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1Br ZINC000020206727 171071438 /nfs/dbraw/zinc/07/14/38/171071438.db2.gz OOPBOOGRNSHMKO-GYSYKLTISA-N 1 0 298.224 3.667 10 0 CHAERO CCc1ccc(OC[C@@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000020221669 171083360 /nfs/dbraw/zinc/08/33/60/171083360.db2.gz CEGYJTCEAOFLAO-OAHLLOKOSA-N 1 0 275.436 3.925 10 0 CHAERO Cc1cccc([C@@H](C[NH3+])N(C)Cc2ccccc2Cl)c1 ZINC000020225497 171088380 /nfs/dbraw/zinc/08/83/80/171088380.db2.gz FGUWSVPVZKSYOV-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO CN(Cc1ccccc1Cl)[C@H](C[NH3+])c1ccccc1F ZINC000020225607 171088550 /nfs/dbraw/zinc/08/85/50/171088550.db2.gz PBVXZNHAYXYATK-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO CC(C)c1ccc(N(CC[NH3+])Cc2cccs2)cc1 ZINC000020238949 171097094 /nfs/dbraw/zinc/09/70/94/171097094.db2.gz DKFXHJICICUQPU-UHFFFAOYSA-N 1 0 274.433 3.837 10 0 CHAERO C[C@@H]([NH3+])c1ccccc1OCc1ccc2ncccc2c1 ZINC000020247943 171100899 /nfs/dbraw/zinc/10/08/99/171100899.db2.gz VTVFQNWRPDTOAU-CYBMUJFWSA-N 1 0 278.355 3.834 10 0 CHAERO Cc1ccc(C[N@@H+](C)Cc2ccc(N)c(C)c2)cc1 ZINC000020264693 171122224 /nfs/dbraw/zinc/12/22/24/171122224.db2.gz BFVBUJBCDRCPFF-UHFFFAOYSA-N 1 0 254.377 3.518 10 0 CHAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1cccc2cccnc21 ZINC000020296818 171137100 /nfs/dbraw/zinc/13/71/00/171137100.db2.gz DYYAZVDJKSUBSA-KGLIPLIRSA-N 1 0 258.365 3.520 10 0 CHAERO Cc1cc(C)c(C)c(Oc2ccc(C(N)=[NH2+])cc2)c1 ZINC000020425601 171192286 /nfs/dbraw/zinc/19/22/86/171192286.db2.gz FOFVOMBEUWLXLP-UHFFFAOYSA-N 1 0 254.333 3.688 10 0 CHAERO Cc1ccsc1[C@H]([NH3+])Cc1nc2ccccc2s1 ZINC000020428136 171193576 /nfs/dbraw/zinc/19/35/76/171193576.db2.gz ZYZDUPROTOMSPQ-SNVBAGLBSA-N 1 0 274.414 3.909 10 0 CHAERO [NH3+][C@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000020429056 171194310 /nfs/dbraw/zinc/19/43/10/171194310.db2.gz PMWGNZVFAXRYBH-CYBMUJFWSA-N 1 0 267.159 3.631 10 0 CHAERO CC(C)Oc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000020434881 171200412 /nfs/dbraw/zinc/20/04/12/171200412.db2.gz PQMXSBKUGUFBPD-KRWDZBQOSA-N 1 0 255.361 3.716 10 0 CHAERO [NH2+]=C1CCCN1c1ccccc1Cc1ccccc1 ZINC000020444059 171205693 /nfs/dbraw/zinc/20/56/93/171205693.db2.gz DZSNCXKQXIKSSK-UHFFFAOYSA-N 1 0 250.345 3.855 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccccc2Br)cc1 ZINC000020469847 171211827 /nfs/dbraw/zinc/21/18/27/171211827.db2.gz GVTCXGFRYKXPJK-UHFFFAOYSA-N 1 0 278.149 3.700 10 0 CHAERO COc1ccc(F)cc1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000020470552 171212258 /nfs/dbraw/zinc/21/22/58/171212258.db2.gz LLIIWLPPLUEHSB-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO [NH3+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000020470281 171212483 /nfs/dbraw/zinc/21/24/83/171212483.db2.gz CAIJESGRWCKKDR-UHFFFAOYSA-N 1 0 278.149 3.700 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2cccc(F)c2)cc1Cl ZINC000020521864 171235147 /nfs/dbraw/zinc/23/51/47/171235147.db2.gz CNUGUJSTNMVRBL-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO CCC[NH2+]CCCOc1ccc(C)cc1Br ZINC000020524960 171237629 /nfs/dbraw/zinc/23/76/29/171237629.db2.gz SNEDHDSVDZARAE-UHFFFAOYSA-N 1 0 286.213 3.526 10 0 CHAERO CC[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000020525383 171238262 /nfs/dbraw/zinc/23/82/62/171238262.db2.gz WKYCYVTXMKZDBQ-UHFFFAOYSA-N 1 0 255.361 3.732 10 0 CHAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CCCCCCC1 ZINC000020545799 171243755 /nfs/dbraw/zinc/24/37/55/171243755.db2.gz XTJFYZDJLXLRAD-HNNXBMFYSA-N 1 0 266.816 3.606 10 0 CHAERO CC(C)c1ccc([C@H](CN)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020548670 171245932 /nfs/dbraw/zinc/24/59/32/171245932.db2.gz OBPJVJGSPLPUOH-RKVPGOIHSA-N 1 0 274.452 3.788 10 0 CHAERO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020557937 171250751 /nfs/dbraw/zinc/25/07/51/171250751.db2.gz CZXJRXGJEZYALA-OWCLPIDISA-N 1 0 266.473 3.665 10 0 CHAERO [NH3+][C@H]1c2ccccc2C[C@H]1Oc1ccccc1C(F)(F)F ZINC000020563856 171253215 /nfs/dbraw/zinc/25/32/15/171253215.db2.gz HAGRLYNELFYYBN-CABCVRRESA-N 1 0 293.288 3.709 10 0 CHAERO C[C@@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2F)[C@@H]1C ZINC000020565011 171253530 /nfs/dbraw/zinc/25/35/30/171253530.db2.gz VTEZYVFOBPZBAZ-HFAKWTLXSA-N 1 0 253.336 3.879 10 0 CHAERO COc1ccc(Br)cc1[C@@H]([NH3+])CC(C)(C)C ZINC000020586729 171259511 /nfs/dbraw/zinc/25/95/11/171259511.db2.gz LFNJAWYKUMOEBT-NSHDSACASA-N 1 0 286.213 3.894 10 0 CHAERO Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000020595845 171264255 /nfs/dbraw/zinc/26/42/55/171264255.db2.gz LJOMTNZZITYZCQ-IBGZPJMESA-N 1 0 280.415 3.990 10 0 CHAERO Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595755 171264464 /nfs/dbraw/zinc/26/44/64/171264464.db2.gz AZWBZWTYGXIDDG-SFHVURJKSA-N 1 0 266.388 3.681 10 0 CHAERO Fc1ccc(F)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595813 171264564 /nfs/dbraw/zinc/26/45/64/171264564.db2.gz GYPVGTMBDJIEDY-OAHLLOKOSA-N 1 0 288.341 3.651 10 0 CHAERO Cc1n[nH]c(CCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1C ZINC000020868212 171276873 /nfs/dbraw/zinc/27/68/73/171276873.db2.gz BNNFWJNVWXBBIK-SFHVURJKSA-N 1 0 298.434 3.581 10 0 CHAERO CCCOc1ccccc1C[NH2+]Cc1ccccc1 ZINC000020924291 171279819 /nfs/dbraw/zinc/27/98/19/171279819.db2.gz WBTKYKDVOQRLER-UHFFFAOYSA-N 1 0 255.361 3.765 10 0 CHAERO CCCOc1ccc(C[NH2+]Cc2ccncc2)cc1Cl ZINC000020925708 171280342 /nfs/dbraw/zinc/28/03/42/171280342.db2.gz BOWZXJMIACNPKZ-UHFFFAOYSA-N 1 0 290.794 3.814 10 0 CHAERO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928397 171280569 /nfs/dbraw/zinc/28/05/69/171280569.db2.gz FTRYGFZDUBDSHR-MRVPVSSYSA-N 1 0 262.180 3.890 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2ccc(C)cc2C)cc1 ZINC000021010806 171286722 /nfs/dbraw/zinc/28/67/22/171286722.db2.gz VKDGLJLGIKXZLF-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2ccc(C)cc2C)cc1 ZINC000021010805 171286794 /nfs/dbraw/zinc/28/67/94/171286794.db2.gz VKDGLJLGIKXZLF-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO CCOc1ccccc1O[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000021011529 171287231 /nfs/dbraw/zinc/28/72/31/171287231.db2.gz QIASXGNQYSSYTL-ZIAGYGMSSA-N 1 0 263.381 3.514 10 0 CHAERO CC[C@@H](C)C[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000021012552 171288103 /nfs/dbraw/zinc/28/81/03/171288103.db2.gz CHXSPNUEKREPTK-WBVHZDCISA-N 1 0 262.441 3.705 10 0 CHAERO CC[C@@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1cc(C)ccc1OC ZINC000021030139 171291547 /nfs/dbraw/zinc/29/15/47/171291547.db2.gz GORSDKLCBNDMHW-DJIMGWMZSA-N 1 0 291.435 3.989 10 0 CHAERO Cc1ccc([C@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000021058333 171296225 /nfs/dbraw/zinc/29/62/25/171296225.db2.gz HUSIHZYHMPNIIL-HLLBOEOZSA-N 1 0 260.425 3.566 10 0 CHAERO CCc1ccc([C@H](N)C[N@H+](C)C2CCCCC2)cc1 ZINC000021058105 171296554 /nfs/dbraw/zinc/29/65/54/171296554.db2.gz JZJAGVGZNPPOJZ-QGZVFWFLSA-N 1 0 260.425 3.513 10 0 CHAERO CCOCCO[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021060064 171296918 /nfs/dbraw/zinc/29/69/18/171296918.db2.gz ZSRUVLPJECZKJF-JKSUJKDBSA-N 1 0 271.445 3.650 10 0 CHAERO CCc1ccc([C@@H]([NH3+])COC2CCC(C)CC2)cc1 ZINC000021500661 171304993 /nfs/dbraw/zinc/30/49/93/171304993.db2.gz IPARDVCTONVBGP-IMRCBTMISA-N 1 0 261.409 3.844 10 0 CHAERO CCCOc1ccc(C[NH2+]CCCOCC(C)C)cc1 ZINC000021502365 171305689 /nfs/dbraw/zinc/30/56/89/171305689.db2.gz UIDUZRGOAJJOAW-UHFFFAOYSA-N 1 0 279.424 3.628 10 0 CHAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc(OCC)c(OCC)c1 ZINC000021505761 171307585 /nfs/dbraw/zinc/30/75/85/171307585.db2.gz TWTQGWQFFKUGOK-MLGOLLRUSA-N 1 0 265.397 3.920 10 0 CHAERO COc1cccc(OC[C@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000021507159 171308472 /nfs/dbraw/zinc/30/84/72/171308472.db2.gz VTVGOEFKPQOKCF-KRWDZBQOSA-N 1 0 285.387 3.699 10 0 CHAERO CCOc1ccc([C@H]([NH3+])COc2c(C)cccc2C)cc1 ZINC000021515360 171311908 /nfs/dbraw/zinc/31/19/08/171311908.db2.gz RHWANFYKOGCORY-QGZVFWFLSA-N 1 0 285.387 3.781 10 0 CHAERO CC(C)CC[C@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000021514877 171312057 /nfs/dbraw/zinc/31/20/57/171312057.db2.gz IEIOMESVALJAIP-JKSUJKDBSA-N 1 0 254.462 3.521 10 0 CHAERO C[C@H]([NH3+])c1cc(F)ccc1N1CCCCCCC1 ZINC000021518553 171314519 /nfs/dbraw/zinc/31/45/19/171314519.db2.gz NKQUCDWJBRVBCE-LBPRGKRZSA-N 1 0 250.361 3.616 10 0 CHAERO CCc1ccc([C@H]([NH3+])COc2cc(C)ccc2C)cc1 ZINC000021518288 171314643 /nfs/dbraw/zinc/31/46/43/171314643.db2.gz MLFLUCJCZWFARZ-QGZVFWFLSA-N 1 0 269.388 3.945 10 0 CHAERO [NH3+]C[C@@H](c1cccc(Cl)c1)N1CCCCCCC1 ZINC000021518601 171314681 /nfs/dbraw/zinc/31/46/81/171314681.db2.gz ZPWWJMYOGDWPSR-HNNXBMFYSA-N 1 0 266.816 3.606 10 0 CHAERO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC000021518974 171314797 /nfs/dbraw/zinc/31/47/97/171314797.db2.gz JTMRHKBOXZWLCW-WFASDCNBSA-N 1 0 268.832 3.577 10 0 CHAERO C=COCCC[NH2+]Cc1ccc(OCCCCC)cc1 ZINC000021520645 171316125 /nfs/dbraw/zinc/31/61/25/171316125.db2.gz UCRGDJUTROZFGK-UHFFFAOYSA-N 1 0 277.408 3.895 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@@H]1Oc1cccc2ccccc21 ZINC000021800286 171325688 /nfs/dbraw/zinc/32/56/88/171325688.db2.gz QHYAHVDIMILDDO-WBVHZDCISA-N 1 0 255.361 3.879 10 0 CHAERO CCC[NH+](CCC)C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000021807729 171328202 /nfs/dbraw/zinc/32/82/02/171328202.db2.gz QOFWIRZCWMTEND-QGZVFWFLSA-N 1 0 262.441 3.932 10 0 CHAERO [NH3+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Oc1ccccc1 ZINC000021812240 171329645 /nfs/dbraw/zinc/32/96/45/171329645.db2.gz HKZIXNDMXQQEDV-JQHSSLGASA-N 1 0 267.372 3.729 10 0 CHAERO [NH3+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1Oc1ccccc1 ZINC000021812239 171329710 /nfs/dbraw/zinc/32/97/10/171329710.db2.gz HKZIXNDMXQQEDV-NJAFHUGGSA-N 1 0 267.372 3.729 10 0 CHAERO COc1cc(C)ccc1O[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021814418 171331634 /nfs/dbraw/zinc/33/16/34/171331634.db2.gz USNXXONUTPATSY-OFQRWUPVSA-N 1 0 291.435 3.925 10 0 CHAERO CCc1ccc(OC[C@@H]([NH3+])c2cc(C)ccc2OC)cc1 ZINC000021817121 171332727 /nfs/dbraw/zinc/33/27/27/171332727.db2.gz MDIPTAIOCATRSP-QGZVFWFLSA-N 1 0 285.387 3.645 10 0 CHAERO CCC1CCC(CN)([NH+]2CCCCCCC2)CC1 ZINC000021817640 171333127 /nfs/dbraw/zinc/33/31/27/171333127.db2.gz BEUUMBUTAQHKBS-UHFFFAOYSA-N 1 0 252.446 3.550 10 0 CHAERO CCCOc1ccc([C@@H](C)[NH2+]C)cc1OCCC ZINC000022143023 171355569 /nfs/dbraw/zinc/35/55/69/171355569.db2.gz RFGWUSGPWJCUCP-GFCCVEGCSA-N 1 0 251.370 3.545 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc(F)cc2F)C1 ZINC000022147604 171357370 /nfs/dbraw/zinc/35/73/70/171357370.db2.gz POQLMTMLICQVSA-YVLXSGLVSA-N 1 0 283.362 3.886 10 0 CHAERO COc1ccc(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000022153325 171360118 /nfs/dbraw/zinc/36/01/18/171360118.db2.gz KIQZUWHHZCZJMM-KCXAZCMYSA-N 1 0 277.408 3.616 10 0 CHAERO COc1cc([C@H](C)[NH3+])ccc1OCc1ccc(C)cc1 ZINC000022209871 171372961 /nfs/dbraw/zinc/37/29/61/171372961.db2.gz SZFUMEJCUJNTPG-ZDUSSCGKSA-N 1 0 271.360 3.602 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000022211135 171373593 /nfs/dbraw/zinc/37/35/93/171373593.db2.gz QSOGCJHIWILZBS-MRXNPFEDSA-N 1 0 259.324 3.815 10 0 CHAERO Cc1ccc(C(C)C)c(Oc2ccc(C[NH3+])cn2)c1 ZINC000022214582 171375113 /nfs/dbraw/zinc/37/51/13/171375113.db2.gz UYQKNSLWFLHYAG-UHFFFAOYSA-N 1 0 256.349 3.764 10 0 CHAERO Cc1cc(C)cc(C(=O)Nc2ccccc2[C@@H](C)[NH3+])c1 ZINC000022222059 171378940 /nfs/dbraw/zinc/37/89/40/171378940.db2.gz NTTYAPHPQQRDPL-CYBMUJFWSA-N 1 0 268.360 3.575 10 0 CHAERO [NH3+][C@H](COc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000022566188 171391818 /nfs/dbraw/zinc/39/18/18/171391818.db2.gz SGDJZOYTNGKMMR-CQSZACIVSA-N 1 0 281.277 3.784 10 0 CHAERO C[NH+](C)CC(C)(C)CNc1nc2cc(Cl)ccc2s1 ZINC000034652163 171847072 /nfs/dbraw/zinc/84/70/72/171847072.db2.gz GLTPCXBUJGGPLA-UHFFFAOYSA-N 1 0 297.855 3.949 10 0 CHAERO C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000034652778 171847676 /nfs/dbraw/zinc/84/76/76/171847676.db2.gz KMVDTFXFPPRJTM-UHFFFAOYSA-N 1 0 282.206 3.897 10 0 CHAERO C[C@H]([NH2+]C1[C@H](C)CCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000034995895 171924530 /nfs/dbraw/zinc/92/45/30/171924530.db2.gz SPOXTWGVEMZVCE-CDJKEZFESA-N 1 0 289.419 3.933 10 0 CHAERO c1coc(COCCC[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000035163343 172025063 /nfs/dbraw/zinc/02/50/63/172025063.db2.gz RBDOPKIVJNAUFH-UHFFFAOYSA-N 1 0 289.419 3.601 10 0 CHAERO Cc1cc(C)c([C@@H]([NH3+])CN(C)Cc2ccccc2)c(C)c1 ZINC000035206604 172050736 /nfs/dbraw/zinc/05/07/36/172050736.db2.gz IRSIJKSQUXLQKU-SFHVURJKSA-N 1 0 282.431 3.744 10 0 CHAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000035258121 172089745 /nfs/dbraw/zinc/08/97/45/172089745.db2.gz PEKMDTGHNUNXPU-RYUDHWBXSA-N 1 0 261.287 3.799 10 0 CHAERO Cc1cc([C@@H]([NH3+])c2ccc(Br)cc2)c(C)o1 ZINC000035379584 172162105 /nfs/dbraw/zinc/16/21/05/172162105.db2.gz MCZSENRCCAQPCC-ZDUSSCGKSA-N 1 0 280.165 3.707 10 0 CHAERO [NH3+][C@@H](c1ccc(Br)o1)c1ccc2c(c1)CCC2 ZINC000035381300 172163645 /nfs/dbraw/zinc/16/36/45/172163645.db2.gz ONKPJDAWHWIBQZ-CQSZACIVSA-N 1 0 292.176 3.579 10 0 CHAERO Cc1ccc([C@H]([NH3+])c2ccc(Br)o2)c(C)c1 ZINC000035381013 172163921 /nfs/dbraw/zinc/16/39/21/172163921.db2.gz VZRKIWBIJNVPCS-ZDUSSCGKSA-N 1 0 280.165 3.707 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccsc2)cc1Br ZINC000035381635 172164320 /nfs/dbraw/zinc/16/43/20/172164320.db2.gz ALRKMDCGUZXLHI-LBPRGKRZSA-N 1 0 298.205 3.567 10 0 CHAERO COc1ccc(Br)cc1[C@H]([NH3+])c1cccs1 ZINC000035381730 172164393 /nfs/dbraw/zinc/16/43/93/172164393.db2.gz VLGFTMACZSNQTC-LBPRGKRZSA-N 1 0 298.205 3.567 10 0 CHAERO Cc1ccc([C@H]([NH3+])c2ccc(Br)o2)cc1C ZINC000035381768 172164663 /nfs/dbraw/zinc/16/46/63/172164663.db2.gz CYARTTIHEUQYOC-ZDUSSCGKSA-N 1 0 280.165 3.707 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccc(C)s2)cc1Cl ZINC000035381594 172164705 /nfs/dbraw/zinc/16/47/05/172164705.db2.gz UECOMJGDVOUGAK-CYBMUJFWSA-N 1 0 267.781 3.767 10 0 CHAERO CC(C)(C)[C@H]([NH3+])c1nc2cc(Cl)ccc2s1 ZINC000035411274 172182776 /nfs/dbraw/zinc/18/27/76/172182776.db2.gz KDQIQZQOAMNPRS-SNVBAGLBSA-N 1 0 254.786 3.996 10 0 CHAERO C[C@H]([NH3+])c1ccc2ccccc2c1OCc1ccncc1 ZINC000035427359 172194538 /nfs/dbraw/zinc/19/45/38/172194538.db2.gz FRJFYXDSWUULFQ-ZDUSSCGKSA-N 1 0 278.355 3.834 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@H]1CCCC[C@H]1C ZINC000035438996 172202731 /nfs/dbraw/zinc/20/27/31/172202731.db2.gz KQYBBXHAZWCAGJ-GYSYKLTISA-N 1 0 251.345 3.803 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(Br)c1)C1CCC1 ZINC000035455767 172206802 /nfs/dbraw/zinc/20/68/02/172206802.db2.gz NMHBDEZUZDHWFR-ZDUSSCGKSA-N 1 0 284.197 3.518 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1cc2c(s1)CCC2 ZINC000035458693 172207856 /nfs/dbraw/zinc/20/78/56/172207856.db2.gz VJTPVNARISQNSE-CQSZACIVSA-N 1 0 263.431 3.916 10 0 CHAERO C[NH2+][C@H](c1ccccc1)c1cccc(OC(F)F)c1 ZINC000035464897 172212335 /nfs/dbraw/zinc/21/23/35/172212335.db2.gz CTOHBONHQDCUPV-CQSZACIVSA-N 1 0 263.287 3.597 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000035464587 172212571 /nfs/dbraw/zinc/21/25/71/172212571.db2.gz WOKSTEMOIUPVFG-OAHLLOKOSA-N 1 0 261.752 3.657 10 0 CHAERO C[NH2+][C@@H](c1ccccc1)c1cc(F)ccc1Br ZINC000035465356 172213201 /nfs/dbraw/zinc/21/32/01/172213201.db2.gz FKZYVEHMZIKZMZ-AWEZNQCLSA-N 1 0 294.167 3.897 10 0 CHAERO CCOc1ccc([C@@H]([NH2+]C)c2cc(C)oc2C)cc1 ZINC000035466385 172213616 /nfs/dbraw/zinc/21/36/16/172213616.db2.gz CXCUDHVXSZWNBL-MRXNPFEDSA-N 1 0 259.349 3.604 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1c(F)cc(F)cc1F ZINC000035469385 172219828 /nfs/dbraw/zinc/21/98/28/172219828.db2.gz HDDRCSUNSXBIRM-LBPRGKRZSA-N 1 0 271.307 3.783 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1ccc(Br)s1 ZINC000035487841 172223142 /nfs/dbraw/zinc/22/31/42/172223142.db2.gz UHQDETSLSDYDPJ-SNVBAGLBSA-N 1 0 288.235 3.881 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc2c(c1)CCC2 ZINC000035496789 172230317 /nfs/dbraw/zinc/23/03/17/172230317.db2.gz UAASHBDFCPJOQJ-OAHLLOKOSA-N 1 0 257.402 3.854 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(OC)cc(OC)c1 ZINC000035498362 172231880 /nfs/dbraw/zinc/23/18/80/172231880.db2.gz VOGQUGPCNHLFHW-CQSZACIVSA-N 1 0 297.807 3.728 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035498417 172232083 /nfs/dbraw/zinc/23/20/83/172232083.db2.gz XRUNOONDJVBDEI-LBPRGKRZSA-N 1 0 255.745 3.849 10 0 CHAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)C1CCCC1 ZINC000035501287 172235739 /nfs/dbraw/zinc/23/57/39/172235739.db2.gz IKCXHDIBYZSREB-HNNXBMFYSA-N 1 0 283.799 3.808 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504385 172238154 /nfs/dbraw/zinc/23/81/54/172238154.db2.gz DIUBXBPLLQZGAH-IAQYHMDHSA-N 1 0 273.401 3.689 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)c(F)c1)C1CCCCC1 ZINC000035507872 172240988 /nfs/dbraw/zinc/24/09/88/172240988.db2.gz VTABBNMQDDIRBA-OAHLLOKOSA-N 1 0 251.345 3.675 10 0 CHAERO CC[NH2+][C@H](c1ccoc1)c1ccc(Br)cc1 ZINC000035538775 172245757 /nfs/dbraw/zinc/24/57/57/172245757.db2.gz LMEBVSCLZCVLID-ZDUSSCGKSA-N 1 0 280.165 3.741 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccccc1OC ZINC000035541111 172248138 /nfs/dbraw/zinc/24/81/38/172248138.db2.gz FLWVNPPRSLLPOG-QGZVFWFLSA-N 1 0 255.361 3.703 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(OCC)cc1 ZINC000035541191 172248993 /nfs/dbraw/zinc/24/89/93/172248993.db2.gz FECNQFXJPQVBEF-INIZCTEOSA-N 1 0 259.349 3.686 10 0 CHAERO CC[NH2+][C@H](c1ccc2c(c1)OCCCO2)[C@H](C)CC ZINC000035541549 172249441 /nfs/dbraw/zinc/24/94/41/172249441.db2.gz MURZZERHXUUYNV-WBMJQRKESA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(OC)cc1C ZINC000035542994 172250614 /nfs/dbraw/zinc/25/06/14/172250614.db2.gz JXCDUXMMDBYIMA-INIZCTEOSA-N 1 0 259.349 3.604 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc(C)c(OC)c1 ZINC000035545434 172253380 /nfs/dbraw/zinc/25/33/80/172253380.db2.gz HQNDFFRUASMCJI-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(F)c(F)c1 ZINC000035548573 172257014 /nfs/dbraw/zinc/25/70/14/172257014.db2.gz CCPYATCEQPDDQG-CQSZACIVSA-N 1 0 251.276 3.565 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1ccc2c(c1)CCC2 ZINC000035551177 172258683 /nfs/dbraw/zinc/25/86/83/172258683.db2.gz NRCKVHYSKBZMMZ-MRXNPFEDSA-N 1 0 257.402 3.936 10 0 CHAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(OC)c(F)c1 ZINC000035572181 172268010 /nfs/dbraw/zinc/26/80/10/172268010.db2.gz YVYVLNVDCLJSTA-AWEZNQCLSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@H](c1cc(Br)ccc1OC)C1CC1 ZINC000035572686 172269373 /nfs/dbraw/zinc/26/93/73/172269373.db2.gz DGBIGRQGFFFIMS-AWEZNQCLSA-N 1 0 298.224 3.908 10 0 CHAERO CCC[NH2+][C@@H](c1cccs1)c1ccccc1OC ZINC000035581276 172277352 /nfs/dbraw/zinc/27/73/52/172277352.db2.gz ODSYXCCHZCCTKA-OAHLLOKOSA-N 1 0 261.390 3.846 10 0 CHAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(F)cc1F ZINC000035581878 172278555 /nfs/dbraw/zinc/27/85/55/172278555.db2.gz HDPLPZNNCBXPML-AWEZNQCLSA-N 1 0 251.276 3.647 10 0 CHAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000035582510 172280007 /nfs/dbraw/zinc/28/00/07/172280007.db2.gz ADXZVAMOMPPZRI-LLVKDONJSA-N 1 0 267.241 3.958 10 0 CHAERO CCC[NH2+][C@@H](c1ccoc1C)c1ccc(F)c(F)c1 ZINC000035582367 172280065 /nfs/dbraw/zinc/28/00/65/172280065.db2.gz INKDSGSQMUNZMA-OAHLLOKOSA-N 1 0 265.303 3.955 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@@H]1C[C@@H]1C ZINC000035598566 172287803 /nfs/dbraw/zinc/28/78/03/172287803.db2.gz RNSJOVLKTIMDQJ-NVBFEUDRSA-N 1 0 251.345 3.531 10 0 CHAERO CCC[C@@H](C)C(=O)Nc1ccc([C@H](C)[NH2+]CC)cc1 ZINC000035635052 172319551 /nfs/dbraw/zinc/31/95/51/172319551.db2.gz WCHLJBQBPKPXDT-OLZOCXBDSA-N 1 0 262.397 3.732 10 0 CHAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)CC(C)(C)C ZINC000035643688 172321373 /nfs/dbraw/zinc/32/13/73/172321373.db2.gz SQZBANCVLVHIRD-GFCCVEGCSA-N 1 0 262.397 3.732 10 0 CHAERO CCC[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000035654193 172330759 /nfs/dbraw/zinc/33/07/59/172330759.db2.gz FHYKLOOAVBLJCA-NSHDSACASA-N 1 0 260.164 3.817 10 0 CHAERO CC[C@H](C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000035662020 172340427 /nfs/dbraw/zinc/34/04/27/172340427.db2.gz ITTSGYOLOPHOHO-QMMMGPOBSA-N 1 0 262.180 3.890 10 0 CHAERO CC[NH2+][C@H](C)c1ccccc1N(C)Cc1ccco1 ZINC000035702184 172369988 /nfs/dbraw/zinc/36/99/88/172369988.db2.gz RVXZQXHAKDFWBU-CYBMUJFWSA-N 1 0 258.365 3.587 10 0 CHAERO [NH3+]Cc1ccc(Oc2cc(Cl)ccc2Cl)nc1 ZINC000035719797 172373848 /nfs/dbraw/zinc/37/38/48/172373848.db2.gz SWEGSCOWDKXIGF-UHFFFAOYSA-N 1 0 269.131 3.639 10 0 CHAERO [NH3+]Cc1ccccc1Sc1ccc2c(c1)CCC2 ZINC000035720268 172375045 /nfs/dbraw/zinc/37/50/45/172375045.db2.gz XRHJDZUKNCVNHY-UHFFFAOYSA-N 1 0 255.386 3.785 10 0 CHAERO [NH3+]Cc1ccc(Sc2cc(Cl)ccc2Cl)nc1 ZINC000035720057 172375054 /nfs/dbraw/zinc/37/50/54/172375054.db2.gz VXSHYFZSNTUFHI-UHFFFAOYSA-N 1 0 285.199 3.998 10 0 CHAERO [NH3+]Cc1cccc(CSc2ccc(F)cc2F)c1 ZINC000035722011 172377816 /nfs/dbraw/zinc/37/78/16/172377816.db2.gz XLHXZKCKMCZSGH-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO [NH3+]Cc1ccc(CSc2ccc(F)cc2)c(F)c1 ZINC000035723564 172378867 /nfs/dbraw/zinc/37/88/67/172378867.db2.gz DOXHMWQCRZOHBR-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO [NH3+]Cc1cccc(CSc2cc(F)ccc2F)c1 ZINC000035724957 172379691 /nfs/dbraw/zinc/37/96/91/172379691.db2.gz JKMCIXXGDHCCET-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO Cc1cccc(C[N@@H+](C[C@@H](O)c2ccccc2)C(C)C)c1 ZINC000036098700 172439463 /nfs/dbraw/zinc/43/94/63/172439463.db2.gz PFHJQVHKCZMNFR-LJQANCHMSA-N 1 0 283.415 3.939 10 0 CHAERO COc1cc(OC)cc(Oc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000036205294 172516662 /nfs/dbraw/zinc/51/66/62/172516662.db2.gz VIBJOOBLCLYYFC-NSHDSACASA-N 1 0 273.332 3.516 10 0 CHAERO Cc1cccc(C2CC([NH2+]CCCOC(C)C)C2)c1 ZINC000036844720 172746542 /nfs/dbraw/zinc/74/65/42/172746542.db2.gz SXTRSQJILQMYSR-UHFFFAOYSA-N 1 0 261.409 3.646 10 0 CHAERO CCCCCN(C)c1cccc(F)c1[C@@H](C)[NH2+]C ZINC000037171805 173005714 /nfs/dbraw/zinc/00/57/14/173005714.db2.gz FQANAHPAQROWBB-GFCCVEGCSA-N 1 0 252.377 3.733 10 0 CHAERO CCc1ccc([C@H](N)[C@H](C)[N@H+](CC)CC(C)C)cc1 ZINC000037223837 173044430 /nfs/dbraw/zinc/04/44/30/173044430.db2.gz HBSZOGHBUKUVFY-WMLDXEAASA-N 1 0 262.441 3.615 10 0 CHAERO Clc1ccc([C@@H]([NH2+]C2CCOCC2)c2ccco2)s1 ZINC000037269636 173081515 /nfs/dbraw/zinc/08/15/15/173081515.db2.gz SYPZTXQNMRVBIK-AWEZNQCLSA-N 1 0 297.807 3.853 10 0 CHAERO CCC[C@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000037301262 173107330 /nfs/dbraw/zinc/10/73/30/173107330.db2.gz KBHIITAJZBXTTQ-NSHDSACASA-N 1 0 283.799 3.780 10 0 CHAERO Cc1ncsc1[C@H](C)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000037318381 173118263 /nfs/dbraw/zinc/11/82/63/173118263.db2.gz WGLNYKQBKQFVOK-VIFPVBQESA-N 1 0 272.377 3.809 10 0 CHAERO CSc1ccc(C(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000037333495 173134559 /nfs/dbraw/zinc/13/45/59/173134559.db2.gz ATJNUGOKJOHJLU-BETUJISGSA-N 1 0 277.433 3.854 10 0 CHAERO Cc1ccc(C)c(C(=O)[C@@H](C)[N@H+](C)C2CCCC2)c1 ZINC000037334790 173135132 /nfs/dbraw/zinc/13/51/32/173135132.db2.gz IVDUDMPRBOBHMK-CQSZACIVSA-N 1 0 259.393 3.749 10 0 CHAERO CC(C)(C)c1nc2cc([C@H]([NH3+])c3ccccc3)ccc2[nH]1 ZINC000037368451 173157717 /nfs/dbraw/zinc/15/77/17/173157717.db2.gz MLVBAQBUPAPISG-MRXNPFEDSA-N 1 0 279.387 3.909 10 0 CHAERO CC[C@@H](C)[C@@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439742 173209377 /nfs/dbraw/zinc/20/93/77/173209377.db2.gz NZAYMQPRHSHBNT-QMTHXVAHSA-N 1 0 263.360 3.802 10 0 CHAERO CCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])CC(C)C ZINC000037440345 173210281 /nfs/dbraw/zinc/21/02/81/173210281.db2.gz VYGTXPPJDBQVGY-NSHDSACASA-N 1 0 265.788 3.756 10 0 CHAERO CCC[NH2+][C@@]1(C(=O)OCC)CCCC[C@H]1C(C)(C)C ZINC000037513479 173244619 /nfs/dbraw/zinc/24/46/19/173244619.db2.gz BTNXVFDIPWMKKZ-BBRMVZONSA-N 1 0 269.429 3.524 10 0 CHAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1ccccc1OC ZINC000037532968 173253682 /nfs/dbraw/zinc/25/36/82/173253682.db2.gz MVHKXXIQPFGHOF-OAHLLOKOSA-N 1 0 275.779 3.852 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccccc1OC ZINC000037532967 173253879 /nfs/dbraw/zinc/25/38/79/173253879.db2.gz MVHKXXIQPFGHOF-HNNXBMFYSA-N 1 0 275.779 3.852 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccccc1C)c1ccccn1 ZINC000037534551 173254361 /nfs/dbraw/zinc/25/43/61/173254361.db2.gz FWSZYGHJJOUEFA-KRWDZBQOSA-N 1 0 254.377 3.673 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000037534539 173254500 /nfs/dbraw/zinc/25/45/00/173254500.db2.gz MXINFXJRKUVGQR-KRWDZBQOSA-N 1 0 254.377 3.673 10 0 CHAERO CCC[NH2+][C@H](CC)c1ccc(OCCCOC)cc1 ZINC000037753495 173677315 /nfs/dbraw/zinc/67/73/15/173677315.db2.gz SRTDTIZPWUYTGB-MRXNPFEDSA-N 1 0 265.397 3.553 10 0 CHAERO CC[C@@H](C)[C@@H](C[NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000037927476 173865938 /nfs/dbraw/zinc/86/59/38/173865938.db2.gz ODPZZLZMYNJKRF-HYVNUMGLSA-N 1 0 261.409 3.585 10 0 CHAERO CCC(C)(C)C1CCC([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000037969758 173918167 /nfs/dbraw/zinc/91/81/67/173918167.db2.gz KVJYDBJLTRGMDR-UHFFFAOYSA-N 1 0 294.483 3.759 10 0 CHAERO CC[C@@H](Cc1cccc(C(F)(F)F)c1)[C@H](C)[NH2+]C ZINC000038004614 173966798 /nfs/dbraw/zinc/96/67/98/173966798.db2.gz KSNHYLHNVWUXCN-JQWIXIFHSA-N 1 0 259.315 3.882 10 0 CHAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(Cl)cc1 ZINC000038009314 173974376 /nfs/dbraw/zinc/97/43/76/173974376.db2.gz FZDKADIBQGAFSF-BLLLJJGKSA-N 1 0 287.790 3.994 10 0 CHAERO C[C@@H](C[NH2+]C1CCCCCCC1)N1CCCCC1 ZINC000038028297 174016110 /nfs/dbraw/zinc/01/61/10/174016110.db2.gz IGQCPNCLCALTAS-HNNXBMFYSA-N 1 0 252.446 3.563 10 0 CHAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cc1 ZINC000038028193 174016218 /nfs/dbraw/zinc/01/62/18/174016218.db2.gz HDTWCMBAJUCDTG-HZPDHXFCSA-N 1 0 274.452 3.774 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cc1C ZINC000038028649 174017742 /nfs/dbraw/zinc/01/77/42/174017742.db2.gz SHEVGKYZHYTENF-SJORKVTESA-N 1 0 274.452 3.828 10 0 CHAERO Cc1ccc([C@H]([NH2+]C[C@@H](C)N2CCCCC2)C2CC2)cc1 ZINC000038029020 174018240 /nfs/dbraw/zinc/01/82/40/174018240.db2.gz NFJHZVSXFPJZPN-APWZRJJASA-N 1 0 286.463 3.910 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c(C)n1 ZINC000038029109 174019401 /nfs/dbraw/zinc/01/94/01/174019401.db2.gz WSDJASGNWUBRFU-CVEARBPZSA-N 1 0 289.467 3.532 10 0 CHAERO Cc1ccccc1[C@@H](C)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032459 174029280 /nfs/dbraw/zinc/02/92/80/174029280.db2.gz AGKUVSKFPVXOBK-CQSZACIVSA-N 1 0 266.388 3.697 10 0 CHAERO [NH3+][C@@H](c1nc2c(cccc2Cl)[nH]1)C1CCCCC1 ZINC000038036854 174036715 /nfs/dbraw/zinc/03/67/15/174036715.db2.gz RXEGMXMDHHRNTP-GFCCVEGCSA-N 1 0 263.772 3.796 10 0 CHAERO CCC[NH2+][C@@H](C)c1c(F)cccc1-n1cc(Cl)cn1 ZINC000038053658 174065031 /nfs/dbraw/zinc/06/50/31/174065031.db2.gz OQBRJXLKZITYHA-JTQLQIEISA-N 1 0 281.762 3.725 10 0 CHAERO CCC[NH2+][C@@H](C)c1ccc(-n2cc(Cl)cn2)c(F)c1 ZINC000038053640 174065340 /nfs/dbraw/zinc/06/53/40/174065340.db2.gz XXTDHTOHWGWIHZ-JTQLQIEISA-N 1 0 281.762 3.725 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1ccc2c(c1)CCCO2 ZINC000038058094 174068958 /nfs/dbraw/zinc/06/89/58/174068958.db2.gz FFPPGAYUWUIZCS-INIZCTEOSA-N 1 0 273.401 3.772 10 0 CHAERO CCOC(=O)CCC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000038064110 174075414 /nfs/dbraw/zinc/07/54/14/174075414.db2.gz XLKAKNJRAIVBPZ-HNNXBMFYSA-N 1 0 263.381 3.543 10 0 CHAERO COc1cccc(-c2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000038071445 174081825 /nfs/dbraw/zinc/08/18/25/174081825.db2.gz OSZGWSIOZMVEIP-UHFFFAOYSA-N 1 0 253.345 3.614 10 0 CHAERO CC[NH2+]Cc1cc(-c2cccc(OC)c2)ccc1F ZINC000038071480 174082072 /nfs/dbraw/zinc/08/20/72/174082072.db2.gz JZEFKURJFJRHHZ-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2cc(F)ccc2OC)cc1 ZINC000038073355 174083248 /nfs/dbraw/zinc/08/32/48/174083248.db2.gz OKKWYVPPJSROGG-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO CC[C@H]([NH3+])c1cccc(-c2cc(F)ccc2OC)c1 ZINC000038073380 174083299 /nfs/dbraw/zinc/08/32/99/174083299.db2.gz MTFFEGYBGDAZIW-HNNXBMFYSA-N 1 0 259.324 3.911 10 0 CHAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)c1ccncc1 ZINC000038077407 174087645 /nfs/dbraw/zinc/08/76/45/174087645.db2.gz SYBCIVBKIIGAAE-QGZVFWFLSA-N 1 0 254.377 3.592 10 0 CHAERO C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)N(C)C ZINC000038087653 174099389 /nfs/dbraw/zinc/09/93/89/174099389.db2.gz RYAZNODMKWGIRP-UAGQMJEPSA-N 1 0 266.473 3.665 10 0 CHAERO c1ccc2c(c1)CCCC[C@H]2[NH2+]CC[C@H]1CCCO1 ZINC000038095359 174108837 /nfs/dbraw/zinc/10/88/37/174108837.db2.gz NBMAPNHPOHVOPM-NVXWUHKLSA-N 1 0 259.393 3.613 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCCO2)cc1C ZINC000038095891 174109369 /nfs/dbraw/zinc/10/93/69/174109369.db2.gz UJWMFZWANVYEAX-HOTGVXAUSA-N 1 0 261.409 3.832 10 0 CHAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(Br)cc2)o1 ZINC000038128460 174131357 /nfs/dbraw/zinc/13/13/57/174131357.db2.gz NNZBVRNZINAUAB-LBPRGKRZSA-N 1 0 280.165 3.593 10 0 CHAERO Cc1ccc([C@@H]([NH3+])Cc2c(F)cccc2Cl)o1 ZINC000038127990 174131514 /nfs/dbraw/zinc/13/15/14/174131514.db2.gz FTZCJCCCPHQYOH-LBPRGKRZSA-N 1 0 253.704 3.623 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1F)c1ccccc1Br ZINC000038129979 174131967 /nfs/dbraw/zinc/13/19/67/174131967.db2.gz LAAULSAQVXFXFK-AWEZNQCLSA-N 1 0 294.167 3.831 10 0 CHAERO Cc1cc(Cl)cc2[nH]c3c(c21)C[C@@H]([NH+](C)C)CC3 ZINC000039214061 174166001 /nfs/dbraw/zinc/16/60/01/174166001.db2.gz SZYWYWSMLKDOEM-NSHDSACASA-N 1 0 262.784 3.549 10 0 CHAERO C[NH+](C)[C@@H]1CCc2[nH]c3cccc(C(F)(F)F)c3c2C1 ZINC000039214059 174166214 /nfs/dbraw/zinc/16/62/14/174166214.db2.gz FVYRZLWDGSNKPI-SECBINFHSA-N 1 0 282.309 3.606 10 0 CHAERO CC(C)Oc1ccc([C@@H](C[NH3+])N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789151 174173577 /nfs/dbraw/zinc/17/35/77/174173577.db2.gz RCKHMPKPWRLGLM-RVKKMQEKSA-N 1 0 290.451 3.737 10 0 CHAERO Clc1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1c1ccccc1O2 ZINC000040135812 174194146 /nfs/dbraw/zinc/19/41/46/174194146.db2.gz DQUCRGAOGUQHJQ-UONOGXRCSA-N 1 0 271.747 3.916 10 0 CHAERO [NH3+][C@@H](c1ccc(Br)s1)C1CCCC1 ZINC000040236147 174211891 /nfs/dbraw/zinc/21/18/91/174211891.db2.gz GNTYOYYVVGXVNR-SNVBAGLBSA-N 1 0 260.200 3.701 10 0 CHAERO C[NH2+]CC[C@H](c1ccc(OC)cc1)C1CCCCC1 ZINC000041352395 174531186 /nfs/dbraw/zinc/53/11/86/174531186.db2.gz ZHBOFUNBICTMTM-KRWDZBQOSA-N 1 0 261.409 3.969 10 0 CHAERO C[NH2+]C[C@H](C)CCOc1cccc(Cl)c1Cl ZINC000041352987 174531654 /nfs/dbraw/zinc/53/16/54/174531654.db2.gz DFOFZXASKYOODN-SECBINFHSA-N 1 0 262.180 3.618 10 0 CHAERO CCCC[C@@H]1[NH2+]CC(C)(C)c2cc(OC)c(OC)cc21 ZINC000041431278 174551588 /nfs/dbraw/zinc/55/15/88/174551588.db2.gz FRPYPRLICZKEQL-AWEZNQCLSA-N 1 0 277.408 3.816 10 0 CHAERO [NH3+]CCc1csc(Cc2ccc(Cl)cc2Cl)n1 ZINC000041463516 174556423 /nfs/dbraw/zinc/55/64/23/174556423.db2.gz DWNUUVSFDXZGKN-UHFFFAOYSA-N 1 0 287.215 3.542 10 0 CHAERO CC[C@@H](C)[C@@H](C)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000042557726 174794119 /nfs/dbraw/zinc/79/41/19/174794119.db2.gz NRQMBJSFCFCKSU-RKDXNWHRSA-N 1 0 251.761 3.879 10 0 CHAERO C[NH2+][C@H](C)c1cc(F)ccc1N(CC(C)C)C1CC1 ZINC000042557668 174794202 /nfs/dbraw/zinc/79/42/02/174794202.db2.gz FMQCADIUSBXWLL-GFCCVEGCSA-N 1 0 264.388 3.731 10 0 CHAERO c1cc(CC[NH2+][C@H]2CSCc3ccccc32)cs1 ZINC000042600163 174816298 /nfs/dbraw/zinc/81/62/98/174816298.db2.gz HJGVFLNJINJEIX-HNNXBMFYSA-N 1 0 275.442 3.868 10 0 CHAERO CC[NH2+][C@H](C)c1ccccc1N(CC)CC(F)(F)F ZINC000042768938 174870688 /nfs/dbraw/zinc/87/06/88/174870688.db2.gz RSGVBJHYNJAMLU-LLVKDONJSA-N 1 0 274.330 3.746 10 0 CHAERO [NH3+]C[C@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000042900491 174905163 /nfs/dbraw/zinc/90/51/63/174905163.db2.gz RCPKIIYIPCHDFN-AWEZNQCLSA-N 1 0 265.328 3.757 10 0 CHAERO [NH3+]C[C@@H](Oc1ccccc1C(F)(F)F)c1ccccc1 ZINC000042899647 174905308 /nfs/dbraw/zinc/90/53/08/174905308.db2.gz HEPYQMWVBZUHFG-CQSZACIVSA-N 1 0 281.277 3.784 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1Cl)c1ccccc1 ZINC000042903200 174906657 /nfs/dbraw/zinc/90/66/57/174906657.db2.gz IAAZZFCTVFTVAD-IAQYHMDHSA-N 1 0 261.752 3.807 10 0 CHAERO Cc1csc(S[C@@H](c2ccc(C)cc2)[C@H](C)[NH3+])n1 ZINC000042912077 174910725 /nfs/dbraw/zinc/91/07/25/174910725.db2.gz IFBWKYSQKTWIES-WCQYABFASA-N 1 0 278.446 3.941 10 0 CHAERO CC[C@H]([NH3+])[C@H](OC1CCCC1)c1ccc(F)cc1 ZINC000042916043 174916201 /nfs/dbraw/zinc/91/62/01/174916201.db2.gz FPTBYRXUWVQYRE-LSDHHAIUSA-N 1 0 251.345 3.563 10 0 CHAERO CCCCCO[C@@H](c1ccc(OC)cc1)[C@@H]([NH3+])CC ZINC000042963931 174928199 /nfs/dbraw/zinc/92/81/99/174928199.db2.gz VSZGVORMRIEGRS-HOTGVXAUSA-N 1 0 265.397 3.680 10 0 CHAERO Cc1cccc([C@H]([C@H](C)N)[NH+]2CCCCCCC2)c1 ZINC000042965846 174929071 /nfs/dbraw/zinc/92/90/71/174929071.db2.gz IXSMOVBOSIYABG-RDJZCZTQSA-N 1 0 260.425 3.649 10 0 CHAERO Cc1cccc([C@H](SCc2ccco2)[C@@H](C)[NH3+])c1 ZINC000042970030 174932929 /nfs/dbraw/zinc/93/29/29/174932929.db2.gz BPJBNZMVNUXKJF-IUODEOHRSA-N 1 0 261.390 3.910 10 0 CHAERO COc1cccc([C@@H](O[C@H](C)CC(C)C)[C@@H](C)[NH3+])c1 ZINC000043030147 174948937 /nfs/dbraw/zinc/94/89/37/174948937.db2.gz MBWNIDLIYTXLID-IOASZLSFSA-N 1 0 265.397 3.535 10 0 CHAERO CCCCS[C@@H](c1cccc(OC)c1)[C@H](C)[NH3+] ZINC000043032683 174949273 /nfs/dbraw/zinc/94/92/73/174949273.db2.gz OUBRKLHAIIUWIK-SMDDNHRTSA-N 1 0 253.411 3.617 10 0 CHAERO CCc1ccccc1O[C@H](C[NH3+])c1ccccc1C ZINC000043040117 174953090 /nfs/dbraw/zinc/95/30/90/174953090.db2.gz BWOCIDXBDVKORK-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO CC[C@H]([NH3+])[C@H](Sc1ccccn1)c1ccccc1C ZINC000043040993 174953142 /nfs/dbraw/zinc/95/31/42/174953142.db2.gz XFAVVFJEBNUDMW-GOEBONIOSA-N 1 0 272.417 3.961 10 0 CHAERO COc1cccc(S[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000043040833 174953197 /nfs/dbraw/zinc/95/31/97/174953197.db2.gz FQEKDXGMIYMJCM-INIZCTEOSA-N 1 0 273.401 3.796 10 0 CHAERO [NH3+]C[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1F ZINC000043049838 174958438 /nfs/dbraw/zinc/95/84/38/174958438.db2.gz FYMMOEOHFLHURK-CQSZACIVSA-N 1 0 283.318 3.896 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OCCOC(C)C)c1ccccc1Cl ZINC000043087673 174963367 /nfs/dbraw/zinc/96/33/67/174963367.db2.gz AMLQGGGBQMLFFH-HUUCEWRRSA-N 1 0 285.815 3.560 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(F)c(F)c1)c1cccs1 ZINC000043111605 174974370 /nfs/dbraw/zinc/97/43/70/174974370.db2.gz AURXNOVMPHRRLU-OCCSQVGLSA-N 1 0 283.343 3.884 10 0 CHAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043476891 175054935 /nfs/dbraw/zinc/05/49/35/175054935.db2.gz AUXLQIXRYRTFGU-ZWNOBZJWSA-N 1 0 253.773 3.714 10 0 CHAERO CCn1c2ccccc2c2cc(CCC[NH3+])ccc21 ZINC000043559448 175065455 /nfs/dbraw/zinc/06/54/55/175065455.db2.gz PLZNSRLZDKQGCR-UHFFFAOYSA-N 1 0 252.361 3.706 10 0 CHAERO [NH3+][C@H](c1ccccc1Br)C1CCCC1 ZINC000043560761 175066266 /nfs/dbraw/zinc/06/62/66/175066266.db2.gz KBVJZUMFSTYCHG-LBPRGKRZSA-N 1 0 254.171 3.639 10 0 CHAERO C[NH2+][C@@H]1CCCC[C@H]1Cc1sccc1Br ZINC000043676324 175088379 /nfs/dbraw/zinc/08/83/79/175088379.db2.gz AQNPDYUMKCGQBQ-GXSJLCMTSA-N 1 0 288.254 3.831 10 0 CHAERO Cc1ccc([C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121722 175143253 /nfs/dbraw/zinc/14/32/53/175143253.db2.gz CIAZBFBNTVVFDO-YQQAZPJKSA-N 1 0 261.409 3.600 10 0 CHAERO O[C@H]1CCCCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000044126140 175144037 /nfs/dbraw/zinc/14/40/37/175144037.db2.gz UFZNLCJSEVPVGE-OALUTQOASA-N 1 0 287.447 3.635 10 0 CHAERO CCC[NH2+]Cc1nc2cc(Cl)ccc2n1CCC ZINC000044623906 175220839 /nfs/dbraw/zinc/22/08/39/175220839.db2.gz YLJSYSKYDRSSCN-UHFFFAOYSA-N 1 0 265.788 3.599 10 0 CHAERO Cc1ccc(C[NH2+]Cc2cn(C)c3ccccc23)cc1 ZINC000045945044 175387511 /nfs/dbraw/zinc/38/75/11/175387511.db2.gz RTRFBZZVUADXBN-UHFFFAOYSA-N 1 0 264.372 3.777 10 0 CHAERO C[C@H]([NH3+])c1csc(Cc2ccc(Br)cc2)n1 ZINC000070839958 176008330 /nfs/dbraw/zinc/00/83/30/176008330.db2.gz ISTPZTRXRQNKDM-QMMMGPOBSA-N 1 0 297.221 3.516 10 0 CHAERO [NH3+]Cc1ccc(Oc2cc(F)ccc2F)c(Cl)c1 ZINC000071166918 176049519 /nfs/dbraw/zinc/04/95/19/176049519.db2.gz IEPAVCHYXJKYJV-UHFFFAOYSA-N 1 0 269.678 3.869 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2ccccc2C(C)(C)C)C1 ZINC000071174510 176053909 /nfs/dbraw/zinc/05/39/09/176053909.db2.gz ALHNFSIKDSFAGU-OAHLLOKOSA-N 1 0 274.452 3.808 10 0 CHAERO [NH3+][C@@H](c1c[nH]c2ccc(Br)cc21)C1CCC1 ZINC000071488233 176189785 /nfs/dbraw/zinc/18/97/85/176189785.db2.gz JKQBLTDNWRIWAQ-CYBMUJFWSA-N 1 0 279.181 3.730 10 0 CHAERO CC(C)Oc1ccc([C@H](CC[NH3+])C(C)C)cc1F ZINC000071574906 176201951 /nfs/dbraw/zinc/20/19/51/176201951.db2.gz JWGLZWNDMGEJHR-CYBMUJFWSA-N 1 0 253.361 3.701 10 0 CHAERO CCCCc1ccc([C@@H](C[NH3+])N2CCCCC2)cc1 ZINC000071587064 176214039 /nfs/dbraw/zinc/21/40/39/176214039.db2.gz NUEUHIWRUWGIMM-QGZVFWFLSA-N 1 0 260.425 3.515 10 0 CHAERO C[NH2+]Cc1c2ccccc2n(Cc2ccccc2)c1C ZINC000071974122 176306445 /nfs/dbraw/zinc/30/64/45/176306445.db2.gz XGYSPWYKVSCDQD-UHFFFAOYSA-N 1 0 264.372 3.717 10 0 CHAERO COc1ccc(Cl)cc1C1(C[NH3+])CC2(C1)CCCC2 ZINC000076474796 177025514 /nfs/dbraw/zinc/02/55/14/177025514.db2.gz KSQDDVGINAJGKL-UHFFFAOYSA-N 1 0 279.811 3.899 10 0 CHAERO CCCc1ccc([C@@H](CC[NH3+])c2ccccn2)cc1 ZINC000076658413 177047087 /nfs/dbraw/zinc/04/70/87/177047087.db2.gz LOHXQSBNAXQJNP-MRXNPFEDSA-N 1 0 254.377 3.515 10 0 CHAERO CCCCN(CC[NH3+])c1c(C)cc(C)cc1Cl ZINC000076659191 177047786 /nfs/dbraw/zinc/04/77/86/177047786.db2.gz FWSSDZFYIFGGJT-UHFFFAOYSA-N 1 0 254.805 3.522 10 0 CHAERO Cc1cccc(OC[C@@H](CC[NH3+])c2ccccc2)c1 ZINC000076660473 177048570 /nfs/dbraw/zinc/04/85/70/177048570.db2.gz GZDASYVMYNWDJE-MRXNPFEDSA-N 1 0 255.361 3.506 10 0 CHAERO [NH3+]CC[C@H](CCc1ccccc1Cl)c1ccncc1 ZINC000076722146 177069880 /nfs/dbraw/zinc/06/98/80/177069880.db2.gz DBKAJPCBJOOOPN-ZDUSSCGKSA-N 1 0 274.795 3.800 10 0 CHAERO Brc1ccc(CC[C@@H]2CCCC[NH2+]2)s1 ZINC000076726067 177071488 /nfs/dbraw/zinc/07/14/88/177071488.db2.gz YIXMKFKVVXOQJZ-VIFPVBQESA-N 1 0 274.227 3.585 10 0 CHAERO CCC[NH2+][C@@H](C)c1csc(COc2ccccc2)n1 ZINC000076784355 177091813 /nfs/dbraw/zinc/09/18/13/177091813.db2.gz HKWQPZNEBHSPOU-LBPRGKRZSA-N 1 0 276.405 3.783 10 0 CHAERO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171646000 335073324 /nfs/dbraw/zinc/07/33/24/335073324.db2.gz MCSZQQNTNGTOJK-KRWDZBQOSA-N 1 0 295.430 3.632 10 0 CHAERO Cc1cccc2c(NC[C@@H](O)C3CCCC3)cc[nH+]c12 ZINC000301674155 227636853 /nfs/dbraw/zinc/63/68/53/227636853.db2.gz PDXIYIWQQNOFTA-MRXNPFEDSA-N 1 0 270.376 3.506 10 0 CHAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC000114201744 228112576 /nfs/dbraw/zinc/11/25/76/228112576.db2.gz APXBUWWJOBXRSV-KRWDZBQOSA-N 1 0 269.392 3.570 10 0 CHAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)[C@@H]1C ZINC000037215069 260074427 /nfs/dbraw/zinc/07/44/27/260074427.db2.gz XQLQPGHPFJBRJD-LUYZLQTOSA-N 1 0 286.419 3.509 10 0 CHAERO C[C@H]([NH3+])c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000037307120 260082962 /nfs/dbraw/zinc/08/29/62/260082962.db2.gz HZFUDWGEXZKQSY-JTQLQIEISA-N 1 0 274.751 3.612 10 0 CHAERO Cc1ccc([C@@H]([NH2+][C@@H](C)CO)c2ccccc2Cl)cc1 ZINC000180651218 260107274 /nfs/dbraw/zinc/10/72/74/260107274.db2.gz QQRIALKWYCUFSI-SUMWQHHRSA-N 1 0 289.806 3.708 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000078462558 260167757 /nfs/dbraw/zinc/16/77/57/260167757.db2.gz IFRRAZSGIDQXJB-LUYZLQTOSA-N 1 0 259.393 3.925 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000080428753 260181090 /nfs/dbraw/zinc/18/10/90/260181090.db2.gz VCPOBSZTLXFLKZ-QEORTHHSSA-N 1 0 274.408 3.874 10 0 CHAERO CCCn1ccc(CNc2cccc(C[NH+](C)C)c2)c1 ZINC000091010775 260264490 /nfs/dbraw/zinc/26/44/90/260264490.db2.gz CJZLINMELFYXLV-UHFFFAOYSA-N 1 0 271.408 3.572 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1ncc(Br)s1)C(C)C ZINC000126472617 260353413 /nfs/dbraw/zinc/35/34/13/260353413.db2.gz KQLPXUBASMZSJW-RKDXNWHRSA-N 1 0 291.258 3.991 10 0 CHAERO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000128476239 260374987 /nfs/dbraw/zinc/37/49/87/260374987.db2.gz XFINKCXLQONRPW-IAGOWNOFSA-N 1 0 283.346 3.926 10 0 CHAERO COCCC(C)(C)C[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000130238334 260393902 /nfs/dbraw/zinc/39/39/02/260393902.db2.gz PIFORNWDUPTZBU-UHFFFAOYSA-N 1 0 275.436 3.893 10 0 CHAERO CC1CCC([N@H+](C)Cc2cccc3c2NCC3)CC1 ZINC000130510047 260396154 /nfs/dbraw/zinc/39/61/54/260396154.db2.gz YAOJBFGLKUBXNN-UHFFFAOYSA-N 1 0 258.409 3.665 10 0 CHAERO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130512562 260396238 /nfs/dbraw/zinc/39/62/38/260396238.db2.gz FZKCPKJMWBNAER-CZUORRHYSA-N 1 0 258.409 3.665 10 0 CHAERO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(c3ccnn3C)CC2)o1 ZINC000092810438 260503075 /nfs/dbraw/zinc/50/30/75/260503075.db2.gz KYACFWISPJGTGL-CJNGLKHVSA-N 1 0 299.418 3.516 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C1CCN(C)CC1)c1ccccc1 ZINC000175171509 261209930 /nfs/dbraw/zinc/20/99/30/261209930.db2.gz FTCJDZNCVUGWGZ-FQEVSTJZSA-N 1 0 294.442 3.768 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@H+](CCCc3ccccc3C)C2)c1 ZINC000175906459 261252095 /nfs/dbraw/zinc/25/20/95/261252095.db2.gz HGUYQSCNSLWXEB-LJQANCHMSA-N 1 0 297.446 3.770 10 0 CHAERO CC(C)N(C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1)C(C)C ZINC000102686024 261271029 /nfs/dbraw/zinc/27/10/29/261271029.db2.gz REXDOHGNDUCWNX-CYBMUJFWSA-N 1 0 296.842 3.636 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000106225663 261323824 /nfs/dbraw/zinc/32/38/24/261323824.db2.gz ZIINSMYQWIMMBP-OAHLLOKOSA-N 1 0 289.810 3.682 10 0 CHAERO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000466426120 261404909 /nfs/dbraw/zinc/40/49/09/261404909.db2.gz OWRXKRZNTIVLFS-AGGWBTHJSA-N 1 0 281.827 3.942 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC000183961299 262002896 /nfs/dbraw/zinc/00/28/96/262002896.db2.gz JRTIZMSWSMHCKD-WBVHZDCISA-N 1 0 295.373 3.751 10 0 CHAERO COc1ccccc1[C@@H](C)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000120421485 262194804 /nfs/dbraw/zinc/19/48/04/262194804.db2.gz ONIOWKCRVIAHAW-CRAIPNDOSA-N 1 0 298.430 3.649 10 0 CHAERO Cc1cc(C[NH2+][C@H](C)COCc2ccccc2)cs1 ZINC000390577374 262221391 /nfs/dbraw/zinc/22/13/91/262221391.db2.gz XHRFJFYDKHIIOB-CYBMUJFWSA-N 1 0 275.417 3.751 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000390581732 262223240 /nfs/dbraw/zinc/22/32/40/262223240.db2.gz JEGONTORZXKQAX-UXLLHSPISA-N 1 0 261.409 3.760 10 0 CHAERO CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000188389988 262293684 /nfs/dbraw/zinc/29/36/84/262293684.db2.gz VLJBRBFRDCLLEE-SWLSCSKDSA-N 1 0 297.826 3.784 10 0 CHAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c(Cl)cccc3Cl)C[C@H]21 ZINC000228471915 262338860 /nfs/dbraw/zinc/33/88/60/262338860.db2.gz FNWJDQXTFDMRIB-UEKVPHQBSA-N 1 0 299.245 3.553 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)CC(C)(C)C1 ZINC000021046752 262374822 /nfs/dbraw/zinc/37/48/22/262374822.db2.gz OMNWDNDJBPJBSQ-QLFBSQMISA-N 1 0 278.440 3.687 10 0 CHAERO COc1cc(C[NH2+][C@H]2CCCc3sccc32)ccc1O ZINC000061330961 262394194 /nfs/dbraw/zinc/39/41/94/262394194.db2.gz XBPMDRDQSFDIKD-ZDUSSCGKSA-N 1 0 289.400 3.630 10 0 CHAERO CC1(C)C[C@H]([NH2+]C2CCSCC2)c2ccccc2O1 ZINC000125575520 262606550 /nfs/dbraw/zinc/60/65/50/262606550.db2.gz IPYHJHIEWIQZQG-AWEZNQCLSA-N 1 0 277.433 3.774 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)[C@@H](C)O1 ZINC000414279552 262835167 /nfs/dbraw/zinc/83/51/67/262835167.db2.gz JMHXZFJJDAKFNH-ZSAUSMIDSA-N 1 0 253.430 3.604 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000293742596 263148626 /nfs/dbraw/zinc/14/86/26/263148626.db2.gz HUFAOJCUKCQDAU-JYYAWHABSA-N 1 0 261.409 3.910 10 0 CHAERO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000226578427 263190489 /nfs/dbraw/zinc/19/04/89/263190489.db2.gz LGKSUQMBFYKACC-SQWLQELKSA-N 1 0 277.408 3.692 10 0 CHAERO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC=CO2)c2ccccc2O1 ZINC000188577146 264224212 /nfs/dbraw/zinc/22/42/12/264224212.db2.gz JNVMLJBPXNTYTN-DZGCQCFKSA-N 1 0 273.376 3.571 10 0 CHAERO Fc1cc(Cl)ccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000189110579 264272477 /nfs/dbraw/zinc/27/24/77/264272477.db2.gz DGCUZSPOHPDCMS-HNNXBMFYSA-N 1 0 293.773 3.929 10 0 CHAERO C[C@H]([NH2+]CC1(C)COC1)c1c(Cl)ccc(F)c1Cl ZINC000094721592 265250333 /nfs/dbraw/zinc/25/03/33/265250333.db2.gz ZXWOVGNBBWHHPN-QMMMGPOBSA-N 1 0 292.181 3.820 10 0 CHAERO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000123214195 268015502 /nfs/dbraw/zinc/01/55/02/268015502.db2.gz PIKRXFGALYVOKM-INIZCTEOSA-N 1 0 285.343 3.542 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000324596311 328760775 /nfs/dbraw/zinc/76/07/75/328760775.db2.gz GZEHJMFNHUCMTI-XJKSGUPXSA-N 1 0 263.425 3.697 10 0 CHAERO C[C@@H]([NH2+][C@H](C)c1cccc(CO)c1)c1cccs1 ZINC000179094937 327799181 /nfs/dbraw/zinc/79/91/81/327799181.db2.gz ZYYMHRJVDUBJFJ-VXGBXAGGSA-N 1 0 261.390 3.652 10 0 CHAERO CC[NH+](CC)CCCN[C@@H](c1ccco1)c1ccccc1 ZINC000019943183 327869493 /nfs/dbraw/zinc/86/94/93/327869493.db2.gz TZBJSFHBIKFJLG-GOSISDBHSA-N 1 0 286.419 3.691 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1ccncc1 ZINC000048261235 328048516 /nfs/dbraw/zinc/04/85/16/328048516.db2.gz FYWZTTSAJWDLGP-HYVNUMGLSA-N 1 0 260.425 3.675 10 0 CHAERO c1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2CCOCC2)cc1 ZINC000111157421 328328333 /nfs/dbraw/zinc/32/83/33/328328333.db2.gz AIZWPHMERNIPGU-MSOLQXFVSA-N 1 0 273.420 3.729 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)C(C)C ZINC000049126812 328341274 /nfs/dbraw/zinc/34/12/74/328341274.db2.gz ABBZFGCAGPNIBH-HIFRSBDPSA-N 1 0 277.408 3.933 10 0 CHAERO c1ccc2c(C[NH2+]CCC3CCCC3)ccnc2c1 ZINC000111728558 328375885 /nfs/dbraw/zinc/37/58/85/328375885.db2.gz GSATXUCLIXIWTI-UHFFFAOYSA-N 1 0 254.377 3.905 10 0 CHAERO c1cc(CC[NH2+]Cc2ccnc3ccccc23)cs1 ZINC000111728562 328375995 /nfs/dbraw/zinc/37/59/95/328375995.db2.gz GGJJICXLZXMQKU-UHFFFAOYSA-N 1 0 268.385 3.629 10 0 CHAERO Cc1cccc(C[NH2+]Cc2ccnc3ccccc23)c1 ZINC000111763400 328377135 /nfs/dbraw/zinc/37/71/35/328377135.db2.gz APWXIWUCZXSQOA-UHFFFAOYSA-N 1 0 262.356 3.833 10 0 CHAERO Fc1ccc(F)c(C[NH2+]Cc2ccnc3ccccc23)c1 ZINC000111763696 328377165 /nfs/dbraw/zinc/37/71/65/328377165.db2.gz WIXMAKJDMHOGIC-UHFFFAOYSA-N 1 0 284.309 3.803 10 0 CHAERO Fc1ccc(C[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000111763214 328377184 /nfs/dbraw/zinc/37/71/84/328377184.db2.gz RRPDSCIAMNGCQV-UHFFFAOYSA-N 1 0 266.319 3.664 10 0 CHAERO CSCCC[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000123615330 328454613 /nfs/dbraw/zinc/45/46/13/328454613.db2.gz XQQAXPXWANWJGQ-GFCCVEGCSA-N 1 0 271.813 3.506 10 0 CHAERO COc1ccccc1C1CC([NH2+][C@@H](C)c2ccncc2)C1 ZINC000036843024 326829144 /nfs/dbraw/zinc/82/91/44/326829144.db2.gz DGFMIPDMUZRFIZ-JEYLPNPQSA-N 1 0 282.387 3.687 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1Cl ZINC000148771048 327000217 /nfs/dbraw/zinc/00/02/17/327000217.db2.gz QKHACGMJYRFGAE-NILFDRSVSA-N 1 0 267.800 3.684 10 0 CHAERO COc1ccc([C@@H](C)Nc2cccnc2C)cc1F ZINC000091495280 327102506 /nfs/dbraw/zinc/10/25/06/327102506.db2.gz URWKISASPLSBCH-SNVBAGLBSA-N 1 0 260.312 3.711 10 0 CHAERO COc1ccc([C@@H]([NH2+]CCCCSC)C2CC2)cc1 ZINC000091343641 327169741 /nfs/dbraw/zinc/16/97/41/327169741.db2.gz HCZBQULJQPIBOJ-INIZCTEOSA-N 1 0 279.449 3.879 10 0 CHAERO CC[C@H](C)[C@@H](C)[NH2+]CCCc1nc2ccccc2n1C ZINC000090050550 327176423 /nfs/dbraw/zinc/17/64/23/327176423.db2.gz QNEVUMBFCPKVIM-UONOGXRCSA-N 1 0 273.424 3.530 10 0 CHAERO COCCC1(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000300414467 332814947 /nfs/dbraw/zinc/81/49/47/332814947.db2.gz MLILZSVDQDVCLH-HRCADAONSA-N 1 0 267.457 3.854 10 0 CHAERO CCCc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1 ZINC000324596309 328760788 /nfs/dbraw/zinc/76/07/88/328760788.db2.gz GZEHJMFNHUCMTI-CJNGLKHVSA-N 1 0 263.425 3.697 10 0 CHAERO COc1ccc([C@@H](C)C[NH2+]CC2(SC)CCC2)cc1 ZINC000193642736 329060268 /nfs/dbraw/zinc/06/02/68/329060268.db2.gz WNIIHQPZMGLEDU-ZDUSSCGKSA-N 1 0 279.449 3.674 10 0 CHAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3cscn3)C2)cc1 ZINC000172550793 329137274 /nfs/dbraw/zinc/13/72/74/329137274.db2.gz JEZXWAKUOFESFB-OCCSQVGLSA-N 1 0 288.416 3.530 10 0 CHAERO COc1cccc(CN2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000172868502 329139530 /nfs/dbraw/zinc/13/95/30/329139530.db2.gz PNWFMCSHSZYFES-OAHLLOKOSA-N 1 0 286.375 3.719 10 0 CHAERO CCCCCC[C@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000173474109 329147248 /nfs/dbraw/zinc/14/72/48/329147248.db2.gz NJRKUGGGTYHLMM-INIZCTEOSA-N 1 0 294.483 3.680 10 0 CHAERO CCc1ccc([C@@H]2CCCCN2Cc2ncc(C)o2)o1 ZINC000173796682 329152371 /nfs/dbraw/zinc/15/23/71/329152371.db2.gz PELZTYKQGSBLQM-AWEZNQCLSA-N 1 0 274.364 3.866 10 0 CHAERO Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c(C)s1 ZINC000178323896 329198886 /nfs/dbraw/zinc/19/88/86/329198886.db2.gz TYEDFBJWYKLACF-MRXNPFEDSA-N 1 0 289.448 3.534 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000178685196 329202144 /nfs/dbraw/zinc/20/21/44/329202144.db2.gz WCTVMPVGQWETLH-MDZLAQPJSA-N 1 0 258.390 3.869 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000179433479 329208552 /nfs/dbraw/zinc/20/85/52/329208552.db2.gz VCSROBICBJHAAP-HYVNUMGLSA-N 1 0 291.435 3.595 10 0 CHAERO COCCC[C@@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000179561777 329209860 /nfs/dbraw/zinc/20/98/60/329209860.db2.gz YPWRPBWPVLCPAU-WBMJQRKESA-N 1 0 265.372 3.608 10 0 CHAERO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000180136194 329213350 /nfs/dbraw/zinc/21/33/50/329213350.db2.gz GPYMWXDYYYPZNX-SWLSCSKDSA-N 1 0 263.429 3.610 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1ccoc1 ZINC000180016347 329214633 /nfs/dbraw/zinc/21/46/33/329214633.db2.gz PKRMXGDVAFEUIL-KBPBESRZSA-N 1 0 270.376 3.554 10 0 CHAERO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(CO)cc2)o1 ZINC000182808384 329242088 /nfs/dbraw/zinc/24/20/88/329242088.db2.gz RHVWQCWWOXCVHU-KRWDZBQOSA-N 1 0 285.387 3.808 10 0 CHAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(C)n1 ZINC000187402388 329357498 /nfs/dbraw/zinc/35/74/98/329357498.db2.gz GEQOXNPNDWRKCW-LLVKDONJSA-N 1 0 276.330 3.827 10 0 CHAERO Cc1nnc([C@H]([NH2+][C@H]2CCC23CCCC3)c2ccccc2)[nH]1 ZINC000189108505 329377737 /nfs/dbraw/zinc/37/77/37/329377737.db2.gz PBOMRFGYESQBBH-JKSUJKDBSA-N 1 0 296.418 3.515 10 0 CHAERO Cc1nnc([C@@H]([NH2+][C@@H]2CCC23CCCC3)c2ccccc2)[nH]1 ZINC000189108484 329378006 /nfs/dbraw/zinc/37/80/06/329378006.db2.gz PBOMRFGYESQBBH-CVEARBPZSA-N 1 0 296.418 3.515 10 0 CHAERO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccccc1F ZINC000245939943 329762996 /nfs/dbraw/zinc/76/29/96/329762996.db2.gz JSHCCAOSRDKAGX-KSZLIROESA-N 1 0 285.362 3.525 10 0 CHAERO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cc(C)ccc1OC ZINC000246531721 329866965 /nfs/dbraw/zinc/86/69/65/329866965.db2.gz VJQDIOTWMBHFHB-HYVNUMGLSA-N 1 0 291.435 3.595 10 0 CHAERO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 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3.634 10 0 CHAERO COCCCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156739427 330745523 /nfs/dbraw/zinc/74/55/23/330745523.db2.gz WFPDDAUQVYWPRH-MRXNPFEDSA-N 1 0 261.409 3.716 10 0 CHAERO CCc1csc([C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000195377436 331172740 /nfs/dbraw/zinc/17/27/40/331172740.db2.gz KIWYECZKXHZADK-LBPRGKRZSA-N 1 0 252.427 3.541 10 0 CHAERO C[C@@H]1CC(C[NH2+]CCc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000459545970 331287050 /nfs/dbraw/zinc/28/70/50/331287050.db2.gz TXNVTMIYMYTTKN-CHWSQXEVSA-N 1 0 281.827 3.676 10 0 CHAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000166464942 331307287 /nfs/dbraw/zinc/30/72/87/331307287.db2.gz HOIWIPWZEUFILG-SECBINFHSA-N 1 0 263.278 3.979 10 0 CHAERO CC[C@@H]1CCC[C@H]([NH2+]CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000466407172 331395371 /nfs/dbraw/zinc/39/53/71/331395371.db2.gz ABAKCJGGIWRBCO-AYDFFVQHSA-N 1 0 253.430 3.748 10 0 CHAERO Cc1ccc(C)c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000466407994 331395495 /nfs/dbraw/zinc/39/54/95/331395495.db2.gz DKFFUMJQJSSWGI-GJZGRUSLSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@H]1CC(C[NH2+]CC2CCCCCC2)C[C@H](C)O1 ZINC000466410157 331395600 /nfs/dbraw/zinc/39/56/00/331395600.db2.gz PAHCXLVNBLKCED-KBPBESRZSA-N 1 0 253.430 3.750 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@H+](CCc1ccc(Cl)cc1)CC2 ZINC000308450957 333031699 /nfs/dbraw/zinc/03/16/99/333031699.db2.gz NSNYWYJZYPDOSM-RDJZCZTQSA-N 1 0 293.838 3.510 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000311332372 333067336 /nfs/dbraw/zinc/06/73/36/333067336.db2.gz IJTKRMVJOKLECI-BBWFWOEESA-N 1 0 263.425 3.502 10 0 CHAERO CC[C@]1(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000214435040 333116799 /nfs/dbraw/zinc/11/67/99/333116799.db2.gz OQEIIMFIOYGFNZ-KBXCAEBGSA-N 1 0 288.435 3.519 10 0 CHAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000219006144 333140108 /nfs/dbraw/zinc/14/01/08/333140108.db2.gz CULPMWJEEYMKHU-NVXWUHKLSA-N 1 0 275.436 3.625 10 0 CHAERO CCCC(CCC)[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186310984 333158511 /nfs/dbraw/zinc/15/85/11/333158511.db2.gz RGVIHZBHMQDTFA-CVEARBPZSA-N 1 0 283.456 3.519 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2(C)C)C12CCOCC2 ZINC000186383788 333160033 /nfs/dbraw/zinc/16/00/33/333160033.db2.gz PRYNMGUDCVPYBQ-OWCLPIDISA-N 1 0 295.467 3.519 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(F)(F)F ZINC000220942275 333171116 /nfs/dbraw/zinc/17/11/16/333171116.db2.gz WSSRFOOVTYZEDZ-WOPDTQHZSA-N 1 0 251.336 3.989 10 0 CHAERO CCC[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000187669414 333173716 /nfs/dbraw/zinc/17/37/16/333173716.db2.gz GLPJRBDCAFTOFI-STQMWFEESA-N 1 0 252.427 3.820 10 0 CHAERO CC(C)[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccccc1Cl ZINC000189330695 333190565 /nfs/dbraw/zinc/19/05/65/333190565.db2.gz BJGAESGDMACVMC-WWGRRREGSA-N 1 0 281.827 3.788 10 0 CHAERO C[C@H](CO)CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000222571185 333197362 /nfs/dbraw/zinc/19/73/62/333197362.db2.gz ZZWWLJNGNWRKRE-KKUMJFAQSA-N 1 0 255.446 3.590 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(Cl)c1Cl ZINC000222693457 333198708 /nfs/dbraw/zinc/19/87/08/333198708.db2.gz JAMFZWRALFQZTC-QWRGUYRKSA-N 1 0 287.234 3.738 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Cl)cc1Cl ZINC000222698446 333199055 /nfs/dbraw/zinc/19/90/55/333199055.db2.gz HVHIIAVYYPLLGG-PWSUYJOCSA-N 1 0 287.234 3.738 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1cscn1 ZINC000224760766 333225181 /nfs/dbraw/zinc/22/51/81/333225181.db2.gz MVVFBIAWVQLWCE-SNPRPXQTSA-N 1 0 266.454 3.736 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1F ZINC000227569057 333286014 /nfs/dbraw/zinc/28/60/14/333286014.db2.gz ARKCQDCBULEMAQ-YSVLISHTSA-N 1 0 279.399 3.988 10 0 CHAERO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccncc1C ZINC000229661110 333307134 /nfs/dbraw/zinc/30/71/34/333307134.db2.gz OIVZTHOVZDZEQN-CQSZACIVSA-N 1 0 270.376 3.640 10 0 CHAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000230045093 333312558 /nfs/dbraw/zinc/31/25/58/333312558.db2.gz AZKJYZSBSYDKBM-RIEGTJTDSA-N 1 0 299.245 3.553 10 0 CHAERO CCSCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000129049342 333740413 /nfs/dbraw/zinc/74/04/13/333740413.db2.gz QAQOGMIZJFLFAW-SNVBAGLBSA-N 1 0 288.254 3.853 10 0 CHAERO Cn1cccc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000131759865 333965819 /nfs/dbraw/zinc/96/58/19/333965819.db2.gz OHTFRIHCFHMWCO-KRWDZBQOSA-N 1 0 268.404 3.828 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]Cc2ccnc3ccccc23)s1 ZINC000134911574 334108089 /nfs/dbraw/zinc/10/80/89/334108089.db2.gz WYVOFBCXBGJPKC-LBPRGKRZSA-N 1 0 283.400 3.851 10 0 CHAERO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000135144536 334117576 /nfs/dbraw/zinc/11/75/76/334117576.db2.gz ZLNZIIFUROXOSS-OCCSQVGLSA-N 1 0 285.362 3.825 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000135304018 334124649 /nfs/dbraw/zinc/12/46/49/334124649.db2.gz GUGKPSRGNKKUNE-ZENOOKHLSA-N 1 0 261.409 3.812 10 0 CHAERO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424352 334129286 /nfs/dbraw/zinc/12/92/86/334129286.db2.gz VTXFSNGSRWRDCW-UIDBIOKJSA-N 1 0 266.473 3.508 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(C)cc1 ZINC000135646889 334135094 /nfs/dbraw/zinc/13/50/94/334135094.db2.gz BZJJUFITNOHGBK-BBWFWOEESA-N 1 0 261.409 3.729 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137080159 334169340 /nfs/dbraw/zinc/16/93/40/334169340.db2.gz JARAJVVAYQJPDQ-RDDDGLTNSA-N 1 0 274.589 3.601 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(O)c2)C12CCCC2 ZINC000247082274 334275401 /nfs/dbraw/zinc/27/54/01/334275401.db2.gz ZHRJCWUKCALUAG-XOKHGSTOSA-N 1 0 289.419 3.781 10 0 CHAERO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)[nH]n1 ZINC000246528286 334263367 /nfs/dbraw/zinc/26/33/67/334263367.db2.gz VEDHCYBLLPYCDX-APHBMKBZSA-N 1 0 277.456 3.844 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccccn1)[C@H](C)C2 ZINC000248419207 334301066 /nfs/dbraw/zinc/30/10/66/334301066.db2.gz USDZLMRQSONSDQ-HBUWYVDXSA-N 1 0 266.388 3.974 10 0 CHAERO CCC[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249255920 334330407 /nfs/dbraw/zinc/33/04/07/334330407.db2.gz GLPJRBDCAFTOFI-CHWSQXEVSA-N 1 0 252.427 3.820 10 0 CHAERO Cc1noc(C)c1C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000249295270 334331642 /nfs/dbraw/zinc/33/16/42/334331642.db2.gz CHLOYPFJMNLMDT-DIOULYMOSA-N 1 0 264.413 3.842 10 0 CHAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000250543682 334345916 /nfs/dbraw/zinc/34/59/16/334345916.db2.gz ZRYSPJLSNKRZPO-RYQLBKOJSA-N 1 0 273.420 3.595 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCOc3ccccc32)C[C@H]1C ZINC000251580032 334364722 /nfs/dbraw/zinc/36/47/22/334364722.db2.gz BYJGUGZRTXYJKY-NYTXWWLZSA-N 1 0 259.393 3.925 10 0 CHAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000252101311 334373782 /nfs/dbraw/zinc/37/37/82/334373782.db2.gz GHXVJLJAGPWIML-CXUGXGMPSA-N 1 0 259.393 3.925 10 0 CHAERO O[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000252858983 334397680 /nfs/dbraw/zinc/39/76/80/334397680.db2.gz JBPNEEDJDCYQIF-SOUVJXGZSA-N 1 0 277.433 3.507 10 0 CHAERO CCC[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000252885478 334398781 /nfs/dbraw/zinc/39/87/81/334398781.db2.gz XYTVDKKUHTURPV-YESZJQIVSA-N 1 0 261.409 3.811 10 0 CHAERO CCCn1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)cn1 ZINC000153068043 334550525 /nfs/dbraw/zinc/55/05/25/334550525.db2.gz RIFGAVHNJDJRGC-INIZCTEOSA-N 1 0 299.418 3.685 10 0 CHAERO C[C@@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000153978475 334684652 /nfs/dbraw/zinc/68/46/52/334684652.db2.gz JPLQJAPLUSGKCJ-JMSVASOKSA-N 1 0 267.800 3.601 10 0 CHAERO CC(C)n1nccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000353944040 335755953 /nfs/dbraw/zinc/75/59/53/335755953.db2.gz JGRHULFWRMYJIK-NEPJUHHUSA-N 1 0 289.345 3.675 10 0 CHAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000381038946 336046342 /nfs/dbraw/zinc/04/63/42/336046342.db2.gz DBGBOFBJYMUORF-HRCADAONSA-N 1 0 262.441 3.531 10 0 CHAERO c1ccc2c(C[NH2+][C@H]3CC34CCCC4)ccnc2c1 ZINC000386916756 336182263 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/nfs/dbraw/zinc/08/79/20/520087920.db2.gz GNYOAOFNGWBNAP-HIFRSBDPSA-N 1 0 267.438 3.920 10 0 CHAERO CCCCOCC[C@H](C[NH2+]C)Cc1ccccc1Cl ZINC000052979555 520795591 /nfs/dbraw/zinc/79/55/91/520795591.db2.gz XPDXYGUDAZJRLK-AWEZNQCLSA-N 1 0 283.843 3.925 10 0 CHAERO CCC(CC)(C[NH2+]CCOC)Cc1ccc(Cl)s1 ZINC000054658970 521441610 /nfs/dbraw/zinc/44/16/10/521441610.db2.gz XXLIKKIGNAESII-UHFFFAOYSA-N 1 0 289.872 3.986 10 0 CHAERO CCCc1nc(N(C)C(C)C)sc1C[NH2+]C(C)(C)C ZINC000054995797 521528766 /nfs/dbraw/zinc/52/87/66/521528766.db2.gz JVYNEDWTHLABKI-UHFFFAOYSA-N 1 0 283.485 3.828 10 0 CHAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000055225553 522344310 /nfs/dbraw/zinc/34/43/10/522344310.db2.gz NAYHODBKFBKXIU-VIFPVBQESA-N 1 0 271.204 3.918 10 0 CHAERO C[NH2+][C@@H](CC1CCOCC1)c1ccc(Cl)cc1F ZINC000062786300 522344366 /nfs/dbraw/zinc/34/43/66/522344366.db2.gz FQDPCDKEYVCESW-AWEZNQCLSA-N 1 0 271.763 3.556 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000050518663 522358592 /nfs/dbraw/zinc/35/85/92/522358592.db2.gz AEJFYURPQXQQBS-CYBMUJFWSA-N 1 0 257.299 3.636 10 0 CHAERO CCc1nc(N(CC)CC(C)C)sc1C[NH2+]C(C)C ZINC000054996303 522380553 /nfs/dbraw/zinc/38/05/53/522380553.db2.gz IOEQDKGQXZMKLS-UHFFFAOYSA-N 1 0 283.485 3.686 10 0 CHAERO CCc1nc(N(C)[C@H](C)CC)sc1C[NH2+]CC(C)C ZINC000054996789 522381375 /nfs/dbraw/zinc/38/13/75/522381375.db2.gz RQFBFHKVMMRTFZ-GFCCVEGCSA-N 1 0 283.485 3.686 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191694585 534044186 /nfs/dbraw/zinc/04/41/86/534044186.db2.gz VIDUDMRWXHNQOD-SVGQVSJJSA-N 1 0 280.618 3.662 10 0 CHAERO CCOc1ccc(O[C@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000019671268 517732722 /nfs/dbraw/zinc/73/27/22/517732722.db2.gz GKVALFLJSXQGTP-MRXNPFEDSA-N 1 0 291.778 3.818 10 0 CHAERO COC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000034995521 518088273 /nfs/dbraw/zinc/08/82/73/518088273.db2.gz BWVANGFBIADCIV-NUEKZKHPSA-N 1 0 253.430 3.750 10 0 CHAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)Sc1ccc(Cl)cc1 ZINC000053592690 518177447 /nfs/dbraw/zinc/17/74/47/518177447.db2.gz SZZBJOAXISCJHK-AAEUAGOBSA-N 1 0 285.840 3.589 10 0 CHAERO [NH3+]Cc1ccc(Br)cc1N1CCCCCCC1 ZINC000036670687 518197479 /nfs/dbraw/zinc/19/74/79/518197479.db2.gz MUESFOOAHFELET-UHFFFAOYSA-N 1 0 297.240 3.678 10 0 CHAERO C/C=C/COc1ccc(C[NH2+]CCC)cc1Br ZINC000062701499 518517552 /nfs/dbraw/zinc/51/75/52/518517552.db2.gz KELWGRSNHYWPJC-HWKANZROSA-N 1 0 298.224 3.904 10 0 CHAERO CC(C)(C)CC[NH2+]CCOc1ccc2c(c1)CCC2 ZINC000053585868 518653365 /nfs/dbraw/zinc/65/33/65/518653365.db2.gz PZYGNCHMYGWGQB-UHFFFAOYSA-N 1 0 261.409 3.580 10 0 CHAERO CC(C)(C)[NH2+]CCCc1cc(F)ccc1Br ZINC000052949485 518754928 /nfs/dbraw/zinc/75/49/28/518754928.db2.gz NFXAUXYKBIFXEX-UHFFFAOYSA-N 1 0 288.204 3.909 10 0 CHAERO CC(C)(C)[C@@H]1CCc2nc(C3([NH3+])CCC3)sc2C1 ZINC000061713552 518947329 /nfs/dbraw/zinc/94/73/29/518947329.db2.gz IGLUTFUZKHECLU-SNVBAGLBSA-N 1 0 264.438 3.632 10 0 CHAERO CC(C)C[C@@H]1[NH2+]CC[C@H]1c1ccc(OC(F)F)cc1 ZINC000054929076 519281864 /nfs/dbraw/zinc/28/18/64/519281864.db2.gz PDMHBIGGTUDGDB-KBPBESRZSA-N 1 0 269.335 3.780 10 0 CHAERO CC(C)C[C@H]1C[N@H+](CC(C)C)[C@H](c2ccccc2)CN1 ZINC000062668297 519414863 /nfs/dbraw/zinc/41/48/63/519414863.db2.gz AXDYBHDXOIMTMK-ROUUACIJSA-N 1 0 274.452 3.704 10 0 CHAERO CC(C)C[C@H]1CN[C@@H](C(C)C)C[N@@H+]1CCc1ccccc1 ZINC000062705173 519415932 /nfs/dbraw/zinc/41/59/32/519415932.db2.gz DEGZBUZTPRTAEV-RBUKOAKNSA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)C[C@H]1[NH2+]CC[C@@H]1c1cccc(OC(C)C)c1 ZINC000054929177 519419430 /nfs/dbraw/zinc/41/94/30/519419430.db2.gz KFOCBSIYOWDCLY-IAGOWNOFSA-N 1 0 261.409 3.965 10 0 CHAERO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2cncnc2)cc1 ZINC000054767377 519451072 /nfs/dbraw/zinc/45/10/72/519451072.db2.gz SBKSONGGGXQOFC-AWEZNQCLSA-N 1 0 269.392 3.526 10 0 CHAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000151353226 519692454 /nfs/dbraw/zinc/69/24/54/519692454.db2.gz NSBPLRJMNGSAIB-BMFZPTHFSA-N 1 0 290.476 3.542 10 0 CHAERO CC(C)C[N@H+](C[C@H]1C[C@H](C(C)C)CCC1=O)C(C)C ZINC000054559310 519717669 /nfs/dbraw/zinc/71/76/69/519717669.db2.gz NBITWJZGRYJNJN-HZPDHXFCSA-N 1 0 267.457 3.994 10 0 CHAERO CC(C)[NH2+]CCC[C@@H](C)Oc1ccccc1Cl ZINC000052664701 519720970 /nfs/dbraw/zinc/72/09/70/519720970.db2.gz COFMBUOPKPLAFD-GFCCVEGCSA-N 1 0 255.789 3.886 10 0 CHAERO CC(C)[NH2+]C[C@H](Oc1ccc(Cl)cc1)C(C)C ZINC000052664904 519724705 /nfs/dbraw/zinc/72/47/05/519724705.db2.gz VJLSNSHDCUJFDB-AWEZNQCLSA-N 1 0 255.789 3.741 10 0 CHAERO CC(C)[NH2+]C[C@H](Oc1ccccc1Cl)C(C)C ZINC000052664452 519724732 /nfs/dbraw/zinc/72/47/32/519724732.db2.gz KDHUWJXNPCXWNK-AWEZNQCLSA-N 1 0 255.789 3.741 10 0 CHAERO CC(C)C[NH2+]C[C@H]1CCN(c2ccc(C(C)C)cc2)C1 ZINC000053010762 519746195 /nfs/dbraw/zinc/74/61/95/519746195.db2.gz AJNBLHYWYRWEGB-MRXNPFEDSA-N 1 0 274.452 3.882 10 0 CHAERO CC(C)CO[C@@]1(C[NH2+]C(C)(C)C)CCC[C@@H](C)C1 ZINC000050504367 519761093 /nfs/dbraw/zinc/76/10/93/519761093.db2.gz MUGQABZXOFMYMP-ZBFHGGJFSA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)C[C@@H](C)[N@H+](C)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025329 519772594 /nfs/dbraw/zinc/77/25/94/519772594.db2.gz DNJKJEBOUSNZOT-HIFRSBDPSA-N 1 0 278.465 3.770 10 0 CHAERO CC(C)[C@@H](C)[NH2+]Cc1cscc1C(F)(F)F ZINC000309414718 519792313 /nfs/dbraw/zinc/79/23/13/519792313.db2.gz YPKYDZUEXYDLCN-MRVPVSSYSA-N 1 0 251.317 3.901 10 0 CHAERO CC(C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000016519081 519792377 /nfs/dbraw/zinc/79/23/77/519792377.db2.gz RAPARMNDAOGNHE-OAHLLOKOSA-N 1 0 296.414 3.926 10 0 CHAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)Oc1cc(F)cc(F)c1 ZINC000054934733 519794808 /nfs/dbraw/zinc/79/48/08/519794808.db2.gz KRIXJLPWNUSTCF-CQSZACIVSA-N 1 0 271.351 3.756 10 0 CHAERO CC(C)[C@@H]1CN(Cc2ccccc2Cl)[C@H](C(C)C)C[NH2+]1 ZINC000062708917 519804637 /nfs/dbraw/zinc/80/46/37/519804637.db2.gz KXLQVFSHKGFSSI-IRXDYDNUSA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@H]1CCc2nc(C3([NH3+])CCCC3)sc2C1 ZINC000054556866 519826047 /nfs/dbraw/zinc/82/60/47/519826047.db2.gz RARBIZVSLZBDON-NSHDSACASA-N 1 0 264.438 3.632 10 0 CHAERO CCCC1CCN([C@@H](c2ccsc2)[C@@H](C)[NH3+])CC1 ZINC000050893030 519903578 /nfs/dbraw/zinc/90/35/78/519903578.db2.gz JFVQVPDFYQRLSO-IUODEOHRSA-N 1 0 266.454 3.649 10 0 CHAERO CCC[NH2+]CCCCO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629126 519912152 /nfs/dbraw/zinc/91/21/52/519912152.db2.gz HTDHTRCDAUTXSU-CABCVRRESA-N 1 0 255.446 3.998 10 0 CHAERO CC[NH2+]CC[C@@H](O)c1ccc(C2CCCCC2)cc1 ZINC000049849861 519928490 /nfs/dbraw/zinc/92/84/90/519928490.db2.gz RJQIXRYDYWDINQ-QGZVFWFLSA-N 1 0 261.409 3.767 10 0 CHAERO CCC[NH2+]C[C@H](CCOCC)Cc1cccc(C)c1 ZINC000052976568 519932803 /nfs/dbraw/zinc/93/28/03/519932803.db2.gz JMJRETPWNKDDIB-QGZVFWFLSA-N 1 0 263.425 3.580 10 0 CHAERO CCC[NH2+]Cc1sc(N(C)C(CC)CC)nc1C ZINC000054997669 519972051 /nfs/dbraw/zinc/97/20/51/519972051.db2.gz AYKCGWJCAXFECL-UHFFFAOYSA-N 1 0 269.458 3.576 10 0 CHAERO CC[NH2+]C[C@H](O[C@H](C)CC(C)C)c1ccc(F)cc1 ZINC000050488945 519974565 /nfs/dbraw/zinc/97/45/65/519974565.db2.gz TWGBBMCCQXZICX-CJNGLKHVSA-N 1 0 267.388 3.928 10 0 CHAERO CCC[NH2+][C@@H](CC1CC1)c1cc(OC)ccc1OC ZINC000049730160 519992348 /nfs/dbraw/zinc/99/23/48/519992348.db2.gz MSJKQEMFKJLDGC-HNNXBMFYSA-N 1 0 263.381 3.545 10 0 CHAERO CCC[NH2+][C@@H](CC1CCOCC1)c1ccccc1F ZINC000062774972 519993498 /nfs/dbraw/zinc/99/34/98/519993498.db2.gz VFQIOQGBJOPRPR-INIZCTEOSA-N 1 0 265.372 3.683 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1F)CC(F)(F)F ZINC000050886190 520013821 /nfs/dbraw/zinc/01/38/21/520013821.db2.gz UYGSWUMJJDWQOQ-NSHDSACASA-N 1 0 281.268 3.828 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(CC)s1)[C@H]1CCCCO1 ZINC000050962382 520015749 /nfs/dbraw/zinc/01/57/49/520015749.db2.gz GNYOAOFNGWBNAP-UKRRQHHQSA-N 1 0 267.438 3.920 10 0 CHAERO CCC[NH2+][C@@H]1CCC[C@@H]1CCCOCC(F)(F)F ZINC000049312852 520020758 /nfs/dbraw/zinc/02/07/58/520020758.db2.gz IUDBXQSBRUKPPT-VXGBXAGGSA-N 1 0 267.335 3.514 10 0 CHAERO CCC[NH2+][C@H](C)c1cnc(N(CC)CC(C)C)s1 ZINC000054902193 520066627 /nfs/dbraw/zinc/06/66/27/520066627.db2.gz TWDNOKTVFAVBIS-GFCCVEGCSA-N 1 0 269.458 3.686 10 0 CHAERO CCCCCCN1CC(C)(C)[NH2+]Cc2ccccc21 ZINC000062657690 520077497 /nfs/dbraw/zinc/07/74/97/520077497.db2.gz XLBKWCYKOHDOGJ-UHFFFAOYSA-N 1 0 260.425 3.955 10 0 CHAERO CCC[NH2+][C@H]1CCN([C@@H](CCC)c2cccs2)C1 ZINC000049545606 520095023 /nfs/dbraw/zinc/09/50/23/520095023.db2.gz CYAXWSWUTMWOFP-KBPBESRZSA-N 1 0 266.454 3.663 10 0 CHAERO CC[NH2+][C@@H](Cc1csc(C)n1)c1cccc(C)c1 ZINC000055295325 520106568 /nfs/dbraw/zinc/10/65/68/520106568.db2.gz DKFGTSVLOYTONV-HNNXBMFYSA-N 1 0 260.406 3.653 10 0 CHAERO CCCNc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000061630690 520161891 /nfs/dbraw/zinc/16/18/91/520161891.db2.gz LAFIKNGQOKXIBC-GFCCVEGCSA-N 1 0 281.831 3.789 10 0 CHAERO CCCCCN(c1ncc([C@@H](C)[NH2+]C)s1)C(C)C ZINC000054908221 520177615 /nfs/dbraw/zinc/17/76/15/520177615.db2.gz RESPARUFERIRCP-GFCCVEGCSA-N 1 0 269.458 3.829 10 0 CHAERO CCCCC[NH2+]C[C@@H](C)N1CCCc2ccccc21 ZINC000053487442 520224331 /nfs/dbraw/zinc/22/43/31/520224331.db2.gz GCXPNCXGNPFDCL-OAHLLOKOSA-N 1 0 260.425 3.608 10 0 CHAERO CCN(CC(C)(C)C[NH2+]C(C)C)c1ccccc1F ZINC000051252978 520396372 /nfs/dbraw/zinc/39/63/72/520396372.db2.gz CYUNDRNJNMYBKO-UHFFFAOYSA-N 1 0 266.404 3.676 10 0 CHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1nccs1 ZINC000130154229 520417138 /nfs/dbraw/zinc/41/71/38/520417138.db2.gz URAGOPNZTWVAMA-OAHLLOKOSA-N 1 0 272.417 3.946 10 0 CHAERO CCCOc1ccc([C@@H]2CC[NH2+][C@@H]2CC(C)C)cc1 ZINC000054929191 520422578 /nfs/dbraw/zinc/42/25/78/520422578.db2.gz LPJXPTHHSAAQGK-DLBZAZTESA-N 1 0 261.409 3.967 10 0 CHAERO CCCOc1ccc([C@@H]2C[C@H]2C[NH2+]CC(C)C)cc1 ZINC000054597953 520422640 /nfs/dbraw/zinc/42/26/40/520422640.db2.gz HZJZOPGAPKZJPV-RDJZCZTQSA-N 1 0 261.409 3.825 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000020140115 520427923 /nfs/dbraw/zinc/42/79/23/520427923.db2.gz XDFZXYYTPJLXIB-AWEZNQCLSA-N 1 0 270.376 3.721 10 0 CHAERO CCCCN(CC)c1nc(C)c(C[NH2+]C(C)(C)C)s1 ZINC000054996097 520484007 /nfs/dbraw/zinc/48/40/07/520484007.db2.gz PJXMUCYYIZZFHH-UHFFFAOYSA-N 1 0 283.485 3.966 10 0 CHAERO CCC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccs1 ZINC000049543993 520777080 /nfs/dbraw/zinc/77/70/80/520777080.db2.gz XZGSOWRNUIUYSG-QWHCGFSZSA-N 1 0 253.411 3.748 10 0 CHAERO CCC[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccs1 ZINC000049543996 520776275 /nfs/dbraw/zinc/77/62/75/520776275.db2.gz XZGSOWRNUIUYSG-CHWSQXEVSA-N 1 0 253.411 3.748 10 0 CHAERO CCC[C@H](CCCOCC(F)(F)F)C[NH2+]C(C)C ZINC000052970247 521089592 /nfs/dbraw/zinc/08/95/92/521089592.db2.gz HMWXRPZWQUAPCA-GFCCVEGCSA-N 1 0 269.351 3.760 10 0 CHAERO CCCc1ccc([C@@H](C[C@H]2CCCO2)[NH2+]CC)cc1 ZINC000055242020 521414108 /nfs/dbraw/zinc/41/41/08/521414108.db2.gz MDCGNJDEEKPMHT-IAGOWNOFSA-N 1 0 261.409 3.859 10 0 CHAERO CCCN(CC1CC1)[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052514323 521627454 /nfs/dbraw/zinc/62/74/54/521627454.db2.gz HCHFWAMYMIZERI-OAHLLOKOSA-N 1 0 254.462 3.521 10 0 CHAERO CC[C@@H](C)COc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000050427399 522003361 /nfs/dbraw/zinc/00/33/61/522003361.db2.gz AIJPJEAGAALGQC-MNOVXSKESA-N 1 0 285.815 3.663 10 0 CHAERO C[NH2+]C[C@H](O[C@H]1CCCC[C@@H]1C)c1ccccc1C ZINC000050491266 522078767 /nfs/dbraw/zinc/07/87/67/522078767.db2.gz MFTBYFAYMDQHLB-XIRDDKMYSA-N 1 0 261.409 3.851 10 0 CHAERO CCc1csc([C@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)n1 ZINC000193845189 522115973 /nfs/dbraw/zinc/11/59/73/522115973.db2.gz CMKZRYGUMCGZDQ-ZFWWWQNUSA-N 1 0 292.448 3.578 10 0 CHAERO CC[C@H](C[NH2+]C(C)(C)C)N(CC)c1ccccc1F ZINC000052512826 522189467 /nfs/dbraw/zinc/18/94/67/522189467.db2.gz XAWCENGXZMKSSK-CYBMUJFWSA-N 1 0 266.404 3.819 10 0 CHAERO CC[C@H](C[NH2+]C1CC1)O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629186 522191729 /nfs/dbraw/zinc/19/17/29/522191729.db2.gz OXUHLOSABCMAFD-CFVMTHIKSA-N 1 0 253.430 3.748 10 0 CHAERO CC[C@H](C[NH2+]CC(C)C)Oc1ccc2c(c1)CCC2 ZINC000052693273 522194990 /nfs/dbraw/zinc/19/49/90/522194990.db2.gz QSDMHORJOIXHLW-MRXNPFEDSA-N 1 0 261.409 3.578 10 0 CHAERO CC[C@H](C[NH2+]CC(C)C)Cc1ccc(F)cc1F ZINC000052974234 522195166 /nfs/dbraw/zinc/19/51/66/522195166.db2.gz FRFJFVSRQBJIRW-LBPRGKRZSA-N 1 0 255.352 3.779 10 0 CHAERO CC[C@H](C[NH2+]CC(C)C)N(C)[C@@H]1CCCC[C@@H]1C ZINC000052546568 522195241 /nfs/dbraw/zinc/19/52/41/522195241.db2.gz QDASUUSMWNLUEF-ARFHVFGLSA-N 1 0 254.462 3.521 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OC1CCC1)c1ccc(Cl)cc1 ZINC000050519219 522338110 /nfs/dbraw/zinc/33/81/10/522338110.db2.gz HWNYTLJNVIMWNX-KBPBESRZSA-N 1 0 253.773 3.688 10 0 CHAERO CC[C@H](N)[C@H](c1cccs1)[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563532 522346972 /nfs/dbraw/zinc/34/69/72/522346972.db2.gz FCOKUFQWJLOUPJ-PWNZVWSESA-N 1 0 266.454 3.647 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(F)cc1C ZINC000055228326 522358477 /nfs/dbraw/zinc/35/84/77/522358477.db2.gz RSSROVDSNQPEBG-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000054440911 522358940 /nfs/dbraw/zinc/35/89/40/522358940.db2.gz HGNGRANMCHXOLT-IRXDYDNUSA-N 1 0 255.361 3.669 10 0 CHAERO C[NH2+][C@@H](Cc1nc(C)cs1)c1cccc(Cl)c1 ZINC000055268321 522364662 /nfs/dbraw/zinc/36/46/62/522364662.db2.gz PXHIDFQNGKWQDI-LBPRGKRZSA-N 1 0 266.797 3.608 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCOC1 ZINC000062231950 522367682 /nfs/dbraw/zinc/36/76/82/522367682.db2.gz BNZUKGJVLDCTEQ-MFKMUULPSA-N 1 0 274.191 3.681 10 0 CHAERO C[NH2+][C@H](C)c1ccc(OCc2cccs2)c(F)c1 ZINC000049585741 522449649 /nfs/dbraw/zinc/44/96/49/522449649.db2.gz TZBXTACLHXPLQU-SNVBAGLBSA-N 1 0 265.353 3.747 10 0 CHAERO CCc1nc([C@H]([NH3+])c2ccc(F)cc2C)sc1C ZINC000050580383 522457905 /nfs/dbraw/zinc/45/79/05/522457905.db2.gz YWYIDOHIXCNMCB-CYBMUJFWSA-N 1 0 264.369 3.510 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1F)c1ccccc1C ZINC000050886083 522473288 /nfs/dbraw/zinc/47/32/88/522473288.db2.gz YSTYGXRDFLCLMI-MRXNPFEDSA-N 1 0 261.315 3.776 10 0 CHAERO CCc1[nH+]c2cc(N)ccc2n1C1CCC(C)CC1 ZINC000052842258 522486603 /nfs/dbraw/zinc/48/66/03/522486603.db2.gz NNKQQHNNBGGGNK-UHFFFAOYSA-N 1 0 257.381 3.932 10 0 CHAERO CC[C@@H](C[NH2+]CC(C)C)N(C)[C@@H]1CCCC[C@@H]1C ZINC000052546567 522548661 /nfs/dbraw/zinc/54/86/61/522548661.db2.gz QDASUUSMWNLUEF-HRCADAONSA-N 1 0 254.462 3.521 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OC1CCC1)c1ccc(Cl)s1 ZINC000050519268 522651051 /nfs/dbraw/zinc/65/10/51/522651051.db2.gz YPCIUCNKORVRQF-SKDRFNHKSA-N 1 0 259.802 3.749 10 0 CHAERO COc1cc([C@@H](C)[NH3+])ccc1OCCC(C)(C)C ZINC000049240451 522901855 /nfs/dbraw/zinc/90/18/55/522901855.db2.gz GMJSCIRLUHHYHK-LLVKDONJSA-N 1 0 251.370 3.530 10 0 CHAERO Cc1cncc(-c2noc([C@H]3CCC[N@@H+]3C3CCCC3)n2)c1 ZINC000333474662 534670133 /nfs/dbraw/zinc/67/01/33/534670133.db2.gz RSIIOILJTMMLBP-OAHLLOKOSA-N 1 0 298.390 3.520 10 0 CHAERO CC[C@H]1CSC(N[C@H](C)c2ccccc2Cl)=[NH+]1 ZINC000049510576 523357622 /nfs/dbraw/zinc/35/76/22/523357622.db2.gz WWDKJIWLIWILJB-ZJUUUORDSA-N 1 0 268.813 3.872 10 0 CHAERO C[N@H+]([C@H](CC(N)=S)c1ccccc1)C1CCCCC1 ZINC000055024488 523625742 /nfs/dbraw/zinc/62/57/42/523625742.db2.gz XXUNREYGJHTPNR-OAHLLOKOSA-N 1 0 276.449 3.668 10 0 CHAERO CC[C@@](CCOC)(C[NH2+]C(C)(C)C)c1ccccc1 ZINC000054659539 523683432 /nfs/dbraw/zinc/68/34/32/523683432.db2.gz SYCXSNYOYPHUOO-QGZVFWFLSA-N 1 0 263.425 3.759 10 0 CHAERO COc1ccc(C)cc1C[C@H]([NH3+])c1cccc(C)c1 ZINC000050706605 523815799 /nfs/dbraw/zinc/81/57/99/523815799.db2.gz BETSWSAOWRSEAJ-INIZCTEOSA-N 1 0 255.361 3.555 10 0 CHAERO COc1ccc(C)cc1[C@H]([NH3+])Cc1cccc(Cl)c1 ZINC000052944559 523860214 /nfs/dbraw/zinc/86/02/14/523860214.db2.gz LWGVTBXMRHWMNW-OAHLLOKOSA-N 1 0 275.779 3.900 10 0 CHAERO CC[C@H](C)C[C@](CC)(C[NH3+])N1Cc2ccccc2C1 ZINC000050910692 523903736 /nfs/dbraw/zinc/90/37/36/523903736.db2.gz SPTWBYOMVXNMBS-WMLDXEAASA-N 1 0 260.425 3.546 10 0 CHAERO CCc1ccc(C[C@](C)(CC)C[NH2+]CCOC)s1 ZINC000054661874 523951343 /nfs/dbraw/zinc/95/13/43/523951343.db2.gz QSARFSZJSTULHQ-HNNXBMFYSA-N 1 0 269.454 3.505 10 0 CHAERO CO[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1Br ZINC000050369708 523981297 /nfs/dbraw/zinc/98/12/97/523981297.db2.gz ABDZHRKOSTWKHN-BPNCWPANSA-N 1 0 298.224 3.667 10 0 CHAERO COc1ccc(Cl)cc1C[C@@]1([NH3+])CCC[C@H](C)C1 ZINC000053752142 524213854 /nfs/dbraw/zinc/21/38/54/524213854.db2.gz BGBKMKYMDFLJQY-XHDPSFHLSA-N 1 0 267.800 3.799 10 0 CHAERO COc1ccc(Cl)cc1[C@H]1CCCC[C@@H]1C[NH3+] ZINC000062625199 524256571 /nfs/dbraw/zinc/25/65/71/524256571.db2.gz MJAGKKLSNXCPBT-PWSUYJOCSA-N 1 0 253.773 3.581 10 0 CHAERO C[C@@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000070137532 524349764 /nfs/dbraw/zinc/34/97/64/524349764.db2.gz MKQXISHPDVVPFD-WBXBSLSUSA-N 1 0 257.421 3.958 10 0 CHAERO Cc1cccc(CN2C[C@@H](C)[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000062671206 524405600 /nfs/dbraw/zinc/40/56/00/524405600.db2.gz FWEJBGRPAJPAPH-VQIMIIECSA-N 1 0 280.415 3.530 10 0 CHAERO Cc1cccc(CSCc2ccccc2C(N)=[NH2+])c1 ZINC000054965772 524460274 /nfs/dbraw/zinc/46/02/74/524460274.db2.gz GCJZAATYSQBWRT-UHFFFAOYSA-N 1 0 270.401 3.712 10 0 CHAERO Cc1cccc(N(C)c2ccc(F)cc2[C@H](C)[NH3+])c1 ZINC000049987276 524521532 /nfs/dbraw/zinc/52/15/32/524521532.db2.gz FODMYDPRMWWNBU-LBPRGKRZSA-N 1 0 258.340 3.922 10 0 CHAERO Cc1ccc(C[C@@H]([NH3+])Cc2ccc(Cl)s2)cc1 ZINC000060704100 524666490 /nfs/dbraw/zinc/66/64/90/524666490.db2.gz XIAVXVMWWVPTKT-GFCCVEGCSA-N 1 0 265.809 3.822 10 0 CHAERO C[C@@H](C[NH2+]C(C)(C)C)Oc1ccc2c(c1)CCCC2 ZINC000052706711 524732580 /nfs/dbraw/zinc/73/25/80/524732580.db2.gz GDDJMCKVBPJSGT-ZDUSSCGKSA-N 1 0 261.409 3.721 10 0 CHAERO Cc1cc(C[NH2+]CC(C)C)cc(C)c1OCC(F)F ZINC000062728554 524753216 /nfs/dbraw/zinc/75/32/16/524753216.db2.gz KPXWFXGLVLEONR-UHFFFAOYSA-N 1 0 271.351 3.693 10 0 CHAERO Cc1ccc(F)c([C@H]([NH3+])c2c(F)cc(F)cc2F)c1 ZINC000052981851 524835225 /nfs/dbraw/zinc/83/52/25/524835225.db2.gz DAYKAQPQHFQIRP-AWEZNQCLSA-N 1 0 269.241 3.600 10 0 CHAERO Cc1ccc(F)c([C@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000052981858 524835583 /nfs/dbraw/zinc/83/55/83/524835583.db2.gz QPYSFSLBPQWGJC-LBPRGKRZSA-N 1 0 255.745 3.897 10 0 CHAERO C[C@@H]1CN(Cc2c(Cl)cccc2Cl)C(C)(C)C[NH2+]1 ZINC000062673239 524981161 /nfs/dbraw/zinc/98/11/61/524981161.db2.gz MWXAOEZAGISYPK-SNVBAGLBSA-N 1 0 287.234 3.566 10 0 CHAERO C[C@H]1Cc2cc([C@H]([NH3+])C3CCCCCC3)ccc2O1 ZINC000053714174 524983214 /nfs/dbraw/zinc/98/32/14/524983214.db2.gz QLLFPIAHFZWSNM-YVEFUNNKSA-N 1 0 259.393 3.980 10 0 CHAERO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC(C)(C)CC1 ZINC000061818312 525006072 /nfs/dbraw/zinc/00/60/72/525006072.db2.gz YOWYOVALUWOSFZ-DOMZBBRYSA-N 1 0 280.843 3.850 10 0 CHAERO Cc1cc(F)ccc1[C@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000050580379 525007187 /nfs/dbraw/zinc/00/71/87/525007187.db2.gz KBQOMKQHZZCFSZ-AWEZNQCLSA-N 1 0 276.380 3.518 10 0 CHAERO COc1ccc(Sc2ccc(C[NH3+])cc2Cl)cc1 ZINC000062793382 525113326 /nfs/dbraw/zinc/11/33/26/525113326.db2.gz PIVFJDMVCVJXTH-UHFFFAOYSA-N 1 0 279.792 3.959 10 0 CHAERO Cc1ccccc1C[N@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000062668207 525134706 /nfs/dbraw/zinc/13/47/06/525134706.db2.gz SLQUJERWVBICOT-KRWDZBQOSA-N 1 0 274.452 3.594 10 0 CHAERO Cc1ccccc1CSc1ccc(C[NH3+])cc1F ZINC000054964253 525186068 /nfs/dbraw/zinc/18/60/68/525186068.db2.gz XGUNDGTWTZWYBS-UHFFFAOYSA-N 1 0 261.365 3.885 10 0 CHAERO Cc1ccccc1N(C)CCC[NH2+]C1CCCCC1 ZINC000053499690 525215600 /nfs/dbraw/zinc/21/56/00/525215600.db2.gz WTBSFYLJTJPAJE-UHFFFAOYSA-N 1 0 260.425 3.744 10 0 CHAERO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000127663101 525349171 /nfs/dbraw/zinc/34/91/71/525349171.db2.gz HNMMPYQPNAVCSN-RHSMWYFYSA-N 1 0 269.392 3.627 10 0 CHAERO Cc1cc(OC2CCC([NH3+])CC2)cc(C)c1Cl ZINC000055144139 525357259 /nfs/dbraw/zinc/35/72/59/525357259.db2.gz RSYSAVDOZMKHOB-UHFFFAOYSA-N 1 0 253.773 3.606 10 0 CHAERO COc1ccc([C@H](C[NH2+]C(C)C)OC(C)(C)C)cc1 ZINC000050483804 525359061 /nfs/dbraw/zinc/35/90/61/525359061.db2.gz VYCFHSQIMVOKBN-HNNXBMFYSA-N 1 0 265.397 3.549 10 0 CHAERO Cc1cc(OCc2occc2C[NH3+])ccc1C(C)C ZINC000052663288 525375423 /nfs/dbraw/zinc/37/54/23/525375423.db2.gz SWSVODBVTAUNDS-UHFFFAOYSA-N 1 0 259.349 3.749 10 0 CHAERO Cc1ccc(O[C@H](c2ccncc2)[C@@H](C)[NH3+])c(Cl)c1 ZINC000054349847 525471818 /nfs/dbraw/zinc/47/18/18/525471818.db2.gz WAUOLOFWFNLKLK-ABAIWWIYSA-N 1 0 276.767 3.511 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)Sc2sccc21)[C@@H]1CCCO1 ZINC000130318206 525587766 /nfs/dbraw/zinc/58/77/66/525587766.db2.gz OTUBDSCDFPYMEV-DJIHRAIXSA-N 1 0 283.462 3.831 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccc1Cl ZINC000049508661 525605231 /nfs/dbraw/zinc/60/52/31/525605231.db2.gz QKHACGMJYRFGAE-CQDKDKBSSA-N 1 0 267.800 3.684 10 0 CHAERO Cc1cc2c(n1[C@@H](C)c1ccsc1)CCC[C@@H]2[NH3+] ZINC000061367116 525622067 /nfs/dbraw/zinc/62/20/67/525622067.db2.gz CIQAUOOULMSJQS-FZMZJTMJSA-N 1 0 260.406 3.803 10 0 CHAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1N(C)C ZINC000093941408 525626594 /nfs/dbraw/zinc/62/65/94/525626594.db2.gz UZSMGJKWZSZAAD-YOEHRIQHSA-N 1 0 296.414 3.927 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050563279 525641332 /nfs/dbraw/zinc/64/13/32/525641332.db2.gz AOFFYUCPGFUYND-WDEREUQCSA-N 1 0 252.789 3.543 10 0 CHAERO C[C@@]1(c2ccccc2C(F)(F)F)C[C@@H]1C[NH2+]C1CC1 ZINC000054596455 525902890 /nfs/dbraw/zinc/90/28/90/525902890.db2.gz RNRGBBBSFWHQAL-QMTHXVAHSA-N 1 0 269.310 3.735 10 0 CHAERO C[C@H](c1cccs1)[N@H+](C)CCc1ccccc1N ZINC000052918537 526152806 /nfs/dbraw/zinc/15/28/06/526152806.db2.gz FDHXORTUXUIFOA-GFCCVEGCSA-N 1 0 260.406 3.566 10 0 CHAERO C[C@H]1CC(C[NH2+]C2CCC3(CC3)CC2)C[C@H](C)O1 ZINC000341487428 526227285 /nfs/dbraw/zinc/22/72/85/526227285.db2.gz PEPOJYKAZFWPEQ-STQMWFEESA-N 1 0 251.414 3.502 10 0 CHAERO Cc1csc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000156980980 526443948 /nfs/dbraw/zinc/44/39/48/526443948.db2.gz BRAADLHFWVXXDW-HNNXBMFYSA-N 1 0 272.417 3.831 10 0 CHAERO c1ccc2c(c1)cccc2COCC[C@H]1CCCC[NH2+]1 ZINC000051862170 526514017 /nfs/dbraw/zinc/51/40/17/526514017.db2.gz VAUKPHNFIZGDAK-QGZVFWFLSA-N 1 0 269.388 3.889 10 0 CHAERO Cc1oc(C[NH2+]C(C)(C)C)cc1COCC(F)(F)F ZINC000052601674 526774946 /nfs/dbraw/zinc/77/49/46/526774946.db2.gz VEKVXUYQJDZDCT-UHFFFAOYSA-N 1 0 279.302 3.555 10 0 CHAERO [NH2+]=C1CCCCN1Cc1cccc(C(F)(F)F)c1 ZINC000049583890 526839726 /nfs/dbraw/zinc/83/97/26/526839726.db2.gz YUKQKCAPKHZXRV-UHFFFAOYSA-N 1 0 256.271 3.669 10 0 CHAERO Cc1nc(Cc2ccccc2)sc1C[NH2+]CC(C)C ZINC000052331200 526927639 /nfs/dbraw/zinc/92/76/39/526927639.db2.gz ITQKBRMORYILNH-UHFFFAOYSA-N 1 0 274.433 3.788 10 0 CHAERO Clc1ccc(N2CC[C@H](C[NH2+]C3CC3)C2)c(Cl)c1 ZINC000053010669 526955823 /nfs/dbraw/zinc/95/58/23/526955823.db2.gz IYWCOPVZTOCFFW-SNVBAGLBSA-N 1 0 285.218 3.572 10 0 CHAERO Clc1ccc(N2CC[C@@H](C[NH2+]C3CC3)C2)c(Cl)c1 ZINC000053010671 526955960 /nfs/dbraw/zinc/95/59/60/526955960.db2.gz IYWCOPVZTOCFFW-JTQLQIEISA-N 1 0 285.218 3.572 10 0 CHAERO [NH3+]C[C@@H](Nc1ccccc1F)c1cccc(Cl)c1 ZINC000057552588 527205604 /nfs/dbraw/zinc/20/56/04/527205604.db2.gz JPLAQNMOCZCHDZ-CQSZACIVSA-N 1 0 264.731 3.591 10 0 CHAERO [NH3+]C[C@@]1(Cc2cccs2)CCCc2ccccc21 ZINC000054637396 527222380 /nfs/dbraw/zinc/22/23/80/527222380.db2.gz SENHADLUAVZREW-INIZCTEOSA-N 1 0 257.402 3.524 10 0 CHAERO [NH3+][C@@H](Cc1ccsc1)C1(c2ccccc2)CCC1 ZINC000062781676 527337487 /nfs/dbraw/zinc/33/74/87/527337487.db2.gz AIAFBCLRFNIVLH-HNNXBMFYSA-N 1 0 257.402 3.740 10 0 CHAERO [NH3+][C@@H](c1ccccc1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054682000 527338637 /nfs/dbraw/zinc/33/86/37/527338637.db2.gz XCSGDKTTZXDNCM-UONOGXRCSA-N 1 0 282.170 3.727 10 0 CHAERO [NH3+][C@@H](c1ccccc1)c1ccccc1OC(F)(F)F ZINC000055206054 527338932 /nfs/dbraw/zinc/33/89/32/527338932.db2.gz JPQLKGFRFAHSKP-ZDUSSCGKSA-N 1 0 267.250 3.633 10 0 CHAERO [NH3+][C@H](Cc1ccc(F)cc1Cl)CC1CCCC1 ZINC000062607891 527388215 /nfs/dbraw/zinc/38/82/15/527388215.db2.gz WHTGMIUTNWCDSM-ZDUSSCGKSA-N 1 0 255.764 3.929 10 0 CHAERO [NH3+][C@H](Cc1cc(F)ccc1F)c1ccccc1Cl ZINC000050438768 527388261 /nfs/dbraw/zinc/38/82/61/527388261.db2.gz KLRCNKCTJPMIHA-CQSZACIVSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)c1cncc(F)c1 ZINC000049576232 527388312 /nfs/dbraw/zinc/38/83/12/527388312.db2.gz LSUNWECATMNCGQ-CYBMUJFWSA-N 1 0 285.149 3.770 10 0 CHAERO [NH3+][C@]1(CCCc2ccccc2)CCc2ccccc21 ZINC000053754317 527422300 /nfs/dbraw/zinc/42/23/00/527422300.db2.gz LQFKTPAPJBUUAA-GOSISDBHSA-N 1 0 251.373 3.810 10 0 CHAERO CCOC[C@@H]1CCCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301692255 528925840 /nfs/dbraw/zinc/92/58/40/528925840.db2.gz XDWRUFDYTLJDDC-OAHLLOKOSA-N 1 0 284.403 3.796 10 0 CHAERO CC(C)c1ccc(N2C[C@H](C(C)C)[NH2+]C[C@H]2C)cc1 ZINC000083441498 535372382 /nfs/dbraw/zinc/37/23/82/535372382.db2.gz PHABLKOFDPOREF-RHSMWYFYSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccccc1Cl ZINC000083493793 535825153 /nfs/dbraw/zinc/82/51/53/535825153.db2.gz RYWSKZXZVQJKGD-TZMCWYRMSA-N 1 0 266.816 3.553 10 0 CHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000725254571 567219517 /nfs/dbraw/zinc/21/95/17/567219517.db2.gz YYLVYXWLUDXXEO-CUOATXAZSA-N 1 0 280.209 3.693 10 0 CHAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(N)ccc1Br ZINC000128346278 567034465 /nfs/dbraw/zinc/03/44/65/567034465.db2.gz ZOFMEQCFXWRAIX-QWRGUYRKSA-N 1 0 297.240 3.794 10 0 CHAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000536951235 566980773 /nfs/dbraw/zinc/98/07/73/566980773.db2.gz OELZWCNCNTZEEB-CYBMUJFWSA-N 1 0 282.225 3.942 10 0 CHAERO CCC[C@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675081164 567028444 /nfs/dbraw/zinc/02/84/44/567028444.db2.gz KLOKOOHVFOETIP-JTQLQIEISA-N 1 0 268.154 3.995 10 0 CHAERO Brc1ccc([C@H]2[NH2+]CCc3ccsc32)cc1 ZINC000084704880 567033393 /nfs/dbraw/zinc/03/33/93/567033393.db2.gz DPLDMXAQACEFEH-GFCCVEGCSA-N 1 0 294.217 3.746 10 0 CHAERO CC1CC[NH+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952587 567209443 /nfs/dbraw/zinc/20/94/43/567209443.db2.gz NSWKPOWLDYDTDY-HNNXBMFYSA-N 1 0 296.455 3.508 10 0 CHAERO Cc1ccc(C[NH2+]C(C)(C)C)c(C)c1Br ZINC000616578369 567212412 /nfs/dbraw/zinc/21/24/12/567212412.db2.gz NMRWDQANZDOEEO-UHFFFAOYSA-N 1 0 270.214 3.954 10 0 CHAERO CC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000057353106 567895139 /nfs/dbraw/zinc/89/51/39/567895139.db2.gz IAPWOWMKSBDFFM-UHFFFAOYSA-N 1 0 282.362 3.938 10 0 CHAERO CC(C)c1cnc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)s1 ZINC000189234808 567938993 /nfs/dbraw/zinc/93/89/93/567938993.db2.gz YVVYQMBCYWZDTB-DOMZBBRYSA-N 1 0 296.480 3.807 10 0 CHAERO C[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000019777218 567944775 /nfs/dbraw/zinc/94/47/75/567944775.db2.gz OYQDUDHOFCFUBH-UHFFFAOYSA-N 1 0 279.742 3.778 10 0 CHAERO C[C@H]1CCC[N@@H+]([C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000685960786 570406796 /nfs/dbraw/zinc/40/67/96/570406796.db2.gz CIYOGAUTLOVPJC-WMLDXEAASA-N 1 0 296.455 3.508 10 0 CHAERO c1csc([C@@H]2CCC[N@@H+](CC3CCCC3)C2)n1 ZINC000195442262 1125562897 /nfs/dbraw/zinc/56/28/97/1125562897.db2.gz OORAEWVRXWOOBT-CYBMUJFWSA-N 1 0 250.411 3.513 10 0 CHAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCCc3c(O)cccc32)cn1 ZINC000191662551 1123178520 /nfs/dbraw/zinc/17/85/20/1123178520.db2.gz AIXXXHHLMQOLGP-INIZCTEOSA-N 1 0 299.418 3.511 10 0 CHAERO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccccc1F)C1CC1 ZINC000104967790 1125456879 /nfs/dbraw/zinc/45/68/79/1125456879.db2.gz WLTPXJDQSDRYRE-STQMWFEESA-N 1 0 292.398 3.663 10 0 CHAERO CCc1nc(-c2ccco2)sc1C[NH2+]CC(C)C ZINC000082424711 177999450 /nfs/dbraw/zinc/99/94/50/177999450.db2.gz HCEVNUPPCQIGCF-UHFFFAOYSA-N 1 0 264.394 3.711 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cccnc2)nc1CCC ZINC000082427249 178002891 /nfs/dbraw/zinc/00/28/91/178002891.db2.gz RJLYJECZESFTMC-UHFFFAOYSA-N 1 0 275.421 3.657 10 0 CHAERO CCCc1nc(CSCC)sc1C[NH2+]C(C)C ZINC000082427774 178003803 /nfs/dbraw/zinc/00/38/03/178003803.db2.gz KKVMPHBUHDKHED-UHFFFAOYSA-N 1 0 272.483 3.847 10 0 CHAERO CCc1ccc(-c2nc(C(C)C)c(C[NH3+])s2)cc1 ZINC000082431305 178008879 /nfs/dbraw/zinc/00/88/79/178008879.db2.gz QMEZFTCKXQKAAC-UHFFFAOYSA-N 1 0 260.406 3.955 10 0 CHAERO Cc1ccc(-c2nc(C(C)(C)C)c(C[NH3+])s2)cc1 ZINC000082439100 178017325 /nfs/dbraw/zinc/01/73/25/178017325.db2.gz LGSUQZMHXHQYAM-UHFFFAOYSA-N 1 0 260.406 3.875 10 0 CHAERO COc1cccc(-c2nc(C(C)(C)C)c(C[NH3+])s2)c1 ZINC000082440456 178018646 /nfs/dbraw/zinc/01/86/46/178018646.db2.gz FPPUSBDHFFGVTR-UHFFFAOYSA-N 1 0 276.405 3.575 10 0 CHAERO C[NH2+]Cc1sc(CCc2ccccc2)nc1C(C)(C)C ZINC000082441172 178020826 /nfs/dbraw/zinc/02/08/26/178020826.db2.gz GIAJUDGPLQPCNM-UHFFFAOYSA-N 1 0 288.460 3.945 10 0 CHAERO CC(C)(C)c1nc(CCc2ccccc2)sc1C[NH3+] ZINC000082441179 178021347 /nfs/dbraw/zinc/02/13/47/178021347.db2.gz UQRWOARLOBKRFA-UHFFFAOYSA-N 1 0 274.433 3.685 10 0 CHAERO COc1ccc(-c2cc([C@H](C)[NH3+])ccc2F)cc1OC ZINC000082708280 178216862 /nfs/dbraw/zinc/21/68/62/178216862.db2.gz ILZGJHQFQNVQJW-JTQLQIEISA-N 1 0 275.323 3.530 10 0 CHAERO Cc1ccc(Br)cc1[C@@H]([NH3+])CC(C)C ZINC000083256140 178371631 /nfs/dbraw/zinc/37/16/31/178371631.db2.gz VAEHOOYRUDNPCY-LBPRGKRZSA-N 1 0 256.187 3.803 10 0 CHAERO CC(C)C[C@H]1[NH2+]CCc2c(Br)cc(F)cc21 ZINC000096807699 185114547 /nfs/dbraw/zinc/11/45/47/185114547.db2.gz ULDXHMTYDFDEEG-CYBMUJFWSA-N 1 0 286.188 3.821 10 0 CHAERO CC(C)C[C@H]1[NH2+]CCc2c(Br)ccc(F)c21 ZINC000096806118 185115026 /nfs/dbraw/zinc/11/50/26/185115026.db2.gz BIVCPWUFDPHNNB-GFCCVEGCSA-N 1 0 286.188 3.821 10 0 CHAERO C[C@@H]([NH3+])c1cc2cc(Br)ccc2s1 ZINC000096884425 185120539 /nfs/dbraw/zinc/12/05/39/185120539.db2.gz FUZDIERRTHIWJD-ZCFIWIBFSA-N 1 0 256.168 3.684 10 0 CHAERO C[C@H]([NH3+])c1cc2cc(Br)ccc2s1 ZINC000096884424 185120687 /nfs/dbraw/zinc/12/06/87/185120687.db2.gz FUZDIERRTHIWJD-LURJTMIESA-N 1 0 256.168 3.684 10 0 CHAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CC)C1CCCCC1 ZINC000167881090 529750092 /nfs/dbraw/zinc/75/00/92/529750092.db2.gz YNGBEBLENMRZGC-GJZGRUSLSA-N 1 0 290.455 3.624 10 0 CHAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC)C1CCCCC1 ZINC000167881214 529750610 /nfs/dbraw/zinc/75/06/10/529750610.db2.gz YNGBEBLENMRZGC-LSDHHAIUSA-N 1 0 290.455 3.624 10 0 CHAERO O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000085685072 179115236 /nfs/dbraw/zinc/11/52/36/179115236.db2.gz JCVCQLAVDTUWJI-KRWDZBQOSA-N 1 0 281.355 3.804 10 0 CHAERO CC1(C)CC[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000086365613 179278042 /nfs/dbraw/zinc/27/80/42/179278042.db2.gz XNFCZMYZYDCZMU-GFCCVEGCSA-N 1 0 268.198 3.552 10 0 CHAERO CC(C)CC[NH2+]CCO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000104005328 185879898 /nfs/dbraw/zinc/87/98/98/185879898.db2.gz MVIGEFKQKVJKTA-HUUCEWRRSA-N 1 0 255.446 3.854 10 0 CHAERO CCN(C[C@@H]1CCCCC[C@@H]1[NH3+])c1cccc(C)c1 ZINC000104013671 185882377 /nfs/dbraw/zinc/88/23/77/185882377.db2.gz DPIUFPAXXQVZOW-RDJZCZTQSA-N 1 0 260.425 3.729 10 0 CHAERO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCC(CCC)CC1 ZINC000103993434 185876731 /nfs/dbraw/zinc/87/67/31/185876731.db2.gz FAXOGXKVJCGWBS-IRXDYDNUSA-N 1 0 266.473 3.809 10 0 CHAERO Cc1cc(Cl)c(C(C)C)cc1OC[C@H]1CCC[NH2+]1 ZINC000104169287 185916368 /nfs/dbraw/zinc/91/63/68/185916368.db2.gz MFNWVVJOSDUZGV-GFCCVEGCSA-N 1 0 267.800 3.903 10 0 CHAERO CCC[NH2+]Cc1c(Cl)cccc1Sc1ncccn1 ZINC000104291935 185956807 /nfs/dbraw/zinc/95/68/07/185956807.db2.gz IPEBBIBCUQDXOU-UHFFFAOYSA-N 1 0 293.823 3.781 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1OC)C[C@@H](C)C(C)(C)C ZINC000104435616 186000977 /nfs/dbraw/zinc/00/09/77/186000977.db2.gz AOOQSOJCCXPRBN-UKRRQHHQSA-N 1 0 263.425 3.898 10 0 CHAERO CC(C)[C@@H]([NH2+]CCOC1CCCC1)c1cccs1 ZINC000104449976 186007093 /nfs/dbraw/zinc/00/70/93/186007093.db2.gz SYPVJGGHSOZDAR-OAHLLOKOSA-N 1 0 267.438 3.994 10 0 CHAERO CC(C)c1ccc2[nH]cc(CCC[NH2+]C3CC3)c2c1 ZINC000107296264 186168541 /nfs/dbraw/zinc/16/85/41/186168541.db2.gz XBBACXIKJKNTEH-UHFFFAOYSA-N 1 0 256.393 3.976 10 0 CHAERO Cc1ccc(Cl)c2[nH]c3c(c21)C[C@@H]([NH+](C)C)CC3 ZINC000169346227 188660332 /nfs/dbraw/zinc/66/03/32/188660332.db2.gz HSZGXOMZBSJJFM-JTQLQIEISA-N 1 0 262.784 3.549 10 0 CHAERO CCC[n+]1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000226773930 189778498 /nfs/dbraw/zinc/77/84/98/189778498.db2.gz PCIUJFZUWFMKST-UHFFFAOYSA-N 1 0 267.352 3.809 10 0 CHAERO CC[C@H]1CN(c2ccc(C(C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC000083441616 135021483 /nfs/dbraw/zinc/02/14/83/135021483.db2.gz CVOWKRSLFOHUHV-HOTGVXAUSA-N 1 0 260.425 3.777 10 0 CHAERO CC[C@@H]1CN(c2ccc(C(C)(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000083441434 135021508 /nfs/dbraw/zinc/02/15/08/135021508.db2.gz DWOVGVJNTLWHQM-UKRRQHHQSA-N 1 0 260.425 3.561 10 0 CHAERO C[C@@H]([NH3+])c1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000003709063 169908821 /nfs/dbraw/zinc/90/88/21/169908821.db2.gz AOSJPGDJIPWCSA-SSDOTTSWSA-N 1 0 272.295 3.849 10 0 CHAERO Oc1cccc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000006096176 170176139 /nfs/dbraw/zinc/17/61/39/170176139.db2.gz HGPMWSZMWSQMKY-GOSISDBHSA-N 1 0 281.399 3.814 10 0 CHAERO COc1cccc([C@@H]([NH3+])Cc2cccc(Cl)c2)c1 ZINC000011603978 170426394 /nfs/dbraw/zinc/42/63/94/170426394.db2.gz XSUBRVDMZPEKSH-HNNXBMFYSA-N 1 0 261.752 3.591 10 0 CHAERO COc1ccccc1O[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000019231230 170756616 /nfs/dbraw/zinc/75/66/16/170756616.db2.gz GITYHEQJKARROL-HEHGZKQESA-N 1 0 277.408 3.616 10 0 CHAERO [NH3+][C@H]1CCC[C@H]1Oc1ccccc1-c1ccccc1 ZINC000019260314 170761941 /nfs/dbraw/zinc/76/19/41/170761941.db2.gz KHDSEHTXZWGQOQ-DOTOQJQBSA-N 1 0 253.345 3.612 10 0 CHAERO CCC(CC)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019516704 170823097 /nfs/dbraw/zinc/82/30/97/170823097.db2.gz PVIIRICGRMJSLV-GFCCVEGCSA-N 1 0 256.187 3.885 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MEBXHYYUBTYHNN-MAUKXSAKSA-N 1 0 268.404 3.640 10 0 CHAERO Cc1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000020135942 171023372 /nfs/dbraw/zinc/02/33/72/171023372.db2.gz XYRABTOGXVFBAL-UHFFFAOYSA-N 1 0 268.385 3.895 10 0 CHAERO CCCC[C@@H]([NH2+]CCCOC)c1ccc(F)cc1 ZINC000020142939 171028756 /nfs/dbraw/zinc/02/87/56/171028756.db2.gz UKFHBEKVBBEBSX-OAHLLOKOSA-N 1 0 253.361 3.683 10 0 CHAERO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccs2)ccc1O ZINC000020148403 171035895 /nfs/dbraw/zinc/03/58/95/171035895.db2.gz NFHNDZLHZPBHDM-QWRGUYRKSA-N 1 0 277.389 3.874 10 0 CHAERO COc1ccc(-c2nc(-c3ccccc3)c(C[NH3+])s2)cc1 ZINC000020184392 171047431 /nfs/dbraw/zinc/04/74/31/171047431.db2.gz YJOVEYOOKPATDS-UHFFFAOYSA-N 1 0 296.395 3.944 10 0 CHAERO C=COCCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000020197347 171061289 /nfs/dbraw/zinc/06/12/89/171061289.db2.gz OILCQAAJPBUNAW-AWEZNQCLSA-N 1 0 253.773 3.931 10 0 CHAERO CN(CCc1ccccc1)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225937 171090213 /nfs/dbraw/zinc/09/02/13/171090213.db2.gz ASWNCNDRUVFKJW-QGZVFWFLSA-N 1 0 288.822 3.514 10 0 CHAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020226735 171090910 /nfs/dbraw/zinc/09/09/10/171090910.db2.gz QFCJYAJXHNTWKO-GFCCVEGCSA-N 1 0 289.250 3.971 10 0 CHAERO Cc1noc(C)c1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020252834 171105153 /nfs/dbraw/zinc/10/51/53/171105153.db2.gz BPZZOKYSMDJUMC-ZZFFKQLHSA-N 1 0 288.435 3.986 10 0 CHAERO Cc1ccc([C@H]([NH3+])[C@H](C)n2ccnc2C(C)C)cc1 ZINC000020262071 171120190 /nfs/dbraw/zinc/12/01/90/171120190.db2.gz WINQOOYGESEFIP-DZGCQCFKSA-N 1 0 257.381 3.576 10 0 CHAERO Cc1ccc(C[N@@H+](C)Cc2ccc(C)c(N)c2)cc1 ZINC000020264716 171122065 /nfs/dbraw/zinc/12/20/65/171122065.db2.gz PQDFOFQATXCSLB-UHFFFAOYSA-N 1 0 254.377 3.518 10 0 CHAERO [NH3+][C@@H](Cc1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000020384471 171174972 /nfs/dbraw/zinc/17/49/72/171174972.db2.gz JQPKZZIOZDLAML-KRWDZBQOSA-N 1 0 255.336 3.557 10 0 CHAERO Cc1ccc(-c2nn(-c3ccc(C)cc3)cc2C[NH3+])cc1 ZINC000020390707 171179790 /nfs/dbraw/zinc/17/97/90/171179790.db2.gz ZFZMOPKMSGYOQO-UHFFFAOYSA-N 1 0 277.371 3.615 10 0 CHAERO Cc1cc([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)o1 ZINC000020438930 171202793 /nfs/dbraw/zinc/20/27/93/171202793.db2.gz HZKCXSHVORZRFB-KSSFIOAISA-N 1 0 286.419 3.850 10 0 CHAERO [NH3+]Cc1ccccc1Oc1ccc(Br)cc1F ZINC000020474062 171218072 /nfs/dbraw/zinc/21/80/72/171218072.db2.gz FPIIJQHMPRAHGA-UHFFFAOYSA-N 1 0 296.139 3.839 10 0 CHAERO CCCOc1ccc(Oc2ccc(C[NH3+])cc2)cc1 ZINC000020473844 171218144 /nfs/dbraw/zinc/21/81/44/171218144.db2.gz QXYRBUZMQYSYKA-UHFFFAOYSA-N 1 0 257.333 3.726 10 0 CHAERO CC(C)(C)OC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000020510878 171230280 /nfs/dbraw/zinc/23/02/80/171230280.db2.gz YEZUVXYIRVRQLF-NSHDSACASA-N 1 0 261.287 3.520 10 0 CHAERO Cc1ccc(C)c([C@H]([NH3+])COC2CCC(C)CC2)c1 ZINC000020545762 171243802 /nfs/dbraw/zinc/24/38/02/171243802.db2.gz JXASISHEAKLKHP-MWHAMWOXSA-N 1 0 261.409 3.899 10 0 CHAERO CCc1ccc([C@H]([NH3+])COc2ccc(C)c(C)c2)cc1 ZINC000020546500 171243999 /nfs/dbraw/zinc/24/39/99/171243999.db2.gz YWOTVPLHHNYNRH-GOSISDBHSA-N 1 0 269.388 3.945 10 0 CHAERO CC(C)CO[C@@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 ZINC000020547725 171244781 /nfs/dbraw/zinc/24/47/81/171244781.db2.gz VUVOOWFFPLOLMS-MOPGFXCFSA-N 1 0 283.415 3.970 10 0 CHAERO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000020550307 171246965 /nfs/dbraw/zinc/24/69/65/171246965.db2.gz GDCQZOIIUMBYIG-ULQDDVLXSA-N 1 0 268.489 3.911 10 0 CHAERO CCCCC[C@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000020551123 171247190 /nfs/dbraw/zinc/24/71/90/171247190.db2.gz HIQRISUDZAVPTN-JKSUJKDBSA-N 1 0 254.462 3.665 10 0 CHAERO CCCc1ccc([C@@H](N)C[N@H+](C)C2CCCCC2)cc1 ZINC000020559668 171251241 /nfs/dbraw/zinc/25/12/41/171251241.db2.gz GPERONATTQTASB-SFHVURJKSA-N 1 0 274.452 3.903 10 0 CHAERO CCOc1ccc(OC[C@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000020562009 171252163 /nfs/dbraw/zinc/25/21/63/171252163.db2.gz RCOWMWKRHXSILL-SFHVURJKSA-N 1 0 285.387 3.781 10 0 CHAERO [NH3+][C@@H](COC1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000020563906 171253101 /nfs/dbraw/zinc/25/31/01/171253101.db2.gz JYKKSHIROPGELD-UUMMVJRDSA-N 1 0 277.452 3.879 10 0 CHAERO COc1ccc(OC)c(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000020567205 171255141 /nfs/dbraw/zinc/25/51/41/171255141.db2.gz DXXNWNNQZWHAFC-XEZPLFJOSA-N 1 0 277.408 3.618 10 0 CHAERO Nc1c[nH+]ccc1Nc1cccc(Cl)c1Cl ZINC000020585775 171259066 /nfs/dbraw/zinc/25/90/66/171259066.db2.gz QHMRGWHBEOFPOK-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2oc3ccccc3c2C)cc1 ZINC000020592910 171262553 /nfs/dbraw/zinc/26/25/53/171262553.db2.gz JFJYVFCUEAPCFQ-MRXNPFEDSA-N 1 0 267.328 3.798 10 0 CHAERO Fc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000020595831 171264481 /nfs/dbraw/zinc/26/44/81/171264481.db2.gz CPLNWYFTZHJHNZ-OAHLLOKOSA-N 1 0 288.341 3.651 10 0 CHAERO CC[C@H]1[NH2+]Cc2c3c(sc2-n2cccc21)CCCC3 ZINC000020864957 171276906 /nfs/dbraw/zinc/27/69/06/171276906.db2.gz BOVOQZHMPKTVBK-CYBMUJFWSA-N 1 0 272.417 3.972 10 0 CHAERO CCCOc1ccc(C[NH2+]CCCOCC)cc1Cl ZINC000020925503 171280232 /nfs/dbraw/zinc/28/02/32/171280232.db2.gz UXBSFKYMCYNNEN-UHFFFAOYSA-N 1 0 285.815 3.645 10 0 CHAERO CCC[NH2+]Cc1ccc(OCCC)c(Br)c1 ZINC000020925925 171280270 /nfs/dbraw/zinc/28/02/70/171280270.db2.gz CIJWFRWWOJCFKB-UHFFFAOYSA-N 1 0 286.213 3.738 10 0 CHAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1ccccc1C(F)(F)F ZINC000021008886 171285643 /nfs/dbraw/zinc/28/56/43/171285643.db2.gz BGAMXGPJTWHHCW-NWDGAFQWSA-N 1 0 275.314 3.990 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000021009269 171286120 /nfs/dbraw/zinc/28/61/20/171286120.db2.gz MADBCCZIIUCEMA-XDNAFOTISA-N 1 0 297.483 3.623 10 0 CHAERO CC(C)c1ccc([C@H]([NH3+])CN(C)c2ccccc2)cc1 ZINC000021010845 171286700 /nfs/dbraw/zinc/28/67/00/171286700.db2.gz BZOHTPHUISTYHK-GOSISDBHSA-N 1 0 268.404 3.946 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](C2(CN)CCC(C(C)(C)C)CC2)C1 ZINC000021012008 171287538 /nfs/dbraw/zinc/28/75/38/171287538.db2.gz ASXQZYRZAXXXJH-RSIVFMTNSA-N 1 0 280.500 3.898 10 0 CHAERO CC[C@@H](Oc1ccc(C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000021013110 171288480 /nfs/dbraw/zinc/28/84/80/171288480.db2.gz YFXWRBCYRWMRCS-SJORKVTESA-N 1 0 255.361 3.852 10 0 CHAERO Cc1cccc(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000021014029 171288845 /nfs/dbraw/zinc/28/88/45/171288845.db2.gz PFTXUJDZDAETFF-KBMXLJTQSA-N 1 0 261.409 3.916 10 0 CHAERO Cc1cc(C)c([C@@H]([NH3+])COc2ccc(F)cc2F)c(C)c1 ZINC000021022766 171290746 /nfs/dbraw/zinc/29/07/46/171290746.db2.gz RJFFKOQXKMPDBA-HNNXBMFYSA-N 1 0 291.341 3.969 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1cc(C)ccc1OC ZINC000021030124 171291663 /nfs/dbraw/zinc/29/16/63/171291663.db2.gz GORSDKLCBNDMHW-OIISXLGYSA-N 1 0 291.435 3.989 10 0 CHAERO CCC[NH+](CCC)[C@@H](C(C)C)[C@@H](N)c1ccccc1 ZINC000021054800 171295425 /nfs/dbraw/zinc/29/54/25/171295425.db2.gz BALPYWJJFDZSFH-IRXDYDNUSA-N 1 0 262.441 3.833 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)CC(C)(C)C1 ZINC000021057177 171296001 /nfs/dbraw/zinc/29/60/01/171296001.db2.gz ZYDISCPQCCVMBB-TZMCWYRMSA-N 1 0 275.392 3.720 10 0 CHAERO Cc1ccc([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000021058339 171296507 /nfs/dbraw/zinc/29/65/07/171296507.db2.gz HUSIHZYHMPNIIL-YQQAZPJKSA-N 1 0 260.425 3.566 10 0 CHAERO Cc1cccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000021164027 171299057 /nfs/dbraw/zinc/29/90/57/171299057.db2.gz GHXLVGKFJZKUNX-IBGZPJMESA-N 1 0 274.367 3.978 10 0 CHAERO CCc1ccc(C[NH2+]CCCN(C)c2ccccc2)cc1 ZINC000021500440 171305025 /nfs/dbraw/zinc/30/50/25/171305025.db2.gz KQYWMJJHOXGQSI-UHFFFAOYSA-N 1 0 282.431 3.865 10 0 CHAERO Cc1ccc(CN(C)c2cccc(F)c2[C@@H](C)[NH3+])cc1 ZINC000021508449 171309005 /nfs/dbraw/zinc/30/90/05/171309005.db2.gz MNBBLFAUFWGEPB-CYBMUJFWSA-N 1 0 272.367 3.790 10 0 CHAERO CC(C)C[C@@H](C)OC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000021509802 171309567 /nfs/dbraw/zinc/30/95/67/171309567.db2.gz XEVRJHAIMARUJI-JRHYKELJSA-N 1 0 279.468 3.981 10 0 CHAERO CCc1ccc([C@H]([NH3+])COc2cccc(C)c2C)cc1 ZINC000021512563 171311042 /nfs/dbraw/zinc/31/10/42/171311042.db2.gz BYZNDMHYQVTAKY-QGZVFWFLSA-N 1 0 269.388 3.945 10 0 CHAERO CN(C)C1(C[NH2+]C2CCCCCCC2)CCCCC1 ZINC000021518563 171314426 /nfs/dbraw/zinc/31/44/26/171314426.db2.gz GQLNQWMHFAZGQQ-UHFFFAOYSA-N 1 0 266.473 3.953 10 0 CHAERO Cc1cccc(OC[C@H]([NH3+])c2cc(C)ccc2C)c1 ZINC000021520975 171316194 /nfs/dbraw/zinc/31/61/94/171316194.db2.gz MCHQCFDPPIWSHK-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CCN(CC)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021790796 171323902 /nfs/dbraw/zinc/32/39/02/171323902.db2.gz APHPNMVFWDKXPT-GJZGRUSLSA-N 1 0 254.462 3.523 10 0 CHAERO CCN(CC)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000021790804 171323950 /nfs/dbraw/zinc/32/39/50/171323950.db2.gz APHPNMVFWDKXPT-CABCVRRESA-N 1 0 254.462 3.523 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](N(CC)c2ccccc2C)C1 ZINC000021793888 171324745 /nfs/dbraw/zinc/32/47/45/171324745.db2.gz BXKQKFVMEBCSFD-INMHGKMJSA-N 1 0 260.425 3.727 10 0 CHAERO CC(C)c1ccc([C@@H](C[NH3+])N(C)c2ccccc2)cc1 ZINC000021804932 171327024 /nfs/dbraw/zinc/32/70/24/171327024.db2.gz FJEJDSUENMNYRV-GOSISDBHSA-N 1 0 268.404 3.946 10 0 CHAERO CCC[NH+](CCC)C[C@H](N)c1ccc(C(C)C)cc1 ZINC000021807732 171328175 /nfs/dbraw/zinc/32/81/75/171328175.db2.gz QOFWIRZCWMTEND-KRWDZBQOSA-N 1 0 262.441 3.932 10 0 CHAERO [NH3+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1Oc1cccc(F)c1 ZINC000021816977 171332767 /nfs/dbraw/zinc/33/27/67/171332767.db2.gz ZXQIHKUCXVZDKW-JLSDUUJJSA-N 1 0 285.362 3.868 10 0 CHAERO CCC[C@H](C)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000021819276 171334016 /nfs/dbraw/zinc/33/40/16/171334016.db2.gz XHLUHIQFDVIIAE-NSHDSACASA-N 1 0 257.324 3.814 10 0 CHAERO C[C@H]([NH3+])c1ccc(Oc2ccc3c(c2)CCC3)cc1 ZINC000021819569 171334230 /nfs/dbraw/zinc/33/42/30/171334230.db2.gz ORJMBUPYSZMWCR-LBPRGKRZSA-N 1 0 253.345 3.987 10 0 CHAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000022015165 171349726 /nfs/dbraw/zinc/34/97/26/171349726.db2.gz MRRCMEJMLODJCD-CYBMUJFWSA-N 1 0 276.380 3.501 10 0 CHAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000022148271 171357626 /nfs/dbraw/zinc/35/76/26/171357626.db2.gz QQMBGJXJZHQIHJ-SFHVURJKSA-N 1 0 268.404 3.830 10 0 CHAERO [NH3+][C@@H]1c2ccccc2CCC[C@@H]1Oc1ccccc1F ZINC000022566160 171391728 /nfs/dbraw/zinc/39/17/28/171391728.db2.gz BCSDTOLODYHELK-DLBZAZTESA-N 1 0 271.335 3.609 10 0 CHAERO Cc1ccc([C@H]([NH3+])[C@@H](C)Oc2ccccc2F)cc1 ZINC000022564831 171391775 /nfs/dbraw/zinc/39/17/75/171391775.db2.gz WVEDLAYFARMKEF-MLGOLLRUSA-N 1 0 259.324 3.601 10 0 CHAERO [NH3+]Cc1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000033503336 171808348 /nfs/dbraw/zinc/80/83/48/171808348.db2.gz IKKDIGSCBJEHOQ-UHFFFAOYSA-N 1 0 256.736 3.718 10 0 CHAERO CC[C@@H]([NH2+]C)c1ccccc1OCc1ccccc1 ZINC000034817944 171870896 /nfs/dbraw/zinc/87/08/96/171870896.db2.gz PZXVCCUIHGESQV-MRXNPFEDSA-N 1 0 255.361 3.936 10 0 CHAERO c1ccc2c(c1)CC[C@@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC000035009750 171927351 /nfs/dbraw/zinc/92/73/51/171927351.db2.gz PGFQCZLUAVIHQE-XYBHCRCFSA-N 1 0 281.443 3.958 10 0 CHAERO CN(C)C1(C[NH2+]C2C3CC4CC(C3)CC2C4)CCCCC1 ZINC000035162005 172021986 /nfs/dbraw/zinc/02/19/86/172021986.db2.gz BPBDHQPJRGTXTM-UHFFFAOYSA-N 1 0 290.495 3.665 10 0 CHAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000035206587 172051360 /nfs/dbraw/zinc/05/13/60/172051360.db2.gz HYVIPJSRHJDKGE-MOPGFXCFSA-N 1 0 280.415 3.523 10 0 CHAERO C[C@H](NC1=[NH+][C@H](C)CS1)C12CC3CC(CC(C3)C1)C2 ZINC000035294338 172106196 /nfs/dbraw/zinc/10/61/96/172106196.db2.gz ONPQBSUYNVVFAK-JDDJGOSBSA-N 1 0 278.465 3.672 10 0 CHAERO C[C@@H]1CCCC[C@H]1Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332610 172131195 /nfs/dbraw/zinc/13/11/95/172131195.db2.gz WOJAAMDWYBVATP-IAQYHMDHSA-N 1 0 255.365 3.808 10 0 CHAERO CCOc1ccc([C@H]([NH3+])c2cc3c(s2)CCC3)cc1 ZINC000035379780 172161939 /nfs/dbraw/zinc/16/19/39/172161939.db2.gz UZLQXHZKSCZMMY-INIZCTEOSA-N 1 0 273.401 3.684 10 0 CHAERO [NH3+][C@H](c1ccc(Br)o1)c1ccc2c(c1)CCC2 ZINC000035381298 172163508 /nfs/dbraw/zinc/16/35/08/172163508.db2.gz ONKPJDAWHWIBQZ-AWEZNQCLSA-N 1 0 292.176 3.579 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cccs2)c2ccccc12 ZINC000035381828 172164513 /nfs/dbraw/zinc/16/45/13/172164513.db2.gz PGNJTMBFXDUWEK-INIZCTEOSA-N 1 0 269.369 3.958 10 0 CHAERO CCCCCOc1c(C[NH2+]CCC)cccc1OC ZINC000035413737 172186299 /nfs/dbraw/zinc/18/62/99/172186299.db2.gz BKCUIBZGEOKHLD-UHFFFAOYSA-N 1 0 265.397 3.764 10 0 CHAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc(OC)c(Br)c1 ZINC000035455469 172206954 /nfs/dbraw/zinc/20/69/54/172206954.db2.gz YKMBIZJRBOEPOL-TVQRCGJNSA-N 1 0 286.213 3.764 10 0 CHAERO CC[C@H](C)[C@@H]([NH2+]C)c1cc(Br)ccc1OC ZINC000035456521 172207038 /nfs/dbraw/zinc/20/70/38/172207038.db2.gz ZPQFABWPICZLSM-TVQRCGJNSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(C)c(C)c1 ZINC000035457569 172207547 /nfs/dbraw/zinc/20/75/47/172207547.db2.gz JWNFOVNOVZNASE-QGZVFWFLSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(C)s1 ZINC000035459392 172208206 /nfs/dbraw/zinc/20/82/06/172208206.db2.gz AVFKGZHYLZMOHM-CQSZACIVSA-N 1 0 261.390 3.568 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2ccc(OC)cc2)s1 ZINC000035461078 172209906 /nfs/dbraw/zinc/20/99/06/172209906.db2.gz HFBSEYYTSVJKBY-OAHLLOKOSA-N 1 0 261.390 3.628 10 0 CHAERO C[NH2+][C@H](c1ccc(F)cc1)c1cccc(Br)c1 ZINC000035463673 172211320 /nfs/dbraw/zinc/21/13/20/172211320.db2.gz IOSSSIVLVAXHSU-CQSZACIVSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cc(Cl)ccc1OC ZINC000035463730 172211424 /nfs/dbraw/zinc/21/14/24/172211424.db2.gz RZTJBZFZAIIZFB-HNNXBMFYSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(F)cc1Cl ZINC000035463784 172211426 /nfs/dbraw/zinc/21/14/26/172211426.db2.gz CSQKWNALCFOCMZ-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000035463726 172211680 /nfs/dbraw/zinc/21/16/80/172211680.db2.gz LPMGTEGKKUUEFQ-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@@H](CCc1ccc(OC)cc1)c1ccccc1 ZINC000035465126 172212293 /nfs/dbraw/zinc/21/22/93/172212293.db2.gz GFZMRNAOVPOGQY-KRWDZBQOSA-N 1 0 255.361 3.589 10 0 CHAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccccc1 ZINC000035464985 172212332 /nfs/dbraw/zinc/21/23/32/172212332.db2.gz TUHURGQOSKZMEI-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@H](Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000035464358 172212540 /nfs/dbraw/zinc/21/25/40/172212540.db2.gz NQXNBIJRSWFKGH-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@H](c1ccccc1)c1cc(F)ccc1Br ZINC000035465359 172213219 /nfs/dbraw/zinc/21/32/19/172213219.db2.gz FKZYVEHMZIKZMZ-CQSZACIVSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(C)cc1 ZINC000035466053 172213683 /nfs/dbraw/zinc/21/36/83/172213683.db2.gz NVEAAYYCRQIKAA-CYBMUJFWSA-N 1 0 280.165 3.659 10 0 CHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000035466857 172215599 /nfs/dbraw/zinc/21/55/99/172215599.db2.gz PWNLBYPIYZTLQO-MLGOLLRUSA-N 1 0 263.381 3.545 10 0 CHAERO C[NH2+][C@H](c1cccc(OC)c1)c1ccc(C)cc1C ZINC000035468217 172216566 /nfs/dbraw/zinc/21/65/66/172216566.db2.gz NHNLVQQLVFWSHM-QGZVFWFLSA-N 1 0 255.361 3.621 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc(OC)cc1C ZINC000035468324 172217331 /nfs/dbraw/zinc/21/73/31/172217331.db2.gz UKUHLKKKQZHZFT-CQSZACIVSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1c(F)cccc1Cl ZINC000035488295 172222821 /nfs/dbraw/zinc/22/28/21/172222821.db2.gz UJUXCBUJRBAOFB-LBPRGKRZSA-N 1 0 255.745 3.849 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cccs1 ZINC000035487865 172223185 /nfs/dbraw/zinc/22/31/85/172223185.db2.gz XDNNJCUNMVRVOI-LBPRGKRZSA-N 1 0 251.782 3.905 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1cc(C)ccc1C ZINC000035489928 172224848 /nfs/dbraw/zinc/22/48/48/172224848.db2.gz SJIXXTOQMIJTEI-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](c1cc(F)cc(F)c1)c1ccc(F)cc1F ZINC000035491857 172226085 /nfs/dbraw/zinc/22/60/85/172226085.db2.gz IRHVNFUSJRHVBV-CQSZACIVSA-N 1 0 269.241 3.552 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1F)c1ccc(F)c(F)c1 ZINC000035494709 172227750 /nfs/dbraw/zinc/22/77/50/172227750.db2.gz RXJSBPUGJMSUAK-OAHLLOKOSA-N 1 0 265.278 3.607 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2ccc(F)c(F)c2)cc1 ZINC000035494440 172227817 /nfs/dbraw/zinc/22/78/17/172227817.db2.gz OMDVRALQXPRCCG-INIZCTEOSA-N 1 0 261.315 3.836 10 0 CHAERO C[NH2+][C@H](c1cc(C)oc1C)c1ccc2c(c1)CCC2 ZINC000035496802 172230548 /nfs/dbraw/zinc/23/05/48/172230548.db2.gz AIZBTCBZOFTEOB-KRWDZBQOSA-N 1 0 255.361 3.694 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)c1cc(F)cc(F)c1 ZINC000035497653 172231288 /nfs/dbraw/zinc/23/12/88/172231288.db2.gz MCKUUOXSQFDNDF-AWEZNQCLSA-N 1 0 267.344 3.952 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccccc1OC ZINC000035497743 172231434 /nfs/dbraw/zinc/23/14/34/172231434.db2.gz QWIWLELYKDQRQD-HNNXBMFYSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1)c1ccc(Cl)s1 ZINC000035498540 172231973 /nfs/dbraw/zinc/23/19/73/172231973.db2.gz OBNGHJZHSXTMMB-LLVKDONJSA-N 1 0 251.782 3.905 10 0 CHAERO C[NH2+][C@@H](c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000035501435 172235634 /nfs/dbraw/zinc/23/56/34/172235634.db2.gz CNVCIGQAEZJRMJ-GFCCVEGCSA-N 1 0 256.132 3.895 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)c(F)c1)c1ccccc1Cl ZINC000035507546 172240300 /nfs/dbraw/zinc/24/03/00/172240300.db2.gz VYBZVOMGNYJREQ-HNNXBMFYSA-N 1 0 279.742 3.797 10 0 CHAERO CC[NH2+][C@H](c1cc(Br)ccc1OC)[C@H]1C[C@@H]1C ZINC000035509165 172241130 /nfs/dbraw/zinc/24/11/30/172241130.db2.gz NZKKFQPIXDANSP-CHIMOYNISA-N 1 0 298.224 3.764 10 0 CHAERO CC[NH2+][C@@H](c1ccco1)c1ccc2c(c1)CCCC2 ZINC000035510697 172242446 /nfs/dbraw/zinc/24/24/46/172242446.db2.gz LVDSTUUOWXREQA-QGZVFWFLSA-N 1 0 255.361 3.857 10 0 CHAERO CC[NH2+][C@@H](c1ccco1)c1ccc(OC)c(Cl)c1 ZINC000035538252 172244701 /nfs/dbraw/zinc/24/47/01/172244701.db2.gz TWOWFHRKVLPVSA-CQSZACIVSA-N 1 0 265.740 3.641 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@@H]1C[C@@H]1C ZINC000035538709 172244732 /nfs/dbraw/zinc/24/47/32/172244732.db2.gz ALNGGZVLGRFPNY-PXWWUCIGSA-N 1 0 253.773 3.655 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(OC)cc1C ZINC000035542958 172251192 /nfs/dbraw/zinc/25/11/92/172251192.db2.gz UDEJHEIHCHQLLF-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1cc(F)ccc1OC ZINC000035554472 172261156 /nfs/dbraw/zinc/26/11/56/172261156.db2.gz VYUHSCQZRNWZEC-XHDPSFHLSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)[C@H]1C[C@@H]1C ZINC000035557644 172263884 /nfs/dbraw/zinc/26/38/84/172263884.db2.gz VBWQQJLQWJWSAL-YHAQOWFVSA-N 1 0 283.799 3.664 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000035575397 172272057 /nfs/dbraw/zinc/27/20/57/172272057.db2.gz VOLQSZLPQUQUDE-KGLIPLIRSA-N 1 0 253.773 3.560 10 0 CHAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@@H]1C[C@@H]1C ZINC000035580948 172276262 /nfs/dbraw/zinc/27/62/62/172276262.db2.gz UYYHSCWGAXIFFY-LLHLLMPMSA-N 1 0 257.299 3.801 10 0 CHAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@@H]1C[C@@H]1C ZINC000035580949 172276348 /nfs/dbraw/zinc/27/63/48/172276348.db2.gz UYYHSCWGAXIFFY-HNXYLICVSA-N 1 0 257.299 3.801 10 0 CHAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)C1CCC1 ZINC000035580943 172276755 /nfs/dbraw/zinc/27/67/55/172276755.db2.gz HFLSSOZFWYAMIP-CQSZACIVSA-N 1 0 257.299 3.945 10 0 CHAERO CCC[NH2+][C@H](CC)c1cc2c(cc1Cl)OCCO2 ZINC000035584748 172284366 /nfs/dbraw/zinc/28/43/66/172284366.db2.gz QRFSHEYYUONFFP-GFCCVEGCSA-N 1 0 269.772 3.562 10 0 CHAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)C(C)(C)C ZINC000035587177 172287397 /nfs/dbraw/zinc/28/73/97/172287397.db2.gz DAQYWSSOTGBXMX-CQSZACIVSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@@H](C)CC ZINC000035598525 172288043 /nfs/dbraw/zinc/28/80/43/172288043.db2.gz BDFAUWAHYLJZPM-NHYWBVRUSA-N 1 0 253.361 3.921 10 0 CHAERO CC[C@H]([NH2+]CCC(=O)OC)c1ccc(Cl)cc1Cl ZINC000035625525 172304720 /nfs/dbraw/zinc/30/47/20/172304720.db2.gz RYRJCSAXWKPCPP-LBPRGKRZSA-N 1 0 290.190 3.597 10 0 CHAERO CC(C)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000035657555 172332422 /nfs/dbraw/zinc/33/24/22/172332422.db2.gz RNBSHDPGOMAWQM-GFCCVEGCSA-N 1 0 284.197 3.661 10 0 CHAERO CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000035662019 172340675 /nfs/dbraw/zinc/34/06/75/172340675.db2.gz ITTSGYOLOPHOHO-MRVPVSSYSA-N 1 0 262.180 3.890 10 0 CHAERO CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)Cc1cccs1 ZINC000035717223 172370893 /nfs/dbraw/zinc/37/08/93/172370893.db2.gz KNLUIWVRZCWCRN-ZFWWWQNUSA-N 1 0 268.470 3.724 10 0 CHAERO CN(Cc1ccsc1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000035718958 172373004 /nfs/dbraw/zinc/37/30/04/172373004.db2.gz YWMQJSYFLXBCFU-JTQLQIEISA-N 1 0 286.853 3.595 10 0 CHAERO [NH3+]Cc1ccc(Sc2cc(F)ccc2F)cc1 ZINC000035720278 172374943 /nfs/dbraw/zinc/37/49/43/172374943.db2.gz MJBWXKSJSHLCKZ-UHFFFAOYSA-N 1 0 251.301 3.575 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1ccc(F)c(F)c1 ZINC000035722082 172377387 /nfs/dbraw/zinc/37/73/87/172377387.db2.gz FVCQXOKCZSEURJ-NOZJJQNGSA-N 1 0 257.349 3.574 10 0 CHAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccc(F)c(F)c2)C1 ZINC000035722074 172377614 /nfs/dbraw/zinc/37/76/14/172377614.db2.gz BKPOFSVLTLXLLF-GPCCPHFNSA-N 1 0 271.376 3.820 10 0 CHAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccccn2)C1 ZINC000035723860 172379240 /nfs/dbraw/zinc/37/92/40/172379240.db2.gz WMHPPQNVIYZKAC-HZSPNIEDSA-N 1 0 264.438 3.717 10 0 CHAERO Cc1cc(Cl)ccc1OCc1cccc(C[NH3+])c1 ZINC000035726827 172380499 /nfs/dbraw/zinc/38/04/99/172380499.db2.gz IFERESZKXKBUPP-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO COC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000035748228 172395905 /nfs/dbraw/zinc/39/59/05/172395905.db2.gz BLDPLKSTXQVLFK-DTWKUNHWSA-N 1 0 290.190 3.596 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]C2CC2)c2cc3c(cc2S1)CCC3 ZINC000035761113 172399652 /nfs/dbraw/zinc/39/96/52/172399652.db2.gz OPIMRAVTYWZHSI-BMIGLBTASA-N 1 0 259.418 3.853 10 0 CHAERO CCC[NH2+][C@H]1c2cc(F)cc(F)c2SC[C@@H]1C ZINC000035763004 172402950 /nfs/dbraw/zinc/40/29/50/172402950.db2.gz CETMOPACVFUMRW-QPUJVOFHSA-N 1 0 257.349 3.747 10 0 CHAERO CCC[NH+]1CCC(O)(c2cccc(Cl)c2Cl)CC1 ZINC000035856506 172424257 /nfs/dbraw/zinc/42/42/57/172424257.db2.gz DAYTXUNUACNFMC-UHFFFAOYSA-N 1 0 288.218 3.687 10 0 CHAERO CN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000036906830 172795345 /nfs/dbraw/zinc/79/53/45/172795345.db2.gz CAESJNXYVQEYLN-LBPRGKRZSA-N 1 0 280.824 3.533 10 0 CHAERO CCC(CC)[C@@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000036926053 172808175 /nfs/dbraw/zinc/80/81/75/172808175.db2.gz CJLSTJXOZDQFNO-CQSZACIVSA-N 1 0 269.772 3.547 10 0 CHAERO CCOc1cc(Cl)c([C@@H]([NH3+])[C@H]2C[C@@H]2C)cc1OCC ZINC000036926308 172808978 /nfs/dbraw/zinc/80/89/78/172808978.db2.gz LZNNLLRYYQMOCJ-YHAQOWFVSA-N 1 0 283.799 3.793 10 0 CHAERO CC(C)(C)c1cccc(O[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000037179509 173013134 /nfs/dbraw/zinc/01/31/34/173013134.db2.gz QEEJDKJCJPXYEC-LBPRGKRZSA-N 1 0 275.314 3.643 10 0 CHAERO Cc1nc2sccn2c1C[NH2+][C@H](C)c1ccccc1 ZINC000037185735 173017484 /nfs/dbraw/zinc/01/74/84/173017484.db2.gz YREQHXQRQDDKMM-LLVKDONJSA-N 1 0 271.389 3.555 10 0 CHAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cccc(F)c2)C1 ZINC000037209860 173031612 /nfs/dbraw/zinc/03/16/12/173031612.db2.gz FGFKHJNLSVRQJZ-KGLIPLIRSA-N 1 0 264.388 3.748 10 0 CHAERO CCc1ccc([C@@H](CC)[NH2+]Cc2ccccn2)cc1 ZINC000037223859 173045045 /nfs/dbraw/zinc/04/50/45/173045045.db2.gz NJQUOPYKCHAUIJ-QGZVFWFLSA-N 1 0 254.377 3.885 10 0 CHAERO C[NH2+]Cc1cc(F)ccc1Oc1cc(C)cc(C)c1 ZINC000037237721 173055476 /nfs/dbraw/zinc/05/54/76/173055476.db2.gz DHPDKWDJQNZXLN-UHFFFAOYSA-N 1 0 259.324 3.954 10 0 CHAERO C=COCCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037239255 173056270 /nfs/dbraw/zinc/05/62/70/173056270.db2.gz RDICCQRSNABTSV-IRXDYDNUSA-N 1 0 259.393 3.853 10 0 CHAERO CCOc1cccc(C[NH2+][C@@H](C)CC(C)C)c1OC ZINC000037255515 173065854 /nfs/dbraw/zinc/06/58/54/173065854.db2.gz KIVPZAZEOWGEAR-ZDUSSCGKSA-N 1 0 265.397 3.618 10 0 CHAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1C(C)C ZINC000037294833 173099309 /nfs/dbraw/zinc/09/93/09/173099309.db2.gz PGXDBAAXOXOQJB-DZGCQCFKSA-N 1 0 263.429 3.602 10 0 CHAERO COc1ccc([C@H]([NH3+])Cc2ccc(C)cc2)cc1Cl ZINC000037331395 173132291 /nfs/dbraw/zinc/13/22/91/173132291.db2.gz DQQDRXIZOZRRQA-OAHLLOKOSA-N 1 0 275.779 3.900 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@H]1CCC[NH2+]C1 ZINC000037440485 173210241 /nfs/dbraw/zinc/21/02/41/173210241.db2.gz MSBRPGDSOPJDAU-NSHDSACASA-N 1 0 277.799 3.567 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])CC ZINC000037440520 173210479 /nfs/dbraw/zinc/21/04/79/173210479.db2.gz PKTRSSVUKGOQDO-JTQLQIEISA-N 1 0 251.761 3.510 10 0 CHAERO [NH3+][C@@H](Cc1cccc(Br)c1)C1CCCCC1 ZINC000037466945 173226734 /nfs/dbraw/zinc/22/67/34/173226734.db2.gz RNCJGDKZWQLEMJ-AWEZNQCLSA-N 1 0 282.225 3.899 10 0 CHAERO Cc1ccc([C@]2([NH3+])CCCCc3ccccc32)cc1 ZINC000037529400 173252906 /nfs/dbraw/zinc/25/29/06/173252906.db2.gz YFFBIBYFGRIUKV-GOSISDBHSA-N 1 0 251.373 3.924 10 0 CHAERO CC[NH2+][C@H](Cc1ccccc1)Cc1cccc(F)c1 ZINC000037534328 173254606 /nfs/dbraw/zinc/25/46/06/173254606.db2.gz CRWMLOSEMPHTKG-QGZVFWFLSA-N 1 0 257.352 3.589 10 0 CHAERO CC(C)[NH2+]CCCC(=O)Nc1ccc2sccc2c1 ZINC000037634269 173582392 /nfs/dbraw/zinc/58/23/92/173582392.db2.gz NAVSNMGPHRXJHU-UHFFFAOYSA-N 1 0 276.405 3.618 10 0 CHAERO CCCCOc1ccc2ccccc2c1C[C@@H](C)[NH3+] ZINC000037727444 173646147 /nfs/dbraw/zinc/64/61/47/173646147.db2.gz RKLOKINEJABHHZ-CYBMUJFWSA-N 1 0 257.377 3.908 10 0 CHAERO CCCCCN(CCCCC)C(=O)CCCCC[NH3+] ZINC000037814448 173762257 /nfs/dbraw/zinc/76/22/57/173762257.db2.gz HHVCXQQACGNGPH-UHFFFAOYSA-N 1 0 270.461 3.715 10 0 CHAERO CCc1ncc(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)s1 ZINC000037923799 173862341 /nfs/dbraw/zinc/86/23/41/173862341.db2.gz JKKGBROHETZRID-GVXVVHGQSA-N 1 0 252.427 3.620 10 0 CHAERO CCCCC1CCC(C[NH2+]C[C@H]2CCCO2)CC1 ZINC000037927469 173866215 /nfs/dbraw/zinc/86/62/15/173866215.db2.gz NRAHKJOBUHLBQI-UYSNPLJNSA-N 1 0 253.430 3.752 10 0 CHAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1ccc(OC)c(F)c1 ZINC000038005003 173967071 /nfs/dbraw/zinc/96/70/71/173967071.db2.gz LQONFLLYJPAQKK-TZMCWYRMSA-N 1 0 267.388 3.791 10 0 CHAERO C[C@H](C[NH2+]C1CCCCCCC1)N1CCCCC1 ZINC000038028298 174016385 /nfs/dbraw/zinc/01/63/85/174016385.db2.gz IGQCPNCLCALTAS-OAHLLOKOSA-N 1 0 252.446 3.563 10 0 CHAERO CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(C)cc1 ZINC000038028578 174017474 /nfs/dbraw/zinc/01/74/74/174017474.db2.gz BONNGBQGSFDZFZ-AEFFLSMTSA-N 1 0 274.452 3.910 10 0 CHAERO CC(C)[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccccc1 ZINC000038029120 174019122 /nfs/dbraw/zinc/01/91/22/174019122.db2.gz PIRMLLPUGFLCJA-AEFFLSMTSA-N 1 0 274.452 3.848 10 0 CHAERO CC[C@H](c1ccccc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032518 174028550 /nfs/dbraw/zinc/02/85/50/174028550.db2.gz SONSGQFZVDKYLT-GOSISDBHSA-N 1 0 266.388 3.778 10 0 CHAERO CCCOc1cccc(C[NH2+][C@H](C)c2ccncc2)c1 ZINC000038038260 174038370 /nfs/dbraw/zinc/03/83/70/174038370.db2.gz OFBXNVNJIJBCCA-CQSZACIVSA-N 1 0 270.376 3.721 10 0 CHAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038044532 174052217 /nfs/dbraw/zinc/05/22/17/174052217.db2.gz BUIJIEJAHGJRGD-HZPDHXFCSA-N 1 0 291.435 3.799 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1ccc2c(c1)CCCO2 ZINC000038058095 174068987 /nfs/dbraw/zinc/06/89/87/174068987.db2.gz FFPPGAYUWUIZCS-MRXNPFEDSA-N 1 0 273.401 3.772 10 0 CHAERO Fc1cccc(-c2ccc(F)c(C[NH2+]C3CC3)c2)c1 ZINC000038071624 174082586 /nfs/dbraw/zinc/08/25/86/174082586.db2.gz UJYIEBRPWAKSAI-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO C[NH2+]Cc1ccc(-c2c(F)cc(F)cc2F)cc1F ZINC000038072818 174083389 /nfs/dbraw/zinc/08/33/89/174083389.db2.gz QJMYOOZMJORZOP-UHFFFAOYSA-N 1 0 269.241 3.629 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(OC)cc1C ZINC000038072718 174083399 /nfs/dbraw/zinc/08/33/99/174083399.db2.gz JGADJHCQZJYWEC-CYBMUJFWSA-N 1 0 255.361 3.951 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000038073316 174083507 /nfs/dbraw/zinc/08/35/07/174083507.db2.gz YGASXNDOZHYNQV-UHFFFAOYSA-N 1 0 251.373 3.952 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000038072963 174083536 /nfs/dbraw/zinc/08/35/36/174083536.db2.gz GHOXXDVPPVFDFY-GFCCVEGCSA-N 1 0 253.345 3.569 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(OC)cc2F)c1 ZINC000038073790 174084039 /nfs/dbraw/zinc/08/40/39/174084039.db2.gz CIBIENLOKKOJDP-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc(OC)c(F)c2)cc1 ZINC000038073681 174084096 /nfs/dbraw/zinc/08/40/96/174084096.db2.gz DCVKRSSDLQJLHT-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO Cc1cc(C)cc(COc2ccc(Cl)cc2C[NH3+])c1 ZINC000038076673 174087470 /nfs/dbraw/zinc/08/74/70/174087470.db2.gz QJABYBCRAOBGTI-UHFFFAOYSA-N 1 0 275.779 3.995 10 0 CHAERO CCCCC[C@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1 ZINC000038087701 174099614 /nfs/dbraw/zinc/09/96/14/174099614.db2.gz QALQSKUMIRCYMN-RDJZCZTQSA-N 1 0 262.441 3.848 10 0 CHAERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)N(C)C ZINC000038087652 174099827 /nfs/dbraw/zinc/09/98/27/174099827.db2.gz RYAZNODMKWGIRP-DJIMGWMZSA-N 1 0 266.473 3.665 10 0 CHAERO CCCCc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C)cc1 ZINC000038087872 174100228 /nfs/dbraw/zinc/10/02/28/174100228.db2.gz XGVYQCDMVRDBLQ-GJZGRUSLSA-N 1 0 262.441 3.630 10 0 CHAERO C[C@@H](NC[C@H](C)[NH+](C)C)c1c(Cl)ccc(F)c1Cl ZINC000038088303 174101693 /nfs/dbraw/zinc/10/16/93/174101693.db2.gz WMQZFELNNOMYDY-DTWKUNHWSA-N 1 0 293.213 3.733 10 0 CHAERO COc1ccc([C@H](C)[NH2+]CCCC(C)C)c(F)c1 ZINC000038093669 174107667 /nfs/dbraw/zinc/10/76/67/174107667.db2.gz DSRNEWVQYXNBFJ-LBPRGKRZSA-N 1 0 253.361 3.921 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000038127177 174131478 /nfs/dbraw/zinc/13/14/78/174131478.db2.gz NHSUGWAVEPJRGB-AWEZNQCLSA-N 1 0 265.278 3.948 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccccc1C ZINC000038133284 174132194 /nfs/dbraw/zinc/13/21/94/174132194.db2.gz HYAMQOQIPZICKI-KRWDZBQOSA-N 1 0 255.361 3.507 10 0 CHAERO Cc1ccc(C)c(Cn2cc(CC[NH3+])c3ccccc32)c1 ZINC000038438970 174141140 /nfs/dbraw/zinc/14/11/40/174141140.db2.gz PHGKRFZENJAIBP-UHFFFAOYSA-N 1 0 278.399 3.808 10 0 CHAERO CC1CCN([C@H](C[NH3+])c2c(Cl)cccc2Cl)CC1 ZINC000039034756 174162062 /nfs/dbraw/zinc/16/20/62/174162062.db2.gz JHHWSXVMSJJLBI-CYBMUJFWSA-N 1 0 287.234 3.725 10 0 CHAERO CC(C)c1ccc([C@@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000039789045 174173135 /nfs/dbraw/zinc/17/31/35/174173135.db2.gz OBPJVJGSPLPUOH-RVKKMQEKSA-N 1 0 274.452 3.788 10 0 CHAERO C[C@H]([NH3+])c1ccc(OC2CCCCCC2)c(F)c1 ZINC000040228108 174208499 /nfs/dbraw/zinc/20/84/99/174208499.db2.gz XVFDETFFTCISJY-NSHDSACASA-N 1 0 251.345 3.947 10 0 CHAERO C[NH2+]CC[C@H](c1ccccc1)n1ccc2ccccc21 ZINC000040380452 174250859 /nfs/dbraw/zinc/25/08/59/174250859.db2.gz VDFAJYFMKVKZLC-GOSISDBHSA-N 1 0 264.372 3.840 10 0 in-vivo CHAERO CCc1ccc(-c2nc(C[NH2+]C3CC3)cs2)cc1 ZINC000040419338 174257002 /nfs/dbraw/zinc/25/70/02/174257002.db2.gz LVNWDFDEMBVPOU-UHFFFAOYSA-N 1 0 258.390 3.625 10 0 CHAERO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OC(C)C ZINC000040721132 174385460 /nfs/dbraw/zinc/38/54/60/174385460.db2.gz FZFIJZDRPSCEJI-UHFFFAOYSA-N 1 0 285.815 3.881 10 0 CHAERO Fc1ccc(OCCC[NH2+]C2CCCC2)c(Cl)c1 ZINC000041405540 174547109 /nfs/dbraw/zinc/54/71/09/174547109.db2.gz QELFRTZVHVUWTN-UHFFFAOYSA-N 1 0 271.763 3.780 10 0 CHAERO Clc1cccc(Cl)c1OCC[NH2+]C1CCCC1 ZINC000041410543 174548769 /nfs/dbraw/zinc/54/87/69/174548769.db2.gz MVFXKBAMNSWCLD-UHFFFAOYSA-N 1 0 274.191 3.904 10 0 CHAERO COc1ccc(Cl)cc1C[C@H](C[NH3+])Cc1ccccc1 ZINC000041466775 174557073 /nfs/dbraw/zinc/55/70/73/174557073.db2.gz SSWMKDPARGRBFV-CQSZACIVSA-N 1 0 289.806 3.709 10 0 CHAERO COc1ccc(C[C@@H](C[NH3+])Cc2ccc(Cl)cc2)cc1 ZINC000041466772 174557322 /nfs/dbraw/zinc/55/73/22/174557322.db2.gz XDGDIVSICKYRMG-HNNXBMFYSA-N 1 0 289.806 3.709 10 0 CHAERO C[NH2+]Cc1csc(-c2ccc(OC)c(Cl)c2)c1 ZINC000042366238 174697778 /nfs/dbraw/zinc/69/77/78/174697778.db2.gz COWFJUCMMSLAOR-UHFFFAOYSA-N 1 0 267.781 3.797 10 0 CHAERO CC[C@H](C(=O)c1ccccc1)[N@H+](CC(C)C)C1CC1 ZINC000042558524 174794698 /nfs/dbraw/zinc/79/46/98/174794698.db2.gz UBEROUWRSROCRX-MRXNPFEDSA-N 1 0 259.393 3.768 10 0 CHAERO C[NH2+][C@H](CCc1ccc(OC)cc1)c1sccc1C ZINC000042729518 174858965 /nfs/dbraw/zinc/85/89/65/174858965.db2.gz GJTNZOUGSIYFKB-OAHLLOKOSA-N 1 0 275.417 3.958 10 0 CHAERO COC(=O)CC1(C[C@H]([NH3+])c2sccc2C)CCCC1 ZINC000042730634 174859212 /nfs/dbraw/zinc/85/92/12/174859212.db2.gz DOBYGBZDONGEHT-LBPRGKRZSA-N 1 0 281.421 3.570 10 0 CHAERO [NH3+]C[C@@H](OCc1ccccc1Cl)c1ccccc1 ZINC000042899809 174905349 /nfs/dbraw/zinc/90/53/49/174905349.db2.gz HWMWKMARFAWMNT-OAHLLOKOSA-N 1 0 261.752 3.557 10 0 CHAERO Cc1ccc(C)c(O[C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042903213 174907042 /nfs/dbraw/zinc/90/70/42/174907042.db2.gz HIRVLCPWEXPODP-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO Cc1ccc([C@@H](Oc2ccccc2C)[C@@H](C)[NH3+])cc1 ZINC000042910722 174910020 /nfs/dbraw/zinc/91/00/20/174910020.db2.gz ITSFOMHTIJGEFK-PBHICJAKSA-N 1 0 255.361 3.771 10 0 CHAERO Cc1csc(S[C@H](c2ccc(C)cc2)[C@H](C)[NH3+])n1 ZINC000042912081 174910607 /nfs/dbraw/zinc/91/06/07/174910607.db2.gz IFBWKYSQKTWIES-AAEUAGOBSA-N 1 0 278.446 3.941 10 0 CHAERO [NH3+]C[C@@H](OCc1ccccc1Cl)c1ccc(F)cc1 ZINC000042916552 174916278 /nfs/dbraw/zinc/91/62/78/174916278.db2.gz MFISDYVPRWJKAK-OAHLLOKOSA-N 1 0 279.742 3.696 10 0 CHAERO CCCCCCO[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042942238 174918683 /nfs/dbraw/zinc/91/86/83/174918683.db2.gz AQRHKUZDUASPDJ-WFASDCNBSA-N 1 0 253.361 3.811 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccn1)c1ccc(C)cc1 ZINC000042943179 174918804 /nfs/dbraw/zinc/91/88/04/174918804.db2.gz MESOEIGWBWKZOF-ZBFHGGJFSA-N 1 0 272.417 3.961 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1nccn1C)c1ccc(Cl)cc1 ZINC000042950000 174923340 /nfs/dbraw/zinc/92/33/40/174923340.db2.gz LXDHSVLRXJPOAU-CHWSQXEVSA-N 1 0 295.839 3.644 10 0 CHAERO CCCCS[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042965016 174928729 /nfs/dbraw/zinc/92/87/29/174928729.db2.gz CKJCHVZAJOGABG-BXUZGUMPSA-N 1 0 253.411 3.617 10 0 CHAERO Cc1cccc([C@H](C[NH3+])O[C@H](C)c2ccccc2)c1 ZINC000042968682 174932324 /nfs/dbraw/zinc/93/23/24/174932324.db2.gz LXZKTQSMFJICAG-PBHICJAKSA-N 1 0 255.361 3.773 10 0 CHAERO Cc1cccc([C@H](Oc2cccc(F)c2)[C@H](C)[NH3+])c1 ZINC000042968189 174932732 /nfs/dbraw/zinc/93/27/32/174932732.db2.gz OZVVJQAALIKQBA-BLLLJJGKSA-N 1 0 259.324 3.601 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000042974969 174938710 /nfs/dbraw/zinc/93/87/10/174938710.db2.gz IRAFPJJRGKPPSZ-HUUCEWRRSA-N 1 0 266.816 3.604 10 0 CHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1)c1cccc(Cl)c1 ZINC000043017471 174943469 /nfs/dbraw/zinc/94/34/69/174943469.db2.gz FYIDVFIWUFZVJU-NHYWBVRUSA-N 1 0 261.752 3.807 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC)c1cccc(Cl)c1 ZINC000043018720 174943829 /nfs/dbraw/zinc/94/38/29/174943829.db2.gz WYJMSDRGKRIJCM-GDLCADMTSA-N 1 0 255.789 3.934 10 0 CHAERO CCC(C)(C)O[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043018410 174943896 /nfs/dbraw/zinc/94/38/96/174943896.db2.gz LVDUUHDMXCRVMA-MFKMUULPSA-N 1 0 255.789 3.934 10 0 CHAERO CCc1ccc(O[C@H](C[NH3+])c2ccccc2C)cc1 ZINC000043038459 174952938 /nfs/dbraw/zinc/95/29/38/174952938.db2.gz NAWYMBNZOSQCRH-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO Cc1ccccc1[C@@H](Oc1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000043038692 174952946 /nfs/dbraw/zinc/95/29/46/174952946.db2.gz NTPWGXRUHZVNLC-WBMJQRKESA-N 1 0 259.324 3.601 10 0 CHAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC)c1ccccc1Cl ZINC000043088620 174963210 /nfs/dbraw/zinc/96/32/10/174963210.db2.gz IPEDHEBCJQPQRI-ZLKJLUDKSA-N 1 0 255.789 3.934 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OC(C)(C)CC)c1ccccc1OC ZINC000043099963 174966976 /nfs/dbraw/zinc/96/69/76/174966976.db2.gz PKIQPFNPOAHQKH-UKRRQHHQSA-N 1 0 265.397 3.679 10 0 CHAERO CCCCS[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043101617 174967621 /nfs/dbraw/zinc/96/76/21/174967621.db2.gz ONQXAJGXIBLEOJ-BXUZGUMPSA-N 1 0 253.411 3.617 10 0 CHAERO COc1cc(C)ccc1O[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043109041 174973737 /nfs/dbraw/zinc/97/37/37/174973737.db2.gz UJJHGXVCBMWIHI-IAQYHMDHSA-N 1 0 277.389 3.532 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC(C)C)c1cccs1 ZINC000043109868 174974071 /nfs/dbraw/zinc/97/40/71/174974071.db2.gz VFFNOTQEJSDCMR-OUCADQQQSA-N 1 0 255.427 3.978 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OCCCC(C)C)c1cccs1 ZINC000043110844 174974104 /nfs/dbraw/zinc/97/41/04/174974104.db2.gz ABEOQRWXYMFBQZ-GXTWGEPZSA-N 1 0 255.427 3.979 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000043392096 175033995 /nfs/dbraw/zinc/03/39/95/175033995.db2.gz HQFNZJKNPVJFGL-CYBMUJFWSA-N 1 0 271.669 3.805 10 0 CHAERO CCCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]CC ZINC000043460383 175050853 /nfs/dbraw/zinc/05/08/53/175050853.db2.gz GNCJSXOGZXWZKN-CQSZACIVSA-N 1 0 263.381 3.687 10 0 CHAERO Oc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1Cl ZINC000043476685 175054393 /nfs/dbraw/zinc/05/43/93/175054393.db2.gz FMDOBXCPUGWLTC-UHFFFAOYSA-N 1 0 279.742 3.517 10 0 CHAERO C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1Cc1ccc(Cl)s1 ZINC000043653009 175085287 /nfs/dbraw/zinc/08/52/87/175085287.db2.gz GQIUROQBLJAMFS-JFGNBEQYSA-N 1 0 257.830 3.968 10 0 CHAERO CC[NH2+][C@H]1CCCCC[C@H]1CCOCCC(C)C ZINC000043651015 175085338 /nfs/dbraw/zinc/08/53/38/175085338.db2.gz WEXQUCKRCIXQRP-HOTGVXAUSA-N 1 0 255.446 3.998 10 0 CHAERO [NH3+]Cc1ccccc1OCc1sccc1Br ZINC000043674260 175087915 /nfs/dbraw/zinc/08/79/15/175087915.db2.gz GIMOSHGDJVCRKE-UHFFFAOYSA-N 1 0 298.205 3.548 10 0 CHAERO CCC[NH+](CCC)C[C@H](O)c1c(C)cc(C)cc1C ZINC000044120014 175142602 /nfs/dbraw/zinc/14/26/02/175142602.db2.gz JNXCBBQTSBSCME-INIZCTEOSA-N 1 0 263.425 3.767 10 0 CHAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1Cc1cccc(F)c1 ZINC000044467675 175177519 /nfs/dbraw/zinc/17/75/19/175177519.db2.gz WILQFXJNZVDJRX-YOEHRIQHSA-N 1 0 255.336 3.501 10 0 CHAERO Cc1cccc(C(C)C)c1NC(=O)C1(C[NH3+])CCCCC1 ZINC000044762231 175246390 /nfs/dbraw/zinc/24/63/90/175246390.db2.gz QGPRWHFTHSUCBE-UHFFFAOYSA-N 1 0 288.435 3.966 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)c1C ZINC000045169558 175320341 /nfs/dbraw/zinc/32/03/41/175320341.db2.gz DYOLCZFMCCPWMH-HUBLWGQQSA-N 1 0 263.429 3.749 10 0 CHAERO Cc1nc(-c2cccc(C)c2)sc1C[NH2+]C(C)C ZINC000045205715 175327725 /nfs/dbraw/zinc/32/77/25/175327725.db2.gz FSYJZOHGBSYBMZ-UHFFFAOYSA-N 1 0 260.406 3.925 10 0 CHAERO Cc1csc([C@@H]([NH2+]Cc2ccccc2)C2CC2)n1 ZINC000045206232 175327814 /nfs/dbraw/zinc/32/78/14/175327814.db2.gz JNVZZIPIVCDXIA-AWEZNQCLSA-N 1 0 258.390 3.692 10 0 CHAERO CC(C)C[C@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821348 176007531 /nfs/dbraw/zinc/00/75/31/176007531.db2.gz OVQIFVYRZLQSHW-CYBMUJFWSA-N 1 0 268.198 3.682 10 0 CHAERO C[NH2+][C@@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000070840791 176008391 /nfs/dbraw/zinc/00/83/91/176008391.db2.gz PSVHIUIWKDOPNA-QMMMGPOBSA-N 1 0 252.770 3.744 10 0 CHAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)Oc1cc(F)ccc1F ZINC000071167419 176049427 /nfs/dbraw/zinc/04/94/27/176049427.db2.gz CLTJLOCUUJOILF-ZIAGYGMSSA-N 1 0 271.351 3.900 10 0 CHAERO Brc1ccc2c(c1)C[NH2+][C@@H](c1ccccc1)C2 ZINC000071187280 176060838 /nfs/dbraw/zinc/06/08/38/176060838.db2.gz DGBNQVUWSKMOEJ-OAHLLOKOSA-N 1 0 288.188 3.836 10 0 CHAERO C[C@@H](Cc1cccs1)n1c(N)[nH+]c2cc(F)ccc21 ZINC000071271434 176104313 /nfs/dbraw/zinc/10/43/13/176104313.db2.gz SKVUKBVIPBVNHE-VIFPVBQESA-N 1 0 275.352 3.623 10 0 CHAERO CC(C)=CCOc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399554 176152155 /nfs/dbraw/zinc/15/21/55/176152155.db2.gz XOORNHHADCSUTI-UHFFFAOYSA-N 1 0 273.298 3.552 10 0 CHAERO COc1ccc(Cl)cc1[C@H](CCC[NH3+])C(C)C ZINC000071577193 176205535 /nfs/dbraw/zinc/20/55/35/176205535.db2.gz ZAFJRYLMSIJFSJ-GFCCVEGCSA-N 1 0 255.789 3.827 10 0 CHAERO C[C@@](O)(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000071631852 176236893 /nfs/dbraw/zinc/23/68/93/176236893.db2.gz VIAWOZKCIGQCEN-RBUKOAKNSA-N 1 0 281.399 3.561 10 0 CHAERO CC(C)c1c(C[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000071634536 176237903 /nfs/dbraw/zinc/23/79/03/176237903.db2.gz KINPZYMHLVXHCF-UHFFFAOYSA-N 1 0 284.190 3.761 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2c1ccc(F)cc1 ZINC000071642244 176238997 /nfs/dbraw/zinc/23/89/97/176238997.db2.gz YVPHGVTWFKBXOQ-QGZVFWFLSA-N 1 0 285.362 3.805 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2c1ccccc1OC ZINC000071651998 176241508 /nfs/dbraw/zinc/24/15/08/176241508.db2.gz QVAWYZXJPKINDN-GOSISDBHSA-N 1 0 297.398 3.674 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2Cc1ccc(F)cc1 ZINC000071651961 176241565 /nfs/dbraw/zinc/24/15/65/176241565.db2.gz PVGLIJAZTFFRCG-GOSISDBHSA-N 1 0 297.373 3.753 10 0 CHAERO COc1ccc(CCC(C)(C)C[NH3+])cc1C(C)(C)C ZINC000076364193 177003425 /nfs/dbraw/zinc/00/34/25/177003425.db2.gz FMDKWRJCOKQBOD-UHFFFAOYSA-N 1 0 263.425 3.910 10 0 CHAERO COc1cc(C)c([C@@H](C)CC[NH2+]C2CC2)cc1Cl ZINC000076397622 177015159 /nfs/dbraw/zinc/01/51/59/177015159.db2.gz UILKYOQDSWSXJI-JTQLQIEISA-N 1 0 267.800 3.903 10 0 CHAERO CC(C)C1CC(C[NH3+])(c2ccc(Br)cc2)C1 ZINC000076480178 177025970 /nfs/dbraw/zinc/02/59/70/177025970.db2.gz RVHVQBYBOPUTGD-UHFFFAOYSA-N 1 0 282.225 3.712 10 0 CHAERO Cc1nc(-c2ccc(Cl)c(Cl)c2)sc1CC[NH3+] ZINC000076501377 177030051 /nfs/dbraw/zinc/03/00/51/177030051.db2.gz ICDDIWWOKRFXPN-UHFFFAOYSA-N 1 0 287.215 3.927 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccccc1)c1ccccc1F ZINC000076664656 177050596 /nfs/dbraw/zinc/05/05/96/177050596.db2.gz HJZBYCIXNYMVNV-OAHLLOKOSA-N 1 0 257.352 3.891 10 0 CHAERO CSc1ccc([C@@H](C[NH3+])COc2ccccc2)cc1 ZINC000076718112 177069543 /nfs/dbraw/zinc/06/95/43/177069543.db2.gz CQTDWMNZIBLOFP-AWEZNQCLSA-N 1 0 273.401 3.530 10 0 CHAERO [NH3+]CC[C@H](CCc1ccccc1Cl)c1ccccn1 ZINC000076722095 177070090 /nfs/dbraw/zinc/07/00/90/177070090.db2.gz WBLSDMHCQSDMRY-AWEZNQCLSA-N 1 0 274.795 3.800 10 0 CHAERO CCN(c1nc([C@H](C)[NH3+])cs1)c1cccc(C)c1 ZINC000076735268 177076072 /nfs/dbraw/zinc/07/60/72/177076072.db2.gz FSFHYNYLXOMWRI-NSHDSACASA-N 1 0 261.394 3.629 10 0 CHAERO Cc1cc(Cl)ccc1NC(=O)C[C@H](C[NH3+])CC(C)C ZINC000076763265 177086513 /nfs/dbraw/zinc/08/65/13/177086513.db2.gz CJXOWUHHHMNLOI-GFCCVEGCSA-N 1 0 282.815 3.598 10 0 CHAERO COCc1c(C[NH2+]CC(C)C)oc2cc(C)cc(C)c21 ZINC000077071482 177187030 /nfs/dbraw/zinc/18/70/30/177187030.db2.gz UNENOZQGHIKVPH-UHFFFAOYSA-N 1 0 275.392 3.942 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2)o1 ZINC000220880648 260140472 /nfs/dbraw/zinc/14/04/72/260140472.db2.gz BOGMYKJSJWMDDM-GXTWGEPZSA-N 1 0 258.365 3.655 10 0 CHAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2coc3ccccc23)cc1 ZINC000070391884 260157111 /nfs/dbraw/zinc/15/71/11/260157111.db2.gz PKRZPDVZRYKSHM-LLVKDONJSA-N 1 0 280.327 3.705 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000080428764 260181172 /nfs/dbraw/zinc/18/11/72/260181172.db2.gz VCPOBSZTLXFLKZ-DXCKQFNASA-N 1 0 274.408 3.874 10 0 CHAERO CC1CCC(C[NH2+]C[C@@H](c2cccs2)N(C)C)CC1 ZINC000089575654 260237593 /nfs/dbraw/zinc/23/75/93/260237593.db2.gz OOBARJCAXKDKEY-NRXISQOPSA-N 1 0 280.481 3.767 10 0 CHAERO C[C@H](C(=O)Nc1cccc(Cl)c1)[C@H]([NH3+])c1ccccc1 ZINC000130058783 260392199 /nfs/dbraw/zinc/39/21/99/260392199.db2.gz YCGVQNKZECLDSJ-NHYWBVRUSA-N 1 0 288.778 3.615 10 0 CHAERO Cc1cccc(CCC[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000181048607 260561097 /nfs/dbraw/zinc/56/10/97/260561097.db2.gz PNVPDHPFQSUMKY-UHFFFAOYSA-N 1 0 297.446 3.541 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000300410905 261198952 /nfs/dbraw/zinc/19/89/52/261198952.db2.gz KPPMYTAASKKRIL-BPUTZDHNSA-N 1 0 281.827 3.932 10 0 CHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000106208025 261322869 /nfs/dbraw/zinc/32/28/69/261322869.db2.gz BUSWPLZIUHNXHL-SFHVURJKSA-N 1 0 297.446 3.807 10 0 CHAERO CC1(C)CC[C@H]([NH2+]CC2CCOCC2)c2ccccc21 ZINC000107064217 261375705 /nfs/dbraw/zinc/37/57/05/261375705.db2.gz RLLOMHUMYPFJCC-KRWDZBQOSA-N 1 0 273.420 3.815 10 0 CHAERO Cc1c([C@H](C)[NH2+][C@H](C)C(C)C)cnn1C(C)(C)C ZINC000191127242 262189443 /nfs/dbraw/zinc/18/94/43/262189443.db2.gz FLDWIBUVIFYHNE-NEPJUHHUSA-N 1 0 251.418 3.642 10 0 CHAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000228534251 262340407 /nfs/dbraw/zinc/34/04/07/262340407.db2.gz MHKFWAOGSZMWSL-KCPJHIHWSA-N 1 0 299.245 3.553 10 0 CHAERO C[C@H](NC(=O)CCCCCC[NH3+])[C@@H](C)C1CCCCC1 ZINC000161586422 264289799 /nfs/dbraw/zinc/28/97/99/264289799.db2.gz RIDBKWMNKDYMHK-CABCVRRESA-N 1 0 282.472 3.617 10 0 CHAERO Oc1cccc2c1CC[C@H]2[NH2+]CCCCC(F)(F)F ZINC000148856216 264393933 /nfs/dbraw/zinc/39/39/33/264393933.db2.gz PLRSCTLJCUDHDQ-GFCCVEGCSA-N 1 0 273.298 3.702 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378670533 327750002 /nfs/dbraw/zinc/75/00/02/327750002.db2.gz CVUAZTHTEJQWMW-ZKKRXERASA-N 1 0 255.814 3.892 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)cc1OC ZINC000397621347 327866863 /nfs/dbraw/zinc/86/68/63/327866863.db2.gz LIDJGVJLZPLAQY-SCRDCRAPSA-N 1 0 277.408 3.789 10 0 CHAERO C[C@@H](c1c(F)cccc1F)N1CC[NH2+]Cc2ccccc21 ZINC000062818194 327895573 /nfs/dbraw/zinc/89/55/73/327895573.db2.gz PKPLTRKRDOKDIS-LBPRGKRZSA-N 1 0 288.341 3.636 10 0 CHAERO C[C@@H]([NH3+])CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000040856013 328021684 /nfs/dbraw/zinc/02/16/84/328021684.db2.gz RHDDEZAKUZDNSZ-GFCCVEGCSA-N 1 0 286.400 3.514 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000050182389 328388201 /nfs/dbraw/zinc/38/82/01/328388201.db2.gz GAAINVUWPVEQDM-JKSUJKDBSA-N 1 0 277.456 3.845 10 0 CHAERO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000126507195 328392356 /nfs/dbraw/zinc/39/23/56/328392356.db2.gz GDZOBPOYFDDBSM-GXTWGEPZSA-N 1 0 277.433 3.959 10 0 CHAERO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CCO1 ZINC000388897665 328584228 /nfs/dbraw/zinc/58/42/28/328584228.db2.gz MAWCZAGZRLOVIX-FVCCEPFGSA-N 1 0 279.346 3.512 10 0 CHAERO COc1ccccc1C1CC([NH2+][C@@H](C)c2cccnc2)C1 ZINC000036843430 326829313 /nfs/dbraw/zinc/82/93/13/326829313.db2.gz SAGJEQPUFGESDM-JEYLPNPQSA-N 1 0 282.387 3.687 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C[C@H](C)O1 ZINC000558967926 327135462 /nfs/dbraw/zinc/13/54/62/327135462.db2.gz CVUPYJYMKHDCHO-BTTYYORXSA-N 1 0 265.441 3.748 10 0 CHAERO COc1ccc(C)cc1[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000036961293 327258219 /nfs/dbraw/zinc/25/82/19/327258219.db2.gz KAFTVLRRGVHHNZ-AWEZNQCLSA-N 1 0 281.399 3.822 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1C ZINC000300410861 332814382 /nfs/dbraw/zinc/81/43/82/332814382.db2.gz KJFCVEXXCUIQNZ-BQFCYCMXSA-N 1 0 275.436 3.814 10 0 CHAERO C=Cn1cc(C[N@@H+](C)[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000193687783 329060757 /nfs/dbraw/zinc/06/07/57/329060757.db2.gz IDCBMODKZCEJMN-GFCCVEGCSA-N 1 0 275.783 3.830 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC[C@@H](C)c1ccccc1 ZINC000194042894 329065200 /nfs/dbraw/zinc/06/52/00/329065200.db2.gz GTCSNTXQXTUFSZ-VQIMIIECSA-N 1 0 297.446 3.850 10 0 CHAERO C=Cn1cc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000194257597 329077789 /nfs/dbraw/zinc/07/77/89/329077789.db2.gz BNXHKDSOCRRGLL-JTQLQIEISA-N 1 0 279.746 3.627 10 0 CHAERO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172027753 329083431 /nfs/dbraw/zinc/08/34/31/329083431.db2.gz WIYFNMNXWOQCGF-MRXNPFEDSA-N 1 0 299.370 3.698 10 0 CHAERO CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000172271966 329084435 /nfs/dbraw/zinc/08/44/35/329084435.db2.gz KBTLLNWTFIRRRB-GOSISDBHSA-N 1 0 299.418 3.924 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c2nccn21 ZINC000394227378 329104976 /nfs/dbraw/zinc/10/49/76/329104976.db2.gz GLQQJRZRMKHJHF-KXNHARMFSA-N 1 0 287.329 3.600 10 0 CHAERO CCn1ccnc1CN1CCCC[C@H]1c1ccc(C)o1 ZINC000172869160 329139544 /nfs/dbraw/zinc/13/95/44/329139544.db2.gz LFJLSZZVGOIMRI-AWEZNQCLSA-N 1 0 273.380 3.532 10 0 CHAERO CCn1ccnc1CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000172869155 329139548 /nfs/dbraw/zinc/13/95/48/329139548.db2.gz LFJLSZZVGOIMRI-CQSZACIVSA-N 1 0 273.380 3.532 10 0 CHAERO COc1cccc(CN2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000172868494 329139633 /nfs/dbraw/zinc/13/96/33/329139633.db2.gz PNWFMCSHSZYFES-HNNXBMFYSA-N 1 0 286.375 3.719 10 0 CHAERO O=C(Nc1ccc2ccccc2c1)[C@H]1CCCn2ccnc21 ZINC000175918633 329171058 /nfs/dbraw/zinc/17/10/58/329171058.db2.gz SDOUEJVSQVYKHJ-INIZCTEOSA-N 1 0 291.354 3.552 10 0 CHAERO CCCCC[C@H](CC)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000180297300 329219397 /nfs/dbraw/zinc/21/93/97/329219397.db2.gz DPIUFNLPJKWMQK-INIZCTEOSA-N 1 0 294.483 3.680 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCCO1 ZINC000180791844 329223123 /nfs/dbraw/zinc/22/31/23/329223123.db2.gz PBDBXPVVIIEXJP-BBRMVZONSA-N 1 0 287.359 3.729 10 0 CHAERO COCc1cccc(C[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000188946628 329375800 /nfs/dbraw/zinc/37/58/00/329375800.db2.gz ANFMZOFMYAKRQH-SFHVURJKSA-N 1 0 297.398 3.755 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1 ZINC000188949684 329375897 /nfs/dbraw/zinc/37/58/97/329375897.db2.gz ANVSQDPAUDWGCL-INIZCTEOSA-N 1 0 289.325 3.887 10 0 CHAERO Cc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)cc1 ZINC000189958550 329390810 /nfs/dbraw/zinc/39/08/10/329390810.db2.gz QUYCVCYYCSLXNJ-UHFFFAOYSA-N 1 0 287.432 3.528 10 0 CHAERO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@H](C)O2)o1 ZINC000190598898 329398398 /nfs/dbraw/zinc/39/83/98/329398398.db2.gz QMQNEPPKLQXYOV-QEJZJMRPSA-N 1 0 263.381 3.683 10 0 CHAERO CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1cccc(Cl)c1 ZINC000040773863 329558051 /nfs/dbraw/zinc/55/80/51/329558051.db2.gz RJFPDJIHOAYOIT-HUUCEWRRSA-N 1 0 269.816 3.788 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CCCC(C)C)c1C ZINC000045172027 329597307 /nfs/dbraw/zinc/59/73/07/329597307.db2.gz KSFAUZCOSOGURX-LBPRGKRZSA-N 1 0 251.418 3.607 10 0 CHAERO CC[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1 ZINC000051628097 329653198 /nfs/dbraw/zinc/65/31/98/329653198.db2.gz MFDJKYOELHZGHB-HNNXBMFYSA-N 1 0 286.350 3.505 10 0 CHAERO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3cccnc3)C2)cc1 ZINC000245596049 329712693 /nfs/dbraw/zinc/71/26/93/329712693.db2.gz IORXWPBXXJBDQW-SJLPKXTDSA-N 1 0 295.430 3.710 10 0 CHAERO Cc1cccc([C@@H](C)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000075639132 329874830 /nfs/dbraw/zinc/87/48/30/329874830.db2.gz ZWIBWLNYJZCJFF-MRXNPFEDSA-N 1 0 272.436 3.616 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000247112901 329879555 /nfs/dbraw/zinc/87/95/55/329879555.db2.gz PGCPOZHNKKNWCE-QMCVQRASSA-N 1 0 259.393 3.603 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(F)c1F ZINC000248735400 329898217 /nfs/dbraw/zinc/89/82/17/329898217.db2.gz PONYPPKCIKAPLE-PBXWNFIWSA-N 1 0 293.357 3.573 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1C ZINC000248770589 329899057 /nfs/dbraw/zinc/89/90/57/329899057.db2.gz HFNQBWFBUPDKPQ-JCGIZDLHSA-N 1 0 273.420 3.912 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1C ZINC000248807727 329899543 /nfs/dbraw/zinc/89/95/43/329899543.db2.gz KFJBIBBEWFQILQ-QILLFSRXSA-N 1 0 273.420 3.912 10 0 CHAERO Cc1ccc(C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C2CC2)cc1 ZINC000248815443 329899688 /nfs/dbraw/zinc/89/96/88/329899688.db2.gz KYNDUUUCKXMKKI-HSALFYBXSA-N 1 0 299.458 3.863 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248857007 329900875 /nfs/dbraw/zinc/90/08/75/329900875.db2.gz PKJJEJMIBUKADN-IAOVAPTHSA-N 1 0 259.393 3.603 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](C3CC3)C1)[C@H](C)C2 ZINC000248870557 329901189 /nfs/dbraw/zinc/90/11/89/329901189.db2.gz QNOKADMWIITOQE-ZQNRLITLSA-N 1 0 285.431 3.776 10 0 CHAERO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc(F)c1 ZINC000249208284 329905507 /nfs/dbraw/zinc/90/55/07/329905507.db2.gz WXJIUOVOIUJNGC-CAOSSQGBSA-N 1 0 277.383 3.680 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)c(C)s1 ZINC000251082634 329925177 /nfs/dbraw/zinc/92/51/77/329925177.db2.gz QNEHHZBGDNKGHX-NILFDRSVSA-N 1 0 267.438 3.709 10 0 CHAERO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000044690538 330332140 /nfs/dbraw/zinc/33/21/40/330332140.db2.gz YXSCNKARGJAEPV-KGLIPLIRSA-N 1 0 261.409 3.641 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2CCCCC2)c1C ZINC000045169586 330340580 /nfs/dbraw/zinc/34/05/80/330340580.db2.gz QQJNWHMJCYZMKP-GFCCVEGCSA-N 1 0 263.429 3.751 10 0 CHAERO CCCn1cc(C[NH2+][C@@H](C)c2ccc(CC)cc2)cn1 ZINC000116912107 330361366 /nfs/dbraw/zinc/36/13/66/330361366.db2.gz FNRGANUBEAAIDB-AWEZNQCLSA-N 1 0 271.408 3.706 10 0 CHAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000536955154 330383028 /nfs/dbraw/zinc/38/30/28/330383028.db2.gz UVWVVITWJWJWIX-DGCLKSJQSA-N 1 0 268.198 3.552 10 0 CHAERO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000090037123 330390086 /nfs/dbraw/zinc/39/00/86/330390086.db2.gz DFFWCCJZJUUEOG-OLZOCXBDSA-N 1 0 271.408 3.895 10 0 CHAERO Cc1ncc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000090400123 330392415 /nfs/dbraw/zinc/39/24/15/330392415.db2.gz NYAIZWSERKUCDE-GXFFZTMASA-N 1 0 274.389 3.626 10 0 CHAERO CCCn1ccc(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000091010016 330397800 /nfs/dbraw/zinc/39/78/00/330397800.db2.gz YYUQLFWCTAXTGI-UHFFFAOYSA-N 1 0 262.784 3.841 10 0 CHAERO Fc1ccccc1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000121381346 330399672 /nfs/dbraw/zinc/39/96/72/330399672.db2.gz WQQUHFNKAPLUTE-HNNXBMFYSA-N 1 0 259.324 3.798 10 0 CHAERO C[C@@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)c1cnn(C)c1 ZINC000312307659 330462525 /nfs/dbraw/zinc/46/25/25/330462525.db2.gz YJINFIXKQYXWAQ-FFKNIBCLSA-N 1 0 289.810 3.670 10 0 CHAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)c2ccccc21 ZINC000149237432 330574054 /nfs/dbraw/zinc/57/40/54/330574054.db2.gz SCFUGXSBKXZUAM-SUMWQHHRSA-N 1 0 252.361 3.810 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1C ZINC000153757871 330648172 /nfs/dbraw/zinc/64/81/72/330648172.db2.gz ZFVODSBJVBKEML-UAGQMJEPSA-N 1 0 261.409 3.505 10 0 CHAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1COc2ccccc21 ZINC000163432670 331039107 /nfs/dbraw/zinc/03/91/07/331039107.db2.gz RRIFAOOAGSTDSR-ZYHUDNBSSA-N 1 0 273.298 3.831 10 0 CHAERO CC[C@H](CCO)[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000166093069 331306593 /nfs/dbraw/zinc/30/65/93/331306593.db2.gz BECVCGDBTLFJTQ-MJGOQNOKSA-N 1 0 283.415 3.835 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1 ZINC000166066186 331306655 /nfs/dbraw/zinc/30/66/55/331306655.db2.gz AJACNEGVBKVNRO-RBUKOAKNSA-N 1 0 283.415 3.691 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C[C@H](C)O1 ZINC000466424274 331396535 /nfs/dbraw/zinc/39/65/35/331396535.db2.gz DNKKVMLWTKZBMM-MIFYACCESA-N 1 0 267.457 3.996 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000466426063 331396659 /nfs/dbraw/zinc/39/66/59/331396659.db2.gz RIYMEFUQSPPNFP-DABQJJPHSA-N 1 0 267.800 3.633 10 0 CHAERO c1c2ccccc2oc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247288993 334278743 /nfs/dbraw/zinc/27/87/43/334278743.db2.gz UAXRPYWKBRNBAC-WBVHZDCISA-N 1 0 271.360 3.576 10 0 CHAERO COc1ccc(C[NH2+][C@@H](C)C(C)C)c(Br)c1 ZINC000304617941 332973169 /nfs/dbraw/zinc/97/31/69/332973169.db2.gz XALFFQLXPWPXBQ-JTQLQIEISA-N 1 0 286.213 3.592 10 0 CHAERO C[C@H]1C[C@@H]1Nc1ccnc2c(Br)cccc12 ZINC000309794773 333049682 /nfs/dbraw/zinc/04/96/82/333049682.db2.gz PWYHMSCKTWJHPK-UFBFGSQYSA-N 1 0 277.165 3.818 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)COCc2ccccc2)cc1 ZINC000178066022 333067370 /nfs/dbraw/zinc/06/73/70/333067370.db2.gz SEIFOEIVUDXLCY-JKSUJKDBSA-N 1 0 299.414 3.951 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)s1 ZINC000089216109 333095705 /nfs/dbraw/zinc/09/57/05/333095705.db2.gz BKHMHNLXABAOHN-GARJFASQSA-N 1 0 284.856 3.677 10 0 CHAERO COCC(C)(C)C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000336843761 335120836 /nfs/dbraw/zinc/12/08/36/335120836.db2.gz XSYDOOQOADEDNV-CQSZACIVSA-N 1 0 277.408 3.551 10 0 CHAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000219006355 333140123 /nfs/dbraw/zinc/14/01/23/333140123.db2.gz CULPMWJEEYMKHU-RDJZCZTQSA-N 1 0 275.436 3.625 10 0 CHAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000219017366 333140371 /nfs/dbraw/zinc/14/03/71/333140371.db2.gz QBEUBUBNMFKNAG-SMDDNHRTSA-N 1 0 288.218 3.634 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCOCC2 ZINC000186222845 333156816 /nfs/dbraw/zinc/15/68/16/333156816.db2.gz YJWNTDBNHPYCRD-IAGOWNOFSA-N 1 0 295.467 3.521 10 0 CHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186315835 333158527 /nfs/dbraw/zinc/15/85/27/333158527.db2.gz RWFUUIZLWWWNJU-NXOAAHMSSA-N 1 0 297.483 3.765 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+]CC2(CC)CCCC2)C12CCOCC2 ZINC000186387637 333159902 /nfs/dbraw/zinc/15/99/02/333159902.db2.gz BJKKHUJGCCFNSB-HZPDHXFCSA-N 1 0 295.467 3.521 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Cl)cc1Cl ZINC000222698515 333198948 /nfs/dbraw/zinc/19/89/48/333198948.db2.gz HVHIIAVYYPLLGG-JQWIXIFHSA-N 1 0 287.234 3.738 10 0 CHAERO C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)C1CCCC1 ZINC000225280379 333234463 /nfs/dbraw/zinc/23/44/63/333234463.db2.gz BPKGTLWACXPPFU-VIFPVBQESA-N 1 0 257.299 3.772 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CCC2(C)C)CCO1 ZINC000225802627 333240690 /nfs/dbraw/zinc/24/06/90/333240690.db2.gz WQOJLVVWQIHBBP-UKPHBRMFSA-N 1 0 273.420 3.857 10 0 CHAERO CC(C)n1cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000226240420 333254784 /nfs/dbraw/zinc/25/47/84/333254784.db2.gz LDJMBUWDLDDTCF-OLZOCXBDSA-N 1 0 289.345 3.675 10 0 CHAERO Clc1csc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000194371061 333270088 /nfs/dbraw/zinc/27/00/88/333270088.db2.gz JMXRSJRIQYTYST-UHFFFAOYSA-N 1 0 281.812 3.504 10 0 CHAERO CCCn1cc(C[NH2+][C@H](C)c2ccc(C)cc2C)cn1 ZINC000227284470 333279602 /nfs/dbraw/zinc/27/96/02/333279602.db2.gz UURRSUQWFABGEB-OAHLLOKOSA-N 1 0 271.408 3.761 10 0 CHAERO C[C@H](O)CCC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000228029110 333293223 /nfs/dbraw/zinc/29/32/23/333293223.db2.gz ZCTVPWOQJJSTIT-IUCAKERBSA-N 1 0 294.197 3.944 10 0 CHAERO [NH3+]CC1(CC(=O)Nc2ccc(F)c(Cl)c2)CCCCC1 ZINC000229398029 333304495 /nfs/dbraw/zinc/30/44/95/333304495.db2.gz RXKOQTCHKPBCOZ-UHFFFAOYSA-N 1 0 298.789 3.717 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1C ZINC000250440626 333305365 /nfs/dbraw/zinc/30/53/65/333305365.db2.gz BDOQRKPUMGSQKO-WFGGJUAMSA-N 1 0 277.456 3.995 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCCCSC)c1C ZINC000229583791 333306583 /nfs/dbraw/zinc/30/65/83/333306583.db2.gz VRVZGGSETQCXMC-GFCCVEGCSA-N 1 0 283.485 3.704 10 0 CHAERO COC1CC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000230676043 333320489 /nfs/dbraw/zinc/32/04/89/333320489.db2.gz RMDRBNVKUZTAQU-MFAVDMRSSA-N 1 0 274.191 3.821 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000231673412 333327265 /nfs/dbraw/zinc/32/72/65/333327265.db2.gz SSDZNQFWDRSKAS-ZYHUDNBSSA-N 1 0 252.427 3.719 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000231673909 333327377 /nfs/dbraw/zinc/32/73/77/333327377.db2.gz MKZOEMHWUNNMAU-ZYHUDNBSSA-N 1 0 255.308 3.566 10 0 CHAERO C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000397643729 333426735 /nfs/dbraw/zinc/42/67/35/333426735.db2.gz SSYPQPVGBFUEJP-RRFJBIMHSA-N 1 0 255.446 3.590 10 0 CHAERO Cc1nocc1C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000339174463 335142077 /nfs/dbraw/zinc/14/20/77/335142077.db2.gz SUISPFJRXXJSMT-GFCCVEGCSA-N 1 0 266.344 3.987 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc2c(s1)CCCC2 ZINC000130051689 333809698 /nfs/dbraw/zinc/80/96/98/333809698.db2.gz UZUXGSJJLBOPRY-OBJOEFQTSA-N 1 0 279.449 3.845 10 0 CHAERO CCCCCN(CCCCC)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576431 333817449 /nfs/dbraw/zinc/81/74/49/333817449.db2.gz MHKHYKZRPSBHOX-CVEARBPZSA-N 1 0 282.472 3.713 10 0 CHAERO CCC[C@H](O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000131095390 333899766 /nfs/dbraw/zinc/89/97/66/333899766.db2.gz RCHYECIEDKNCDS-IUCAKERBSA-N 1 0 294.197 3.944 10 0 CHAERO C[C@H]([NH3+])[C@@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881324 334140555 /nfs/dbraw/zinc/14/05/55/334140555.db2.gz MHHJICGSBLADCB-JWMHWRSXSA-N 1 0 266.473 3.508 10 0 CHAERO CCC[C@@H](C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000245841002 334221200 /nfs/dbraw/zinc/22/12/00/334221200.db2.gz JWBCMBCFBKLVPI-ZWKOTPCHSA-N 1 0 297.446 3.793 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)[C@H]1CCCO1 ZINC000247033679 334274500 /nfs/dbraw/zinc/27/45/00/334274500.db2.gz VRJIBFZSOYLHRE-MISXGVKJSA-N 1 0 276.405 3.514 10 0 CHAERO CC[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000246151994 334236752 /nfs/dbraw/zinc/23/67/52/334236752.db2.gz CGVWVZKZYADEFI-KFWWJZLASA-N 1 0 255.446 3.590 10 0 CHAERO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)s1 ZINC000247067581 334274976 /nfs/dbraw/zinc/27/49/76/334274976.db2.gz RXCIKZKHIAONTN-OUCADQQQSA-N 1 0 267.438 3.512 10 0 CHAERO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)[nH]n1 ZINC000246528304 334263248 /nfs/dbraw/zinc/26/32/48/334263248.db2.gz VEDHCYBLLPYCDX-MAZHCROVSA-N 1 0 277.456 3.844 10 0 CHAERO CN(CC[N@@H+]1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000246741760 334268742 /nfs/dbraw/zinc/26/87/42/334268742.db2.gz YPBZYZTYQWKRTC-INIZCTEOSA-N 1 0 270.376 3.553 10 0 CHAERO CC(C)(C)CC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246756709 334269093 /nfs/dbraw/zinc/26/90/93/334269093.db2.gz QMSURONWMOBLBN-DOMZBBRYSA-N 1 0 283.362 3.509 10 0 CHAERO FC(F)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000248390112 334299860 /nfs/dbraw/zinc/29/98/60/334299860.db2.gz HLOAKYILMJCMEG-CABCVRRESA-N 1 0 281.346 3.768 10 0 CHAERO Cc1csc([C@@H]2C[N@H+](C[C@H]3CCCC[C@H]3C)CCO2)n1 ZINC000248508768 334304417 /nfs/dbraw/zinc/30/44/17/334304417.db2.gz YIWAOTUUDZWWFI-YUELXQCFSA-N 1 0 294.464 3.651 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc(Br)c1 ZINC000248535074 334305240 /nfs/dbraw/zinc/30/52/40/334305240.db2.gz XBRYSVNTCYOJGG-COPLHBTASA-N 1 0 298.224 3.667 10 0 CHAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cc(Cl)cs1)CC2 ZINC000248655550 334311397 /nfs/dbraw/zinc/31/13/97/334311397.db2.gz BSTAPPBOXYAJLZ-SMDDNHRTSA-N 1 0 285.840 3.529 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1csc(Cl)c1 ZINC000248747017 334315543 /nfs/dbraw/zinc/31/55/43/334315543.db2.gz ZHUJRZRAGMKSOF-JBLDHEPKSA-N 1 0 273.829 3.603 10 0 CHAERO CCCC[C@H](CC)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000248856682 334319729 /nfs/dbraw/zinc/31/97/29/334319729.db2.gz DOMMMCCWSVEFOW-JKSUJKDBSA-N 1 0 292.471 3.694 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000249292901 334331655 /nfs/dbraw/zinc/33/16/55/334331655.db2.gz AVJPMLHONVZRAY-NTZNESFSSA-N 1 0 296.480 3.967 10 0 CHAERO C[C@H]1CCCC[C@@H]1[NH2+]CCCc1nc2ccccc2n1C ZINC000090050909 334356521 /nfs/dbraw/zinc/35/65/21/334356521.db2.gz GBXZDAWLVKIPKI-GJZGRUSLSA-N 1 0 285.435 3.674 10 0 CHAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000251307801 334359554 /nfs/dbraw/zinc/35/95/54/334359554.db2.gz JIXFJKWHGWNZFT-RQJABVFESA-N 1 0 293.373 3.901 10 0 CHAERO CCCNC(=O)CC[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000091304354 334375772 /nfs/dbraw/zinc/37/57/72/334375772.db2.gz QFWBAVLWGAOTJA-MRXNPFEDSA-N 1 0 296.842 3.543 10 0 CHAERO C[C@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)C[C@@H](C)C1 ZINC000252180403 334376154 /nfs/dbraw/zinc/37/61/54/334376154.db2.gz SUQHJCYFEGSDMZ-ORIJERBGSA-N 1 0 286.419 3.509 10 0 CHAERO CC[C@H]([NH2+]CC1CC(O)C1)c1ccc(Cl)c(Cl)c1 ZINC000091524114 334379721 /nfs/dbraw/zinc/37/97/21/334379721.db2.gz IMHQECXLKFJZPR-IUVQJJGASA-N 1 0 288.218 3.805 10 0 CHAERO OC1CC(C[NH2+][C@H](c2ccccc2)C2CCCCC2)C1 ZINC000091538815 334379899 /nfs/dbraw/zinc/37/98/99/334379899.db2.gz SERMQGKEZZNILJ-IUPXNIOVSA-N 1 0 273.420 3.669 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000252725593 334386681 /nfs/dbraw/zinc/38/66/81/334386681.db2.gz UWAGRUXSUKPGNX-VSYUYLJXSA-N 1 0 284.172 3.574 10 0 CHAERO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1cccs1 ZINC000309587226 334703705 /nfs/dbraw/zinc/70/37/05/334703705.db2.gz SIBADNWLVXTZFC-MRVPVSSYSA-N 1 0 251.317 3.987 10 0 CHAERO CC(C)CC[NH2+]C[C@H](C)Sc1ccccc1F ZINC000053605402 519663294 /nfs/dbraw/zinc/66/32/94/519663294.db2.gz UYGXZAAUVOBIPY-LBPRGKRZSA-N 1 0 255.402 3.942 10 0 CHAERO CCCC1CCC([NH2+][C@H]2CCCC[C@H]2OC)CC1 ZINC000049543719 519899322 /nfs/dbraw/zinc/89/93/22/519899322.db2.gz LYIPONVYQMGVOG-SSHXOBKSSA-N 1 0 253.430 3.893 10 0 CHAERO CCC[NH2+]Cc1cnc(N(C)C[C@@H](C)CC)c(Cl)c1 ZINC000051442453 519963073 /nfs/dbraw/zinc/96/30/73/519963073.db2.gz HEAYDKRNPMDOOG-LBPRGKRZSA-N 1 0 283.847 3.717 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCCC[C@@H]2C)nc1CCC ZINC000054995260 519975025 /nfs/dbraw/zinc/97/50/25/519975025.db2.gz KHYIJNBOQAIACU-ZDUSSCGKSA-N 1 0 295.496 3.974 10 0 CHAERO CCC[NH2+][C@@H](CCN(C)c1ccccc1)C(C)(C)C ZINC000054027019 519996377 /nfs/dbraw/zinc/99/63/77/519996377.db2.gz OWANUJAZWWSGNK-INIZCTEOSA-N 1 0 262.441 3.927 10 0 CHAERO CC[NH2+]Cc1ccc(CO[C@H]2CCC[C@H](C)C2)cc1 ZINC000052632096 519998098 /nfs/dbraw/zinc/99/80/98/519998098.db2.gz NRLFOUHJBNIKAP-YOEHRIQHSA-N 1 0 261.409 3.891 10 0 CHAERO CC[NH2+]Cc1sc(N(C)[C@@H](C)C(C)(C)C)nc1CC ZINC000054998639 520032491 /nfs/dbraw/zinc/03/24/91/520032491.db2.gz MAMFKSHULHXHIC-NSHDSACASA-N 1 0 283.485 3.686 10 0 CHAERO CC[NH2+][C@@H]1CCCc2nc(N3CCC[C@@H]3CC)sc21 ZINC000054898950 520118522 /nfs/dbraw/zinc/11/85/22/520118522.db2.gz JPBUPXZIHXZWME-NWDGAFQWSA-N 1 0 279.453 3.509 10 0 CHAERO CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703829 520118573 /nfs/dbraw/zinc/11/85/73/520118573.db2.gz SRPVKKDFWQJMCY-CHWSQXEVSA-N 1 0 273.298 3.831 10 0 CHAERO CC[NH2+][C@H](CCCCOCC(F)(F)F)C(C)(C)C ZINC000049312797 520185649 /nfs/dbraw/zinc/18/56/49/520185649.db2.gz OXOIIZJVZCBYIT-LLVKDONJSA-N 1 0 269.351 3.760 10 0 CHAERO CCCCOCC[C@@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000052947630 520794330 /nfs/dbraw/zinc/79/43/30/520794330.db2.gz SLIOQNTZIHWGFV-CQSZACIVSA-N 1 0 269.816 3.664 10 0 CHAERO CCCN(CC(F)(F)F)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052504126 521585931 /nfs/dbraw/zinc/58/59/31/521585931.db2.gz GRIOESWWQKLRSK-ZDUSSCGKSA-N 1 0 282.394 3.675 10 0 CHAERO C[NH2+]C[C@@H](OC1CCCCCC1)c1ccccc1F ZINC000050501140 522036225 /nfs/dbraw/zinc/03/62/25/522036225.db2.gz XGYHASFELDVBFY-MRXNPFEDSA-N 1 0 265.372 3.826 10 0 CHAERO CC[C@@H](C)[NH2+]CCn1cc(Br)c2ccccc21 ZINC000055310790 522227035 /nfs/dbraw/zinc/22/70/35/522227035.db2.gz ADPUXBGYSHOZAQ-LLVKDONJSA-N 1 0 295.224 3.792 10 0 CHAERO CCc1nc(N2CCCCCC2)sc1C[NH2+]CC(C)C ZINC000054995657 522382683 /nfs/dbraw/zinc/38/26/83/522382683.db2.gz SPJYJYUSQTZMSY-UHFFFAOYSA-N 1 0 295.496 3.832 10 0 CHAERO C[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231486 522491368 /nfs/dbraw/zinc/49/13/68/522491368.db2.gz APOWJCFUARJCLP-OLZOCXBDSA-N 1 0 257.299 3.951 10 0 CHAERO CC(C)(C)CC(C)(C)[NH2+]C[C@@](C)(N)c1ccccc1 ZINC000052883611 518629783 /nfs/dbraw/zinc/62/97/83/518629783.db2.gz TVQQKZNYQQTNFW-QGZVFWFLSA-N 1 0 262.441 3.665 10 0 CHAERO CC(C)(C)[NH2+]C[C@H]1C[C@]1(C)c1c(F)cccc1F ZINC000054597081 518761958 /nfs/dbraw/zinc/76/19/58/518761958.db2.gz JPHQEJSFMPZMJY-BMIGLBTASA-N 1 0 253.336 3.631 10 0 CHAERO CC(C)C[C@@H]1[NH2+]CC[C@@H]1c1cccc(OC(C)C)c1 ZINC000054929178 519281127 /nfs/dbraw/zinc/28/11/27/519281127.db2.gz KFOCBSIYOWDCLY-SJORKVTESA-N 1 0 261.409 3.965 10 0 CHAERO CC(C)C[C@H](C)N(C)c1ccc(Cl)cc1C[NH3+] ZINC000052857448 519313898 /nfs/dbraw/zinc/31/38/98/519313898.db2.gz WOIVFIYRCNAXOC-NSHDSACASA-N 1 0 254.805 3.670 10 0 CHAERO CC(C)C[C@H](C[NH+](C)C)Nc1ncc(Cl)cc1Cl ZINC000049558264 519344877 /nfs/dbraw/zinc/34/48/77/519344877.db2.gz BLUIQZNQYGEKKF-LLVKDONJSA-N 1 0 290.238 3.777 10 0 CHAERO CC(C)C[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccc(F)cc1 ZINC000062707751 519414484 /nfs/dbraw/zinc/41/44/84/519414484.db2.gz VPDXOYSJPHZCNK-ZWKOTPCHSA-N 1 0 292.442 3.670 10 0 CHAERO CC(C)N1C[C@@H](Cc2ccccc2)[NH2+]Cc2ccccc21 ZINC000062671278 519693753 /nfs/dbraw/zinc/69/37/53/519693753.db2.gz WOMLGRUMIDVSOM-GOSISDBHSA-N 1 0 280.415 3.616 10 0 CHAERO CC(C)CN(CC(C)C)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054896488 519713524 /nfs/dbraw/zinc/71/35/24/519713524.db2.gz GBYLUTCXVPOSJZ-GFCCVEGCSA-N 1 0 281.469 3.598 10 0 CHAERO CC(C)C[NH2+]CC1(CC2CCCC2)CCOCC1 ZINC000061674575 519742766 /nfs/dbraw/zinc/74/27/66/519742766.db2.gz WKTCSMUSFUPRMN-UHFFFAOYSA-N 1 0 253.430 3.609 10 0 CHAERO CC(C)C[NH2+]CC[C@H](C)N1CCc2sccc2[C@@H]1C ZINC000052505658 519744574 /nfs/dbraw/zinc/74/45/74/519744574.db2.gz LBGJVHKEINAVRM-KBPBESRZSA-N 1 0 280.481 3.691 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@H]1c1cccc(OC(C)C)c1 ZINC000054598372 519746451 /nfs/dbraw/zinc/74/64/51/519746451.db2.gz UWXPMNBNRGKVGD-WBVHZDCISA-N 1 0 261.409 3.823 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccccc1Cl ZINC000049195605 519793957 /nfs/dbraw/zinc/79/39/57/519793957.db2.gz CBLWCSKXTABELY-IUODEOHRSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)[C@@H]1C[N@H+](CCCc2ccccc2)[C@@H](C(C)C)CN1 ZINC000062705142 519804519 /nfs/dbraw/zinc/80/45/19/519804519.db2.gz PYHNPUXPPOMURA-RBUKOAKNSA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000049196889 519814673 /nfs/dbraw/zinc/81/46/73/519814673.db2.gz AVDWUHBTPISYKB-ZDUSSCGKSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@H](C[NH2+]C1CC1)N(Cc1cccs1)C(C)C ZINC000052544907 519815775 /nfs/dbraw/zinc/81/57/75/519815775.db2.gz PGVSEDJMQOBWLQ-INIZCTEOSA-N 1 0 280.481 3.735 10 0 CHAERO CC(C)[C@H](C[NH2+]C(C)(C)C)Oc1cccc(F)c1 ZINC000052675489 519815882 /nfs/dbraw/zinc/81/58/82/519815882.db2.gz CQJYHZQMTDALSR-AWEZNQCLSA-N 1 0 253.361 3.617 10 0 CHAERO CCC1CCC(C[NH2+]C)(OCc2ccccc2)CC1 ZINC000050488432 519851964 /nfs/dbraw/zinc/85/19/64/519851964.db2.gz AVLRQLSEKDTPIY-UHFFFAOYSA-N 1 0 261.409 3.762 10 0 CHAERO CCCC1CCN([C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000050892969 519903457 /nfs/dbraw/zinc/90/34/57/519903457.db2.gz LITSRCTTWXGBMG-MRXNPFEDSA-N 1 0 280.843 3.852 10 0 CHAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(Cl)cc1C ZINC000054627737 519910824 /nfs/dbraw/zinc/91/08/24/519910824.db2.gz HEBXOIWKUZIFRA-GOOCMWNKSA-N 1 0 278.827 3.758 10 0 CHAERO CCC[NH2+]C[C@](C)(CC)Cc1ccc(OC)c(F)c1 ZINC000054660765 519939829 /nfs/dbraw/zinc/93/98/29/519939829.db2.gz IUJYNFPQQQZWKN-MRXNPFEDSA-N 1 0 267.388 3.793 10 0 CHAERO CCC[NH2+]C[C@]1(OCC(F)(F)F)CCC[C@@H](C)C1 ZINC000050504886 519940191 /nfs/dbraw/zinc/94/01/91/519940191.db2.gz HNBAWDABDBKEDC-NEPJUHHUSA-N 1 0 267.335 3.514 10 0 CHAERO CC[NH2+]C[C@@H](CCCOC)Cc1ccc(Cl)cc1 ZINC000052975239 519944711 /nfs/dbraw/zinc/94/47/11/519944711.db2.gz YEQDIXULCNBTKY-AWEZNQCLSA-N 1 0 269.816 3.535 10 0 CHAERO CC[NH2+]C[C@@H](OCc1cccs1)c1ccccc1 ZINC000052706551 519948770 /nfs/dbraw/zinc/94/87/70/519948770.db2.gz CJIIPXWLKMTSFI-OAHLLOKOSA-N 1 0 261.390 3.616 10 0 CHAERO CC[NH2+]C[C@@H](Oc1ccc(C)cc1)c1ccccc1 ZINC000052649731 519949426 /nfs/dbraw/zinc/94/94/26/519949426.db2.gz DWOMKLJMABIEIJ-QGZVFWFLSA-N 1 0 255.361 3.725 10 0 CHAERO CCC[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000052668350 519950567 /nfs/dbraw/zinc/95/05/67/519950567.db2.gz AALAGCXCQMLHQW-UHFFFAOYSA-N 1 0 255.361 3.765 10 0 CHAERO CC[NH2+]C[C@H]1CCN(c2c(Cl)ccc(C)c2Cl)C1 ZINC000053011949 519975638 /nfs/dbraw/zinc/97/56/38/519975638.db2.gz 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521278247 /nfs/dbraw/zinc/27/82/47/521278247.db2.gz VGISENAKJOILAK-KRWDZBQOSA-N 1 0 255.361 3.698 10 0 CHAERO CCOc1cccc(O[C@H](c2ccsc2)[C@@H](C)[NH3+])c1 ZINC000051845600 521403831 /nfs/dbraw/zinc/40/38/31/521403831.db2.gz WDNQTUWFQBAOGK-ABAIWWIYSA-N 1 0 277.389 3.614 10 0 CHAERO CCN(Cc1cccs1)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052546263 521409753 /nfs/dbraw/zinc/40/97/53/521409753.db2.gz OEWLFVBXCLFBTC-HNNXBMFYSA-N 1 0 268.470 3.593 10 0 CHAERO CCC(CC)CN(CC)c1ncc([C@H](C)[NH2+]C)s1 ZINC000054907623 521522330 /nfs/dbraw/zinc/52/23/30/521522330.db2.gz HYHHRLTUUVMOTG-NSHDSACASA-N 1 0 269.458 3.686 10 0 CHAERO CCCN([C@@H](C[NH2+]C(C)C)c1ccccc1)C1CC1 ZINC000052449313 521696751 /nfs/dbraw/zinc/69/67/51/521696751.db2.gz BAPWDEZAZHVXCS-KRWDZBQOSA-N 1 0 260.425 3.600 10 0 CHAERO CC[C@H](C)O[C@@H](C[NH2+]C(C)C)c1ccccc1F ZINC000050484788 521754791 /nfs/dbraw/zinc/75/47/91/521754791.db2.gz QTJLPBVVHOFMQS-WFASDCNBSA-N 1 0 253.361 3.680 10 0 CHAERO C[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1C(C)(C)C ZINC000054995301 522167790 /nfs/dbraw/zinc/16/77/90/522167790.db2.gz DYXAOECGWSJKGL-LLVKDONJSA-N 1 0 281.469 3.539 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2cccc3cccnc32)o1 ZINC000052924129 522329565 /nfs/dbraw/zinc/32/95/65/522329565.db2.gz CWDDCEPHKUNXFQ-NSHDSACASA-N 1 0 252.317 3.775 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2cc(C)ccc2OC)cc1 ZINC000055244058 522330135 /nfs/dbraw/zinc/33/01/35/522330135.db2.gz SNYHJVZKWGKILP-ZDUSSCGKSA-N 1 0 255.361 3.951 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(Cl)c1 ZINC000061698933 522335219 /nfs/dbraw/zinc/33/52/19/522335219.db2.gz KGXUZPSVXIHLTD-WCQYABFASA-N 1 0 283.799 3.568 10 0 CHAERO CC[C@H](N)[C@@H](c1sccc1C)[NH+]1CCC(C)(C)CC1 ZINC000061818481 522341368 /nfs/dbraw/zinc/34/13/68/522341368.db2.gz VSDBSRNBNWPCMY-KBPBESRZSA-N 1 0 280.481 3.957 10 0 CHAERO C[NH2+][C@@H](c1cc(C)oc1C)C1(c2ccccc2)CC1 ZINC000061617964 522364959 /nfs/dbraw/zinc/36/49/59/522364959.db2.gz PWZUVGVDTNLKTJ-INIZCTEOSA-N 1 0 255.361 3.889 10 0 CHAERO C[NH2+][C@@H](c1csc2ccccc12)C1CCOCC1 ZINC000061671719 522375873 /nfs/dbraw/zinc/37/58/73/522375873.db2.gz HXOZPVDCVWAWLA-OAHLLOKOSA-N 1 0 261.390 3.588 10 0 CHAERO CCc1nc(N2CCC[C@@H](C)C2)sc1C[NH2+]CC(C)C ZINC000054995606 522385850 /nfs/dbraw/zinc/38/58/50/522385850.db2.gz FBCYKUOSIGMHGE-CYBMUJFWSA-N 1 0 295.496 3.687 10 0 CHAERO C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1Cc1ccsc1 ZINC000054630768 522398811 /nfs/dbraw/zinc/39/88/11/522398811.db2.gz KAFSQDZBNQAKJE-RRFJBIMHSA-N 1 0 251.439 3.951 10 0 CHAERO C[NH2+][C@H](CC1CCOCC1)c1ccc(Cl)cc1F ZINC000062786301 522460159 /nfs/dbraw/zinc/46/01/59/522460159.db2.gz FQDPCDKEYVCESW-CQSZACIVSA-N 1 0 271.763 3.556 10 0 CHAERO CC[C@@H](C1CCCCC1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000052341989 522464661 /nfs/dbraw/zinc/46/46/61/522464661.db2.gz BSTSRFGGPZNCHB-KRWDZBQOSA-N 1 0 258.409 3.943 10 0 CHAERO C[NH2+][C@H](c1ccncc1)c1cccc(Cl)c1Cl ZINC000055223125 522486035 /nfs/dbraw/zinc/48/60/35/522486035.db2.gz GIUYKYQOZVAAHA-CYBMUJFWSA-N 1 0 267.159 3.697 10 0 CHAERO C[NH2+][C@H]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055231438 522491043 /nfs/dbraw/zinc/49/10/43/522491043.db2.gz WXZDLQXRZVJFKQ-STQMWFEESA-N 1 0 257.299 3.951 10 0 CHAERO COc1cc(Cl)c(C)cc1N1CCCCC1=[NH2+] ZINC000049583979 522509092 /nfs/dbraw/zinc/50/90/92/522509092.db2.gz FVMCLBRHEUIGBI-UHFFFAOYSA-N 1 0 252.745 3.625 10 0 CHAERO CC[C@@H](C[NH2+]C(C)C)N(C)Cc1cccc(Cl)c1 ZINC000052507959 522542866 /nfs/dbraw/zinc/54/28/66/522542866.db2.gz GCUBNDCJRQHFQM-HNNXBMFYSA-N 1 0 268.832 3.548 10 0 CHAERO CC[C@@H](C[NH2+]CC(C)C)N(Cc1ccsc1)C1CC1 ZINC000052541969 522547188 /nfs/dbraw/zinc/54/71/88/522547188.db2.gz RSYVAWQLGCEDAJ-HNNXBMFYSA-N 1 0 280.481 3.737 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OC1CCC1)c1ccc(Cl)cc1 ZINC000050519218 522652044 /nfs/dbraw/zinc/65/20/44/522652044.db2.gz HWNYTLJNVIMWNX-ZIAGYGMSSA-N 1 0 253.773 3.688 10 0 CHAERO CC[C@@](C)([NH3+])c1nc2c(s1)CCc1sccc1-2 ZINC000061326058 523646219 /nfs/dbraw/zinc/64/62/19/523646219.db2.gz JMTROIKXCUWFAC-CYBMUJFWSA-N 1 0 264.419 3.554 10 0 CHAERO CN(c1ccccc1F)c1ccc(Cl)cc1C[NH3+] ZINC000052857731 523656230 /nfs/dbraw/zinc/65/62/30/523656230.db2.gz RYAMUKYXCZWNOU-UHFFFAOYSA-N 1 0 264.731 3.706 10 0 CHAERO CCc1ccc([C@@](C)([NH3+])c2ccc(F)cc2F)cc1 ZINC000055238508 524041425 /nfs/dbraw/zinc/04/14/25/524041425.db2.gz TWRAVMIYZOPBKM-MRXNPFEDSA-N 1 0 261.315 3.749 10 0 CHAERO CCc1ccc([C@H]2C[NH2+]C3(CCC(C)CC3)CO2)s1 ZINC000053102401 524055741 /nfs/dbraw/zinc/05/57/41/524055741.db2.gz DJKWVIGTNOFNKU-CXOJTPOUSA-N 1 0 279.449 3.920 10 0 CHAERO CCc1ccc([C@](C)([NH3+])c2ccc(F)c(C)c2)cc1 ZINC000055198565 524057405 /nfs/dbraw/zinc/05/74/05/524057405.db2.gz IIMUEZFDTPBBFQ-KRWDZBQOSA-N 1 0 257.352 3.919 10 0 CHAERO C[C@@H]1CCC[N@H+](Cc2c(N)cccc2Br)[C@@H]1C ZINC000050563132 524230208 /nfs/dbraw/zinc/23/02/08/524230208.db2.gz QTYYSCJITSBQKQ-GHMZBOCLSA-N 1 0 297.240 3.652 10 0 CHAERO Cc1cc(C)c(C[C@@H]([NH3+])c2ccccc2F)c(C)c1 ZINC000062774566 524274242 /nfs/dbraw/zinc/27/42/42/524274242.db2.gz CAIHXJYCQVWNIC-QGZVFWFLSA-N 1 0 257.352 3.993 10 0 CHAERO C[C@H]1CC[C@H]([NH2+]CC2CCOCC2)c2ccccc21 ZINC000131238140 524421753 /nfs/dbraw/zinc/42/17/53/524421753.db2.gz KBBBJJPTXIWOSF-GUYCJALGSA-N 1 0 259.393 3.641 10 0 CHAERO Cc1cccc(CSc2ccc(C(N)=[NH2+])cc2)c1 ZINC000054965757 524462336 /nfs/dbraw/zinc/46/23/36/524462336.db2.gz QYIKAJZHIUKBOK-UHFFFAOYSA-N 1 0 256.374 3.571 10 0 CHAERO C[C@H](C[NH2+]C1CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000052966528 524479866 /nfs/dbraw/zinc/47/98/66/524479866.db2.gz KMOQXELPOAJUNX-JTQLQIEISA-N 1 0 273.298 3.516 10 0 CHAERO C[C@@H](CC[NH+](C)C)Nc1nc2cccc(Cl)c2s1 ZINC000049559136 524481537 /nfs/dbraw/zinc/48/15/37/524481537.db2.gz HQJUYBROHHENHV-VIFPVBQESA-N 1 0 283.828 3.702 10 0 CHAERO C[C@@H](C[NH+]1CCCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000054186875 524595369 /nfs/dbraw/zinc/59/53/69/524595369.db2.gz ADYRAFKYODSLMF-NSHDSACASA-N 1 0 272.314 3.602 10 0 CHAERO Cc1ccc(C[C@@H]([NH3+])Cc2ccc(C)c(C)c2)cc1 ZINC000051752834 524665862 /nfs/dbraw/zinc/66/58/62/524665862.db2.gz FJDQWXQBXDQMHK-GOSISDBHSA-N 1 0 253.389 3.724 10 0 CHAERO Cc1cc(C[NH2+]C(C)C)nc(C2CCC(C)CC2)n1 ZINC000054831765 524750202 /nfs/dbraw/zinc/75/02/02/524750202.db2.gz ZLHJUJMFQZIIJD-UHFFFAOYSA-N 1 0 261.413 3.577 10 0 CHAERO C[C@H](Cc1ccsc1)N1Cc2ccccc2C1=[NH2+] ZINC000049184046 524759145 /nfs/dbraw/zinc/75/91/45/524759145.db2.gz AOULOHJPWVMUKF-LLVKDONJSA-N 1 0 256.374 3.520 10 0 CHAERO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000049154428 524764150 /nfs/dbraw/zinc/76/41/50/524764150.db2.gz GRMJEEWBMYGNOM-NEPJUHHUSA-N 1 0 261.390 3.736 10 0 CHAERO Cc1cc(COCCC(C)C)oc1C[NH2+]C(C)C ZINC000052624858 524804726 /nfs/dbraw/zinc/80/47/26/524804726.db2.gz QHNSOKOJJGGLJE-UHFFFAOYSA-N 1 0 253.386 3.649 10 0 CHAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCC(C)(C)CC1 ZINC000061818311 524837704 /nfs/dbraw/zinc/83/77/04/524837704.db2.gz YOWYOVALUWOSFZ-WFASDCNBSA-N 1 0 280.843 3.850 10 0 CHAERO Cc1ccc(F)cc1[C@@H]([NH3+])c1cccc(Br)c1 ZINC000055205856 524874962 /nfs/dbraw/zinc/87/49/62/524874962.db2.gz BOLVBMCNKMVBAC-AWEZNQCLSA-N 1 0 294.167 3.945 10 0 CHAERO Cc1cc(F)ccc1[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC000054684010 525004761 /nfs/dbraw/zinc/00/47/61/525004761.db2.gz IVECJNWWTWCPOO-IRXDYDNUSA-N 1 0 255.336 3.952 10 0 CHAERO Cc1ccccc1N(C)c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054897521 525216705 /nfs/dbraw/zinc/21/67/05/525216705.db2.gz QMXOKHNQZNWCPX-NSHDSACASA-N 1 0 273.405 3.556 10 0 CHAERO Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC000156637480 525240434 /nfs/dbraw/zinc/24/04/34/525240434.db2.gz HHDJURCWYUAPHW-UHFFFAOYSA-N 1 0 286.762 3.504 10 0 CHAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCCC[C@@H]2O)c(C)s1 ZINC000049506718 525471703 /nfs/dbraw/zinc/47/17/03/525471703.db2.gz QNEHHZBGDNKGHX-DFBGVHRSSA-N 1 0 267.438 3.709 10 0 CHAERO Cc1cc([C@@H]([NH3+])c2nc3c(s2)CCCC3)ccc1F ZINC000050559372 525482003 /nfs/dbraw/zinc/48/20/03/525482003.db2.gz VHWSMIDVQBYTPZ-CQSZACIVSA-N 1 0 276.380 3.518 10 0 CHAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncccc1C ZINC000071338912 525517625 /nfs/dbraw/zinc/51/76/25/525517625.db2.gz SABJSFOJOJSWBI-KRWDZBQOSA-N 1 0 282.387 3.566 10 0 CHAERO Cc1cc2c(n1[C@H](C)c1ccsc1)CCC[C@@H]2[NH3+] ZINC000061367118 525622546 /nfs/dbraw/zinc/62/25/46/525622546.db2.gz CIQAUOOULMSJQS-RISCZKNCSA-N 1 0 260.406 3.803 10 0 CHAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(O)c1 ZINC000037074376 525626272 /nfs/dbraw/zinc/62/62/72/525626272.db2.gz KHPNZMFDOHISIG-LRDDRELGSA-N 1 0 269.344 3.567 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc(Cl)cc1 ZINC000049525519 525674884 /nfs/dbraw/zinc/67/48/84/525674884.db2.gz YZUBHRZIFKBTAE-UGFHNGPFSA-N 1 0 267.800 3.684 10 0 CHAERO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccncc2)o1 ZINC000130957317 525801832 /nfs/dbraw/zinc/80/18/32/525801832.db2.gz HGKCCADEZMEXSX-HNNXBMFYSA-N 1 0 256.349 3.710 10 0 CHAERO C[C@H](Oc1cccc(Cl)c1C(N)=[NH2+])c1ccccc1 ZINC000052906832 525948340 /nfs/dbraw/zinc/94/83/40/525948340.db2.gz GIXKQHSYKGGZNO-JTQLQIEISA-N 1 0 274.751 3.764 10 0 CHAERO Cc1cc(-n2cc(Cl)cn2)ccc1C[NH2+]CC(C)C ZINC000062738691 526073187 /nfs/dbraw/zinc/07/31/87/526073187.db2.gz PBYQAACVHWUFSB-UHFFFAOYSA-N 1 0 277.799 3.580 10 0 CHAERO Fc1ccc(SCCC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000052782863 526358534 /nfs/dbraw/zinc/35/85/34/526358534.db2.gz XLVDFZOOYKQXPN-LLVKDONJSA-N 1 0 257.349 3.589 10 0 CHAERO Cc1csc(C[C@H]([NH3+])Cc2ccc(C(C)C)cc2)n1 ZINC000055267828 526366618 /nfs/dbraw/zinc/36/66/18/526366618.db2.gz XRPYFIIGEMSDQJ-OAHLLOKOSA-N 1 0 274.433 3.687 10 0 CHAERO Cc1csc(C[C@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000055267640 526367314 /nfs/dbraw/zinc/36/73/14/526367314.db2.gz YUSNADFIEWXPPR-NSHDSACASA-N 1 0 286.322 3.713 10 0 CHAERO Cc1csc(Sc2ccc(Cl)cc2C(N)=[NH2+])n1 ZINC000052860428 526399774 /nfs/dbraw/zinc/39/97/74/526399774.db2.gz WFCJOQYLMRIDKD-UHFFFAOYSA-N 1 0 283.809 3.540 10 0 CHAERO Cc1nc(-c2cccs2)sc1C[NH2+]C(C)C ZINC000052330692 526617257 /nfs/dbraw/zinc/61/72/57/526617257.db2.gz WJXOAHNIXGDZAP-UHFFFAOYSA-N 1 0 252.408 3.678 10 0 CHAERO Cc1nc(C[NH2+][C@@H](C)c2ccccc2C)sc1C ZINC000094965690 526891552 /nfs/dbraw/zinc/89/15/52/526891552.db2.gz DLCDPRVOQVAAMM-LBPRGKRZSA-N 1 0 260.406 3.919 10 0 CHAERO Cc1nc(Cc2ccc(Cl)cc2Cl)ncc1[C@H](C)[NH3+] ZINC000054962491 526927905 /nfs/dbraw/zinc/92/79/05/526927905.db2.gz STMZYHCJFPKHFI-QMMMGPOBSA-N 1 0 296.201 3.702 10 0 CHAERO Clc1ccc(N2CC[C@H](C[NH2+]C3CC3)C2)cc1Cl ZINC000053010468 526956554 /nfs/dbraw/zinc/95/65/54/526956554.db2.gz OYCZXXHNVJXTRU-SNVBAGLBSA-N 1 0 285.218 3.572 10 0 CHAERO Clc1cccc(Cl)c1Cc1nc2c(s1)C[NH2+]CC2 ZINC000053335736 526979698 /nfs/dbraw/zinc/97/96/98/526979698.db2.gz ORVSSKWEVBVANF-UHFFFAOYSA-N 1 0 299.226 3.686 10 0 CHAERO [NH3+]CC1(Cc2c(F)cccc2Cl)CCCCC1 ZINC000054635521 527162925 /nfs/dbraw/zinc/16/29/25/527162925.db2.gz NOXHJVCCZWKYDY-UHFFFAOYSA-N 1 0 255.764 3.931 10 0 CHAERO [NH3+]C[C@H](Oc1cccc(F)c1F)c1ccccc1Cl ZINC000062612520 527228802 /nfs/dbraw/zinc/22/88/02/527228802.db2.gz NWZIZBPSXPIMSB-ZDUSSCGKSA-N 1 0 283.705 3.697 10 0 CHAERO [NH3+][C@H](c1c(F)c(F)c(F)c(F)c1F)C1=CCCCC1 ZINC000050325519 527390648 /nfs/dbraw/zinc/39/06/48/527390648.db2.gz KXVUNUSDDYWQGE-ZDUSSCGKSA-N 1 0 277.236 3.882 10 0 CHAERO Cc1[nH+]ccc(N2CCC[C@@H](C)[C@@H]2C)c1Br ZINC000669379417 566950687 /nfs/dbraw/zinc/95/06/87/566950687.db2.gz ABCQSKDDUITXDP-KOLCDFICSA-N 1 0 283.213 3.777 10 0 CHAERO Cc1[nH+]ccc(N2C[C@H](C)C[C@H](C)C2)c1Br ZINC000669379462 566950952 /nfs/dbraw/zinc/95/09/52/566950952.db2.gz CMFGTYJTKYGLFY-AOOOYVTPSA-N 1 0 283.213 3.635 10 0 CHAERO C[C@H]1CCC[N@H+](Cc2cc(N)ccc2Br)[C@H]1C ZINC000252681946 566977041 /nfs/dbraw/zinc/97/70/41/566977041.db2.gz BHDGEMDZBJDLGD-QWRGUYRKSA-N 1 0 297.240 3.652 10 0 CHAERO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](C)O)s1 ZINC000036101562 566994102 /nfs/dbraw/zinc/99/41/02/566994102.db2.gz NOKHHCCRHIPJAM-GFCCVEGCSA-N 1 0 293.407 3.579 10 0 CHAERO CCC[C@@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675081165 567027015 /nfs/dbraw/zinc/02/70/15/567027015.db2.gz KLOKOOHVFOETIP-SNVBAGLBSA-N 1 0 268.154 3.995 10 0 CHAERO CC[NH+](CC)[C@]1(CC)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961833 567210580 /nfs/dbraw/zinc/21/05/80/567210580.db2.gz WSOXVVPHHZSDBQ-MRXNPFEDSA-N 1 0 284.444 3.508 10 0 CHAERO OCCCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013727174 567867396 /nfs/dbraw/zinc/86/73/96/567867396.db2.gz GTIRBBWDOFZQRS-UHFFFAOYSA-N 1 0 293.794 3.852 10 0 CHAERO C[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000057353117 567894828 /nfs/dbraw/zinc/89/48/28/567894828.db2.gz LVKIIFKONVIOCW-UHFFFAOYSA-N 1 0 268.335 3.548 10 0 CHAERO Cn1nc(C[NH2+]C2CCCCCCC2)c(-c2ccccc2)n1 ZINC000057353214 567895015 /nfs/dbraw/zinc/89/50/15/567895015.db2.gz VDGFEGQWJBONSC-UHFFFAOYSA-N 1 0 298.434 3.685 10 0 CHAERO CCN1CCC[C@H]1C[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000057353479 567895065 /nfs/dbraw/zinc/89/50/65/567895065.db2.gz UACOWAKHXXFRTL-KRWDZBQOSA-N 1 0 299.462 3.796 10 0 CHAERO CC(C)n1nc(C[NH2+]C2CCCCC2)c(-c2ccccc2)n1 ZINC000057353266 567895140 /nfs/dbraw/zinc/89/51/40/567895140.db2.gz FXIZZUMGWWXJEX-UHFFFAOYSA-N 1 0 298.434 3.948 10 0 CHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@H]1c1ccccc1Br ZINC000725254391 567913322 /nfs/dbraw/zinc/91/33/22/567913322.db2.gz NCGWVXSLJAMAQC-BHYNMZESSA-N 1 0 280.209 3.693 10 0 CHAERO C[C@H]1CCC[C@H](c2cccc(C(=O)OC(C)(C)C)c2)[NH2+]1 ZINC000725270671 567924573 /nfs/dbraw/zinc/92/45/73/567924573.db2.gz PMMNFMWHAWMMRG-SWLSCSKDSA-N 1 0 275.392 3.845 10 0 CHAERO C[NH2+]Cc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000019777458 567944790 /nfs/dbraw/zinc/94/47/90/567944790.db2.gz VSNYWUPNKSCFBJ-UHFFFAOYSA-N 1 0 275.779 3.947 10 0 CHAERO CCCc1ncc(C[N@H+](Cc2ccncc2)[C@@H](C)CC)cn1 ZINC000055384906 570242678 /nfs/dbraw/zinc/24/26/78/570242678.db2.gz SAUNCIQVSWMMRD-HNNXBMFYSA-N 1 0 298.434 3.625 10 0 CHAERO Clc1ccc([C@H]2[NH2+]CCc3sccc32)s1 ZINC000038393024 570248955 /nfs/dbraw/zinc/24/89/55/570248955.db2.gz MWIDTLILYFBNHC-NSHDSACASA-N 1 0 255.795 3.698 10 0 CHAERO CC1CC[NH+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000685961595 570406843 /nfs/dbraw/zinc/40/68/43/570406843.db2.gz UEJRHTHRORZWNN-KRWDZBQOSA-N 1 0 296.455 3.508 10 0 CHAERO CC(C)[C@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000020592759 570408374 /nfs/dbraw/zinc/40/83/74/570408374.db2.gz WBYCRIBURDQFHK-LBPRGKRZSA-N 1 0 268.154 3.851 10 0 CHAERO CSCc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000586795522 1127141914 /nfs/dbraw/zinc/14/19/14/1127141914.db2.gz MCXXPEHBGQTBHN-UHFFFAOYSA-N 1 0 283.440 3.807 10 0 CHAERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc3ccccc3n2)CC1 ZINC000301794045 1123932895 /nfs/dbraw/zinc/93/28/95/1123932895.db2.gz SEPZNLXOJXAKMX-HNNXBMFYSA-N 1 0 295.430 3.688 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1CC ZINC000082422886 177997050 /nfs/dbraw/zinc/99/70/50/177997050.db2.gz PGFYTMWBZBWMQQ-UHFFFAOYSA-N 1 0 260.406 3.790 10 0 CHAERO CCCc1nc(CCc2ccccc2)sc1C[NH2+]C ZINC000082429234 178006363 /nfs/dbraw/zinc/00/63/63/178006363.db2.gz WJOWNQKLHKQASG-UHFFFAOYSA-N 1 0 274.433 3.600 10 0 CHAERO CC(C)[NH2+]Cc1sc(-c2ccccn2)nc1C(C)C ZINC000082429777 178007359 /nfs/dbraw/zinc/00/73/59/178007359.db2.gz VFCFWXGTRVOGPM-UHFFFAOYSA-N 1 0 275.421 3.827 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccccn2)nc1C(C)C ZINC000082429778 178007460 /nfs/dbraw/zinc/00/74/60/178007460.db2.gz RIMVYFGIYUSVJI-UHFFFAOYSA-N 1 0 275.421 3.828 10 0 CHAERO CC(C)[NH2+]Cc1sc(C(C)(C)C)nc1C1CC1 ZINC000082436337 178013681 /nfs/dbraw/zinc/01/36/81/178013681.db2.gz PDLOKUCXIIIQOW-UHFFFAOYSA-N 1 0 252.427 3.816 10 0 CHAERO Cc1cccc(-c2nc(C(C)(C)C)c(C[NH3+])s2)c1 ZINC000082439134 178016780 /nfs/dbraw/zinc/01/67/80/178016780.db2.gz JQJHXQYJMKNNJT-UHFFFAOYSA-N 1 0 260.406 3.875 10 0 CHAERO CCCc1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000082438944 178017241 /nfs/dbraw/zinc/01/72/41/178017241.db2.gz KUMWZLORLPKGEU-UHFFFAOYSA-N 1 0 254.443 3.891 10 0 CHAERO CCOc1ccccc1-c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000082440432 178018524 /nfs/dbraw/zinc/01/85/24/178018524.db2.gz RJCRREIISUBDTA-UHFFFAOYSA-N 1 0 290.432 3.965 10 0 CHAERO C[NH2+]Cc1sc(-c2cccs2)nc1C(C)(C)C ZINC000082440548 178018750 /nfs/dbraw/zinc/01/87/50/178018750.db2.gz CCIZNIBXBBIDMW-UHFFFAOYSA-N 1 0 266.435 3.889 10 0 CHAERO CC[C@@H](CSC(F)(F)F)[NH2+]Cc1ccc(F)cc1 ZINC000095918325 185030832 /nfs/dbraw/zinc/03/08/32/185030832.db2.gz UGFTWDPYVWVCAJ-NSHDSACASA-N 1 0 281.318 3.947 10 0 CHAERO Cc1ccc(Br)cc1[C@@H]([NH3+])C1CCCC1 ZINC000083256156 178371808 /nfs/dbraw/zinc/37/18/08/178371808.db2.gz DKXJCDVIYZDCMQ-ZDUSSCGKSA-N 1 0 268.198 3.948 10 0 CHAERO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000096747943 185111368 /nfs/dbraw/zinc/11/13/68/185111368.db2.gz GRBOJZGPSPHANX-HRCADAONSA-N 1 0 256.478 3.767 10 0 CHAERO Cc1ccc([C@@H]([NH3+])Cc2ccccc2Br)o1 ZINC000096978599 185145572 /nfs/dbraw/zinc/14/55/72/185145572.db2.gz ADWXSNKGRONNKY-LBPRGKRZSA-N 1 0 280.165 3.593 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000222244067 260192618 /nfs/dbraw/zinc/19/26/18/260192618.db2.gz AIWIULVTGSARGM-LSDHHAIUSA-N 1 0 267.457 3.998 10 0 CHAERO CCc1ccc2[nH]c(C)c(CCC[NH2+]C(C)C)c2c1 ZINC000098160049 185694489 /nfs/dbraw/zinc/69/44/89/185694489.db2.gz VUQZJWKBDIGUKL-UHFFFAOYSA-N 1 0 258.409 3.969 10 0 CHAERO CC(C)[C@@H](C)[NH2+]CCOc1ccccc1C(C)(C)C ZINC000104018505 185883900 /nfs/dbraw/zinc/88/39/00/185883900.db2.gz SLBYKIUJKPTJQX-CQSZACIVSA-N 1 0 263.425 3.997 10 0 CHAERO C[NH2+][C@@H](CCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000104069033 185892271 /nfs/dbraw/zinc/89/22/71/185892271.db2.gz PBEZVOUUORCWKR-ZDUSSCGKSA-N 1 0 257.299 3.636 10 0 CHAERO CCCCCC[C@@H](C)OC(=O)[C@]1(CCC)CC[NH2+]C1 ZINC000104184705 185917925 /nfs/dbraw/zinc/91/79/25/185917925.db2.gz BGDNOHQUYRGREH-GDBMZVCRSA-N 1 0 269.429 3.668 10 0 CHAERO CC[C@@H]([NH3+])Cc1ccc(N(C)Cc2ccsc2)cc1 ZINC000104269069 185949765 /nfs/dbraw/zinc/94/97/65/185949765.db2.gz NKUIIYRELRLYLE-OAHLLOKOSA-N 1 0 274.433 3.664 10 0 CHAERO [NH3+][C@H]1c2ccccc2CC[C@H]1CCc1cccs1 ZINC000104277467 185952221 /nfs/dbraw/zinc/95/22/21/185952221.db2.gz FYBVNUUTFVQWQR-XJKSGUPXSA-N 1 0 257.402 3.943 10 0 CHAERO CC[C@@H]([NH3+])Cc1ccc(SC(C)(C)C)c(F)c1 ZINC000104284190 185955090 /nfs/dbraw/zinc/95/50/90/185955090.db2.gz ZEEINLSVQKSMCQ-LLVKDONJSA-N 1 0 255.402 3.996 10 0 CHAERO CC[NH2+][C@@H](CCOC)C[C@@H]1CCCc2ccccc21 ZINC000104309385 185963316 /nfs/dbraw/zinc/96/33/16/185963316.db2.gz GIFHNKPPDVXREF-HOTGVXAUSA-N 1 0 261.409 3.511 10 0 CHAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH3+])Cc1nc(C)cs1 ZINC000104390487 185989323 /nfs/dbraw/zinc/98/93/23/185989323.db2.gz ZVIZQQXQONJESW-JHJVBQTASA-N 1 0 252.427 3.538 10 0 CHAERO COc1ccccc1C1=CC[N@H+](Cc2ccccc2)C1 ZINC000090555164 180003161 /nfs/dbraw/zinc/00/31/61/180003161.db2.gz JMXJJANFTBPHMZ-UHFFFAOYSA-N 1 0 265.356 3.594 10 0 CHAERO CC1(C[NH2+]Cc2ccc(Cl)c(N)c2)CCCC1 ZINC000104436485 186001504 /nfs/dbraw/zinc/00/15/04/186001504.db2.gz VNVRZZSPJKXUTI-UHFFFAOYSA-N 1 0 252.789 3.592 10 0 CHAERO COCCCSc1cccc(Cl)c1C[NH2+]C(C)C ZINC000104435843 186001642 /nfs/dbraw/zinc/00/16/42/186001642.db2.gz KZKUDNLNTFNUIV-UHFFFAOYSA-N 1 0 287.856 3.967 10 0 CHAERO NNc1[nH+]ccc(-c2ccc(Cl)cc2)c1-c1ccncc1 ZINC000090613239 180012778 /nfs/dbraw/zinc/01/27/78/180012778.db2.gz ZCGRDBIZPKXYNG-UHFFFAOYSA-N 1 0 296.761 3.750 10 0 CHAERO COc1cc([C@@H](C)[NH2+]CC2(C)CCCC2)ccc1O ZINC000104438741 186002549 /nfs/dbraw/zinc/00/25/49/186002549.db2.gz UMGCXHXAYCMUCS-GFCCVEGCSA-N 1 0 263.381 3.632 10 0 CHAERO CC(C)CN(Cc1cccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000090769405 180037568 /nfs/dbraw/zinc/03/75/68/180037568.db2.gz MMJCYIFQHKNMHX-SFHVURJKSA-N 1 0 282.431 3.660 10 0 CHAERO C#[N+]c1ccc(Br)cc1OC(F)(F)F ZINC000104900030 186030493 /nfs/dbraw/zinc/03/04/93/186030493.db2.gz VRQYHRJARKGVDN-UHFFFAOYSA-N 1 0 266.016 3.898 10 0 CHAERO CCCOc1ccc([C@@H](C[NH3+])c2ccccc2)cc1 ZINC000107296076 186167812 /nfs/dbraw/zinc/16/78/12/186167812.db2.gz SLJDJOIEMHEPLD-KRWDZBQOSA-N 1 0 255.361 3.566 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccccc1C(C)(C)C ZINC000083542027 535264632 /nfs/dbraw/zinc/26/46/32/535264632.db2.gz YFZCSGGVCUPODT-PBHICJAKSA-N 1 0 274.452 3.807 10 0 CHAERO COCCC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000178128303 261376440 /nfs/dbraw/zinc/37/64/40/261376440.db2.gz LQPSMNVABYLEIR-RYUDHWBXSA-N 1 0 255.789 3.806 10 0 CHAERO Clc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000000022174 169507189 /nfs/dbraw/zinc/50/71/89/169507189.db2.gz WNTMTTVEDFGEMS-MNOVXSKESA-N 1 0 254.160 3.901 10 0 in-vivo CHAERO COc1ccc(C[C@@H]([NH3+])c2cc(C)sc2C)cc1 ZINC000020431544 184535657 /nfs/dbraw/zinc/53/56/57/184535657.db2.gz AIRARMXLPNRPKR-OAHLLOKOSA-N 1 0 261.390 3.616 10 0 CHAERO C[NH+](C)CC/C=C1\c2ccccc2COc2cc(O)ccc21 ZINC000065742876 184569231 /nfs/dbraw/zinc/56/92/31/184569231.db2.gz OHKQNFCWNWKAIY-CAOOACKPSA-N 1 0 295.382 3.668 10 0 in-vitro CHAERO C[C@@H]1C[NH2+]C(C)(C)CN1c1cc(Cl)ccc1Cl ZINC000041408954 134881645 /nfs/dbraw/zinc/88/16/45/134881645.db2.gz DKAVQKVLSBLRMY-SECBINFHSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(C(C)C)cc1 ZINC000083441613 135021480 /nfs/dbraw/zinc/02/14/80/135021480.db2.gz CVOWKRSLFOHUHV-JKSUJKDBSA-N 1 0 260.425 3.777 10 0 CHAERO CC(C)c1ccccc1N1C[C@H](C(C)C)[NH2+]C[C@@H]1C ZINC000083441492 135021536 /nfs/dbraw/zinc/02/15/36/135021536.db2.gz MMWCJOJHSPUQFC-GOEBONIOSA-N 1 0 260.425 3.633 10 0 CHAERO CC(C)c1cccc(N2C[C@@H](C)[NH2+]C[C@H]2C(C)C)c1 ZINC000083441767 135021953 /nfs/dbraw/zinc/02/19/53/135021953.db2.gz XMHUGALWPUVYOZ-PBHICJAKSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cc(Cl)cc(Cl)c1 ZINC000083536470 135027577 /nfs/dbraw/zinc/02/75/77/135027577.db2.gz BUGLIRGLVDAYFO-BXKDBHETSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H]1CN(c2ccc(C(C)(C)C)cc2)[C@H](CC)C[NH2+]1 ZINC000083541886 135028318 /nfs/dbraw/zinc/02/83/18/135028318.db2.gz LWNOXRUUVPOPNH-HZPDHXFCSA-N 1 0 274.452 3.951 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(SC)c1 ZINC000083587496 135030739 /nfs/dbraw/zinc/03/07/39/135030739.db2.gz NZCSLJJWWCWHAZ-XJKSGUPXSA-N 1 0 278.465 3.621 10 0 CHAERO CC(C)OCCC[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000171501683 335067553 /nfs/dbraw/zinc/06/75/53/335067553.db2.gz DODBAZJWLVJBPX-KRWDZBQOSA-N 1 0 291.435 3.654 10 0 CHAERO C[NH2+]CCc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000003708613 169908542 /nfs/dbraw/zinc/90/85/42/169908542.db2.gz MDABYRVYYNVGDD-UHFFFAOYSA-N 1 0 286.322 3.591 10 0 CHAERO Cc1ccc([C@@H](c2ccccc2)[n+]2ccccc2)cc1 ZINC000005416369 170096346 /nfs/dbraw/zinc/09/63/46/170096346.db2.gz ABTKSEOWTLXUFY-LJQANCHMSA-N 1 0 260.360 3.920 10 0 CHAERO CCCCN(C)c1c2c([nH+]c3ccccc31)CCC2 ZINC000005596296 170117710 /nfs/dbraw/zinc/11/77/10/170117710.db2.gz UFHGBQYDAMYISO-UHFFFAOYSA-N 1 0 254.377 3.960 10 0 CHAERO CCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000006024413 170169236 /nfs/dbraw/zinc/16/92/36/170169236.db2.gz PCZDSKZPJHGLGO-UHFFFAOYSA-N 1 0 284.190 3.883 10 0 CHAERO Cc1ccc(NC(=O)C[NH2+]C2CCCCCCC2)cc1 ZINC000008131059 170320104 /nfs/dbraw/zinc/32/01/04/170320104.db2.gz OTIGTMYIHYIATD-UHFFFAOYSA-N 1 0 274.408 3.636 10 0 CHAERO O=C(C[NH2+]C1CCCCCCC1)Nc1cccc(Cl)c1 ZINC000008131104 170320150 /nfs/dbraw/zinc/32/01/50/170320150.db2.gz HHZHAOSYTFTFKU-UHFFFAOYSA-N 1 0 294.826 3.981 10 0 CHAERO CCc1c(C)sc2c1CC[NH2+][C@@H]2c1ccccc1 ZINC000009115973 170364377 /nfs/dbraw/zinc/36/43/77/170364377.db2.gz LBHBJXVJHKFANC-OAHLLOKOSA-N 1 0 257.402 3.854 10 0 CHAERO CCc1ccc(C[C@@H]([NH3+])Cc2cccc(C)c2)cc1 ZINC000011600276 170425464 /nfs/dbraw/zinc/42/54/64/170425464.db2.gz DFYZCIRWNYNTPD-GOSISDBHSA-N 1 0 253.389 3.670 10 0 CHAERO CC(C)(C)c1ccc(C(=O)C2([NH3+])CCCCC2)cc1 ZINC000011630620 170429207 /nfs/dbraw/zinc/42/92/07/170429207.db2.gz RXKLGGDJZOPSAZ-UHFFFAOYSA-N 1 0 259.393 3.828 10 0 CHAERO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OC ZINC000013725237 170582205 /nfs/dbraw/zinc/58/22/05/170582205.db2.gz CTADKALZECLVSE-HNNXBMFYSA-N 1 0 299.414 3.815 10 0 CHAERO C[C@@H](OCc1ccc(C[NH3+])cc1F)c1ccccc1 ZINC000019270823 170766656 /nfs/dbraw/zinc/76/66/56/170766656.db2.gz MVIRGABMEBQGML-GFCCVEGCSA-N 1 0 259.324 3.562 10 0 CHAERO [NH3+]C[C@H](Oc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000019670850 170835346 /nfs/dbraw/zinc/83/53/46/170835346.db2.gz ABRIIYBMHUHOOW-SFHVURJKSA-N 1 0 267.372 3.644 10 0 CHAERO C[NH2+]Cc1cccc(OCCOc2ccc(Cl)cc2)c1 ZINC000019777471 170861360 /nfs/dbraw/zinc/86/13/60/170861360.db2.gz VQHSHGXSXACOQG-UHFFFAOYSA-N 1 0 291.778 3.517 10 0 CHAERO NC(=[NH2+])c1ccc(COc2cccc3ccccc32)cc1 ZINC000019808686 170877979 /nfs/dbraw/zinc/87/79/79/170877979.db2.gz XYGBMDWRXOOAJM-UHFFFAOYSA-N 1 0 276.339 3.703 10 0 CHAERO CC[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc(O)cc1 ZINC000019904112 170915906 /nfs/dbraw/zinc/91/59/06/170915906.db2.gz CEYVBAWQEYVRKQ-QGZVFWFLSA-N 1 0 273.351 3.815 10 0 CHAERO CCOCCC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019962981 170944638 /nfs/dbraw/zinc/94/46/38/170944638.db2.gz PGKZDENZQBWRQQ-CWJHNBGESA-N 1 0 265.441 3.608 10 0 CHAERO N[C@H](C[NH+]1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000019982603 170960030 /nfs/dbraw/zinc/96/00/30/170960030.db2.gz HKWFHZIRTDLDPY-LJQANCHMSA-N 1 0 280.415 3.839 10 0 CHAERO C[C@H]([NH3+])c1ccccc1Oc1ccc2c(c1)CCC2 ZINC000019986783 170961288 /nfs/dbraw/zinc/96/12/88/170961288.db2.gz MEPWGOHUGLSXFM-LBPRGKRZSA-N 1 0 253.345 3.987 10 0 CHAERO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccccc1F ZINC000020129352 171016840 /nfs/dbraw/zinc/01/68/40/171016840.db2.gz CAMYMHRMZJKSBW-KDOFPFPSSA-N 1 0 286.394 3.779 10 0 CHAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129361 171016883 /nfs/dbraw/zinc/01/68/83/171016883.db2.gz PLJNDDORYZAITQ-KBXCAEBGSA-N 1 0 286.394 3.779 10 0 CHAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129350 171017042 /nfs/dbraw/zinc/01/70/42/171017042.db2.gz CTMBNTJVHVHCCU-UKRRQHHQSA-N 1 0 274.433 3.702 10 0 CHAERO CCOc1ccc([C@@H](C)[NH2+]CCC(C)C)cc1F ZINC000020177186 171042948 /nfs/dbraw/zinc/04/29/48/171042948.db2.gz QANSIGJTELQFSQ-GFCCVEGCSA-N 1 0 253.361 3.921 10 0 CHAERO [NH3+]Cc1sc(-c2cccs2)nc1-c1ccccc1 ZINC000020184383 171047381 /nfs/dbraw/zinc/04/73/81/171047381.db2.gz WONWEPBEWADUTN-UHFFFAOYSA-N 1 0 272.398 3.997 10 0 CHAERO C=COCCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000020197092 171061194 /nfs/dbraw/zinc/06/11/94/171061194.db2.gz QFZAIOIEMMKLMC-UHFFFAOYSA-N 1 0 259.393 3.853 10 0 CHAERO C=COCCC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000020197308 171061235 /nfs/dbraw/zinc/06/12/35/171061235.db2.gz HZERQUGOYRRQHL-CQSZACIVSA-N 1 0 253.773 3.931 10 0 CHAERO Cc1c([C@@H](C)[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000020216608 171078671 /nfs/dbraw/zinc/07/86/71/171078671.db2.gz BKPCBGKFAPSIGG-SSDOTTSWSA-N 1 0 270.163 3.507 10 0 CHAERO CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])c1cccs1 ZINC000020225325 171087117 /nfs/dbraw/zinc/08/71/17/171087117.db2.gz UFCANQQAKDGMOA-CYBMUJFWSA-N 1 0 280.824 3.533 10 0 CHAERO Cc1cccc([C@H](CN)[N@H+](C)CC2CCCCC2)c1 ZINC000020225522 171088846 /nfs/dbraw/zinc/08/88/46/171088846.db2.gz DSKNBADYJJCQMR-KRWDZBQOSA-N 1 0 260.425 3.507 10 0 CHAERO CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])c1ccccc1F ZINC000020225611 171088883 /nfs/dbraw/zinc/08/88/83/171088883.db2.gz AFRXNIJLMGSRPV-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO CN(Cc1ccc(F)cc1)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225959 171089559 /nfs/dbraw/zinc/08/95/59/171089559.db2.gz FAFXISLCBHJIOT-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO CCOc1ccccc1[C@@H](C[NH3+])N(C)CC1CCCCC1 ZINC000020226166 171089571 /nfs/dbraw/zinc/08/95/71/171089571.db2.gz MJJYSALSHDCHRS-QGZVFWFLSA-N 1 0 290.451 3.597 10 0 CHAERO C[N@H+](CC(C)(C)C)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226329 171090984 /nfs/dbraw/zinc/09/09/84/171090984.db2.gz YLJDDENGBFAFFB-MRXNPFEDSA-N 1 0 276.468 3.962 10 0 CHAERO CC(C)CN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020226698 171091392 /nfs/dbraw/zinc/09/13/92/171091392.db2.gz OGJNVRADIRBRLW-ZDUSSCGKSA-N 1 0 275.223 3.581 10 0 CHAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000020252065 171104506 /nfs/dbraw/zinc/10/45/06/171104506.db2.gz RRWKPWNSDLYYEA-BXKDBHETSA-N 1 0 256.187 3.885 10 0 CHAERO CC[C@H]([C@@H]([NH3+])c1ccccc1)n1ccnc1C(C)C ZINC000020261737 171118695 /nfs/dbraw/zinc/11/86/95/171118695.db2.gz RQVDLAMZPFDPNM-CABCVRRESA-N 1 0 257.381 3.658 10 0 CHAERO CC[C@H](Oc1ccccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000020262546 171119789 /nfs/dbraw/zinc/11/97/89/171119789.db2.gz HWXUQCARQLSBTM-HOCLYGCPSA-N 1 0 259.324 3.683 10 0 CHAERO C[C@@H]([NH3+])c1ccc(-c2cccc(Br)c2)o1 ZINC000020267852 171124219 /nfs/dbraw/zinc/12/42/19/171124219.db2.gz QDBLSGGAHSITHJ-MRVPVSSYSA-N 1 0 266.138 3.729 10 0 CHAERO CCCCCC[C@](C)(CN)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020362590 171161693 /nfs/dbraw/zinc/16/16/93/171161693.db2.gz RTVIDVMNVCVMHZ-OWCLPIDISA-N 1 0 254.462 3.652 10 0 CHAERO CCCC[NH+](CCCC)C1(CN)CCC(C)CC1 ZINC000020362690 171161839 /nfs/dbraw/zinc/16/18/39/171161839.db2.gz REUDHPURZTVACO-UHFFFAOYSA-N 1 0 254.462 3.796 10 0 CHAERO [NH3+][C@H](Cc1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000020384616 171175413 /nfs/dbraw/zinc/17/54/13/171175413.db2.gz CYLANRKAOYXRST-QGZVFWFLSA-N 1 0 255.336 3.557 10 0 CHAERO Cc1cccc([C@@H]([NH3+])c2ccc3c(c2)CCC3)c1C ZINC000020384660 171175480 /nfs/dbraw/zinc/17/54/80/171175480.db2.gz VQTVCSANFMSYRO-SFHVURJKSA-N 1 0 251.373 3.840 10 0 CHAERO Cc1ccccc1[C@H]([NH3+])c1cccc(Br)c1 ZINC000020391222 171179591 /nfs/dbraw/zinc/17/95/91/171179591.db2.gz DRMJULAEFKJQOQ-CQSZACIVSA-N 1 0 276.177 3.806 10 0 CHAERO [NH3+][C@H](Cc1nc2ccccc2s1)c1cccs1 ZINC000020428198 171193589 /nfs/dbraw/zinc/19/35/89/171193589.db2.gz OSDJINWQOPDKHX-SECBINFHSA-N 1 0 260.387 3.600 10 0 CHAERO [NH3+][C@@H](Cc1ccccn1)c1c(Cl)cccc1Cl ZINC000020429038 171193905 /nfs/dbraw/zinc/19/39/05/171193905.db2.gz VQBOCAZEJQQSBZ-LBPRGKRZSA-N 1 0 267.159 3.631 10 0 CHAERO [NH3+][C@@H](Cc1ccccn1)c1cccc(Cl)c1Cl ZINC000020429030 171194095 /nfs/dbraw/zinc/19/40/95/171194095.db2.gz FGDZTFYHSKNBJP-LBPRGKRZSA-N 1 0 267.159 3.631 10 0 CHAERO Cc1cc([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)c(C)o1 ZINC000020438939 171203163 /nfs/dbraw/zinc/20/31/63/171203163.db2.gz HZKCXSHVORZRFB-KBXCAEBGSA-N 1 0 286.419 3.850 10 0 CHAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000020470568 171212043 /nfs/dbraw/zinc/21/20/43/171212043.db2.gz UOQLJMJEOACWPE-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO CCCCN(CCCC)[C@H](C[NH3+])c1ccccc1F ZINC000020484988 171224444 /nfs/dbraw/zinc/22/44/44/171224444.db2.gz VTEOOEIUBUGKTM-MRXNPFEDSA-N 1 0 266.404 3.728 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)c1cccc(C)c1 ZINC000020484703 171224743 /nfs/dbraw/zinc/22/47/43/171224743.db2.gz RGJPIYJJJMUXSO-QGZVFWFLSA-N 1 0 262.441 3.897 10 0 CHAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000020517099 171232623 /nfs/dbraw/zinc/23/26/23/171232623.db2.gz PHYKQPSNTYHKOP-NQBHXWOUSA-N 1 0 251.345 3.803 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2F)cc1Cl ZINC000020521837 171235304 /nfs/dbraw/zinc/23/53/04/171235304.db2.gz SCIYSPDWNDBGEY-AWEZNQCLSA-N 1 0 283.705 3.675 10 0 CHAERO COc1ccc([C@H]([NH3+])CC2CCCC2)cc1Cl ZINC000020521919 171235518 /nfs/dbraw/zinc/23/55/18/171235518.db2.gz ZOTOXVJVWZLZJQ-CYBMUJFWSA-N 1 0 253.773 3.929 10 0 CHAERO COc1ccc([C@H]([NH3+])CC(C)C)cc1Br ZINC000020522156 171235544 /nfs/dbraw/zinc/23/55/44/171235544.db2.gz LZFXLURDDNUVEZ-LLVKDONJSA-N 1 0 272.186 3.504 10 0 CHAERO CCC[NH2+]CCCOc1cc(Cl)ccc1Cl ZINC000020525061 171238228 /nfs/dbraw/zinc/23/82/28/171238228.db2.gz CWKQMPNNJTVLLF-UHFFFAOYSA-N 1 0 262.180 3.762 10 0 CHAERO CCCC[N@H+](CCCCO)CCC1=CCCCC1 ZINC000020541344 171241416 /nfs/dbraw/zinc/24/14/16/171241416.db2.gz NSCZGRDADSFIQV-UHFFFAOYSA-N 1 0 253.430 3.752 10 0 CHAERO CC(C)[C@H]([C@H](N)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000020546230 171243996 /nfs/dbraw/zinc/24/39/96/171243996.db2.gz GPQSLYWPUOZNAR-USXIJHARSA-N 1 0 260.425 3.585 10 0 CHAERO Cc1cccc(OC[C@@H]([NH3+])c2ccccc2C)c1C ZINC000020548714 171245780 /nfs/dbraw/zinc/24/57/80/171245780.db2.gz KNNIDVJTAXKGGH-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO CCOc1ccccc1[C@@H]([NH3+])COc1c(C)cccc1C ZINC000020560603 171251882 /nfs/dbraw/zinc/25/18/82/171251882.db2.gz PTPDRVPCEWLODF-INIZCTEOSA-N 1 0 285.387 3.781 10 0 CHAERO CCc1ccc([C@H]([NH3+])COc2ccccc2C)cc1 ZINC000020563166 171252654 /nfs/dbraw/zinc/25/26/54/171252654.db2.gz JWENVMNTOFBCNL-MRXNPFEDSA-N 1 0 255.361 3.636 10 0 CHAERO C[C@H]1[C@H]([NH2+]Cc2c(F)cccc2F)CCC[C@@H]1C ZINC000020565009 171253362 /nfs/dbraw/zinc/25/33/62/171253362.db2.gz VTEZYVFOBPZBAZ-FIXISWKDSA-N 1 0 253.336 3.879 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@@H]1Oc1ccc2ccccc2c1 ZINC000020564915 171253714 /nfs/dbraw/zinc/25/37/14/171253714.db2.gz OADRDKLOSGOIQV-SJORKVTESA-N 1 0 255.361 3.879 10 0 CHAERO Clc1nc2ccccc2cc1C[NH2+]C1CCCC1 ZINC000020935406 171281787 /nfs/dbraw/zinc/28/17/87/171281787.db2.gz RWDOTPXPAHNUFU-UHFFFAOYSA-N 1 0 260.768 3.920 10 0 CHAERO CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021015596 171289540 /nfs/dbraw/zinc/28/95/40/171289540.db2.gz YDNHKERSBNOVPF-MWDXBVQZSA-N 1 0 266.473 3.521 10 0 CHAERO CCC[C@H](C)[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000021502206 171306083 /nfs/dbraw/zinc/30/60/83/171306083.db2.gz YNFIUYUDQLVBNL-DOTOQJQBSA-N 1 0 262.441 3.848 10 0 CHAERO CCOc1cc2c(cc1C[NH2+]C(CC)CC)O[C@@H](C)C2 ZINC000021506167 171308015 /nfs/dbraw/zinc/30/80/15/171308015.db2.gz ZKRGSGPNKHVVBK-LBPRGKRZSA-N 1 0 277.408 3.687 10 0 CHAERO CC[NH+](CC)C1(CN)CCC(C(C)(C)CC)CC1 ZINC000021507046 171308396 /nfs/dbraw/zinc/30/83/96/171308396.db2.gz VFMKKKJNDBYOCI-UHFFFAOYSA-N 1 0 254.462 3.652 10 0 CHAERO CC[C@@H](C)C[C@](CC)(CN)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508357 171308976 /nfs/dbraw/zinc/30/89/76/171308976.db2.gz SEERTIVLJNUNCR-LVQVYYBASA-N 1 0 254.462 3.508 10 0 CHAERO Cc1ccc(OC[C@H]([NH3+])c2ccc(C)c(C)c2)cc1C ZINC000021513606 171311440 /nfs/dbraw/zinc/31/14/40/171311440.db2.gz RIWLGLMGRPOHQN-SFHVURJKSA-N 1 0 269.388 3.999 10 0 CHAERO [NH3+][C@@H](COc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000021516808 171313419 /nfs/dbraw/zinc/31/34/19/171313419.db2.gz UUGPYPHHBONURM-UUMMVJRDSA-N 1 0 271.404 3.609 10 0 CHAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccccc2C(F)(F)F)C1 ZINC000021517845 171314286 /nfs/dbraw/zinc/31/42/86/171314286.db2.gz ZQEFEZSALJENEF-XWIASGKRSA-N 1 0 273.298 3.600 10 0 CHAERO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC(C)(C)C1 ZINC000021518593 171314394 /nfs/dbraw/zinc/31/43/94/171314394.db2.gz RNXUGOWDZSAXNK-DZGCQCFKSA-N 1 0 289.419 3.762 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2ccc(C)c(C)c2)c(C)c1 ZINC000021519140 171315228 /nfs/dbraw/zinc/31/52/28/171315228.db2.gz ZYMXAQBIFVCXMX-GOSISDBHSA-N 1 0 269.388 3.999 10 0 CHAERO CC1CC[NH+](C2(CN)CCC(C(C)(C)C)CC2)CC1 ZINC000021790119 171323249 /nfs/dbraw/zinc/32/32/49/171323249.db2.gz ZEUFIWDEWKEIMF-UHFFFAOYSA-N 1 0 266.473 3.652 10 0 CHAERO CC(C)N(CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC000021788813 171323380 /nfs/dbraw/zinc/32/33/80/171323380.db2.gz GTUPWGGTHRMTGK-HOTGVXAUSA-N 1 0 268.489 3.910 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+]([C@@H](CN)c2cccc3ccccc32)C1 ZINC000021789261 171323463 /nfs/dbraw/zinc/32/34/63/171323463.db2.gz TWACVIOHZPVSNY-DOXZYTNZSA-N 1 0 282.431 3.818 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](n2cnc3ccccc32)C1 ZINC000021790358 171323886 /nfs/dbraw/zinc/32/38/86/171323886.db2.gz GXTWMNBHJWYUAG-IOASZLSFSA-N 1 0 271.408 3.751 10 0 CHAERO Cc1ccc([C@H]([NH3+])CN2c3ccccc3C[C@@H]2C)c(C)c1 ZINC000021800647 171325784 /nfs/dbraw/zinc/32/57/84/171325784.db2.gz VQPUKBCKVIUWLD-MAUKXSAKSA-N 1 0 280.415 3.754 10 0 CHAERO CCC(CC)[C@H](C[NH2+][C@H](C)CCC(C)C)N(C)C ZINC000021801447 171326257 /nfs/dbraw/zinc/32/62/57/171326257.db2.gz NLTGRHLJYDHWQM-ZBFHGGJFSA-N 1 0 256.478 3.767 10 0 CHAERO Cc1ccc([C@H](N)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000021804378 171326664 /nfs/dbraw/zinc/32/66/64/171326664.db2.gz XAKOYGRILGAVHS-QGZVFWFLSA-N 1 0 260.425 3.568 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](OCCC(C)C)C1 ZINC000021805872 171327639 /nfs/dbraw/zinc/32/76/39/171327639.db2.gz PRIZRGHTWAPYHM-KFWWJZLASA-N 1 0 255.446 3.981 10 0 CHAERO Cc1cc(C)c([C@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000021807066 171327831 /nfs/dbraw/zinc/32/78/31/171327831.db2.gz HFNAHHPEPPBDNC-JKIFEVAISA-N 1 0 274.452 3.590 10 0 CHAERO CCOc1ccc(OC[C@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000021812455 171329596 /nfs/dbraw/zinc/32/95/96/171329596.db2.gz TYMVJPRWVOGFLF-SFHVURJKSA-N 1 0 285.387 3.781 10 0 CHAERO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021812864 171329994 /nfs/dbraw/zinc/32/99/94/171329994.db2.gz RQFPSOVYTATKOV-KXBFYZLASA-N 1 0 282.431 3.975 10 0 CHAERO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021812863 171330034 /nfs/dbraw/zinc/33/00/34/171330034.db2.gz RQFPSOVYTATKOV-HNAYVOBHSA-N 1 0 282.431 3.975 10 0 CHAERO CCCCC[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000022152478 171359383 /nfs/dbraw/zinc/35/93/83/171359383.db2.gz FCZZUOVAKJTQHO-KRWDZBQOSA-N 1 0 262.441 3.849 10 0 CHAERO C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N(C)c2ccccc2)o1 ZINC000022218962 171377005 /nfs/dbraw/zinc/37/70/05/171377005.db2.gz CSQYHTXZDAMJPV-NWANDNLSSA-N 1 0 270.376 3.539 10 0 CHAERO CC[C@H](C)c1ccccc1Oc1ncccc1C[NH3+] ZINC000022222259 171378775 /nfs/dbraw/zinc/37/87/75/171378775.db2.gz FFLCBEJDQJGLIE-LBPRGKRZSA-N 1 0 256.349 3.846 10 0 CHAERO Cc1ccc(C(=O)Nc2ccccc2[C@H](C)[NH3+])c(C)c1 ZINC000022223829 171379617 /nfs/dbraw/zinc/37/96/17/171379617.db2.gz OERWDMOKGUYCEY-ZDUSSCGKSA-N 1 0 268.360 3.575 10 0 CHAERO Cc1ccc(C(=O)Nc2ccccc2[C@@H](C)[NH3+])c(C)c1 ZINC000022223827 171379844 /nfs/dbraw/zinc/37/98/44/171379844.db2.gz OERWDMOKGUYCEY-CYBMUJFWSA-N 1 0 268.360 3.575 10 0 CHAERO C[C@H]1CCCC[N@@H+]1C[C@@H](N)c1ccc2ccccc2c1 ZINC000022563393 171391123 /nfs/dbraw/zinc/39/11/23/171391123.db2.gz JDXZNHQWPKVTRF-KBXCAEBGSA-N 1 0 268.404 3.714 10 0 CHAERO Cc1ccc([C@@H]([NH3+])[C@@H](C)Oc2ccccc2F)cc1 ZINC000022564840 171391631 /nfs/dbraw/zinc/39/16/31/171391631.db2.gz WVEDLAYFARMKEF-WBMJQRKESA-N 1 0 259.324 3.601 10 0 CHAERO CCOc1ccc([C@H](CN)[NH+](CC(C)C)CC(C)C)cc1 ZINC000032056246 171694052 /nfs/dbraw/zinc/69/40/52/171694052.db2.gz ZEVCMAWOBRWEHX-SFHVURJKSA-N 1 0 292.467 3.699 10 0 CHAERO CC[NH+](CC)CCNc1nc2cc(Cl)ccc2s1 ZINC000034652155 171847310 /nfs/dbraw/zinc/84/73/10/171847310.db2.gz LEHVHSQNRDIBHT-UHFFFAOYSA-N 1 0 283.828 3.703 10 0 CHAERO CCC[NH2+][C@@H](C)c1ccccc1OCC(F)(F)F ZINC000034821225 171874708 /nfs/dbraw/zinc/87/47/08/171874708.db2.gz UHCCEMTWCLYMCA-JTQLQIEISA-N 1 0 261.287 3.688 10 0 CHAERO CCC[NH2+][C@@H](C)c1ccc(OCc2ccco2)cc1 ZINC000034842285 171885199 /nfs/dbraw/zinc/88/51/99/171885199.db2.gz LKFNXRBVVBZWKN-ZDUSSCGKSA-N 1 0 259.349 3.919 10 0 CHAERO CC[NH2+][C@@H](C)c1ccccc1Sc1ccccn1 ZINC000034846510 171888467 /nfs/dbraw/zinc/88/84/67/171888467.db2.gz RRARMCOZIQOTEK-LBPRGKRZSA-N 1 0 258.390 3.903 10 0 CHAERO CCN1CCC([NH2+][C@@H](c2cccs2)C(C)C)CC1 ZINC000035017134 171934246 /nfs/dbraw/zinc/93/42/46/171934246.db2.gz HCIIXHYYHLCFNL-OAHLLOKOSA-N 1 0 266.454 3.519 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000035054732 171956811 /nfs/dbraw/zinc/95/68/11/171956811.db2.gz VSDFFLZNAGIEAO-WDMOLILDSA-N 1 0 253.336 3.879 10 0 CHAERO CCCNC(=O)C[NH2+]C1CCCCCCCCCCC1 ZINC000035135787 172002776 /nfs/dbraw/zinc/00/27/76/172002776.db2.gz HWLJQIXPPQIMOV-UHFFFAOYSA-N 1 0 282.472 3.776 10 0 CHAERO CCCCC[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000035174599 172027684 /nfs/dbraw/zinc/02/76/84/172027684.db2.gz SOTQVPFXBXNGJV-QGZVFWFLSA-N 1 0 254.377 3.951 10 0 CHAERO C[N@H+](C1CCCCC1)C1(CN)CCCCCCC1 ZINC000035176667 172029282 /nfs/dbraw/zinc/02/92/82/172029282.db2.gz IGPBPONTGXEMDW-UHFFFAOYSA-N 1 0 252.446 3.693 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@](C)(CN)CCC(C)C ZINC000035176729 172030384 /nfs/dbraw/zinc/03/03/84/172030384.db2.gz BHHUGZWPUOXRGC-INIZCTEOSA-N 1 0 254.462 3.795 10 0 CHAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000035258153 172089229 /nfs/dbraw/zinc/08/92/29/172089229.db2.gz RGEDKZVYFYWEHM-QWRGUYRKSA-N 1 0 263.328 3.959 10 0 CHAERO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)cs1 ZINC000035258201 172089787 /nfs/dbraw/zinc/08/97/87/172089787.db2.gz LJLFNHIBWNZDGU-QWRGUYRKSA-N 1 0 278.343 3.662 10 0 CHAERO FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000035273172 172093227 /nfs/dbraw/zinc/09/32/27/172093227.db2.gz IUCPYFPKDMFMMH-MNOVXSKESA-N 1 0 293.354 3.728 10 0 CHAERO Nc1ccc(NCCc2cccs2)c2cc[nH+]cc12 ZINC000035332622 172130925 /nfs/dbraw/zinc/13/09/25/172130925.db2.gz WBFNNMJDWPYZHK-UHFFFAOYSA-N 1 0 269.373 3.533 10 0 CHAERO C[C@@H]1CCCC[C@@H]1Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332605 172131010 /nfs/dbraw/zinc/13/10/10/172131010.db2.gz WOJAAMDWYBVATP-ABAIWWIYSA-N 1 0 255.365 3.808 10 0 CHAERO C[N@H+](Cc1ccc(Cl)s1)Cc1ccccc1N ZINC000035360846 172152255 /nfs/dbraw/zinc/15/22/55/172152255.db2.gz ZLLRKHFDSKJDEM-UHFFFAOYSA-N 1 0 266.797 3.616 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2)cc1F ZINC000035424341 172192404 /nfs/dbraw/zinc/19/24/04/172192404.db2.gz WDXFXCSYUBRAEU-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO C[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000035427484 172194802 /nfs/dbraw/zinc/19/48/02/172194802.db2.gz BVPHOCMXVMGTJN-SECBINFHSA-N 1 0 251.276 3.722 10 0 CHAERO CC[C@@H](C)[C@@H]([NH2+]C)c1cc(Br)ccc1OC ZINC000035456516 172206718 /nfs/dbraw/zinc/20/67/18/172206718.db2.gz ZPQFABWPICZLSM-NOZJJQNGSA-N 1 0 286.213 3.764 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(F)c(F)c2)s1 ZINC000035460832 172208832 /nfs/dbraw/zinc/20/88/32/172208832.db2.gz KNTADJJQDHHSPT-AWEZNQCLSA-N 1 0 267.344 3.898 10 0 CHAERO C[NH2+][C@@H](c1ccsc1)c1ccc(OC)c(Cl)c1 ZINC000035461582 172209743 /nfs/dbraw/zinc/20/97/43/172209743.db2.gz QZJRRDZJKAJYGU-CYBMUJFWSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)cc1)C(C)(C)C ZINC000035462458 172210778 /nfs/dbraw/zinc/21/07/78/172210778.db2.gz MLYLAGPAISAXPI-LLVKDONJSA-N 1 0 256.187 3.756 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000035462297 172210901 /nfs/dbraw/zinc/21/09/01/172210901.db2.gz RCTGZJQERUWRHV-OAHLLOKOSA-N 1 0 275.779 3.852 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)cc1)C1CCCC1 ZINC000035462946 172211131 /nfs/dbraw/zinc/21/11/31/172211131.db2.gz STLSOZVOALZWNT-CYBMUJFWSA-N 1 0 268.198 3.900 10 0 CHAERO C[NH2+][C@H](c1cccc(Cl)c1)c1cc(F)ccc1F ZINC000035468779 172218712 /nfs/dbraw/zinc/21/87/12/172218712.db2.gz XKXQNAFMINBGQO-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)c1cccc(OC)c1 ZINC000035497708 172231148 /nfs/dbraw/zinc/23/11/48/172231148.db2.gz CGDNEYAXCOTWSM-HNNXBMFYSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1F ZINC000035498342 172232296 /nfs/dbraw/zinc/23/22/96/172232296.db2.gz LCBKEILBPCJUSE-GFCCVEGCSA-N 1 0 255.745 3.849 10 0 CHAERO C[NH2+][C@@H](c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000035501437 172236000 /nfs/dbraw/zinc/23/60/00/172236000.db2.gz LNGLWDLJBLDEEY-GFCCVEGCSA-N 1 0 256.132 3.895 10 0 CHAERO C[NH2+][C@@H](c1cccc(C)c1)c1ccc(OC)c(C)c1 ZINC000035506528 172239266 /nfs/dbraw/zinc/23/92/66/172239266.db2.gz AGDITZJSPXPVTQ-KRWDZBQOSA-N 1 0 255.361 3.621 10 0 CHAERO CC[NH2+][C@H](c1cc(Br)ccc1OC)C(C)C ZINC000035508872 172240924 /nfs/dbraw/zinc/24/09/24/172240924.db2.gz CDBHDCJIQFMTAH-ZDUSSCGKSA-N 1 0 286.213 3.764 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)cc1C ZINC000035543322 172250641 /nfs/dbraw/zinc/25/06/41/172250641.db2.gz RNIAZOIUZOXOBV-LBPRGKRZSA-N 1 0 261.287 3.607 10 0 CHAERO CC[NH2+][C@H](c1occc1C)c1ccc(OC)cc1C ZINC000035542980 172250684 /nfs/dbraw/zinc/25/06/84/172250684.db2.gz KZRCVAUMUJATJE-HNNXBMFYSA-N 1 0 259.349 3.604 10 0 CHAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)C1CCCC1 ZINC000035544861 172252854 /nfs/dbraw/zinc/25/28/54/172252854.db2.gz WTWRNQSDMZFCRV-AWEZNQCLSA-N 1 0 257.299 3.945 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccccc1OCC ZINC000035545619 172253419 /nfs/dbraw/zinc/25/34/19/172253419.db2.gz CKELWNMSEKPWOO-HNNXBMFYSA-N 1 0 261.390 3.846 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(F)cc1F ZINC000035547240 172255083 /nfs/dbraw/zinc/25/50/83/172255083.db2.gz QMNBUFZLMPJGGS-ZDUSSCGKSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(F)c(F)c1 ZINC000035548579 172257147 /nfs/dbraw/zinc/25/71/47/172257147.db2.gz WOFUSKSAWYUQQN-CYBMUJFWSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1ccc2c(c1)CCC2 ZINC000035551174 172258406 /nfs/dbraw/zinc/25/84/06/172258406.db2.gz NRCKVHYSKBZMMZ-INIZCTEOSA-N 1 0 257.402 3.936 10 0 CHAERO CC[NH2+][C@@H](CC)c1cc2c(cc1Cl)OCCCO2 ZINC000035557325 172262821 /nfs/dbraw/zinc/26/28/21/172262821.db2.gz VMQKUMASYCOMLK-LBPRGKRZSA-N 1 0 269.772 3.562 10 0 CHAERO CC[NH2+][C@@H](c1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000035559723 172264179 /nfs/dbraw/zinc/26/41/79/172264179.db2.gz RWORQXMEKLWHFY-WPRPVWTQSA-N 1 0 280.220 3.885 10 0 CHAERO CCC[NH2+][C@H](c1cccs1)c1ccc(OC)cc1 ZINC000035576283 172272559 /nfs/dbraw/zinc/27/25/59/172272559.db2.gz SLCCRRKKHJZOEO-HNNXBMFYSA-N 1 0 261.390 3.846 10 0 CHAERO CCC[NH2+][C@@H](CC)c1cc(OC)c(OC)cc1Cl ZINC000035584691 172284347 /nfs/dbraw/zinc/28/43/47/172284347.db2.gz UXCRVYFUXAJPEL-LBPRGKRZSA-N 1 0 271.788 3.808 10 0 CHAERO Cc1ccc(OCCc2ccccc2)c([C@@H](C)[NH3+])c1 ZINC000035629454 172309513 /nfs/dbraw/zinc/30/95/13/172309513.db2.gz BPRLUFLWDKCOFD-CQSZACIVSA-N 1 0 255.361 3.636 10 0 CHAERO CCC[NH2+][C@H]1CCCOc2c(Br)cc(C)cc21 ZINC000035653789 172330181 /nfs/dbraw/zinc/33/01/81/172330181.db2.gz WWENJAUADXRGHG-ZDUSSCGKSA-N 1 0 298.224 3.971 10 0 CHAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccncc1 ZINC000035661975 172340106 /nfs/dbraw/zinc/34/01/06/172340106.db2.gz COBIVLZPEVYJCV-UHFFFAOYSA-N 1 0 297.185 3.687 10 0 CHAERO C[N@H+](Cc1cccs1)Cc1ccc(Cl)c(N)c1 ZINC000035716594 172369956 /nfs/dbraw/zinc/36/99/56/172369956.db2.gz PCHNNYYIDWVOOZ-UHFFFAOYSA-N 1 0 266.797 3.616 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717700 172372142 /nfs/dbraw/zinc/37/21/42/172372142.db2.gz NTPCCZFXQYEKBI-SNVBAGLBSA-N 1 0 264.369 3.543 10 0 CHAERO C[NH2+][C@H](C)c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719340 172374202 /nfs/dbraw/zinc/37/42/02/172374202.db2.gz ZVLKGOLQTLCQLO-LLVKDONJSA-N 1 0 278.396 3.804 10 0 CHAERO [NH3+]Cc1cc(C(F)(F)F)ccc1Sc1ccccn1 ZINC000035720146 172374658 /nfs/dbraw/zinc/37/46/58/172374658.db2.gz VDFDLUHLRSJFGR-UHFFFAOYSA-N 1 0 284.306 3.710 10 0 CHAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccc(F)cc2)C1 ZINC000035723589 172378764 /nfs/dbraw/zinc/37/87/64/172378764.db2.gz WIXDDQIWPJVWRP-UHIISALHSA-N 1 0 253.386 3.681 10 0 CHAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccccn2)C1 ZINC000035723856 172379118 /nfs/dbraw/zinc/37/91/18/172379118.db2.gz WMHPPQNVIYZKAC-MGPQQGTHSA-N 1 0 264.438 3.717 10 0 CHAERO c1ccc(CC[NH2+][C@H]2CSCc3ccccc32)cc1 ZINC000037202227 173026360 /nfs/dbraw/zinc/02/63/60/173026360.db2.gz GGTVQMXLBOAFJG-KRWDZBQOSA-N 1 0 269.413 3.807 10 0 CHAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cccc(C)c2C)C1 ZINC000037210384 173032637 /nfs/dbraw/zinc/03/26/37/173032637.db2.gz SGZXPHNDCAWXFU-CVEARBPZSA-N 1 0 260.425 3.836 10 0 CHAERO C[C@@H](Nc1ccc(F)cc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000037222090 173041982 /nfs/dbraw/zinc/04/19/82/173041982.db2.gz OVMRPCYHRDGWKZ-MNOVXSKESA-N 1 0 270.779 3.621 10 0 CHAERO CC(C)[C@H](C[NH2+][C@H](c1ccccc1)C(C)C)N(C)C ZINC000037233465 173051873 /nfs/dbraw/zinc/05/18/73/173051873.db2.gz FVCAZKMOVWTUNV-IRXDYDNUSA-N 1 0 262.441 3.560 10 0 CHAERO CC(C)[C@H]([NH2+]C[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000037233463 173052294 /nfs/dbraw/zinc/05/22/94/173052294.db2.gz FVCAZKMOVWTUNV-SJORKVTESA-N 1 0 262.441 3.560 10 0 CHAERO C[NH2+]Cc1cc(F)ccc1Oc1cc(C)ccc1C ZINC000037237690 173055569 /nfs/dbraw/zinc/05/55/69/173055569.db2.gz DACLDWNJVMKZKY-UHFFFAOYSA-N 1 0 259.324 3.954 10 0 CHAERO CC(C)C[C@H](C)Oc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000037306677 173110269 /nfs/dbraw/zinc/11/02/69/173110269.db2.gz WGCDQMFPLCONRY-JTQLQIEISA-N 1 0 275.314 3.978 10 0 CHAERO CC(C)c1nn(C)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000037312629 173114872 /nfs/dbraw/zinc/11/48/72/173114872.db2.gz KJTRPVAJZLKEIV-UHFFFAOYSA-N 1 0 265.445 3.848 10 0 CHAERO CC[C@H](C(=O)c1ccccc1)[N@H+](C)C1CCCCC1 ZINC000037333186 173134194 /nfs/dbraw/zinc/13/41/94/173134194.db2.gz PNXZVTCPFIWGFT-MRXNPFEDSA-N 1 0 259.393 3.912 10 0 CHAERO CCC[C@@H](C)[N@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037339341 173139974 /nfs/dbraw/zinc/13/99/74/173139974.db2.gz GZNAESCMRRKDFF-OAHLLOKOSA-N 1 0 261.409 3.915 10 0 CHAERO C[NH2+]CCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000037386953 173170680 /nfs/dbraw/zinc/17/06/80/173170680.db2.gz QSUJAMAZBSUZOT-UHFFFAOYSA-N 1 0 295.597 3.585 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+](Cc2c(N)cccc2Br)C1 ZINC000037401820 173177998 /nfs/dbraw/zinc/17/79/98/173177998.db2.gz HEOFDTGJHSXGJG-QWRGUYRKSA-N 1 0 297.240 3.509 10 0 CHAERO Nc1ccc(Cl)c(C[NH+]2CCCCCCC2)c1 ZINC000037403081 173179616 /nfs/dbraw/zinc/17/96/16/173179616.db2.gz QEOGJVOCRXRHSU-UHFFFAOYSA-N 1 0 252.789 3.688 10 0 CHAERO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(C)ccc2n1C(C)C ZINC000037438567 173209035 /nfs/dbraw/zinc/20/90/35/173209035.db2.gz WZJJLDDGLAPIGJ-DOMZBBRYSA-N 1 0 259.397 3.972 10 0 CHAERO CCCC[C@@H]([NH3+])c1nc2cc(F)ccc2n1CCC ZINC000037439559 173209747 /nfs/dbraw/zinc/20/97/47/173209747.db2.gz KGLOHVNKASLLKY-GFCCVEGCSA-N 1 0 263.360 3.775 10 0 CHAERO C[C@@]([NH3+])(Cc1ccccc1Cl)c1cccc(F)c1 ZINC000037531236 173253594 /nfs/dbraw/zinc/25/35/94/173253594.db2.gz XBVJINYKYKYYRM-OAHLLOKOSA-N 1 0 263.743 3.896 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1cccc(OC)c1 ZINC000037533252 173253911 /nfs/dbraw/zinc/25/39/11/173253911.db2.gz LTSCRISBTNGUDR-KRWDZBQOSA-N 1 0 255.361 3.507 10 0 CHAERO C[C@@H]([NH3+])Cc1cc(Cl)ccc1OCc1ccsc1 ZINC000037725859 173644314 /nfs/dbraw/zinc/64/43/14/173644314.db2.gz AFUNCNICXHNZAH-SNVBAGLBSA-N 1 0 281.808 3.870 10 0 CHAERO C([NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1CCOC1 ZINC000037738819 173659186 /nfs/dbraw/zinc/65/91/86/173659186.db2.gz PPXYFOUXRYGNMF-USXIJHARSA-N 1 0 265.441 3.752 10 0 CHAERO COc1ccc([C@](C)([NH3+])c2cc(C)cc(C)c2)cc1 ZINC000037745959 173668210 /nfs/dbraw/zinc/66/82/10/173668210.db2.gz AWEJAXDSQRUJRF-KRWDZBQOSA-N 1 0 255.361 3.534 10 0 CHAERO CC[C@H](Cc1cccc(C(F)(F)F)c1)[C@@H](C)[NH2+]C ZINC000038004613 173966426 /nfs/dbraw/zinc/96/64/26/173966426.db2.gz KSNHYLHNVWUXCN-ZYHUDNBSSA-N 1 0 259.315 3.882 10 0 CHAERO CC[C@@H](Cc1ccc(F)cc1Br)[C@@H](C)[NH3+] ZINC000038004466 173966441 /nfs/dbraw/zinc/96/64/41/173966441.db2.gz LCUZQVXVKALPQX-BDAKNGLRSA-N 1 0 274.177 3.504 10 0 CHAERO CCC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccccc1 ZINC000038028171 174016524 /nfs/dbraw/zinc/01/65/24/174016524.db2.gz FQZLXLGZBFHYGO-AEFFLSMTSA-N 1 0 274.452 3.992 10 0 CHAERO CCC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1 ZINC000038028173 174016663 /nfs/dbraw/zinc/01/66/63/174016663.db2.gz FQZLXLGZBFHYGO-WMZOPIPTSA-N 1 0 274.452 3.992 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c(C)c1 ZINC000038028509 174017113 /nfs/dbraw/zinc/01/71/13/174017113.db2.gz UHYOECSRNPYCGA-SJORKVTESA-N 1 0 274.452 3.828 10 0 CHAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(C)cc1 ZINC000038028579 174017686 /nfs/dbraw/zinc/01/76/86/174017686.db2.gz BONNGBQGSFDZFZ-SJLPKXTDSA-N 1 0 274.452 3.910 10 0 CHAERO CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccccc1OC ZINC000038028974 174017913 /nfs/dbraw/zinc/01/79/13/174017913.db2.gz ZEOCCVYTOXEEPD-WBVHZDCISA-N 1 0 290.451 3.610 10 0 CHAERO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N1CCCCC1 ZINC000038028791 174017982 /nfs/dbraw/zinc/01/79/82/174017982.db2.gz OJVOIFYAVIONJR-HZPDHXFCSA-N 1 0 286.463 3.700 10 0 CHAERO Cc1ccc([C@@H]([NH2+]C[C@@H](C)N2CCCCC2)C2CC2)cc1 ZINC000038029021 174018736 /nfs/dbraw/zinc/01/87/36/174018736.db2.gz NFJHZVSXFPJZPN-VQIMIIECSA-N 1 0 286.463 3.910 10 0 CHAERO Cc1ccc([C@H](C)[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032475 174029130 /nfs/dbraw/zinc/02/91/30/174029130.db2.gz AQZYOIGUDSAARM-AWEZNQCLSA-N 1 0 266.388 3.697 10 0 CHAERO FC(F)(F)c1cccc(Cl)c1NC1CC[NH2+]CC1 ZINC000038040795 174040895 /nfs/dbraw/zinc/04/08/95/174040895.db2.gz ATFKGATWMYBFHV-UHFFFAOYSA-N 1 0 278.705 3.523 10 0 CHAERO c1ccc(Oc2ccc(NC3CC[NH2+]CC3)cc2)cc1 ZINC000038040508 174041348 /nfs/dbraw/zinc/04/13/48/174041348.db2.gz SXBZHDOYUFONSI-UHFFFAOYSA-N 1 0 268.360 3.643 10 0 CHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038044162 174051455 /nfs/dbraw/zinc/05/14/55/174051455.db2.gz SMMHIAFWSPFGIW-WBVHZDCISA-N 1 0 275.436 3.962 10 0 CHAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@H]1C[C@@H]1C ZINC000038058218 174068655 /nfs/dbraw/zinc/06/86/55/174068655.db2.gz ULBXSHATVVSVHL-NUTKFTJISA-N 1 0 259.393 3.708 10 0 CHAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@@H]1C[C@@H]1C ZINC000038058216 174068862 /nfs/dbraw/zinc/06/88/62/174068862.db2.gz ULBXSHATVVSVHL-MJEQTWJJSA-N 1 0 259.393 3.708 10 0 CHAERO CCC[NH2+]Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC000038070930 174081916 /nfs/dbraw/zinc/08/19/16/174081916.db2.gz VWOLETKKKRUFIJ-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO CC[NH2+]Cc1cc(-c2cccc(C)c2)ccc1OC ZINC000038071566 174082742 /nfs/dbraw/zinc/08/27/42/174082742.db2.gz IWLZWWGHFQQLTQ-UHFFFAOYSA-N 1 0 255.361 3.780 10 0 CHAERO C[NH2+][C@@H](C)c1ccccc1-c1cc(F)ccc1OC ZINC000038073383 174083262 /nfs/dbraw/zinc/08/32/62/174083262.db2.gz YVCZNUDUAJHRKU-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO CC[NH2+]Cc1ccc(-c2cc(F)ccc2OC)cc1 ZINC000038073361 174083269 /nfs/dbraw/zinc/08/32/69/174083269.db2.gz PYEGTOPRQOJSHP-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO C[NH2+]Cc1ccc(-c2ccc3c(c2)CCC3)cc1F ZINC000038073350 174083431 /nfs/dbraw/zinc/08/34/31/174083431.db2.gz ZXZUUOIODFBBGY-UHFFFAOYSA-N 1 0 255.336 3.701 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1ccc(OC)cc1F ZINC000038073797 174084065 /nfs/dbraw/zinc/08/40/65/174084065.db2.gz GOUUSMGHKJRGIF-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO CC[NH2+][C@@H]1COc2c1cc1ccccc1c2Br ZINC000038077579 174088171 /nfs/dbraw/zinc/08/81/71/174088171.db2.gz RCYHPLFUXDQUDG-GFCCVEGCSA-N 1 0 292.176 3.645 10 0 CHAERO [NH3+]CCCCOc1ccc2ccccc2c1Br ZINC000038077665 174088323 /nfs/dbraw/zinc/08/83/23/174088323.db2.gz WBLURIJXKWTPQE-UHFFFAOYSA-N 1 0 294.192 3.720 10 0 CHAERO CCOc1cccc([C@@H]([NH3+])c2ccccc2Cl)c1 ZINC000038078468 174088636 /nfs/dbraw/zinc/08/86/36/174088636.db2.gz DMWNZOVJSYTZRF-OAHLLOKOSA-N 1 0 261.752 3.787 10 0 CHAERO CCCC[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(F)cc1 ZINC000038088190 174100795 /nfs/dbraw/zinc/10/07/95/174100795.db2.gz GEVAHROGQZMZIW-XJKSGUPXSA-N 1 0 266.404 3.597 10 0 CHAERO C[C@@H](NC[C@@H](C)[NH+](C)C)c1c(Cl)ccc(F)c1Cl ZINC000038088304 174101731 /nfs/dbraw/zinc/10/17/31/174101731.db2.gz WMQZFELNNOMYDY-RKDXNWHRSA-N 1 0 293.213 3.733 10 0 CHAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038095356 174108650 /nfs/dbraw/zinc/10/86/50/174108650.db2.gz NBMAPNHPOHVOPM-RDJZCZTQSA-N 1 0 259.393 3.613 10 0 CHAERO C[NH2+][C@H](Cc1cccs1)c1cc(F)ccc1F ZINC000038132748 174132088 /nfs/dbraw/zinc/13/20/88/174132088.db2.gz NOENAWMBQVGECC-CYBMUJFWSA-N 1 0 253.317 3.530 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000038134019 174132315 /nfs/dbraw/zinc/13/23/15/174132315.db2.gz XAVMGAXIKWNPBJ-HNNXBMFYSA-N 1 0 265.278 3.607 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1OC)c1sccc1C ZINC000038135010 174132396 /nfs/dbraw/zinc/13/23/96/174132396.db2.gz ZBSUHYMUAAPVSQ-ZDUSSCGKSA-N 1 0 261.390 3.568 10 0 CHAERO CC1CCN([C@H](C[NH3+])c2ccc(C(C)(C)C)cc2)CC1 ZINC000038688809 174152244 /nfs/dbraw/zinc/15/22/44/174152244.db2.gz LCRUYKXOXKFUBK-QGZVFWFLSA-N 1 0 274.452 3.716 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H]1CCCC[NH2+]1 ZINC000039566332 174170124 /nfs/dbraw/zinc/17/01/24/174170124.db2.gz IPBUIVCNBXWVAD-QKPAOTATSA-N 1 0 253.430 3.606 10 0 CHAERO CC(C)n1c2cc(Cl)ccc2nc1[C@@H]1CCC[NH2+]1 ZINC000040417423 174256130 /nfs/dbraw/zinc/25/61/30/174256130.db2.gz NWIBBSIULKQYKU-LBPRGKRZSA-N 1 0 263.772 3.695 10 0 CHAERO COc1ccc(C)cc1C[C@H](C[NH3+])Cc1cccc(C)c1 ZINC000041441409 174553629 /nfs/dbraw/zinc/55/36/29/174553629.db2.gz IUPYIRZPTMEJHD-QGZVFWFLSA-N 1 0 283.415 3.672 10 0 CHAERO [NH3+]C[C@H](Cc1ccccc1)c1cccc(Br)c1 ZINC000041466913 174557354 /nfs/dbraw/zinc/55/73/54/174557354.db2.gz TWGINPDDMVPYIA-AWEZNQCLSA-N 1 0 290.204 3.734 10 0 CHAERO Cc1c(C[NH2+]C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000042355610 174694172 /nfs/dbraw/zinc/69/41/72/174694172.db2.gz JUDDPKDNWBKCQX-UHFFFAOYSA-N 1 0 296.201 3.740 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901026 174906104 /nfs/dbraw/zinc/90/61/04/174906104.db2.gz ZNIGMWKJKATTAC-NVXWUHKLSA-N 1 0 262.441 3.977 10 0 CHAERO CC[C@H]([NH3+])[C@@H](SCC(C)C)c1ccc(F)cc1 ZINC000042943572 174918916 /nfs/dbraw/zinc/91/89/16/174918916.db2.gz VJARMOONFIOTFO-KBPBESRZSA-N 1 0 255.402 3.993 10 0 CHAERO [NH3+]C[C@H](Sc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000042943655 174918949 /nfs/dbraw/zinc/91/89/49/174918949.db2.gz FAMHQLXVUQWPNA-AWEZNQCLSA-N 1 0 283.318 3.896 10 0 CHAERO C[C@H]([NH3+])[C@H](Sc1ccccn1)c1ccc(Cl)cc1 ZINC000042950267 174923692 /nfs/dbraw/zinc/92/36/92/174923692.db2.gz CLAOXPFVOGWTGD-HZMBPMFUSA-N 1 0 278.808 3.916 10 0 CHAERO CC[C@@H]([NH3+])[C@H](SCC(C)C)c1cccc(F)c1 ZINC000042974624 174937969 /nfs/dbraw/zinc/93/79/69/174937969.db2.gz COMORCQPBMGCMS-ZIAGYGMSSA-N 1 0 255.402 3.993 10 0 CHAERO COc1cccc([C@H](C[NH3+])Sc2ccccc2C)c1 ZINC000043032838 174949225 /nfs/dbraw/zinc/94/92/25/174949225.db2.gz LYENMIMGHVDMAH-INIZCTEOSA-N 1 0 273.401 3.796 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)s1)c1ccccc1C ZINC000043041803 174953750 /nfs/dbraw/zinc/95/37/50/174953750.db2.gz MIYSLVCHSMEJOW-CHWSQXEVSA-N 1 0 293.461 3.726 10 0 CHAERO Cc1csc(S[C@H](c2ccccc2C)[C@@H](C)[NH3+])n1 ZINC000043041169 174953842 /nfs/dbraw/zinc/95/38/42/174953842.db2.gz LSBCJOLDCUFEKU-YPMHNXCESA-N 1 0 278.446 3.941 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OC1CCCCC1)c1ccccc1F ZINC000043046477 174957156 /nfs/dbraw/zinc/95/71/56/174957156.db2.gz LHUGKIBYANNHHW-HOTGVXAUSA-N 1 0 265.372 3.953 10 0 CHAERO C[C@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1)c1ccccc1F ZINC000043046929 174957619 /nfs/dbraw/zinc/95/76/19/174957619.db2.gz PLXCPMNNRSGKHK-ZUZCIYMTSA-N 1 0 279.742 3.946 10 0 CHAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)Cc1ccsc1 ZINC000043051397 174959930 /nfs/dbraw/zinc/95/99/30/174959930.db2.gz VFTADIBUMHQCJO-ABAIWWIYSA-N 1 0 294.851 3.922 10 0 CHAERO COc1ccccc1[C@@H](O[C@@H](C)CC(C)C)[C@@H](C)[NH3+] ZINC000043099625 174967325 /nfs/dbraw/zinc/96/73/25/174967325.db2.gz YCKKPAWSCUJAPX-ZENOOKHLSA-N 1 0 265.397 3.535 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Oc1cccc(C)c1)c1cccs1 ZINC000043108434 174973565 /nfs/dbraw/zinc/97/35/65/174973565.db2.gz JWHAEMUYZIFYNW-DZGCQCFKSA-N 1 0 261.390 3.914 10 0 CHAERO CC[C@H]([NH3+])[C@H](OCc1cccs1)c1cccs1 ZINC000043112223 174974575 /nfs/dbraw/zinc/97/45/75/174974575.db2.gz CDCCNASQUMTNEC-AAEUAGOBSA-N 1 0 267.419 3.805 10 0 CHAERO COc1ccc(S[C@H](C[NH3+])c2cccs2)cc1 ZINC000043112977 174974681 /nfs/dbraw/zinc/97/46/81/174974681.db2.gz OEHDTKPXEYUAGS-CYBMUJFWSA-N 1 0 265.403 3.549 10 0 CHAERO CC[NH2+][C@H](c1cccc(C)c1)c1cc(F)cc(F)c1 ZINC000043388035 175033015 /nfs/dbraw/zinc/03/30/15/175033015.db2.gz HZZWQCPCTVXBMP-MRXNPFEDSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@@H](C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000043512160 175060454 /nfs/dbraw/zinc/06/04/54/175060454.db2.gz PNRPBWDVGDRXGC-MNOVXSKESA-N 1 0 259.315 3.882 10 0 CHAERO [NH3+][C@H]1CCCC[C@@H]1Cc1sccc1Br ZINC000043676315 175088350 /nfs/dbraw/zinc/08/83/50/175088350.db2.gz HFGGPQULCBEQLY-SCZZXKLOSA-N 1 0 274.227 3.571 10 0 CHAERO CC[NH2+][C@H](CC)CCc1cc(Br)cs1 ZINC000043688050 175094922 /nfs/dbraw/zinc/09/49/22/175094922.db2.gz JOVXBYWJXQCLGE-SNVBAGLBSA-N 1 0 276.243 3.831 10 0 CHAERO CCCc1ccc([C@H](O)C[NH+](CCC)CCC)cc1 ZINC000044120193 175142611 /nfs/dbraw/zinc/14/26/11/175142611.db2.gz PSJBYTWLIZSMRD-QGZVFWFLSA-N 1 0 263.425 3.795 10 0 CHAERO CCCc1ccc([C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121861 175143110 /nfs/dbraw/zinc/14/31/10/175143110.db2.gz JICXLKONOIVWJB-RVKKMQEKSA-N 1 0 275.436 3.935 10 0 CHAERO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(C)cc1 ZINC000044125874 175144178 /nfs/dbraw/zinc/14/41/78/175144178.db2.gz PLJWXYAAPMOFLA-QGZVFWFLSA-N 1 0 263.425 3.931 10 0 CHAERO CC[C@@H]([NH3+])Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000044409845 175171612 /nfs/dbraw/zinc/17/16/12/175171612.db2.gz XEXUMTDVXCLIGR-CYBMUJFWSA-N 1 0 259.324 3.898 10 0 CHAERO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CCOCC ZINC000044469425 175177791 /nfs/dbraw/zinc/17/77/91/175177791.db2.gz APZRJUKSSOGCKK-RRFJBIMHSA-N 1 0 255.446 3.854 10 0 CHAERO CCC[NH2+]Cc1nc2cccc(Cl)c2n1C(C)C ZINC000044624131 175220414 /nfs/dbraw/zinc/22/04/14/175220414.db2.gz MTMOMAHCPYSROA-UHFFFAOYSA-N 1 0 265.788 3.770 10 0 CHAERO COc1ccccc1-c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000045205717 175327868 /nfs/dbraw/zinc/32/78/68/175327868.db2.gz HABGJEAXGZTMAW-UHFFFAOYSA-N 1 0 276.405 3.625 10 0 CHAERO c1ccc(Oc2ccccc2C2CC[NH2+]CC2)cc1 ZINC000045301026 175355173 /nfs/dbraw/zinc/35/51/73/175355173.db2.gz YWIYMDPWBAXEKQ-UHFFFAOYSA-N 1 0 253.345 3.946 10 0 in-vivo CHAERO C[NH2+][C@@H]1CCCC[C@H]1Cc1cc(Br)cs1 ZINC000049864616 175501951 /nfs/dbraw/zinc/50/19/51/175501951.db2.gz GYECACOETOCODF-JOYOIKCWSA-N 1 0 288.254 3.831 10 0 CHAERO CC(C)(C)[C@@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000070821340 176007460 /nfs/dbraw/zinc/00/74/60/176007460.db2.gz ZRNGMEQORDGYNS-GFCCVEGCSA-N 1 0 268.198 3.682 10 0 CHAERO C[NH2+][C@@H](C)c1csc(-c2ccc(Br)cc2)n1 ZINC000070841061 176008535 /nfs/dbraw/zinc/00/85/35/176008535.db2.gz DCRHCTBBLDJEFN-QMMMGPOBSA-N 1 0 297.221 3.853 10 0 CHAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](Oc2cc(F)ccc2F)C1 ZINC000071167613 176049637 /nfs/dbraw/zinc/04/96/37/176049637.db2.gz ASMVVCLUYCSAFB-RIEGTJTDSA-N 1 0 269.335 3.640 10 0 CHAERO C[C@H](Cc1cccs1)NC(=[NH2+])C1CCCCC1 ZINC000071275735 176106737 /nfs/dbraw/zinc/10/67/37/176106737.db2.gz STQLIDIVENOJPD-LLVKDONJSA-N 1 0 250.411 3.826 10 0 CHAERO Brc1ccc(CC[C@H]2CCCC[NH2+]2)cc1 ZINC000071599580 176224664 /nfs/dbraw/zinc/22/46/64/176224664.db2.gz KPOKXVLHYXXXPK-CYBMUJFWSA-N 1 0 268.198 3.524 10 0 CHAERO Brc1ccc(CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000071599579 176224719 /nfs/dbraw/zinc/22/47/19/176224719.db2.gz KPOKXVLHYXXXPK-ZDUSSCGKSA-N 1 0 268.198 3.524 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2c1ccccc1C ZINC000071631838 176236567 /nfs/dbraw/zinc/23/65/67/176236567.db2.gz NGQOYFGHZNRZDB-GOSISDBHSA-N 1 0 281.399 3.974 10 0 CHAERO Clc1ccc([C@]23CCC[C@H]2C[NH2+]C3)cc1Cl ZINC000072112638 176317420 /nfs/dbraw/zinc/31/74/20/176317420.db2.gz ZOSQXAHBYHMVCA-GXFFZTMASA-N 1 0 256.176 3.635 10 0 CHAERO Cc1ccc(OC[C@H](CC[NH3+])c2ccccc2)cc1 ZINC000076660488 177048851 /nfs/dbraw/zinc/04/88/51/177048851.db2.gz KDEMERIMRSADPO-INIZCTEOSA-N 1 0 255.361 3.506 10 0 CHAERO CC(C)(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000076661554 177049200 /nfs/dbraw/zinc/04/92/00/177049200.db2.gz LEORONMYOKEITH-JTQLQIEISA-N 1 0 256.187 3.538 10 0 CHAERO CC(C)(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000076661561 177049319 /nfs/dbraw/zinc/04/93/19/177049319.db2.gz IEJYWTIKLXBSNB-NSHDSACASA-N 1 0 256.187 3.538 10 0 CHAERO [NH3+]CC[C@H](CCc1ccccc1F)c1ccccc1 ZINC000076664547 177050775 /nfs/dbraw/zinc/05/07/75/177050775.db2.gz PLWNAWXZXGFNGQ-HNNXBMFYSA-N 1 0 257.352 3.891 10 0 CHAERO Cc1cc([C@H](CC[NH3+])CCc2ccco2)ccc1F ZINC000076672496 177054181 /nfs/dbraw/zinc/05/41/81/177054181.db2.gz XDMZVPBMOFRUGH-ZDUSSCGKSA-N 1 0 261.340 3.792 10 0 CHAERO [NH3+]CC[C@H](CCc1cccc(Cl)c1)c1cccnc1 ZINC000076722130 177069938 /nfs/dbraw/zinc/06/99/38/177069938.db2.gz HBVRCQMJISNPHH-AWEZNQCLSA-N 1 0 274.795 3.800 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccc(Cl)cc1)c1ccncc1 ZINC000076722160 177069953 /nfs/dbraw/zinc/06/99/53/177069953.db2.gz BOLOSVHOXSKVIT-CQSZACIVSA-N 1 0 274.795 3.800 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccc(Cl)cc1)c1ccccn1 ZINC000076722118 177070091 /nfs/dbraw/zinc/07/00/91/177070091.db2.gz ZATRYJOEFWPRFZ-CQSZACIVSA-N 1 0 274.795 3.800 10 0 CHAERO CCC[NH2+]CCc1csc(-c2ccc(C)cc2)n1 ZINC000076729853 177071915 /nfs/dbraw/zinc/07/19/15/177071915.db2.gz XMXCABZTGBQZTA-UHFFFAOYSA-N 1 0 260.406 3.661 10 0 CHAERO CCCOc1cccc(-c2nc([C@H](C)[NH2+]C)cs2)c1 ZINC000076784874 177092149 /nfs/dbraw/zinc/09/21/49/177092149.db2.gz FRJVUZKALABPTL-NSHDSACASA-N 1 0 276.405 3.879 10 0 CHAERO C[NH2+][C@H](C)c1csc(Cc2cccc(Cl)c2)n1 ZINC000076784752 177092249 /nfs/dbraw/zinc/09/22/49/177092249.db2.gz FKICKVGECZYFMZ-SECBINFHSA-N 1 0 266.797 3.668 10 0 CHAERO C[NH2+][C@@H](C)c1csc(Cc2cccc(Cl)c2)n1 ZINC000076784750 177092396 /nfs/dbraw/zinc/09/23/96/177092396.db2.gz FKICKVGECZYFMZ-VIFPVBQESA-N 1 0 266.797 3.668 10 0 CHAERO [NH3+]C[C@@H](c1cccs1)c1cc(Br)cs1 ZINC000076805100 177099824 /nfs/dbraw/zinc/09/98/24/177099824.db2.gz GOWQSCIOKFYUNN-QMMMGPOBSA-N 1 0 288.235 3.663 10 0 CHAERO COCc1c2ccc3ccccc3c2oc1C[NH2+]C1CC1 ZINC000077072323 177188369 /nfs/dbraw/zinc/18/83/69/177188369.db2.gz MZTQYTYOUVWAAO-UHFFFAOYSA-N 1 0 281.355 3.984 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000037166846 260072281 /nfs/dbraw/zinc/07/22/81/260072281.db2.gz NNPWUKPMONCAKU-GDBMZVCRSA-N 1 0 292.492 3.789 10 0 CHAERO Cc1ccncc1-c1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000333241943 228194618 /nfs/dbraw/zinc/19/46/18/228194618.db2.gz WMXZTWOSVAFEPY-OAHLLOKOSA-N 1 0 298.390 3.520 10 0 CHAERO COCCCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180134830 260094473 /nfs/dbraw/zinc/09/44/73/260094473.db2.gz NBZSKBYUVVVFFN-UHFFFAOYSA-N 1 0 295.426 3.891 10 0 CHAERO COCCC[C@H](C)[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180228692 260096053 /nfs/dbraw/zinc/09/60/53/260096053.db2.gz YDGLJOFJHAJBFQ-JKIFEVAISA-N 1 0 261.409 3.633 10 0 CHAERO CCCCC1CCC(C(=O)N2CCCC[C@H]2CC[NH3+])CC1 ZINC000074535300 260165590 /nfs/dbraw/zinc/16/55/90/260165590.db2.gz CPBYDQLSPZYIJE-JCYILVPMSA-N 1 0 294.483 3.713 10 0 CHAERO CCCn1ccc(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000091009727 260264444 /nfs/dbraw/zinc/26/44/44/260264444.db2.gz AGXSUFMCDHUGPH-UHFFFAOYSA-N 1 0 294.345 3.789 10 0 CHAERO CCn1cccc1C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000091023836 260265272 /nfs/dbraw/zinc/26/52/72/260265272.db2.gz TZUPNACECOLURW-CQSZACIVSA-N 1 0 272.392 3.676 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC000040502237 260285232 /nfs/dbraw/zinc/28/52/32/260285232.db2.gz HAHHIUWJYSAUQH-HOTGVXAUSA-N 1 0 280.843 3.865 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC000040502235 260285269 /nfs/dbraw/zinc/28/52/69/260285269.db2.gz HAHHIUWJYSAUQH-CVEARBPZSA-N 1 0 280.843 3.865 10 0 CHAERO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCOc3ccccc32)s1 ZINC000040517937 260290200 /nfs/dbraw/zinc/29/02/00/260290200.db2.gz PMYADTGSEGIOLC-FZMZJTMJSA-N 1 0 288.416 3.934 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000130350436 260395558 /nfs/dbraw/zinc/39/55/58/260395558.db2.gz CWMJAUPWTOYJKO-YIZRAAEISA-N 1 0 289.242 3.745 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOc3ccccc31)CC2 ZINC000173230607 261158791 /nfs/dbraw/zinc/15/87/91/261158791.db2.gz SYYILZFQEVJQLO-QZTJIDSGSA-N 1 0 295.382 3.796 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000300420501 261200366 /nfs/dbraw/zinc/20/03/66/261200366.db2.gz LSZFAULWBHLFMO-GARJFASQSA-N 1 0 276.302 3.755 10 0 CHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000106206012 261322916 /nfs/dbraw/zinc/32/29/16/261322916.db2.gz RJVARLSXXNEFQH-MRXNPFEDSA-N 1 0 275.440 3.754 10 0 CHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000106216141 261323358 /nfs/dbraw/zinc/32/33/58/261323358.db2.gz POGVUZJSCOOAIP-KRWDZBQOSA-N 1 0 283.419 3.591 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccco1 ZINC000178065289 261375853 /nfs/dbraw/zinc/37/58/53/261375853.db2.gz WJOQXYVXNGWUIR-KGLIPLIRSA-N 1 0 259.349 3.536 10 0 CHAERO CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000178165357 261377207 /nfs/dbraw/zinc/37/72/07/261377207.db2.gz NIPJYZYUEOHCDT-UONOGXRCSA-N 1 0 255.446 3.590 10 0 CHAERO CC[C@H](COC)[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000178520045 261747071 /nfs/dbraw/zinc/74/70/71/261747071.db2.gz VRDVAEHOXMZPOE-FRRDWIJNSA-N 1 0 292.448 3.803 10 0 CHAERO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000178590378 261751817 /nfs/dbraw/zinc/75/18/17/261751817.db2.gz OQAPMCGVCLMFMN-GHMZBOCLSA-N 1 0 273.779 3.945 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000390579547 262221733 /nfs/dbraw/zinc/22/17/33/262221733.db2.gz YHLXEHPJSKSPGE-HZPDHXFCSA-N 1 0 299.414 3.518 10 0 CHAERO Cc1ccc(C[NH2+][C@H](C)COCc2ccccc2)cc1C ZINC000390575133 262222002 /nfs/dbraw/zinc/22/20/02/262222002.db2.gz VVVALTXZPBRZHS-QGZVFWFLSA-N 1 0 283.415 3.998 10 0 CHAERO C[C@H](COCc1ccccc1)Nc1cc[nH+]c2ccccc12 ZINC000390659374 262236256 /nfs/dbraw/zinc/23/62/56/262236256.db2.gz LQEGAZOGSSOIQT-OAHLLOKOSA-N 1 0 292.382 3.674 10 0 CHAERO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000221582837 262284572 /nfs/dbraw/zinc/28/45/72/262284572.db2.gz NOIXTKXFLACKBH-LSDHHAIUSA-N 1 0 269.473 3.980 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000222153419 262288520 /nfs/dbraw/zinc/28/85/20/262288520.db2.gz LRFVRZKEKQPBKY-NWANDNLSSA-N 1 0 275.392 3.515 10 0 CHAERO C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1cncc(F)c1 ZINC000221896202 262320584 /nfs/dbraw/zinc/32/05/84/262320584.db2.gz YZTJLTCODARYPH-NXEZZACHSA-N 1 0 280.293 3.911 10 0 CHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000186937484 262331005 /nfs/dbraw/zinc/33/10/05/262331005.db2.gz MFUPIIXOQKVVOT-RKDXNWHRSA-N 1 0 289.192 3.678 10 0 CHAERO [NH3+]CCC[C@@H](Nc1ccncc1Cl)c1ccccc1 ZINC000312043623 262346624 /nfs/dbraw/zinc/34/66/24/262346624.db2.gz XSTKHDDWMMLUGL-CQSZACIVSA-N 1 0 275.783 3.627 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1C ZINC000390856474 262354602 /nfs/dbraw/zinc/35/46/02/262354602.db2.gz JTKNKFIRCDKYNA-GWCFXTLKSA-N 1 0 285.382 3.606 10 0 CHAERO CC[C@@H](CO)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000021012517 262374053 /nfs/dbraw/zinc/37/40/53/262374053.db2.gz KDGSXWGPZAVWPS-HKUYNNGSSA-N 1 0 283.415 3.753 10 0 CHAERO C[C@@H](NC(=O)CCCCCC[NH3+])[C@H](C)C1CCCCC1 ZINC000161586295 264289817 /nfs/dbraw/zinc/28/98/17/264289817.db2.gz RIDBKWMNKDYMHK-LSDHHAIUSA-N 1 0 282.472 3.617 10 0 CHAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956640 264338214 /nfs/dbraw/zinc/33/82/14/264338214.db2.gz ZMNVTASBGXTFSF-DLBZAZTESA-N 1 0 288.435 3.560 10 0 CHAERO Cc1noc(C)c1C[N@H+]1CC=C(c2cccs2)CC1 ZINC000117893969 267225205 /nfs/dbraw/zinc/22/52/05/267225205.db2.gz ZAHGOTGRXLABAY-UHFFFAOYSA-N 1 0 274.389 3.642 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000310041786 327851628 /nfs/dbraw/zinc/85/16/28/327851628.db2.gz YZHXUFSQWJPVCN-BREBYQMCSA-N 1 0 283.213 3.683 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+]Cc2ccnn2C(C)C)c1 ZINC000394649133 327906433 /nfs/dbraw/zinc/90/64/33/327906433.db2.gz SIKRYMFOSNAUFL-CQSZACIVSA-N 1 0 257.381 3.623 10 0 CHAERO CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C(C)C ZINC000049127421 328341639 /nfs/dbraw/zinc/34/16/39/328341639.db2.gz JVSSCFGABAGDPE-CYBMUJFWSA-N 1 0 283.799 3.635 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C)C(C)C ZINC000049126839 328341253 /nfs/dbraw/zinc/34/12/53/328341253.db2.gz NXOYQCSSNPRESZ-OLZOCXBDSA-N 1 0 259.397 3.659 10 0 CHAERO Cc1ccccc1C[NH2+]Cc1ccnc2ccccc12 ZINC000111763336 328377131 /nfs/dbraw/zinc/37/71/31/328377131.db2.gz SKMAQYPPKSNVJU-UHFFFAOYSA-N 1 0 262.356 3.833 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000050182390 328388234 /nfs/dbraw/zinc/38/82/34/328388234.db2.gz GAAINVUWPVEQDM-HOTGVXAUSA-N 1 0 277.456 3.845 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000157896610 326922261 /nfs/dbraw/zinc/92/22/61/326922261.db2.gz UQXNMWCZEBCKIA-FGTAOJJYSA-N 1 0 279.468 3.994 10 0 CHAERO Clc1ccc(CC[NH2+]CC2CCOCC2)c(Cl)c1 ZINC000052171847 326987111 /nfs/dbraw/zinc/98/71/11/326987111.db2.gz YMUXXBRQNCMUPR-UHFFFAOYSA-N 1 0 288.218 3.552 10 0 CHAERO Nc1cccc2c1CCCN2C[C@@H]1CCCC(F)(F)C1 ZINC000261562452 327020987 /nfs/dbraw/zinc/02/09/87/327020987.db2.gz AKGOOGXPNZLQGF-GFCCVEGCSA-N 1 0 280.362 3.847 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000252715707 327033480 /nfs/dbraw/zinc/03/34/80/327033480.db2.gz WLPFTEUBDPKWED-VSYUYLJXSA-N 1 0 256.176 3.979 10 0 CHAERO CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1ccc(Cl)cc1 ZINC000093649574 327132696 /nfs/dbraw/zinc/13/26/96/327132696.db2.gz KSMCRPWLBYRKJB-OAHLLOKOSA-N 1 0 277.799 3.623 10 0 CHAERO Cc1c(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)cnn1C ZINC000093649505 327132748 /nfs/dbraw/zinc/13/27/48/327132748.db2.gz DTRTYCZMMUJRMK-CQSZACIVSA-N 1 0 285.435 3.778 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)Cc2ccccc2C)c1 ZINC000091012417 327165397 /nfs/dbraw/zinc/16/53/97/327165397.db2.gz BXBPJLVBFUWLCX-INIZCTEOSA-N 1 0 270.420 3.927 10 0 CHAERO NCC[N@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC000042428165 327238073 /nfs/dbraw/zinc/23/80/73/327238073.db2.gz CMESJDOGWRZNHK-UHFFFAOYSA-N 1 0 268.404 3.543 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+]C1CC2(CCC2)C1 ZINC000448072792 327417700 /nfs/dbraw/zinc/41/77/00/327417700.db2.gz WOSNEVOISDRCTK-AWEZNQCLSA-N 1 0 259.393 3.514 10 0 CHAERO CC(C)Cc1ccc([C@H](C)[NH2+]CC2CCOCC2)cc1 ZINC000052176340 328640295 /nfs/dbraw/zinc/64/02/95/328640295.db2.gz RVPSWMNJDSLINH-HNNXBMFYSA-N 1 0 275.436 3.962 10 0 CHAERO CC[C@@H]([NH2+]Cc1ccccc1Br)C(C)C ZINC000042419260 328767730 /nfs/dbraw/zinc/76/77/30/328767730.db2.gz USZCLBNBUQAWNF-CYBMUJFWSA-N 1 0 270.214 3.973 10 0 CHAERO CCCc1cc(N(C)Cc2noc(C)n2)c2ccccc2[nH+]1 ZINC000302162820 328831296 /nfs/dbraw/zinc/83/12/96/328831296.db2.gz KDPDOVJCWLPIOI-UHFFFAOYSA-N 1 0 296.374 3.515 10 0 CHAERO COc1ccccc1C[C@H]([NH2+]CC1(SC)CC1)C(C)C ZINC000193814070 329063180 /nfs/dbraw/zinc/06/31/80/329063180.db2.gz UHDMFQDQCSZFTI-HNNXBMFYSA-N 1 0 293.476 3.748 10 0 CHAERO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173647021 329150232 /nfs/dbraw/zinc/15/02/32/329150232.db2.gz JFVVPTIOZOLCAG-BLLLJJGKSA-N 1 0 289.810 3.972 10 0 CHAERO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173647038 329150244 /nfs/dbraw/zinc/15/02/44/329150244.db2.gz JFVVPTIOZOLCAG-MLGOLLRUSA-N 1 0 289.810 3.972 10 0 CHAERO Cc1cccc([C@H](C)[NH2+]CC[C@H]2c3ccccc3NC2=O)c1 ZINC000173818202 329152485 /nfs/dbraw/zinc/15/24/85/329152485.db2.gz FSBBTDRPZJOCPU-YOEHRIQHSA-N 1 0 294.398 3.772 10 0 CHAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000175653267 329167699 /nfs/dbraw/zinc/16/76/99/329167699.db2.gz QHZYDPXJOGWFOH-RDJZCZTQSA-N 1 0 299.418 3.598 10 0 CHAERO c1[nH]c([C@H]2CCC[N@@H+](C3CCC3)C2)nc1-c1ccccc1 ZINC000179574972 329209852 /nfs/dbraw/zinc/20/98/52/329209852.db2.gz CHCPZEFPGAHFOI-HNNXBMFYSA-N 1 0 281.403 3.809 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1ccoc1 ZINC000180016359 329214610 /nfs/dbraw/zinc/21/46/10/329214610.db2.gz PKRMXGDVAFEUIL-KGLIPLIRSA-N 1 0 270.376 3.554 10 0 CHAERO Cc1cc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000180429370 329216742 /nfs/dbraw/zinc/21/67/42/329216742.db2.gz AGBKDMXPOZWIME-MRXNPFEDSA-N 1 0 289.810 3.719 10 0 CHAERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc3ccccc3n2)[C@@H](C)C1 ZINC000181282808 329229513 /nfs/dbraw/zinc/22/95/13/329229513.db2.gz HHWOKWJKLBHZRI-DOXZYTNZSA-N 1 0 297.446 3.614 10 0 CHAERO C[C@@H]1c2cccn2CC[N@H+]1CCC(Cl)(Cl)Cl ZINC000184412825 329257541 /nfs/dbraw/zinc/25/75/41/329257541.db2.gz HGCFXGLULJJBDN-SECBINFHSA-N 1 0 281.614 3.625 10 0 CHAERO Cc1cc(-c2ccc(OC3CC3)cc2)ccc1C[NH3+] ZINC000395377747 329287884 /nfs/dbraw/zinc/28/78/84/329287884.db2.gz XGRINNXRZCFGQQ-UHFFFAOYSA-N 1 0 253.345 3.662 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CCCC(F)(F)F)o1 ZINC000229604731 329356598 /nfs/dbraw/zinc/35/65/98/329356598.db2.gz XYDBFVFXAYYBGO-SCZZXKLOSA-N 1 0 264.291 3.755 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)[C@H]1C[C@H]1C ZINC000321939195 329433258 /nfs/dbraw/zinc/43/32/58/329433258.db2.gz UWJCEOOHMVWFAT-UXOAXIEHSA-N 1 0 277.408 3.789 10 0 CHAERO CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1ccc(Cl)cc1 ZINC000040773955 329558050 /nfs/dbraw/zinc/55/80/50/329558050.db2.gz HWCBIQWHCACFIX-LSDHHAIUSA-N 1 0 269.816 3.788 10 0 CHAERO CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(Cl)cc1 ZINC000040773958 329558057 /nfs/dbraw/zinc/55/80/57/329558057.db2.gz HWCBIQWHCACFIX-HUUCEWRRSA-N 1 0 269.816 3.788 10 0 CHAERO CC1(C)C[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000045117455 329596921 /nfs/dbraw/zinc/59/69/21/329596921.db2.gz SCOCPGOLINCLRT-NEPJUHHUSA-N 1 0 251.370 3.751 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cc(F)c(F)c(F)c1 ZINC000248142479 329887682 /nfs/dbraw/zinc/88/76/82/329887682.db2.gz PUCNXLQYCLZXQK-DSLLTWJKSA-N 1 0 299.336 3.568 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000248813986 329899679 /nfs/dbraw/zinc/89/96/79/329899679.db2.gz KTJINGJYKITMLT-ONENECBXSA-N 1 0 299.336 3.712 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc(F)ccc1F ZINC000248853836 329900754 /nfs/dbraw/zinc/90/07/54/329900754.db2.gz PCVOLPPWRCANDD-YNZJMPHRSA-N 1 0 281.346 3.573 10 0 CHAERO C[C@H](CC[NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000248873320 329901308 /nfs/dbraw/zinc/90/13/08/329901308.db2.gz ILESHADQIKFHQF-FHLIZLRMSA-N 1 0 273.420 3.727 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc(Br)c1 ZINC000251286741 329928157 /nfs/dbraw/zinc/92/81/57/329928157.db2.gz QYKQSCRACCEYCB-BPNCWPANSA-N 1 0 298.224 3.667 10 0 CHAERO COCc1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)o1 ZINC000268800386 330066771 /nfs/dbraw/zinc/06/67/71/330066771.db2.gz PUUJIWPHRGHYLF-NSHDSACASA-N 1 0 279.767 3.930 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1ccoc1 ZINC000379615832 330141991 /nfs/dbraw/zinc/14/19/91/330141991.db2.gz BGCGPCNCNJUMBA-APWZRJJASA-N 1 0 298.430 3.985 10 0 CHAERO CC(C)n1cc(C[NH2+]C2CCC(C(F)(F)F)CC2)cn1 ZINC000226240493 330216294 /nfs/dbraw/zinc/21/62/94/330216294.db2.gz BROFLLOUASMXFR-UHFFFAOYSA-N 1 0 289.345 3.675 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000397174281 330241609 /nfs/dbraw/zinc/24/16/09/330241609.db2.gz FZTYAWQDUGSCGI-IJEWVQPXSA-N 1 0 253.430 3.608 10 0 CHAERO Cc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)no1 ZINC000044295862 330327326 /nfs/dbraw/zinc/32/73/26/330327326.db2.gz YXHVZLLZXOKJOV-JISDDCRVSA-N 1 0 274.408 3.678 10 0 CHAERO Cc1csc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000079055103 330330308 /nfs/dbraw/zinc/33/03/08/330330308.db2.gz GKOGCADOGRHVRI-ZJUUUORDSA-N 1 0 278.343 3.662 10 0 CHAERO COc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000044673984 330331512 /nfs/dbraw/zinc/33/15/12/330331512.db2.gz WMEQSYNCKCDHKB-XKQJLSEDSA-N 1 0 267.372 3.902 10 0 CHAERO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(C)C)cc1 ZINC000045041533 330337407 /nfs/dbraw/zinc/33/74/07/330337407.db2.gz ZFOHTQQJRJLTFW-SJORKVTESA-N 1 0 261.409 3.857 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2C)c1C ZINC000045172629 330340549 /nfs/dbraw/zinc/34/05/49/330340549.db2.gz YIKNVKHTEIBWJH-HEHGZKQESA-N 1 0 277.456 3.997 10 0 CHAERO CCC1(CC)C[NH2+]C[C@H]1c1cccc(Br)c1 ZINC000536951340 330382331 /nfs/dbraw/zinc/38/23/31/330382331.db2.gz QNRMGNJCZFECKH-ZDUSSCGKSA-N 1 0 282.225 3.942 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1OC(F)(F)F ZINC000120425138 330388736 /nfs/dbraw/zinc/38/87/36/330388736.db2.gz WSPHHXMOHIQALM-YWVKMMECSA-N 1 0 259.271 3.644 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(OC(F)(F)F)c1 ZINC000120555958 330389373 /nfs/dbraw/zinc/38/93/73/330389373.db2.gz WXBVPHSPCCSBHP-HOTUBEGUSA-N 1 0 259.271 3.644 10 0 CHAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)cc1 ZINC000120770788 330391264 /nfs/dbraw/zinc/39/12/64/330391264.db2.gz SRBGBSZFSDGVSR-UKRRQHHQSA-N 1 0 279.449 3.878 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000121658524 330404440 /nfs/dbraw/zinc/40/44/40/330404440.db2.gz YTFSYDRAIQZBKR-VBQJREDUSA-N 1 0 277.408 3.549 10 0 CHAERO CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)s1 ZINC000149792161 330577992 /nfs/dbraw/zinc/57/79/92/330577992.db2.gz APYOWHGZPMMIJK-JSGCOSHPSA-N 1 0 281.465 3.686 10 0 CHAERO C[C@@H]1CC(C[NH2+]CCc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000459541855 331286852 /nfs/dbraw/zinc/28/68/52/331286852.db2.gz NERXDZNPXHQVRV-CHWSQXEVSA-N 1 0 281.827 3.676 10 0 CHAERO C[C@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)[C@@H]1CCOC1 ZINC000165315344 331306116 /nfs/dbraw/zinc/30/61/16/331306116.db2.gz HCZQIICWIBGXER-YSVLISHTSA-N 1 0 273.420 3.715 10 0 CHAERO CC[C@H](O)CC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000166130826 331306585 /nfs/dbraw/zinc/30/65/85/331306585.db2.gz JPCCSPIFYSUVLV-PKOBYXMFSA-N 1 0 283.415 3.835 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000167283593 331308227 /nfs/dbraw/zinc/30/82/27/331308227.db2.gz OJSZQESYPXRTNH-KEMBBXRSSA-N 1 0 284.172 3.574 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2cccc(Cl)c2F)C[C@@H](C)O1 ZINC000466408402 331395511 /nfs/dbraw/zinc/39/55/11/331395511.db2.gz FWUPQSZOHONGNL-GHMZBOCLSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@H]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000466423543 331395558 /nfs/dbraw/zinc/39/55/58/331395558.db2.gz ATTAVNANJMVMMB-NFAWXSAZSA-N 1 0 253.430 3.748 10 0 CHAERO CCc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000466411657 331395696 /nfs/dbraw/zinc/39/56/96/331395696.db2.gz DSJOYHRQEASRPS-XOIINTDNSA-N 1 0 261.409 3.542 10 0 CHAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466423414 331396405 /nfs/dbraw/zinc/39/64/05/331396405.db2.gz CTADPVOSDFWKCO-SBJFKYEJSA-N 1 0 253.430 3.604 10 0 CHAERO 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TVYQYXFWWBFECN-YOIVXCQUSA-N 1 0 269.310 3.974 10 0 CHAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC000383549534 336113699 /nfs/dbraw/zinc/11/36/99/336113699.db2.gz SEBIWVXQHZFLLO-OKZBNKHCSA-N 1 0 279.468 3.972 10 0 CHAERO CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000385732466 336155447 /nfs/dbraw/zinc/15/54/47/336155447.db2.gz ASRFLTZCAMCWOK-ZIAGYGMSSA-N 1 0 255.446 3.590 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000053011151 519725410 /nfs/dbraw/zinc/72/54/10/519725410.db2.gz ACHXCWBBBBJREW-GFCCVEGCSA-N 1 0 286.341 3.530 10 0 CHAERO CC(C)[NH2+]C[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000052966083 519722890 /nfs/dbraw/zinc/72/28/90/519722890.db2.gz RMIRBOIHHCEEGO-NSHDSACASA-N 1 0 275.314 3.762 10 0 CHAERO CC(C)C[NH2+]CCC[C@@H](C)n1ncc2ccccc21 ZINC000052574190 519743834 /nfs/dbraw/zinc/74/38/34/519743834.db2.gz MGNCMEMTRQHMFX-CQSZACIVSA-N 1 0 259.397 3.623 10 0 CHAERO CC[NH2+]CCCCCO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629441 519918944 /nfs/dbraw/zinc/91/89/44/519918944.db2.gz MEOQEANFZSVOOB-HUUCEWRRSA-N 1 0 255.446 3.998 10 0 CHAERO CCC[NH2+]C[C@@H](OCc1ccco1)c1ccccc1 ZINC000052602071 519921997 /nfs/dbraw/zinc/92/19/97/519921997.db2.gz VUTWPDJCNYNKTP-MRXNPFEDSA-N 1 0 259.349 3.537 10 0 CHAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1cc(Br)ccc1F ZINC000054592246 519927398 /nfs/dbraw/zinc/92/73/98/519927398.db2.gz UFVJKLVTTZVBGM-ONGXEEELSA-N 1 0 286.188 3.691 10 0 CHAERO CCCNC[C@H](C(C)C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517353 519929066 /nfs/dbraw/zinc/92/90/66/519929066.db2.gz PKLXRJMBGFNJTJ-IAGOWNOFSA-N 1 0 266.473 3.665 10 0 CHAERO CCC[NH2+]C[C@H](OC1CCCC1)c1ccc(F)cc1 ZINC000050487802 519933084 /nfs/dbraw/zinc/93/30/84/519933084.db2.gz ABTBTTPVWJSNDZ-INIZCTEOSA-N 1 0 265.372 3.826 10 0 CHAERO CCC[NH2+]C[C@H](CC)N(C)Cc1ccc(Cl)cc1 ZINC000052346297 519931943 /nfs/dbraw/zinc/93/19/43/519931943.db2.gz TUHJURXFOJESOG-HNNXBMFYSA-N 1 0 268.832 3.550 10 0 CHAERO CCC[NH2+]C[C@](CC)(CCCOC)c1ccccc1 ZINC000054659336 519940440 /nfs/dbraw/zinc/94/04/40/519940440.db2.gz UDKZDSVJEXWYMD-KRWDZBQOSA-N 1 0 263.425 3.761 10 0 CHAERO CCC[NH2+][C@@H](C)c1c(C)nn(C[C@@H](C)CCC)c1C ZINC000054718429 519987012 /nfs/dbraw/zinc/98/70/12/519987012.db2.gz DQROHIKKSXLLAX-STQMWFEESA-N 1 0 265.445 3.997 10 0 CHAERO CCC[NH2+][C@H](CC1CC1)c1cc(OC)ccc1OC ZINC000049730162 520070119 /nfs/dbraw/zinc/07/01/19/520070119.db2.gz MSJKQEMFKJLDGC-OAHLLOKOSA-N 1 0 263.381 3.545 10 0 CHAERO CC[C@@H](C)OCc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052669346 522252834 /nfs/dbraw/zinc/25/28/34/522252834.db2.gz PVFSJIPGUQDGBG-CYBMUJFWSA-N 1 0 253.386 3.649 10 0 CHAERO C[NH2+][C@@H](C)c1sc(N(C)C2CCCCC2)nc1C ZINC000054899398 522339704 /nfs/dbraw/zinc/33/97/04/522339704.db2.gz KHSIRTBXLDGLJH-JTQLQIEISA-N 1 0 267.442 3.501 10 0 CHAERO C[NH2+][C@@H](C)c1sc(N(C)c2cccc(C)c2)nc1C ZINC000054907358 522340775 /nfs/dbraw/zinc/34/07/75/522340775.db2.gz DYOBZGRGWWKZNA-NSHDSACASA-N 1 0 275.421 3.808 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)c(F)c1)c1cc(F)ccc1C ZINC000055224184 522367023 /nfs/dbraw/zinc/36/70/23/522367023.db2.gz AUCBQNDZVODNST-INIZCTEOSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@H]1CCCCCC[C@H]1Oc1cccc(F)c1F ZINC000062614079 522491355 /nfs/dbraw/zinc/49/13/55/522491355.db2.gz NVHYCTFLOYLKCO-QWHCGFSZSA-N 1 0 269.335 3.654 10 0 CHAERO CC(C)(C)[NH2+]C[C@@]1(Cc2ccccc2Cl)CCOC1 ZINC000054665526 518761591 /nfs/dbraw/zinc/76/15/91/518761591.db2.gz ITIDKYJGEQMXRH-INIZCTEOSA-N 1 0 281.827 3.677 10 0 CHAERO CC(C)(C)[C@H]1[NH2+]CCc2c(OC(F)F)cccc21 ZINC000052095677 518982896 /nfs/dbraw/zinc/98/28/96/518982896.db2.gz HNOUAHCTRJNCSA-LBPRGKRZSA-N 1 0 255.308 3.521 10 0 CHAERO CC(C)C[C@@H]1CN(Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062671511 519270382 /nfs/dbraw/zinc/27/03/82/519270382.db2.gz ZDCHDFBZPSVELH-MRXNPFEDSA-N 1 0 280.843 3.550 10 0 CHAERO CC(C)[NH+]1CCC(Nc2cnc3ccccc3c2)CC1 ZINC000036989866 519673723 /nfs/dbraw/zinc/67/37/23/519673723.db2.gz BPQGPBFFXQKJAM-UHFFFAOYSA-N 1 0 269.392 3.520 10 0 CHAERO CC(C)C[N@H+](C[C@@H]1C[C@H](C(C)C)CCC1=O)C(C)C ZINC000054559309 519717768 /nfs/dbraw/zinc/71/77/68/519717768.db2.gz NBITWJZGRYJNJN-CVEARBPZSA-N 1 0 267.457 3.994 10 0 CHAERO CC(C)[NH2+]CC1(CC2CCOCC2)CCCCC1 ZINC000054654990 519719706 /nfs/dbraw/zinc/71/97/06/519719706.db2.gz HQOWCJBMXMKIPG-UHFFFAOYSA-N 1 0 253.430 3.752 10 0 CHAERO CC(C)NC[C@@H](C(C)C)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546502 519722852 /nfs/dbraw/zinc/72/28/52/519722852.db2.gz CMHLLBTUMFFJEC-XHSDSOJGSA-N 1 0 254.462 3.520 10 0 CHAERO CC(C)C[NH2+]CC[C@H](C)N(C)Cc1ccccc1Cl ZINC000052372036 519743974 /nfs/dbraw/zinc/74/39/74/519743974.db2.gz YNLFWOSQWGZRFX-AWEZNQCLSA-N 1 0 282.859 3.796 10 0 CHAERO CC(C)C[NH2+]C[C@@H](C)CN(C)Cc1ccc(Cl)s1 ZINC000052508933 519744512 /nfs/dbraw/zinc/74/45/12/519744512.db2.gz KLJQUAZMANVEHP-GFCCVEGCSA-N 1 0 288.888 3.715 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1c1ccc(OC(C)C)cc1 ZINC000054597889 519745443 /nfs/dbraw/zinc/74/54/43/519745443.db2.gz NZNOPGUGIGLXBY-RDJZCZTQSA-N 1 0 261.409 3.823 10 0 CHAERO CC(C)OCC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000070138945 519768508 /nfs/dbraw/zinc/76/85/08/519768508.db2.gz RAYVELKUDGOCBJ-CWJHNBGESA-N 1 0 265.441 3.606 10 0 CHAERO CC(C)Oc1ccc([C@H]([NH3+])Cc2cccs2)cc1 ZINC000055264613 519781867 /nfs/dbraw/zinc/78/18/67/519781867.db2.gz NNOWGACRNCEBDX-OAHLLOKOSA-N 1 0 261.390 3.778 10 0 CHAERO CC(C)Oc1cccc([C@@H]([NH3+])c2ccc(F)cc2)c1 ZINC000061666123 519783609 /nfs/dbraw/zinc/78/36/09/519783609.db2.gz MNPLOYLUAJZBME-INIZCTEOSA-N 1 0 259.324 3.661 10 0 CHAERO CC(C)[C@H](C)[NH2+]Cc1cscc1C(F)(F)F ZINC000309414719 519813202 /nfs/dbraw/zinc/81/32/02/519813202.db2.gz YPKYDZUEXYDLCN-QMMMGPOBSA-N 1 0 251.317 3.901 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000049195092 519814639 /nfs/dbraw/zinc/81/46/39/519814639.db2.gz HSTFWLYHZHJUFQ-AWEZNQCLSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@H]1CCc2nc([C@H]3CCCC[NH2+]3)sc2C1 ZINC000054556896 519826024 /nfs/dbraw/zinc/82/60/24/519826024.db2.gz ODEWLEPAFFSKES-WCQYABFASA-N 1 0 264.438 3.719 10 0 CHAERO CC(C)c1ccc(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054601655 519836746 /nfs/dbraw/zinc/83/67/46/519836746.db2.gz YAJOZJWEQWZEQX-ZXFUBFMLSA-N 1 0 258.409 3.659 10 0 CHAERO CC(C)c1ccc([C@@H](O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000054681749 519839278 /nfs/dbraw/zinc/83/92/78/519839278.db2.gz DQWYSYCSWKYRHA-IAGOWNOFSA-N 1 0 255.361 3.543 10 0 CHAERO CCC1CCC([NH3+])(c2ccc(OC)c(F)c2)CC1 ZINC000055261874 519853961 /nfs/dbraw/zinc/85/39/61/519853961.db2.gz PPUJTEYDYNRZPC-UHFFFAOYSA-N 1 0 251.345 3.589 10 0 CHAERO CCCC1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000050893058 519902886 /nfs/dbraw/zinc/90/28/86/519902886.db2.gz DNXFHHIFGQMVGR-INIZCTEOSA-N 1 0 280.843 3.852 10 0 CHAERO CCC[NH2+]C1CCN([C@@H](C)c2ccc(C)s2)CC1 ZINC000049183937 519906437 /nfs/dbraw/zinc/90/64/37/519906437.db2.gz QBJXIARPJUPPMZ-ZDUSSCGKSA-N 1 0 266.454 3.582 10 0 CHAERO CCC[NH2+]C[C@@H](Cc1ccccc1OC)CC(C)C ZINC000052968224 519920976 /nfs/dbraw/zinc/92/09/76/519920976.db2.gz YZVMFOIVHMDCLH-OAHLLOKOSA-N 1 0 263.425 3.900 10 0 CHAERO CCC[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1 ZINC000053010532 519922546 /nfs/dbraw/zinc/92/25/46/519922546.db2.gz SUOSNSHXBILHEF-NSHDSACASA-N 1 0 287.234 3.819 10 0 CHAERO CCC[NH2+]C[C@H](Cc1ccc(OC)c(F)c1)C(C)C ZINC000052971811 519932794 /nfs/dbraw/zinc/93/27/94/519932794.db2.gz GEZMTAKPRSCYEJ-AWEZNQCLSA-N 1 0 267.388 3.649 10 0 CHAERO CC[NH2+]C[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1 ZINC000066056215 519950592 /nfs/dbraw/zinc/95/05/92/519950592.db2.gz ZGCOVOYNAZIVDN-INIZCTEOSA-N 1 0 296.414 3.915 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C ZINC000052330467 519973798 /nfs/dbraw/zinc/97/37/98/519973798.db2.gz DNRXEXCYSGBJAA-UHFFFAOYSA-N 1 0 260.406 3.927 10 0 CHAERO CC[NH2+]Cc1ccc(N(C)c2ccccc2)c(C)c1 ZINC000050559747 519997779 /nfs/dbraw/zinc/99/77/79/519997779.db2.gz BVTDSBXCCQWBSC-UHFFFAOYSA-N 1 0 254.377 3.872 10 0 CHAERO CC[NH2+]Cc1cccc(Oc2ccc(CC)cc2)n1 ZINC000051546681 520006861 /nfs/dbraw/zinc/00/68/61/520006861.db2.gz ZCOPMLGQTYAETK-UHFFFAOYSA-N 1 0 256.349 3.546 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(C)s1)[C@@H]1CCCOC1 ZINC000062233454 520015793 /nfs/dbraw/zinc/01/57/93/520015793.db2.gz HEYGUIHZJGDKHV-TZMCWYRMSA-N 1 0 253.411 3.524 10 0 CHAERO CCC[NH2+][C@@H]1CCCC[C@H]1n1ncc2ccccc21 ZINC000050525631 520019380 /nfs/dbraw/zinc/01/93/80/520019380.db2.gz ONLUGFCBPGKGKP-GDBMZVCRSA-N 1 0 257.381 3.520 10 0 CHAERO CCC[NH2+][C@H](C)c1c(C)nn(C[C@H](C)CCC)c1C ZINC000054718424 520064032 /nfs/dbraw/zinc/06/40/32/520064032.db2.gz DQROHIKKSXLLAX-CHWSQXEVSA-N 1 0 265.445 3.997 10 0 CHAERO CCC[NH2+][C@H](C)c1cnc(N2CCCC[C@@H]2C)s1 ZINC000054900266 520067391 /nfs/dbraw/zinc/06/73/91/520067391.db2.gz ICZZUNYWWGOTBM-NWDGAFQWSA-N 1 0 267.442 3.583 10 0 CHAERO CCC[NH2+][C@H](CC)c1c(C)nn(CC(C)C)c1C ZINC000054718985 520070026 /nfs/dbraw/zinc/07/00/26/520070026.db2.gz BGZGKGPPZUSQJP-CQSZACIVSA-N 1 0 251.418 3.607 10 0 CHAERO CC[NH2+][C@@H](C)c1sc(N(CC)CC(F)(F)F)nc1C ZINC000054906074 520081801 /nfs/dbraw/zinc/08/18/01/520081801.db2.gz QOFNBQYSUGKJSF-QMMMGPOBSA-N 1 0 295.374 3.511 10 0 CHAERO CCC[NH2+][C@H](CSC)Cc1cc(Cl)ccc1OC ZINC000054496758 520085633 /nfs/dbraw/zinc/08/56/33/520085633.db2.gz CLNCANWBTUKMQR-ZDUSSCGKSA-N 1 0 287.856 3.622 10 0 CHAERO CC[NH2+][C@@H](Cc1nc(C)cs1)c1ccc(F)cc1C ZINC000055268843 520107847 /nfs/dbraw/zinc/10/78/47/520107847.db2.gz VPQHFNMJIPGDSV-AWEZNQCLSA-N 1 0 278.396 3.792 10 0 CHAERO CC[NH2+][C@@H]1CCCCC[C@@H]1Oc1cccc(F)c1F ZINC000062613291 520117455 /nfs/dbraw/zinc/11/74/55/520117455.db2.gz ROHQSOGAJSVTCB-OLZOCXBDSA-N 1 0 269.335 3.654 10 0 CHAERO CC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000049711886 520121392 /nfs/dbraw/zinc/12/13/92/520121392.db2.gz PCGYJELXGDXVRS-GXFFZTMASA-N 1 0 287.234 3.818 10 0 CHAERO CCCCCC[C@@](C)(C[NH3+])N1Cc2ccccc2C1 ZINC000050910701 520122690 /nfs/dbraw/zinc/12/26/90/520122690.db2.gz STQICYFZPAXSKX-KRWDZBQOSA-N 1 0 260.425 3.690 10 0 CHAERO CCCCCN1C[C@H](C(C)C)[NH2+]Cc2ccccc21 ZINC000062657692 520182641 /nfs/dbraw/zinc/18/26/41/520182641.db2.gz SPINTWIZVSXCEJ-MRXNPFEDSA-N 1 0 260.425 3.811 10 0 CHAERO CCCOC1(C[NH2+]C2CC2)CCC(CCC)CC1 ZINC000050482990 520228007 /nfs/dbraw/zinc/22/80/07/520228007.db2.gz ZQBWQDRGAKGAPK-UHFFFAOYSA-N 1 0 253.430 3.894 10 0 CHAERO CCNc1cc(C[N@H+](C)C2CCC(C)CC2)ccn1 ZINC000052730293 520270561 /nfs/dbraw/zinc/27/05/61/520270561.db2.gz LYOURGOWBGUKRU-UHFFFAOYSA-N 1 0 261.413 3.524 10 0 CHAERO CCCO[C@H](C[NH2+]C(C)(C)C)c1ccc(OC)cc1 ZINC000050482678 520277958 /nfs/dbraw/zinc/27/79/58/520277958.db2.gz AYRADZDJOGQKMI-OAHLLOKOSA-N 1 0 265.397 3.551 10 0 CHAERO CCCOc1ccc([C@H]([NH3+])c2ccccc2C)cc1 ZINC000055263562 520430190 /nfs/dbraw/zinc/43/01/90/520430190.db2.gz AVMCJFFJBCKLNG-KRWDZBQOSA-N 1 0 255.361 3.832 10 0 CHAERO CCCCN(C)c1nc2c(s1)[C@H]([NH2+]CCC)CCC2 ZINC000054901501 520436904 /nfs/dbraw/zinc/43/69/04/520436904.db2.gz JCERDWHMTORAAJ-GFCCVEGCSA-N 1 0 281.469 3.756 10 0 CHAERO CCCCOCCOC1(C[NH2+]C(C)C)CCCCC1 ZINC000050496338 520785535 /nfs/dbraw/zinc/78/55/35/520785535.db2.gz IGIJVHDQYMLRHQ-UHFFFAOYSA-N 1 0 271.445 3.521 10 0 CHAERO CCCCOCC[C@H](C[NH2+]CC)Cc1ccccc1 ZINC000052952741 520796752 /nfs/dbraw/zinc/79/67/52/520796752.db2.gz VQZHFHZBBYLEDZ-KRWDZBQOSA-N 1 0 263.425 3.662 10 0 CHAERO CCCCO[C@@H](C[NH2+]C(C)C)c1ccc(OC)cc1 ZINC000050483039 520822389 /nfs/dbraw/zinc/82/23/89/520822389.db2.gz BEKJSFSICDRWCP-INIZCTEOSA-N 1 0 265.397 3.551 10 0 CHAERO CCC[C@H]([NH2+]CCOCC(F)(F)F)c1cccs1 ZINC000049544070 521156132 /nfs/dbraw/zinc/15/61/32/521156132.db2.gz LMMINMWXEJNGBL-JTQLQIEISA-N 1 0 281.343 3.758 10 0 CHAERO CCC[C@H]([NH2+]C[C@H]1CCCCO1)c1cccs1 ZINC000049543994 521161855 /nfs/dbraw/zinc/16/18/55/521161855.db2.gz XZGSOWRNUIUYSG-OLZOCXBDSA-N 1 0 253.411 3.748 10 0 CHAERO CCCC[C@H](CC)c1nnc([C@@H](CC)[NH2+]CC)o1 ZINC000061512736 521182564 /nfs/dbraw/zinc/18/25/64/521182564.db2.gz PIGJRXBAJVBJRJ-NWDGAFQWSA-N 1 0 253.390 3.814 10 0 CHAERO CCN(Cc1cccs1)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052546264 521409604 /nfs/dbraw/zinc/40/96/04/521409604.db2.gz OEWLFVBXCLFBTC-OAHLLOKOSA-N 1 0 268.470 3.593 10 0 CHAERO CCCN(C)c1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000054996393 521519511 /nfs/dbraw/zinc/51/95/11/521519511.db2.gz YGIXROSCCIGNMB-UHFFFAOYSA-N 1 0 283.485 3.785 10 0 CHAERO CCOc1ccccc1[C@H]([NH3+])CCc1ccccc1 ZINC000055240729 521589232 /nfs/dbraw/zinc/58/92/32/521589232.db2.gz DNVHYAOLFKLDRU-MRXNPFEDSA-N 1 0 255.361 3.718 10 0 CHAERO COCC[C@H](C[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC000052977759 521925629 /nfs/dbraw/zinc/92/56/29/521925629.db2.gz PBNNWQBJUUJWEM-AWEZNQCLSA-N 1 0 269.816 3.533 10 0 CHAERO CCc1ccccc1[C@H](CN)[N@H+](C)[C@@H](C)CC(C)C ZINC000052203817 521951330 /nfs/dbraw/zinc/95/13/30/521951330.db2.gz IZEVKGBRFATYJV-YOEHRIQHSA-N 1 0 262.441 3.615 10 0 CHAERO C[NH2+]CC1(O[C@@H]2C[C@H](C)CC(C)(C)C2)CCCC1 ZINC000050496748 521972841 /nfs/dbraw/zinc/97/28/41/521972841.db2.gz BCPUNRKXYNTZGJ-UONOGXRCSA-N 1 0 253.430 3.750 10 0 CHAERO C[NH2+]C[C@H](Cc1ccsc1)Cc1ccc(C)cc1 ZINC000052974373 522073858 /nfs/dbraw/zinc/07/38/58/522073858.db2.gz MXMVYOYHMBEBMJ-INIZCTEOSA-N 1 0 259.418 3.677 10 0 CHAERO C[NH2+]Cc1ccoc1CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629234 522143452 /nfs/dbraw/zinc/14/34/52/522143452.db2.gz RGJNICXRDMZEFZ-GXTWGEPZSA-N 1 0 265.397 3.730 10 0 CHAERO CC[C@H](C[NH2+]C(C)C)Oc1cccc2ccccc21 ZINC000052676147 522191352 /nfs/dbraw/zinc/19/13/52/522191352.db2.gz BGDZQXVYEMKHST-OAHLLOKOSA-N 1 0 257.377 3.995 10 0 CHAERO CC[C@H](C[NH2+]CC(C)C)N(CC)Cc1ccccc1 ZINC000052443722 522195089 /nfs/dbraw/zinc/19/50/89/522195089.db2.gz MHNWEDHRDIWGGC-QGZVFWFLSA-N 1 0 262.441 3.533 10 0 CHAERO COC[C@@H](C)C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000155449657 522205150 /nfs/dbraw/zinc/20/51/50/522205150.db2.gz KHMWGEQSAZIRME-HOCLYGCPSA-N 1 0 289.419 3.695 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2cc(OC)ccc2Cl)o1 ZINC000052924609 522330199 /nfs/dbraw/zinc/33/01/99/522330199.db2.gz WCWOIOLQWBMHCJ-VIFPVBQESA-N 1 0 265.740 3.889 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccccc2COC)s1 ZINC000049511087 522330698 /nfs/dbraw/zinc/33/06/98/522330698.db2.gz HUMUHVGTRVFFID-NSHDSACASA-N 1 0 261.390 3.842 10 0 CHAERO C[NH2+][C@@H](Cc1cc(F)cc(F)c1)c1cccs1 ZINC000049348984 522359911 /nfs/dbraw/zinc/35/99/11/522359911.db2.gz LGPBPVZHMVBHGC-LBPRGKRZSA-N 1 0 253.317 3.530 10 0 CHAERO C[NH2+][C@@H](Cc1ccsc1)Cc1ccc(F)cc1Cl ZINC000062608107 522362191 /nfs/dbraw/zinc/36/21/91/522362191.db2.gz FIXWUIYFIWHPMZ-ZDUSSCGKSA-N 1 0 283.799 3.914 10 0 CHAERO C[NH2+][C@@H]1CCCCC[C@@H]1OCCCc1ccccc1 ZINC000045627526 522378175 /nfs/dbraw/zinc/37/81/75/522378175.db2.gz AJMSZKBZZARRCY-SJORKVTESA-N 1 0 261.409 3.557 10 0 CHAERO CCc1nc([C@@H]([NH2+]C)c2ccc(F)c(C)c2)sc1C ZINC000050559390 522424864 /nfs/dbraw/zinc/42/48/64/522424864.db2.gz LCMXSBHZEDFYBI-AWEZNQCLSA-N 1 0 278.396 3.770 10 0 CHAERO C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(Cl)c1 ZINC000061698932 522448688 /nfs/dbraw/zinc/44/86/88/522448688.db2.gz KGXUZPSVXIHLTD-YPMHNXCESA-N 1 0 283.799 3.568 10 0 CHAERO C[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@@H]1CCCOC1 ZINC000062231007 522481064 /nfs/dbraw/zinc/48/10/64/522481064.db2.gz GMUSQMNGSNZBCH-IAGOWNOFSA-N 1 0 261.409 3.572 10 0 CHAERO CCc1[nH+]c2cc(N)ccc2n1[C@H]1CCC[C@H](C)C1 ZINC000052852526 522490746 /nfs/dbraw/zinc/49/07/46/522490746.db2.gz RPFDRMCQJKVCEE-AAEUAGOBSA-N 1 0 257.381 3.932 10 0 CHAERO CC[C@@H](C[NH2+]C(C)(C)C)N(CC)c1ccccc1F ZINC000052512824 522543287 /nfs/dbraw/zinc/54/32/87/522543287.db2.gz XAWCENGXZMKSSK-ZDUSSCGKSA-N 1 0 266.404 3.819 10 0 CHAERO CC[C@@H](C[NH2+]C(C)C)Oc1cccc2ccccc21 ZINC000052676144 522545843 /nfs/dbraw/zinc/54/58/43/522545843.db2.gz BGDZQXVYEMKHST-HNNXBMFYSA-N 1 0 257.377 3.995 10 0 CHAERO C[N@H+](CC(C)(C)C)[C@H](CN)c1csc2ccccc21 ZINC000054464544 522547313 /nfs/dbraw/zinc/54/73/13/522547313.db2.gz UWYFCUYVLHJUQC-CQSZACIVSA-N 1 0 276.449 3.879 10 0 CHAERO CC[C@@H](N)[C@H](c1sccc1C)[NH+]1CCC(C)(C)CC1 ZINC000061818484 522656183 /nfs/dbraw/zinc/65/61/83/522656183.db2.gz VSDBSRNBNWPCMY-ZIAGYGMSSA-N 1 0 280.481 3.957 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccccc1OC ZINC000157794299 522760419 /nfs/dbraw/zinc/76/04/19/522760419.db2.gz FUNCSXQWQSDWHL-ZVZYQTTQSA-N 1 0 289.419 3.694 10 0 CHAERO CC[C@@H]([NH2+]C[C@H](O)c1cccs1)c1cccs1 ZINC000049530474 522863134 /nfs/dbraw/zinc/86/31/34/522863134.db2.gz JUGQVXKNUSQLHG-MNOVXSKESA-N 1 0 267.419 3.584 10 0 CHAERO CC[C@H]1CSC(N[C@H](C)c2ccc(Cl)cc2)=[NH+]1 ZINC000049526545 523355623 /nfs/dbraw/zinc/35/56/23/523355623.db2.gz CNIFKKBLLZRVFE-SKDRFNHKSA-N 1 0 268.813 3.872 10 0 CHAERO CC[C@](C[NH3+])(Cc1ccc(C)cc1)c1ccccc1 ZINC000054636728 523525101 /nfs/dbraw/zinc/52/51/01/523525101.db2.gz YAGHKUCFAPKHBA-GOSISDBHSA-N 1 0 253.389 3.844 10 0 CHAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)c2ccccc21 ZINC000149294943 523712013 /nfs/dbraw/zinc/71/20/13/523712013.db2.gz MXFUEPUHVLZVFX-HIFRSBDPSA-N 1 0 286.419 3.653 10 0 CHAERO C[N@@H+]1CCCC[C@@H]1CCNc1cccc(Cl)c1 ZINC000052205304 523793580 /nfs/dbraw/zinc/79/35/80/523793580.db2.gz HELXJEVIQXXNGV-CQSZACIVSA-N 1 0 252.789 3.626 10 0 CHAERO CC[C@H](C)C[NH2+]C[C@@H](O)c1ccc(CC(C)C)cc1 ZINC000054471221 523883997 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ZINC000055265541 524211899 /nfs/dbraw/zinc/21/18/99/524211899.db2.gz AWRBZOXLELKEGH-LBPRGKRZSA-N 1 0 260.406 3.798 10 0 CHAERO Cc1cccc(CN2C[C@H](C)[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000062671205 524410916 /nfs/dbraw/zinc/41/09/16/524410916.db2.gz FWEJBGRPAJPAPH-QFBILLFUSA-N 1 0 280.415 3.530 10 0 CHAERO C[C@@H]1CCC[C@]([NH3+])(Cc2c(F)cccc2Cl)C1 ZINC000049346410 524432202 /nfs/dbraw/zinc/43/22/02/524432202.db2.gz NAUPBKJRNJRIDC-QMTHXVAHSA-N 1 0 255.764 3.929 10 0 CHAERO COc1ccccc1C[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052972701 524502979 /nfs/dbraw/zinc/50/29/79/524502979.db2.gz AUNBAFPOZIETMO-HNNXBMFYSA-N 1 0 263.425 3.898 10 0 CHAERO Cc1ccc(Cl)c(O[C@H](C)C[NH2+]C(C)(C)C)c1 ZINC000052697283 524717208 /nfs/dbraw/zinc/71/72/08/524717208.db2.gz AWESCXXLWMJOBU-LLVKDONJSA-N 1 0 255.789 3.804 10 0 CHAERO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000020096987 524724574 /nfs/dbraw/zinc/72/45/74/524724574.db2.gz LVSVTFKKOZJCNO-CZUORRHYSA-N 1 0 283.371 3.870 10 0 CHAERO C[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCc1ccco1 ZINC000062169745 524729051 /nfs/dbraw/zinc/72/90/51/524729051.db2.gz GTHYXPNEHIDWRS-LSDHHAIUSA-N 1 0 257.377 3.822 10 0 CHAERO C[C@@H](C[NH2+]C(C)(C)C)Oc1ccc2ccccc2c1 ZINC000052677363 524733143 /nfs/dbraw/zinc/73/31/43/524733143.db2.gz YOPYSYMYJBJJJY-ZDUSSCGKSA-N 1 0 257.377 3.995 10 0 CHAERO C[C@H](Cc1ccsc1)[NH2+]Cc1c(F)cccc1F ZINC000049154148 524761530 /nfs/dbraw/zinc/76/15/30/524761530.db2.gz KBAUXGOVTBIKBX-SNVBAGLBSA-N 1 0 267.344 3.747 10 0 CHAERO COc1ccccc1[C@H](C[NH2+]C(C)C)OC(C)(C)C ZINC000050484100 524792336 /nfs/dbraw/zinc/79/23/36/524792336.db2.gz MUCFVZFHGDPIGW-HNNXBMFYSA-N 1 0 265.397 3.549 10 0 CHAERO Cc1cc(Cl)ccc1O[C@@H](C)C[NH2+]C(C)(C)C ZINC000052677623 524909003 /nfs/dbraw/zinc/90/90/03/524909003.db2.gz WCXZMFYUQGHWMJ-NSHDSACASA-N 1 0 255.789 3.804 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccccc3)CC2)nc1 ZINC000163468219 524943689 /nfs/dbraw/zinc/94/36/89/524943689.db2.gz BZRVTXFFFXOWSH-MRXNPFEDSA-N 1 0 295.430 3.710 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3)CC2)nc1 ZINC000163468094 524943796 /nfs/dbraw/zinc/94/37/96/524943796.db2.gz BZRVTXFFFXOWSH-INIZCTEOSA-N 1 0 295.430 3.710 10 0 CHAERO C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C(C)(C)C[NH2+]1 ZINC000062673237 524993534 /nfs/dbraw/zinc/99/35/34/524993534.db2.gz JQPPBTLKMFPMRT-SNVBAGLBSA-N 1 0 287.234 3.566 10 0 CHAERO C[C@@H]([NH3+])c1cnc(Cc2ccc(F)cc2Cl)s1 ZINC000062608551 525032408 /nfs/dbraw/zinc/03/24/08/525032408.db2.gz QPVNIJNSOFZOPX-SSDOTTSWSA-N 1 0 270.760 3.546 10 0 CHAERO Cc1cc(N)c[nH+]c1N[C@H](C)c1cccc(Cl)c1 ZINC000052813164 525040658 /nfs/dbraw/zinc/04/06/58/525040658.db2.gz FKYQZKBJNGTCOI-SNVBAGLBSA-N 1 0 261.756 3.799 10 0 CHAERO C[C@]([NH3+])(C[C@@H]1CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000053759803 525149113 /nfs/dbraw/zinc/14/91/13/525149113.db2.gz SPAPYZCQFGAZDG-SDBXPKJASA-N 1 0 292.181 3.876 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cc1 ZINC000120422287 525160434 /nfs/dbraw/zinc/16/04/34/525160434.db2.gz OCSLBUJUMZWSSH-BEFAXECRSA-N 1 0 298.430 3.649 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]CC1(C)COC1)c1ccccc1 ZINC000094721677 525372553 /nfs/dbraw/zinc/37/25/53/525372553.db2.gz KPZZVNRFKBBPLQ-SFHVURJKSA-N 1 0 281.399 3.711 10 0 CHAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000280970511 525428116 /nfs/dbraw/zinc/42/81/16/525428116.db2.gz HSOYJROYRNEQHJ-IJLUTSLNSA-N 1 0 283.362 3.819 10 0 CHAERO C[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000129436805 525431105 /nfs/dbraw/zinc/43/11/05/525431105.db2.gz XHJOZBZYELMWLV-ZANVPECISA-N 1 0 291.288 3.502 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000248744825 525525523 /nfs/dbraw/zinc/52/55/23/525525523.db2.gz CUEXPFRCJCIZFS-LPEHRKFASA-N 1 0 259.802 3.620 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)[C@@H]1CCCO1 ZINC000087816155 525564027 /nfs/dbraw/zinc/56/40/27/525564027.db2.gz MZFXZUVVDZXBFR-VUCTXSBTSA-N 1 0 284.403 3.702 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccsc1 ZINC000050342291 525577578 /nfs/dbraw/zinc/57/75/78/525577578.db2.gz KZHQPDUUOLHGFX-SMDDNHRTSA-N 1 0 259.374 3.923 10 0 CHAERO C[C@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)c1ncc[nH]1 ZINC000138899186 525638485 /nfs/dbraw/zinc/63/84/85/525638485.db2.gz JBXZGPOTZCBRQB-WFASDCNBSA-N 1 0 269.392 3.774 10 0 CHAERO Cc1ccc([C@@H](C)[N@@H+]2Cc3ccc(N)cc3C2)s1 ZINC000049185847 525691451 /nfs/dbraw/zinc/69/14/51/525691451.db2.gz SZQGAQYOYJRRBZ-LLVKDONJSA-N 1 0 258.390 3.716 10 0 CHAERO Cc1ccc([C@@H](C)N2Cc3ccccc3C2=[NH2+])s1 ZINC000049184049 525691676 /nfs/dbraw/zinc/69/16/76/525691676.db2.gz FJPPFNXQHMDQEZ-LLVKDONJSA-N 1 0 256.374 3.959 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cncc(F)c1 ZINC000119137862 525693082 /nfs/dbraw/zinc/69/30/82/525693082.db2.gz QPXHQZMUMZADBX-BZNIZROVSA-N 1 0 256.324 3.559 10 0 CHAERO COc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000157806443 525937840 /nfs/dbraw/zinc/93/78/40/525937840.db2.gz DTIBOBZZJIHBIB-CQSZACIVSA-N 1 0 288.416 3.531 10 0 CHAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000089162833 525990119 /nfs/dbraw/zinc/99/01/19/525990119.db2.gz GEFDXDUSBSWMJL-GUTXKFCHSA-N 1 0 273.376 3.553 10 0 CHAERO CSc1ccc(C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000054685281 526010098 /nfs/dbraw/zinc/01/00/98/526010098.db2.gz OGZGZSQBICQVPX-HNNXBMFYSA-N 1 0 257.402 3.521 10 0 CHAERO C[C@@H](c1ccccc1)N1C[C@@H](C)[NH2+]C[C@H]1c1ccccc1 ZINC000062671207 526095256 /nfs/dbraw/zinc/09/52/56/526095256.db2.gz WOVNUXXLHQIKTL-GJYPPUQNSA-N 1 0 280.415 3.783 10 0 CHAERO C[C@@H](c1nc(-c2cccs2)no1)[C@H]([NH3+])c1ccccc1 ZINC000157947735 526164172 /nfs/dbraw/zinc/16/41/72/526164172.db2.gz DQJCONKCPQHIAK-MFKMUULPSA-N 1 0 285.372 3.602 10 0 CHAERO C[C@H](c1nc(-c2ccsc2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000157948790 526172160 /nfs/dbraw/zinc/17/21/60/526172160.db2.gz WMRDJXZEWCGKEQ-GXFFZTMASA-N 1 0 285.372 3.602 10 0 CHAERO Cc1cc(Br)ccc1NCC1CC[NH+](C)CC1 ZINC000054239622 526173046 /nfs/dbraw/zinc/17/30/46/526173046.db2.gz JHPHYLWRFNVUAD-UHFFFAOYSA-N 1 0 297.240 3.511 10 0 CHAERO C[C@H]1CCCC[C@@]1([NH3+])Cc1c(F)cccc1Cl ZINC000049346446 526259725 /nfs/dbraw/zinc/25/97/25/526259725.db2.gz RBYKDTMKTGGJFS-IINYFYTJSA-N 1 0 255.764 3.929 10 0 CHAERO FC1(F)CC([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000290267608 526274608 /nfs/dbraw/zinc/27/46/08/526274608.db2.gz LDXYPICSNOTLAE-AWEZNQCLSA-N 1 0 276.330 3.933 10 0 CHAERO Cc1nn(CCC(C)(C)C)c(C)c1C[NH2+]C(C)(C)C ZINC000054717542 526278889 /nfs/dbraw/zinc/27/88/89/526278889.db2.gz UYFYSWHYTHLDNO-UHFFFAOYSA-N 1 0 265.445 3.824 10 0 CHAERO Fc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000157016227 526333395 /nfs/dbraw/zinc/33/33/95/526333395.db2.gz AZLVPUVKDIXEGK-ZDUSSCGKSA-N 1 0 276.380 3.662 10 0 CHAERO Cc1n[nH]cc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000126156054 526556134 /nfs/dbraw/zinc/55/61/34/526556134.db2.gz QEJSRUHQBSUGLG-MRXNPFEDSA-N 1 0 269.392 3.521 10 0 CHAERO Cc1nc(-c2c(F)cccc2Cl)sc1[C@@H](C)[NH3+] ZINC000052903449 526558999 /nfs/dbraw/zinc/55/89/99/526558999.db2.gz KNRYKPHBGVAJKS-ZCFIWIBFSA-N 1 0 270.760 3.931 10 0 CHAERO Cc1nc(C2CCCC2)sc1C[NH2+]CC(C)C ZINC000052331183 526776331 /nfs/dbraw/zinc/77/63/31/526776331.db2.gz GATNPOJNZONYMO-UHFFFAOYSA-N 1 0 252.427 3.855 10 0 CHAERO Cc1nc(CCc2ccccc2)sc1C[NH2+]CC(C)C ZINC000052331335 526831816 /nfs/dbraw/zinc/83/18/16/526831816.db2.gz CTNMUQLMDCPDKA-UHFFFAOYSA-N 1 0 288.460 3.982 10 0 CHAERO Cc1nc(N2CCCc3ccccc32)sc1[C@@H](C)[NH3+] ZINC000054863961 526967129 /nfs/dbraw/zinc/96/71/29/526967129.db2.gz ZNBXHKBDNGXRDI-SNVBAGLBSA-N 1 0 273.405 3.556 10 0 CHAERO O=C1CCCCC[C@@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000061818674 526971003 /nfs/dbraw/zinc/97/10/03/526971003.db2.gz DKLLHZJJDLVUEQ-HNNXBMFYSA-N 1 0 263.425 3.935 10 0 CHAERO NC(=S)C[C@@H](c1ccccc1)[NH+]1CCCCCCC1 ZINC000055024561 527108367 /nfs/dbraw/zinc/10/83/67/527108367.db2.gz SWDZKLZNIAJLDP-HNNXBMFYSA-N 1 0 276.449 3.670 10 0 CHAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)c1ccccc1 ZINC000052841964 527124084 /nfs/dbraw/zinc/12/40/84/527124084.db2.gz KKSYDAZXUJQKGX-NSHDSACASA-N 1 0 251.333 3.536 10 0 CHAERO [NH3+]CC1(Cc2ccc(Br)cc2)CCCC1 ZINC000054635663 527162988 /nfs/dbraw/zinc/16/29/88/527162988.db2.gz CXSFWFJKBJMBHZ-UHFFFAOYSA-N 1 0 268.198 3.511 10 0 CHAERO [NH3+]CC1(Cc2ccc(Br)s2)CCCC1 ZINC000054635623 527163750 /nfs/dbraw/zinc/16/37/50/527163750.db2.gz FCGNIAGOUGTQLX-UHFFFAOYSA-N 1 0 274.227 3.572 10 0 CHAERO Cc1nc[nH]c1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000054796130 527214517 /nfs/dbraw/zinc/21/45/17/527214517.db2.gz JVHWCBVROCLWOD-HNNXBMFYSA-N 1 0 275.421 3.801 10 0 CHAERO [NH3+]Cc1ccc(Cl)cc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000062786861 527252677 /nfs/dbraw/zinc/25/26/77/527252677.db2.gz YURYBQYFXSQFEA-WFASDCNBSA-N 1 0 278.827 3.958 10 0 CHAERO [NH3+][C@@H]1CCCc2nc(-c3cccc(Cl)c3F)sc21 ZINC000062606467 527361694 /nfs/dbraw/zinc/36/16/94/527361694.db2.gz AZGDIVBIVRXLTR-SECBINFHSA-N 1 0 282.771 3.939 10 0 CHAERO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1ccoc1 ZINC000050518610 527388771 /nfs/dbraw/zinc/38/87/71/527388771.db2.gz HFQVZCFIIFRENL-GFCCVEGCSA-N 1 0 255.239 3.541 10 0 CHAERO [NH3+][C@H](c1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000062792306 527390585 /nfs/dbraw/zinc/39/05/85/527390585.db2.gz NGQAFOGXLAZCSA-CYBMUJFWSA-N 1 0 271.669 3.805 10 0 CHAERO [NH3+][C@H](c1cccs1)c1cccc(OC(F)(F)F)c1 ZINC000061703481 527392267 /nfs/dbraw/zinc/39/22/67/527392267.db2.gz HEZAOTGKIZQERB-NSHDSACASA-N 1 0 273.279 3.695 10 0 CHAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000237899852 527407272 /nfs/dbraw/zinc/40/72/72/527407272.db2.gz MGFVUUHUAQDQKC-SJORKVTESA-N 1 0 296.370 3.545 10 0 CHAERO Cc1ncsc1CC[C@@H](C[NH3+])Cc1ccccc1Cl ZINC000052948563 527493459 /nfs/dbraw/zinc/49/34/59/527493459.db2.gz YFIVNPMCSFIGHV-GFCCVEGCSA-N 1 0 294.851 3.855 10 0 CHAERO Cc1ncsc1CC[C@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000052947605 527493749 /nfs/dbraw/zinc/49/37/49/527493749.db2.gz HGFNOGLWMBIADZ-ZDUSSCGKSA-N 1 0 294.851 3.855 10 0 CHAERO FC(F)(F)c1cccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070305 527685147 /nfs/dbraw/zinc/68/51/47/527685147.db2.gz RHDOZYMZAAQZMF-CQSZACIVSA-N 1 0 293.288 3.929 10 0 CHAERO FC(F)(F)c1ccccc1[C@H]1C[C@H]1C[NH2+]C1CC1 ZINC000054595845 527687865 /nfs/dbraw/zinc/68/78/65/527687865.db2.gz KIIPRDFBYYTPLS-CABZTGNLSA-N 1 0 255.283 3.561 10 0 CHAERO CC(C)c1ccc(N2C[C@H](C)[NH2+]C[C@H]2C(C)C)cc1 ZINC000083441788 535372441 /nfs/dbraw/zinc/37/24/41/535372441.db2.gz QNKVELMHSZPQGC-YOEHRIQHSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(C(C)(C)C)cc1 ZINC000083441518 536169963 /nfs/dbraw/zinc/16/99/63/536169963.db2.gz KLFKLYWNWOMNHG-HIFRSBDPSA-N 1 0 260.425 3.561 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1N1CCc2sccc2C1 ZINC000034838235 536406403 /nfs/dbraw/zinc/40/64/03/536406403.db2.gz JPCNOZMRSFUYHX-GFCCVEGCSA-N 1 0 272.417 3.591 10 0 CHAERO CC[N@@H+](Cc1cc(N)ccc1Br)CC(C)C ZINC000149896255 566906143 /nfs/dbraw/zinc/90/61/43/566906143.db2.gz RFAIYUVENBCFGZ-UHFFFAOYSA-N 1 0 285.229 3.509 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(N)ccc1Br ZINC000128393334 567034924 /nfs/dbraw/zinc/03/49/24/567034924.db2.gz BHDGEMDZBJDLGD-WDEREUQCSA-N 1 0 297.240 3.652 10 0 CHAERO CC[C@]1([NH+]2CCCC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952375 567209608 /nfs/dbraw/zinc/20/96/08/567209608.db2.gz ILOBRBGPPGSCAR-KRWDZBQOSA-N 1 0 296.455 3.652 10 0 CHAERO COCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013722526 567867543 /nfs/dbraw/zinc/86/75/43/567867543.db2.gz OSEWVCZDJUXXJY-UHFFFAOYSA-N 1 0 279.767 3.726 10 0 CHAERO CC(C)C[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730341 567890884 /nfs/dbraw/zinc/89/08/84/567890884.db2.gz BIELOMQSLLLYEG-UHFFFAOYSA-N 1 0 255.789 3.873 10 0 CHAERO CCCn1nc(C[NH2+]C2CCCCC2)c(-c2ccccc2)n1 ZINC000057353301 567894862 /nfs/dbraw/zinc/89/48/62/567894862.db2.gz MYHZEHGWCDCWJS-UHFFFAOYSA-N 1 0 298.434 3.777 10 0 CHAERO CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1C ZINC000033442620 570316118 /nfs/dbraw/zinc/31/61/18/570316118.db2.gz PNVRPQXLLSJLOJ-UHFFFAOYSA-N 1 0 285.387 3.692 10 0 CHAERO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C4CCC4)C3)nc2c1 ZINC000194746543 1125557402 /nfs/dbraw/zinc/55/74/02/1125557402.db2.gz WXDFSNLZOKOIGH-ZDUSSCGKSA-N 1 0 269.392 3.603 10 0 CHAERO Cc1cc(N2CCC[C@@H](n3cccn3)C2)c2ccccc2[nH+]1 ZINC000301206954 1123880598 /nfs/dbraw/zinc/88/05/98/1123880598.db2.gz ZSHMYDYAZJQVDK-OAHLLOKOSA-N 1 0 292.386 3.581 10 0 CHAERO O[C@H]1CC[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000100453803 230392034 /nfs/dbraw/zinc/39/20/34/230392034.db2.gz RWMDJQJCEISWRT-BGYRXZFFSA-N 1 0 295.426 3.992 10 0 CHAERO CCc1nc(-c2ccc(CC)cc2)sc1C[NH2+]C ZINC000082424633 177999512 /nfs/dbraw/zinc/99/95/12/177999512.db2.gz PFVYCFXPXPZLCE-UHFFFAOYSA-N 1 0 260.406 3.654 10 0 CHAERO CCCc1nc(-c2ccc(C)cc2)sc1C[NH2+]C ZINC000082427114 178002838 /nfs/dbraw/zinc/00/28/38/178002838.db2.gz KAUNTUHZOIGZLF-UHFFFAOYSA-N 1 0 260.406 3.790 10 0 CHAERO CCCc1nc(-c2ccc(CC)cc2)sc1C[NH3+] ZINC000082428471 178004476 /nfs/dbraw/zinc/00/44/76/178004476.db2.gz NLNZDDZJQGZXNR-UHFFFAOYSA-N 1 0 260.406 3.784 10 0 CHAERO C[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C(C)C ZINC000082429709 178007475 /nfs/dbraw/zinc/00/74/75/178007475.db2.gz SYZNJDIBUKRVGS-UHFFFAOYSA-N 1 0 260.406 3.961 10 0 CHAERO C[NH2+]Cc1sc(CSC(C)C)nc1C(C)C ZINC000082430187 178008502 /nfs/dbraw/zinc/00/85/02/178008502.db2.gz USWMGMSPSSHDJM-UHFFFAOYSA-N 1 0 258.456 3.628 10 0 CHAERO C[NH2+]Cc1sc(-c2cccc(OC)c2)nc1C(C)C ZINC000082431084 178008684 /nfs/dbraw/zinc/00/86/84/178008684.db2.gz KTMBPKXIGNHCTF-UHFFFAOYSA-N 1 0 276.405 3.662 10 0 CHAERO CC(C)C[NH2+]Cc1sc(N2CCCC2)nc1C(C)C ZINC000082434743 178011580 /nfs/dbraw/zinc/01/15/80/178011580.db2.gz VVSMOJUURGZSCG-UHFFFAOYSA-N 1 0 281.469 3.612 10 0 CHAERO C[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C1CC1 ZINC000082435561 178012880 /nfs/dbraw/zinc/01/28/80/178012880.db2.gz NFNPYGWLQZNFTK-UHFFFAOYSA-N 1 0 258.390 3.715 10 0 CHAERO C[NH2+]Cc1sc(-c2ccccc2OC)nc1C(C)(C)C ZINC000082440403 178018489 /nfs/dbraw/zinc/01/84/89/178018489.db2.gz FLGBDWVXRKGHSA-UHFFFAOYSA-N 1 0 290.432 3.836 10 0 CHAERO CC[NH2+][C@H]1CC(CC)(CC)Oc2ccc(F)cc21 ZINC000082508379 178073811 /nfs/dbraw/zinc/07/38/11/178073811.db2.gz YQJQJYSLEOPAHQ-ZDUSSCGKSA-N 1 0 251.345 3.818 10 0 CHAERO C[NH2+]CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095751134 185025896 /nfs/dbraw/zinc/02/58/96/185025896.db2.gz BUTOLHWWKQGMGF-UHFFFAOYSA-N 1 0 285.231 3.876 10 0 CHAERO CC(=O)[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000095764184 185027475 /nfs/dbraw/zinc/02/74/75/185027475.db2.gz HPIOOTFKTKCKLG-RBUKOAKNSA-N 1 0 279.383 3.839 10 0 CHAERO COc1ccc(F)cc1-c1cc([C@@H](C)[NH3+])ccc1F ZINC000082707351 178215780 /nfs/dbraw/zinc/21/57/80/178215780.db2.gz ZACWZGRMROFMTM-SECBINFHSA-N 1 0 263.287 3.660 10 0 CHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccccc2OC)c1 ZINC000082709752 178220070 /nfs/dbraw/zinc/22/00/70/178220070.db2.gz FPPYWECZMKKLGL-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO Cc1ccc(Br)cc1[C@H]([NH3+])C1CCCC1 ZINC000083256155 178371691 /nfs/dbraw/zinc/37/16/91/178371691.db2.gz DKXJCDVIYZDCMQ-CYBMUJFWSA-N 1 0 268.198 3.948 10 0 CHAERO Cc1ccc(F)cc1C[C@H]1[NH2+]CCc2ccccc21 ZINC000083695539 178694619 /nfs/dbraw/zinc/69/46/19/178694619.db2.gz RZTLOHYMIYINMA-QGZVFWFLSA-N 1 0 255.336 3.564 10 0 CHAERO CCC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000040502442 260285289 /nfs/dbraw/zinc/28/52/89/260285289.db2.gz MWAOEJKESMXXMS-IAGOWNOFSA-N 1 0 260.425 3.602 10 0 CHAERO CCC[C@@](C)(C[NH2+]C)CN(CC)c1ccccc1C ZINC000104004323 185879998 /nfs/dbraw/zinc/87/99/98/185879998.db2.gz BEKDQLZRPPXDQJ-KRWDZBQOSA-N 1 0 262.441 3.847 10 0 CHAERO CC[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@H]1CCOC1 ZINC000104105407 185896279 /nfs/dbraw/zinc/89/62/79/185896279.db2.gz TXLRHPQSAAHSSI-IINYFYTJSA-N 1 0 288.218 3.551 10 0 CHAERO CC[NH2+][C@H](Cc1ccsc1)c1ccc2c(c1)COC2 ZINC000104210981 185933133 /nfs/dbraw/zinc/93/31/33/185933133.db2.gz FVFWCQNKLCUQGF-MRXNPFEDSA-N 1 0 273.401 3.672 10 0 CHAERO [NH3+]Cc1ccc(OCc2csc3ccccc23)cc1 ZINC000104218854 185934685 /nfs/dbraw/zinc/93/46/85/185934685.db2.gz HSTBHZPBXBSRGO-UHFFFAOYSA-N 1 0 269.369 3.939 10 0 CHAERO Brc1cccc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000104246928 185943138 /nfs/dbraw/zinc/94/31/38/185943138.db2.gz LZGSDPKVVXFXGW-IACUBPJLSA-N 1 0 294.236 3.975 10 0 CHAERO C[C@@H]1CCC[C@@H](N(C)c2cccc(Cl)c2CC[NH3+])C1 ZINC000104258221 185945818 /nfs/dbraw/zinc/94/58/18/185945818.db2.gz BGMRCNMLSKKWMJ-CHWSQXEVSA-N 1 0 280.843 3.856 10 0 CHAERO C[NH2+]Cc1ccc(Sc2nc3ccccc3o2)cc1 ZINC000104295785 185957698 /nfs/dbraw/zinc/95/76/98/185957698.db2.gz UBJDELMHXBMJTB-UHFFFAOYSA-N 1 0 270.357 3.698 10 0 CHAERO CC(C)CSc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000104299953 185959573 /nfs/dbraw/zinc/95/95/73/185959573.db2.gz WTNBNGWGZKIHGD-VIFPVBQESA-N 1 0 259.365 3.603 10 0 CHAERO C[C@H]1CCC[C@](C[NH3+])(Nc2nc3ccccc3s2)C1 ZINC000104306924 185961637 /nfs/dbraw/zinc/96/16/37/185961637.db2.gz NSODXZPQYJYGRC-NHYWBVRUSA-N 1 0 275.421 3.616 10 0 CHAERO C[C@H](C[N@@H+]1CCC[C@H](C)CC1)C(=O)c1ccccc1 ZINC000104360905 185983647 /nfs/dbraw/zinc/98/36/47/185983647.db2.gz LTBNDAXFJNDPPE-LSDHHAIUSA-N 1 0 259.393 3.627 10 0 CHAERO C[NH2+][C@H](Cc1cc(C)ccc1C)c1cc(C)ccn1 ZINC000104415695 185994105 /nfs/dbraw/zinc/99/41/05/185994105.db2.gz QZQZNXQLLGINLO-MRXNPFEDSA-N 1 0 254.377 3.510 10 0 CHAERO CC[NH2+][C@@H](C)c1cc(F)ccc1SCCCOC ZINC000104438319 186002470 /nfs/dbraw/zinc/00/24/70/186002470.db2.gz NFEVBDRGUQBEOP-NSHDSACASA-N 1 0 271.401 3.625 10 0 CHAERO COc1cc(C)c(CCC[NH2+]C(C)C)cc1Cl ZINC000107296144 186167869 /nfs/dbraw/zinc/16/78/69/186167869.db2.gz HVYBHWYXAKOJIL-UHFFFAOYSA-N 1 0 255.789 3.588 10 0 CHAERO CC[NH2+]C[C@@]1(Cc2cccc(F)c2)C[C@H]2CC[C@@H]1C2 ZINC000110195512 186287710 /nfs/dbraw/zinc/28/77/10/186287710.db2.gz SLKJOUCWXVPHJC-ZMSDIMECSA-N 1 0 261.384 3.784 10 0 CHAERO C[C@H]([NH3+])c1ccccc1N1c2ccccc2C[C@@H]1C ZINC000019872319 184534988 /nfs/dbraw/zinc/53/49/88/184534988.db2.gz JBYYOYPXRATFHI-STQMWFEESA-N 1 0 252.361 3.789 10 0 CHAERO CCC(CC)CN(CC)C(=[NH2+])NC1CCCCC1 ZINC000052045912 184566952 /nfs/dbraw/zinc/56/69/52/184566952.db2.gz UHEWBHDQGGVJTP-UHFFFAOYSA-N 1 0 253.434 3.602 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccccc1Cl ZINC000083493794 135024729 /nfs/dbraw/zinc/02/47/29/135024729.db2.gz RYWSKZXZVQJKGD-GXTWGEPZSA-N 1 0 266.816 3.553 10 0 CHAERO CC(C)[C@@H]1CN(c2ccc3ccccc3c2)[C@H](C)C[NH2+]1 ZINC000083511064 135025204 /nfs/dbraw/zinc/02/52/04/135025204.db2.gz BSPFIUMWGCMBLL-KDOFPFPSSA-N 1 0 268.404 3.663 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1cccc(Cl)c1Cl ZINC000083536507 135027839 /nfs/dbraw/zinc/02/78/39/135027839.db2.gz VHXMJCYADPORDS-VHSXEESVSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cccc(Cl)c1Cl ZINC000083536501 135027881 /nfs/dbraw/zinc/02/78/81/135027881.db2.gz VHXMJCYADPORDS-NXEZZACHSA-N 1 0 273.207 3.570 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)CCc3ccccc3)C2)c1 ZINC000171529387 335069067 /nfs/dbraw/zinc/06/90/67/335069067.db2.gz AOJGTKKHWJOZMR-PKOBYXMFSA-N 1 0 297.446 3.850 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)n1nc(C)c(Cl)c1C ZINC000050586257 522650907 /nfs/dbraw/zinc/65/09/07/522650907.db2.gz XUERPDASLZGCSI-YPMHNXCESA-N 1 0 297.855 3.850 10 0 CHAERO C[NH+](C)CCc1cn(-c2ccccc2)c2ccccc12 ZINC000001851675 169760133 /nfs/dbraw/zinc/76/01/33/169760133.db2.gz NCRAHYGLLDWEAM-UHFFFAOYSA-N 1 0 264.372 3.735 10 0 CHAERO O=C1Cc2ccccc2C(=C2CC[NH2+]CC2)c2ccsc21 ZINC000005517457 170107099 /nfs/dbraw/zinc/10/70/99/170107099.db2.gz IYSYPCSSDZBWHN-UHFFFAOYSA-N 1 0 295.407 3.672 10 0 world CHAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1CCCCC1 ZINC000005518805 170107512 /nfs/dbraw/zinc/10/75/12/170107512.db2.gz AWMDIVXJBYVNJH-UHFFFAOYSA-N 1 0 280.799 3.509 10 0 CHAERO Cc1ccc([C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000005617799 170120615 /nfs/dbraw/zinc/12/06/15/170120615.db2.gz UFUZUKRLAOEYBT-GOSISDBHSA-N 1 0 251.373 3.985 10 0 CHAERO CCCC[NH+]1CCC(OCC)(c2ccccc2)CC1 ZINC000005821256 170143916 /nfs/dbraw/zinc/14/39/16/170143916.db2.gz NPCNSQSUDBOYEL-UHFFFAOYSA-N 1 0 261.409 3.814 10 0 CHAERO O[C@@]1(c2ccc(C(F)(F)F)cc2)CC[N@@H+]2CCCC[C@H]2C1 ZINC000006093238 170175510 /nfs/dbraw/zinc/17/55/10/170175510.db2.gz SEWOUMHWEWDIHT-GJZGRUSLSA-N 1 0 299.336 3.541 10 0 CHAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000007043338 170263904 /nfs/dbraw/zinc/26/39/04/170263904.db2.gz OLSHFYHTAZPHDY-AWEZNQCLSA-N 1 0 274.408 3.634 10 0 CHAERO Cc1cccc([C@H](C[NH3+])Cc2ccccc2Cl)c1 ZINC000011588203 170423300 /nfs/dbraw/zinc/42/33/00/170423300.db2.gz LGNURTKQPJYGJS-HNNXBMFYSA-N 1 0 259.780 3.933 10 0 CHAERO CCc1ccc([C@@H]([NH3+])CCc2ccc(OC)cc2)cc1 ZINC000011606425 170427343 /nfs/dbraw/zinc/42/73/43/170427343.db2.gz NXWLRUNIASGYML-SFHVURJKSA-N 1 0 269.388 3.890 10 0 CHAERO [NH3+]CCc1cccc(OCc2cccc3ccccc32)c1 ZINC000011862088 170449542 /nfs/dbraw/zinc/44/95/42/170449542.db2.gz HAVKWZWDCUVKPG-UHFFFAOYSA-N 1 0 277.367 3.920 10 0 CHAERO [NH3+][C@@H]1CCC[C@@H]1Oc1ccccc1-c1ccccc1 ZINC000019260306 170761707 /nfs/dbraw/zinc/76/17/07/170761707.db2.gz KHDSEHTXZWGQOQ-WBVHZDCISA-N 1 0 253.345 3.612 10 0 CHAERO C[C@@H]([NH3+])c1ccccc1OCCCc1ccccc1 ZINC000019264287 170763407 /nfs/dbraw/zinc/76/34/07/170763407.db2.gz JEXONPDHBPFBSU-CQSZACIVSA-N 1 0 255.361 3.718 10 0 CHAERO [NH3+]C[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000019670923 170835335 /nfs/dbraw/zinc/83/53/35/170835335.db2.gz VWBUIIKDZJIYQL-CQSZACIVSA-N 1 0 265.715 3.558 10 0 CHAERO Cc1ccc(COc2ccc(CC[C@H](C)[NH3+])cc2)cc1 ZINC000019803063 170871966 /nfs/dbraw/zinc/87/19/66/170871966.db2.gz CRDCQIMSFNPWRD-HNNXBMFYSA-N 1 0 269.388 3.854 10 0 CHAERO NC(=[NH2+])c1cccc(CSc2nc3ccccc3s2)c1 ZINC000019847957 170897135 /nfs/dbraw/zinc/89/71/35/170897135.db2.gz SZALIFNQJUTINK-UHFFFAOYSA-N 1 0 299.424 3.873 10 0 CHAERO Cc1cc2ncn(-c3ccc([C@@H](C)[NH3+])cc3F)c2cc1C ZINC000019872853 170902525 /nfs/dbraw/zinc/90/25/25/170902525.db2.gz WNPPJASYHRDJMY-GFCCVEGCSA-N 1 0 283.350 3.801 10 0 CHAERO COc1cccc(Oc2cccc(F)c2[C@H](C)[NH3+])c1 ZINC000019873545 170903204 /nfs/dbraw/zinc/90/32/04/170903204.db2.gz MPUJVJDCSDVGQQ-JTQLQIEISA-N 1 0 261.296 3.646 10 0 CHAERO Cc1csc(Sc2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000019874102 170903742 /nfs/dbraw/zinc/90/37/42/170903742.db2.gz PKEPKCBXEPCYAL-SECBINFHSA-N 1 0 250.392 3.622 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1OCC ZINC000019967782 170949399 /nfs/dbraw/zinc/94/93/99/170949399.db2.gz OSAFKRWWCVCERI-INIZCTEOSA-N 1 0 285.387 3.727 10 0 CHAERO Cc1cc(C)c([C@H]([NH3+])c2cc(F)cc(F)c2)c(C)c1 ZINC000019968691 170951147 /nfs/dbraw/zinc/95/11/47/170951147.db2.gz QCIOBDWGPZBGMD-MRXNPFEDSA-N 1 0 261.315 3.938 10 0 CHAERO COc1cc([C@@H]([NH3+])c2ccc3c(c2)CCCC3)ccc1C ZINC000019970587 170953987 /nfs/dbraw/zinc/95/39/87/170953987.db2.gz UOKXTQKPRWESFO-IBGZPJMESA-N 1 0 281.399 3.931 10 0 CHAERO CC[C@H]([C@H](N)c1ccccc1)[NH+]1CCCCCCC1 ZINC000019981004 170958990 /nfs/dbraw/zinc/95/89/90/170958990.db2.gz DDVFYVBIXXBOCC-IAGOWNOFSA-N 1 0 260.425 3.731 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2c(C)cccc2C)cc1 ZINC000020005425 170967147 /nfs/dbraw/zinc/96/71/47/170967147.db2.gz JFFOUQAQXKIJBW-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO CN(c1ccccc1)[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000020081594 170986418 /nfs/dbraw/zinc/98/64/18/170986418.db2.gz XNFHXECAZMTGHM-IBGZPJMESA-N 1 0 276.383 3.976 10 0 CHAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020122551 171002500 /nfs/dbraw/zinc/00/25/00/171002500.db2.gz CTDKNOCQIKLRBJ-GFCCVEGCSA-N 1 0 275.779 3.939 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc(O)cc1 ZINC000020127657 171013229 /nfs/dbraw/zinc/01/32/29/171013229.db2.gz AKUXAQAUPXEWRE-MLGOLLRUSA-N 1 0 256.349 3.589 10 0 CHAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1 ZINC000020129309 171017485 /nfs/dbraw/zinc/01/74/85/171017485.db2.gz MEBXHYYUBTYHNN-YJBOKZPZSA-N 1 0 268.404 3.640 10 0 CHAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000020130039 171018793 /nfs/dbraw/zinc/01/87/93/171018793.db2.gz RHPJUSONSUDWHK-IRXDYDNUSA-N 1 0 265.356 3.787 10 0 CHAERO Cc1ccccc1C[NH2+]Cc1nc2ccccc2s1 ZINC000020135939 171023160 /nfs/dbraw/zinc/02/31/60/171023160.db2.gz MXVBFAZCBMEAON-UHFFFAOYSA-N 1 0 268.385 3.895 10 0 CHAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000020145079 171030510 /nfs/dbraw/zinc/03/05/10/171030510.db2.gz NJRUIXCJQCDXGL-CZUORRHYSA-N 1 0 271.360 3.714 10 0 CHAERO C[C@@H]([NH2+]CCCOCc1ccco1)c1ccccc1 ZINC000020147008 171033720 /nfs/dbraw/zinc/03/37/20/171033720.db2.gz LXFXDDUTTVHVPH-CQSZACIVSA-N 1 0 259.349 3.537 10 0 CHAERO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147838 171034928 /nfs/dbraw/zinc/03/49/28/171034928.db2.gz VQCPAWMPWJCXCZ-VXGBXAGGSA-N 1 0 259.324 3.943 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1cccc(F)c1 ZINC000020147761 171034989 /nfs/dbraw/zinc/03/49/89/171034989.db2.gz ZGXJIZBUQRPMKU-JTQLQIEISA-N 1 0 265.278 3.955 10 0 CHAERO CC[C@@H]1CCCC[N@@H+]1Cc1cc(N)ccc1Cl ZINC000020192562 171058664 /nfs/dbraw/zinc/05/86/64/171058664.db2.gz SIHUILSRMNWZMU-CYBMUJFWSA-N 1 0 252.789 3.687 10 0 CHAERO C=COCCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000020197187 171060990 /nfs/dbraw/zinc/06/09/90/171060990.db2.gz SZSIKTQFRDHMKP-LLVKDONJSA-N 1 0 284.197 3.650 10 0 CHAERO Cc1c([C@H](C)[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000020216609 171078581 /nfs/dbraw/zinc/07/85/81/171078581.db2.gz BKPCBGKFAPSIGG-ZETCQYMHSA-N 1 0 270.163 3.507 10 0 CHAERO c1ccc(Oc2ccc(OC[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000020221637 171083243 /nfs/dbraw/zinc/08/32/43/171083243.db2.gz NAXPMEJGIBOZRR-AWEZNQCLSA-N 1 0 269.344 3.610 10 0 CHAERO CN(CCc1ccccc1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225986 171090238 /nfs/dbraw/zinc/09/02/38/171090238.db2.gz PFPTUJTWGIHDAT-KRWDZBQOSA-N 1 0 288.822 3.514 10 0 CHAERO CN(CCc1ccccc1)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225987 171090414 /nfs/dbraw/zinc/09/04/14/171090414.db2.gz PFPTUJTWGIHDAT-QGZVFWFLSA-N 1 0 288.822 3.514 10 0 CHAERO CCOc1ccccc1[C@H](C[NH3+])N(C)CC1CCCCC1 ZINC000020226167 171090426 /nfs/dbraw/zinc/09/04/26/171090426.db2.gz MJJYSALSHDCHRS-KRWDZBQOSA-N 1 0 290.451 3.597 10 0 CHAERO CC(C)CN(C)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020226731 171091527 /nfs/dbraw/zinc/09/15/27/171091527.db2.gz BLXFHQCIJOFGBZ-GFCCVEGCSA-N 1 0 275.223 3.581 10 0 CHAERO CC(C)CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000020252063 171104564 /nfs/dbraw/zinc/10/45/64/171104564.db2.gz VNNDBKBVQWCWKJ-LBPRGKRZSA-N 1 0 256.187 3.885 10 0 CHAERO CC[C@H]([C@H]([NH3+])c1ccccc1)n1ccnc1C(C)C ZINC000020261743 171119170 /nfs/dbraw/zinc/11/91/70/171119170.db2.gz RQVDLAMZPFDPNM-HUUCEWRRSA-N 1 0 257.381 3.658 10 0 CHAERO CC[C@H](Oc1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000020262606 171120637 /nfs/dbraw/zinc/12/06/37/171120637.db2.gz AZLYHJHNHQPQAE-HOTGVXAUSA-N 1 0 259.324 3.683 10 0 CHAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000020384685 171175343 /nfs/dbraw/zinc/17/53/43/171175343.db2.gz XAYKHQIKNJIMQW-MRXNPFEDSA-N 1 0 257.764 3.877 10 0 CHAERO Cc1cc(C[NH2+][C@H]2CCCc3occc32)cc(C)c1O ZINC000020424335 171190855 /nfs/dbraw/zinc/19/08/55/171190855.db2.gz YAVOCKUBVGVWMC-HNNXBMFYSA-N 1 0 271.360 3.769 10 0 CHAERO [NH3+][C@@H](Cc1ccccn1)c1ccc(Cl)cc1Cl ZINC000020429145 171194008 /nfs/dbraw/zinc/19/40/08/171194008.db2.gz LZVXCECUQKUXDU-ZDUSSCGKSA-N 1 0 267.159 3.631 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000020470387 171212474 /nfs/dbraw/zinc/21/24/74/171212474.db2.gz GIXXBBRWTONROX-UHFFFAOYSA-N 1 0 257.308 3.565 10 0 CHAERO [NH3+]Cc1c(Cl)cccc1Oc1ccccc1F ZINC000020470229 171212653 /nfs/dbraw/zinc/21/26/53/171212653.db2.gz IPZPBZXHYATSNX-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)c1ccsc1 ZINC000020484697 171224145 /nfs/dbraw/zinc/22/41/45/171224145.db2.gz OALHRHFFYXCQCY-CQSZACIVSA-N 1 0 254.443 3.650 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1ccc(OC)cc1 ZINC000020484784 171224269 /nfs/dbraw/zinc/22/42/69/171224269.db2.gz SLONTFKTRYGLRJ-KRWDZBQOSA-N 1 0 278.440 3.597 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1cccc(OC)c1 ZINC000020484761 171224651 /nfs/dbraw/zinc/22/46/51/171224651.db2.gz UJPHUTBRHZFWFI-KRWDZBQOSA-N 1 0 278.440 3.597 10 0 CHAERO CCCC[NH+](CCCC)[C@H]1CCCCCC[C@H]1N ZINC000020485401 171225095 /nfs/dbraw/zinc/22/50/95/171225095.db2.gz XIJCNBLZYZISPU-CVEARBPZSA-N 1 0 254.462 3.939 10 0 CHAERO CCCCCC[C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C ZINC000020520390 171233936 /nfs/dbraw/zinc/23/39/36/171233936.db2.gz OEDQUNDXYXCEBD-HOTGVXAUSA-N 1 0 256.478 3.911 10 0 CHAERO CC[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000020525268 171238231 /nfs/dbraw/zinc/23/82/31/171238231.db2.gz DNJDJJWDSBGBRR-UHFFFAOYSA-N 1 0 294.192 3.591 10 0 CHAERO [NH3+][C@@H]1CCC[C@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000020544639 171243002 /nfs/dbraw/zinc/24/30/02/171243002.db2.gz VNFBWGWNZWGBEA-IAGOWNOFSA-N 1 0 269.344 3.738 10 0 CHAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1ccccc1C ZINC000020547327 171244949 /nfs/dbraw/zinc/24/49/49/171244949.db2.gz SVPFUFPKLNLMAH-SFHVURJKSA-N 1 0 268.404 3.830 10 0 CHAERO CC[C@@H](C)C[C@@](CC)(CN)[NH+]1CCCCCCC1 ZINC000020547506 171244996 /nfs/dbraw/zinc/24/49/96/171244996.db2.gz NIRTYKCJZBTQFD-CVEARBPZSA-N 1 0 254.462 3.796 10 0 CHAERO CC(C)CO[C@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000020547720 171245034 /nfs/dbraw/zinc/24/50/34/171245034.db2.gz VUVOOWFFPLOLMS-RBUKOAKNSA-N 1 0 283.415 3.970 10 0 CHAERO C[C@H]1CCC[N@@H+](C2(CN)CCC(c3ccccc3)CC2)C1 ZINC000020547862 171245059 /nfs/dbraw/zinc/24/50/59/171245059.db2.gz XVCSDVUNULJHKM-IVMQYODDSA-N 1 0 286.463 3.774 10 0 CHAERO CCN(C[C@@H]([NH3+])c1ccc(OC)cc1)c1ccccc1C ZINC000020547748 171245145 /nfs/dbraw/zinc/24/51/45/171245145.db2.gz FVKDMRMYZGRLGD-QGZVFWFLSA-N 1 0 284.403 3.530 10 0 CHAERO CCCCC[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000020551119 171247130 /nfs/dbraw/zinc/24/71/30/171247130.db2.gz HIQRISUDZAVPTN-HOTGVXAUSA-N 1 0 254.462 3.665 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2ccccc2C)c(C)c1 ZINC000020552806 171248184 /nfs/dbraw/zinc/24/81/84/171248184.db2.gz QJPNOTAYCNQMJA-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)c1ccc(OC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000020564194 171252901 /nfs/dbraw/zinc/25/29/01/171252901.db2.gz SJURMUUHQCVYRR-QGZVFWFLSA-N 1 0 255.361 3.889 10 0 CHAERO [NH3+][C@@H]1c2ccccc2C[C@H]1Oc1ccccc1C(F)(F)F ZINC000020563858 171253060 /nfs/dbraw/zinc/25/30/60/171253060.db2.gz HAGRLYNELFYYBN-HUUCEWRRSA-N 1 0 293.288 3.709 10 0 CHAERO COc1ccc(C[C@H]([NH3+])c2ccc(C)c(C)c2)cc1 ZINC000020587391 171259657 /nfs/dbraw/zinc/25/96/57/171259657.db2.gz TVZDWZSVHBIHFJ-KRWDZBQOSA-N 1 0 255.361 3.555 10 0 CHAERO Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000020595757 171264607 /nfs/dbraw/zinc/26/46/07/171264607.db2.gz BZQNELLAFKHXQM-GOSISDBHSA-N 1 0 280.415 3.990 10 0 CHAERO CC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020873951 171277481 /nfs/dbraw/zinc/27/74/81/171277481.db2.gz APAXWYZYRUSCPB-UHFFFAOYSA-N 1 0 285.387 3.692 10 0 CHAERO CCCCOCCC[NH2+]Cc1cccc(OCCC)c1 ZINC000020925088 171279916 /nfs/dbraw/zinc/27/99/16/171279916.db2.gz UVFMAEWWDXFZMG-UHFFFAOYSA-N 1 0 279.424 3.772 10 0 CHAERO CCOCCC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928353 171280243 /nfs/dbraw/zinc/28/02/43/171280243.db2.gz RQMNEGIBACQALP-UHFFFAOYSA-N 1 0 292.206 3.518 10 0 CHAERO CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccncc1 ZINC000020929031 171280284 /nfs/dbraw/zinc/28/02/84/171280284.db2.gz XUVGWWDYLDFCOO-UHFFFAOYSA-N 1 0 290.794 3.814 10 0 CHAERO CCn1cc(C[NH2+]CCCOC(C)C)c2ccccc21 ZINC000020935307 171281770 /nfs/dbraw/zinc/28/17/70/171281770.db2.gz QFQMDQKYMJGRNY-UHFFFAOYSA-N 1 0 274.408 3.566 10 0 CHAERO CCOc1ccccc1O[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000021011525 171287085 /nfs/dbraw/zinc/28/70/85/171287085.db2.gz QIASXGNQYSSYTL-UONOGXRCSA-N 1 0 263.381 3.514 10 0 CHAERO Cc1cc(C)c([C@H](CN)[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000021012422 171288053 /nfs/dbraw/zinc/28/80/53/171288053.db2.gz UHMVYWZPMUVOAZ-CPUCHLNUSA-N 1 0 274.452 3.590 10 0 CHAERO c1cn(CCC[NH2+]CCc2ccccc2)c2ccccc12 ZINC000021013251 171288633 /nfs/dbraw/zinc/28/86/33/171288633.db2.gz SAQPBOKULSOPIO-UHFFFAOYSA-N 1 0 278.399 3.864 10 0 CHAERO Cc1cccc(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000021014028 171289017 /nfs/dbraw/zinc/28/90/17/171289017.db2.gz PFTXUJDZDAETFF-VNQPRFMTSA-N 1 0 261.409 3.916 10 0 CHAERO Cc1ccc(O[C@H](C)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021014662 171289154 /nfs/dbraw/zinc/28/91/54/171289154.db2.gz KKPOKZMJHXQPTQ-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@]2(CN)C[C@@H](C)CC(C)(C)C2)C1 ZINC000021027046 171291344 /nfs/dbraw/zinc/29/13/44/171291344.db2.gz ISLDIGDXLBNQAF-IVSAIRAKSA-N 1 0 266.473 3.508 10 0 CHAERO CCC[NH+](CCC)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1N ZINC000021500213 171304981 /nfs/dbraw/zinc/30/49/81/171304981.db2.gz VWLOWLWGJBFENC-ILXRZTDVSA-N 1 0 254.462 3.651 10 0 CHAERO Cc1ccc(O[C@H](C)[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000021503249 171306312 /nfs/dbraw/zinc/30/63/12/171306312.db2.gz QWCOIRNMZYSRKH-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc(OCC)c(OCC)c1 ZINC000021505765 171307530 /nfs/dbraw/zinc/30/75/30/171307530.db2.gz TWTQGWQFFKUGOK-WBMJQRKESA-N 1 0 265.397 3.920 10 0 CHAERO Cc1ccc(O[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1C ZINC000021507886 171308691 /nfs/dbraw/zinc/30/86/91/171308691.db2.gz ZYGLRYVDYMBSDX-YOEHRIQHSA-N 1 0 255.361 3.771 10 0 CHAERO CCC(C)(C)C1CCC([NH2+][C@@H]2CN3CCC2CC3)CC1 ZINC000021516391 171312807 /nfs/dbraw/zinc/31/28/07/171312807.db2.gz KISLOMDXACFUOA-OFLPRAFFSA-N 1 0 278.484 3.665 10 0 CHAERO [NH3+][C@H](COc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000021516809 171313166 /nfs/dbraw/zinc/31/31/66/171313166.db2.gz UUGPYPHHBONURM-UFPBRMSXSA-N 1 0 271.404 3.609 10 0 CHAERO CC[NH+](CC)[C@@H](CNc1nc(C)cs1)c1ccccc1 ZINC000021518396 171314527 /nfs/dbraw/zinc/31/45/27/171314527.db2.gz FFNNMRHYAPMQTM-HNNXBMFYSA-N 1 0 289.448 3.947 10 0 CHAERO Cc1ccc(OC[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000021518216 171314686 /nfs/dbraw/zinc/31/46/86/171314686.db2.gz CILRNVMASIABBG-ZJIILYSQSA-N 1 0 285.431 3.918 10 0 CHAERO CCCc1ccc([C@H]([NH3+])CN(C)c2ccccc2)cc1 ZINC000021519200 171315213 /nfs/dbraw/zinc/31/52/13/171315213.db2.gz NGDSYQFVAQEVPE-GOSISDBHSA-N 1 0 268.404 3.775 10 0 CHAERO COc1ccc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000021519668 171315329 /nfs/dbraw/zinc/31/53/29/171315329.db2.gz XJEJJVMZCMQNMV-HIFRSBDPSA-N 1 0 261.409 4.000 10 0 CHAERO CCCOc1ccc([C@@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021787183 171322775 /nfs/dbraw/zinc/32/27/75/171322775.db2.gz ZFSQNEFHDACCCD-DAYGRLMNSA-N 1 0 290.451 3.738 10 0 CHAERO CCCOc1ccc([C@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021787187 171322779 /nfs/dbraw/zinc/32/27/79/171322779.db2.gz ZFSQNEFHDACCCD-RVKKMQEKSA-N 1 0 290.451 3.738 10 0 CHAERO CC(C)C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC000021789918 171323403 /nfs/dbraw/zinc/32/34/03/171323403.db2.gz BLHJVGDXNQKZBM-BBRMVZONSA-N 1 0 282.859 3.967 10 0 CHAERO COc1ccc(OC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000021792252 171324104 /nfs/dbraw/zinc/32/41/04/171324104.db2.gz YCUVNDMHESAIRN-SFHVURJKSA-N 1 0 285.387 3.897 10 0 CHAERO Cc1ccc(OC[C@H]([NH3+])c2ccccc2C)c(C)c1 ZINC000021809356 171328621 /nfs/dbraw/zinc/32/86/21/171328621.db2.gz BAPUWYCQPISTRV-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO CCC[NH+](CCC)C[C@H](N)c1cccc2ccccc21 ZINC000021813334 171330679 /nfs/dbraw/zinc/33/06/79/171330679.db2.gz GTWSHEVZJGUEEQ-SFHVURJKSA-N 1 0 270.420 3.962 10 0 CHAERO [NH3+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1Oc1cccc(F)c1 ZINC000021816976 171332982 /nfs/dbraw/zinc/33/29/82/171332982.db2.gz ZXQIHKUCXVZDKW-OLMNPRSZSA-N 1 0 285.362 3.868 10 0 CHAERO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC000021817805 171333390 /nfs/dbraw/zinc/33/33/90/171333390.db2.gz ASCPOCGCMSZARP-DOMZBBRYSA-N 1 0 268.832 3.577 10 0 CHAERO Cc1cc(C)c([C@H]([NH3+])COc2ccccc2C)c(C)c1 ZINC000021819749 171334141 /nfs/dbraw/zinc/33/41/41/171334141.db2.gz IZENRYWOXRUKGE-MRXNPFEDSA-N 1 0 269.388 3.999 10 0 CHAERO CC(C)C[C@@H]1CN(Cc2ccccc2)[C@@H](CC(C)C)C[NH2+]1 ZINC000021986730 171345837 /nfs/dbraw/zinc/34/58/37/171345837.db2.gz LEAGHBKQXMGUNR-MOPGFXCFSA-N 1 0 288.479 3.921 10 0 CHAERO COC(C[NH2+]C1CCCCCCCCCCC1)OC ZINC000022007718 171348463 /nfs/dbraw/zinc/34/84/63/171348463.db2.gz DLKHDGKUDMBCDY-UHFFFAOYSA-N 1 0 271.445 3.868 10 0 CHAERO [NH2+]=C1c2ccccc2CN1Cc1ccc(Cl)cc1 ZINC000022148651 171357503 /nfs/dbraw/zinc/35/75/03/171357503.db2.gz FYEYIFJPSZZQAX-UHFFFAOYSA-N 1 0 256.736 3.681 10 0 CHAERO CC[C@@H]([NH3+])c1ccccc1OCCc1ccccc1 ZINC000022161203 171364067 /nfs/dbraw/zinc/36/40/67/171364067.db2.gz VYOJHOHFUJHNIM-MRXNPFEDSA-N 1 0 255.361 3.718 10 0 CHAERO CC[N@H+]([C@@H](CN)c1sccc1C)C1CCCCC1 ZINC000022163543 171364764 /nfs/dbraw/zinc/36/47/64/171364764.db2.gz LWOPOQCZKRBTIE-AWEZNQCLSA-N 1 0 266.454 3.711 10 0 CHAERO C[N@H+]([C@@H](CN)c1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000022211098 171373341 /nfs/dbraw/zinc/37/33/41/171373341.db2.gz SCYROBNBRTWKKP-HNNXBMFYSA-N 1 0 298.377 3.552 10 0 CHAERO Cc1cccc(NC(=O)Nc2cccc([C@H](C)[NH3+])c2)c1 ZINC000022217988 171376124 /nfs/dbraw/zinc/37/61/24/171376124.db2.gz XHFPPNPLIKNXQU-LBPRGKRZSA-N 1 0 269.348 3.659 10 0 CHAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000022219977 171377135 /nfs/dbraw/zinc/37/71/35/171377135.db2.gz VFGRLNOPWMGMHC-RISCZKNCSA-N 1 0 286.341 3.580 10 0 CHAERO CC1CC[NH+](C[C@@H](N)c2cccc3ccccc32)CC1 ZINC000022563656 171391049 /nfs/dbraw/zinc/39/10/49/171391049.db2.gz MFCNNYHJCRUSDA-GOSISDBHSA-N 1 0 268.404 3.572 10 0 CHAERO [NH3+][C@H]1c2ccccc2CCC[C@@H]1n1cnc2ccccc21 ZINC000022566320 171391628 /nfs/dbraw/zinc/39/16/28/171391628.db2.gz PQJNXJRFBMYEMX-ROUUACIJSA-N 1 0 277.371 3.614 10 0 CHAERO CN1CC[NH+]([C@H]2C[C@H](c3ccccc3)c3ccccc32)CC1 ZINC000022778632 171398960 /nfs/dbraw/zinc/39/89/60/171398960.db2.gz PBNIVFQAAKTXAH-UXHICEINSA-N 1 0 292.426 3.511 10 0 CHAERO CC[NH+](CC)[C@H](C)CCC(=O)Nc1c(C)cccc1C ZINC000027882126 171536331 /nfs/dbraw/zinc/53/63/31/171536331.db2.gz RKQPYZATEMIOMU-OAHLLOKOSA-N 1 0 276.424 3.752 10 0 CHAERO C[NH2+]Cc1cnccc1Oc1ccc(Cl)cc1Cl ZINC000029048205 171584498 /nfs/dbraw/zinc/58/44/98/171584498.db2.gz MPTXQMSURVDICU-UHFFFAOYSA-N 1 0 283.158 3.900 10 0 CHAERO Cc1ccc([C@H](C[NH3+])Oc2cccc(C)c2C)cc1 ZINC000032108723 171701258 /nfs/dbraw/zinc/70/12/58/171701258.db2.gz IHNHPLIMKFADED-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CC1(C)[NH2+]C(C)(C)c2cc(Br)ccc21 ZINC000032301856 171723941 /nfs/dbraw/zinc/72/39/41/171723941.db2.gz UBTTXLMSTMAKLX-UHFFFAOYSA-N 1 0 254.171 3.523 10 0 CHAERO CC[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000033435582 171797067 /nfs/dbraw/zinc/79/70/67/171797067.db2.gz KQTDKKAVUGOOBX-UHFFFAOYSA-N 1 0 255.361 3.684 10 0 CHAERO Clc1cc2ccccc2nc1CCC1CC[NH2+]CC1 ZINC000033877547 171823816 /nfs/dbraw/zinc/82/38/16/171823816.db2.gz LZVMMEZSLWACAE-UHFFFAOYSA-N 1 0 274.795 3.820 10 0 CHAERO C[NH2+]Cc1ccc(Oc2cccc(C)c2C)c(F)c1 ZINC000034664383 171852133 /nfs/dbraw/zinc/85/21/33/171852133.db2.gz URHDZQWFKKVQDH-UHFFFAOYSA-N 1 0 259.324 3.954 10 0 CHAERO C[NH2+]Cc1c(Cl)cccc1Oc1ccc(F)cc1 ZINC000034664638 171852986 /nfs/dbraw/zinc/85/29/86/171852986.db2.gz PJTDPMUWRTZNLV-UHFFFAOYSA-N 1 0 265.715 3.991 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(O[C@H](C)CC)c(OC)c1 ZINC000034820108 171873476 /nfs/dbraw/zinc/87/34/76/171873476.db2.gz ZBURJJRXYQFUQR-NEPJUHHUSA-N 1 0 251.370 3.543 10 0 CHAERO [NH3+][C@H](Cc1ccc2ccccc2n1)C1CCCCC1 ZINC000034940439 171899566 /nfs/dbraw/zinc/89/95/66/171899566.db2.gz RYLYWCKCYXAENC-MRXNPFEDSA-N 1 0 254.377 3.685 10 0 CHAERO CCC1CCC(C[NH3+])(N2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000035176781 172029970 /nfs/dbraw/zinc/02/99/70/172029970.db2.gz SOTNKJOJAIMXAM-JDEYZFBPSA-N 1 0 278.484 3.796 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000035189083 172043786 /nfs/dbraw/zinc/04/37/86/172043786.db2.gz JVRGDUJSUVCVFB-MRXNPFEDSA-N 1 0 257.402 3.936 10 0 CHAERO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000035222795 172066521 /nfs/dbraw/zinc/06/65/21/172066521.db2.gz CMCJXWONSNRLSA-UHFFFAOYSA-N 1 0 263.715 3.830 10 0 CHAERO C=COCCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000035223622 172067975 /nfs/dbraw/zinc/06/79/75/172067975.db2.gz PZNOCURCOITXSK-UHFFFAOYSA-N 1 0 291.725 3.581 10 0 CHAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000035224641 172068828 /nfs/dbraw/zinc/06/88/28/172068828.db2.gz TVBLEEZRJHUFTB-RDJZCZTQSA-N 1 0 290.451 3.620 10 0 CHAERO CCC[NH2+][C@@H](CC)c1ccc(OCCOCC)cc1 ZINC000035358864 172149561 /nfs/dbraw/zinc/14/95/61/172149561.db2.gz SBYUWWNCXCDPAT-INIZCTEOSA-N 1 0 265.397 3.553 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2sccc2C)cc1Cl ZINC000035381590 172164606 /nfs/dbraw/zinc/16/46/06/172164606.db2.gz GNNFMNHXHXKUCR-GFCCVEGCSA-N 1 0 267.781 3.767 10 0 CHAERO Cc1ccsc1[C@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000035381999 172164643 /nfs/dbraw/zinc/16/46/43/172164643.db2.gz ODHLVXCDVCMDEF-CYBMUJFWSA-N 1 0 295.791 3.529 10 0 CHAERO C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000035427482 172194798 /nfs/dbraw/zinc/19/47/98/172194798.db2.gz BVPHOCMXVMGTJN-VIFPVBQESA-N 1 0 251.276 3.722 10 0 CHAERO C[NH2+][C@H](CC(C)C)c1ccc(OC)c(Br)c1 ZINC000035455571 172206912 /nfs/dbraw/zinc/20/69/12/172206912.db2.gz LNINNJLUJYPIEE-GFCCVEGCSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000035460440 172209132 /nfs/dbraw/zinc/20/91/32/172209132.db2.gz UZGVXHCQCYQINO-CYBMUJFWSA-N 1 0 257.299 3.778 10 0 CHAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000035460437 172209401 /nfs/dbraw/zinc/20/94/01/172209401.db2.gz UZGVXHCQCYQINO-ZDUSSCGKSA-N 1 0 257.299 3.778 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2cccc(OC)c2)s1 ZINC000035460977 172210075 /nfs/dbraw/zinc/21/00/75/172210075.db2.gz UQHNUSRCQSAPSP-HNNXBMFYSA-N 1 0 261.390 3.628 10 0 CHAERO C[NH2+][C@H](c1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000035461735 172210347 /nfs/dbraw/zinc/21/03/47/172210347.db2.gz LIUSDORZMIXBEI-OAHLLOKOSA-N 1 0 261.752 3.657 10 0 CHAERO C[NH2+][C@@H](c1cc(C)oc1C)c1ccc(Br)cc1 ZINC000035462353 172211110 /nfs/dbraw/zinc/21/11/10/172211110.db2.gz FVAYXWOJOXLMFS-CQSZACIVSA-N 1 0 294.192 3.968 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc(Br)cc1 ZINC000035462320 172211173 /nfs/dbraw/zinc/21/11/73/172211173.db2.gz DOTNIDRSHUCFPH-CYBMUJFWSA-N 1 0 280.165 3.659 10 0 CHAERO C[NH2+][C@H](CCc1ccc(OC)cc1)c1cccs1 ZINC000035488058 172222798 /nfs/dbraw/zinc/22/27/98/172222798.db2.gz UAMALLCVTYRHIQ-CQSZACIVSA-N 1 0 261.390 3.650 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1F ZINC000035488014 172223229 /nfs/dbraw/zinc/22/32/29/172223229.db2.gz DXDOHOXTJMPURC-GFCCVEGCSA-N 1 0 255.745 3.849 10 0 CHAERO C[NH2+][C@@H](c1cc(F)cc(F)c1)c1ccc(F)cc1F ZINC000035491860 172226542 /nfs/dbraw/zinc/22/65/42/172226542.db2.gz IRHVNFUSJRHVBV-AWEZNQCLSA-N 1 0 269.241 3.552 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(F)c(F)c2)cc1 ZINC000035494444 172227903 /nfs/dbraw/zinc/22/79/03/172227903.db2.gz OMDVRALQXPRCCG-MRXNPFEDSA-N 1 0 261.315 3.836 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)c1c(F)cccc1F ZINC000035497671 172231538 /nfs/dbraw/zinc/23/15/38/172231538.db2.gz BKWSSBKFXUDXCU-AWEZNQCLSA-N 1 0 267.344 3.952 10 0 CHAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)C(C)(C)C ZINC000035501218 172235348 /nfs/dbraw/zinc/23/53/48/172235348.db2.gz BPHRVXCDOYRFTN-CYBMUJFWSA-N 1 0 271.788 3.664 10 0 CHAERO C[NH2+][C@H](c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000035501436 172235875 /nfs/dbraw/zinc/23/58/75/172235875.db2.gz LNGLWDLJBLDEEY-LBPRGKRZSA-N 1 0 256.132 3.895 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1C ZINC000035540891 172248058 /nfs/dbraw/zinc/24/80/58/172248058.db2.gz XUPARZDPLIGPIT-QGZVFWFLSA-N 1 0 255.361 3.703 10 0 CHAERO CC[NH2+][C@H](Cc1cccc(OC)c1)c1cccs1 ZINC000035545506 172253561 /nfs/dbraw/zinc/25/35/61/172253561.db2.gz LEJSFRSYGFISQR-CQSZACIVSA-N 1 0 261.390 3.650 10 0 CHAERO CC[NH2+][C@@H](c1ccccc1C)c1ccc(F)cc1F ZINC000035547585 172255545 /nfs/dbraw/zinc/25/55/45/172255545.db2.gz FMZRHRUOJXSTPD-INIZCTEOSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(F)c(F)c1 ZINC000035548630 172256385 /nfs/dbraw/zinc/25/63/85/172256385.db2.gz PJADJYFTXBOSOJ-AWEZNQCLSA-N 1 0 251.276 3.565 10 0 CHAERO CC[NH2+][C@H](c1cc(F)ccc1OC)C(CC)CC ZINC000035554814 172260760 /nfs/dbraw/zinc/26/07/60/172260760.db2.gz UBJWCWAWDGRPGP-HNNXBMFYSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1cc(F)ccc1OC ZINC000035554464 172261167 /nfs/dbraw/zinc/26/11/67/172261167.db2.gz VYUHSCQZRNWZEC-ABAIWWIYSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@H](C[C@@H](C)CC(C)(C)C)c1cnn(C)c1 ZINC000035555614 172261632 /nfs/dbraw/zinc/26/16/32/172261632.db2.gz IHPFDTVOYVQGMS-TZMCWYRMSA-N 1 0 251.418 3.533 10 0 CHAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000035570325 172266044 /nfs/dbraw/zinc/26/60/44/172266044.db2.gz MRGHQKVBLVAHCC-GFCCVEGCSA-N 1 0 284.190 3.610 10 0 CHAERO CC[NH2+][C@H](c1ccccc1)c1ccc(OC)c(F)c1 ZINC000035572120 172268061 /nfs/dbraw/zinc/26/80/61/172268061.db2.gz JWVGTXCWNYVLCB-MRXNPFEDSA-N 1 0 259.324 3.533 10 0 CHAERO CCC[NH2+][C@@H](CC)c1ccc(OC)c(Br)c1 ZINC000035572506 172269103 /nfs/dbraw/zinc/26/91/03/172269103.db2.gz WHZWXELGNGMCMY-LBPRGKRZSA-N 1 0 286.213 3.908 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CC1 ZINC000035573991 172270720 /nfs/dbraw/zinc/27/07/20/172270720.db2.gz YGRIYNWYROFLNQ-CQSZACIVSA-N 1 0 253.773 3.799 10 0 CHAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)cc1 ZINC000035576698 172273899 /nfs/dbraw/zinc/27/38/99/172273899.db2.gz BUSGGAKIWYHPLF-LBPRGKRZSA-N 1 0 261.287 3.688 10 0 CHAERO CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)(C)C ZINC000035580995 172277342 /nfs/dbraw/zinc/27/73/42/172277342.db2.gz LAAIGELDVJANPW-HNNXBMFYSA-N 1 0 263.381 3.545 10 0 CHAERO CCC[NH2+][C@H](c1ccncc1)c1cc(C)ccc1C ZINC000035581602 172278081 /nfs/dbraw/zinc/27/80/81/172278081.db2.gz TXVPTAYUNHFVSX-QGZVFWFLSA-N 1 0 254.377 3.787 10 0 CHAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(F)c(F)c1 ZINC000035582353 172280385 /nfs/dbraw/zinc/28/03/85/172280385.db2.gz KZRXUDCLEWYQBD-CQSZACIVSA-N 1 0 251.276 3.647 10 0 CHAERO CCCC[NH+](CCCC)C[C@@](C)(N)c1ccccc1 ZINC000035619380 172299665 /nfs/dbraw/zinc/29/96/65/172299665.db2.gz MYDLCIGCGSRSOK-QGZVFWFLSA-N 1 0 262.441 3.763 10 0 CHAERO Cc1cc(Br)c2c(c1)[C@@H]([NH2+]C(C)C)CCCO2 ZINC000035653783 172330748 /nfs/dbraw/zinc/33/07/48/172330748.db2.gz ICHLYFGUQBDHFK-ZDUSSCGKSA-N 1 0 298.224 3.969 10 0 CHAERO C[NH2+][C@@H]1COc2c1cc(-c1ccccc1)cc2Cl ZINC000035655070 172331178 /nfs/dbraw/zinc/33/11/78/172331178.db2.gz MRSCWUVWOVQYCX-CQSZACIVSA-N 1 0 259.736 3.660 10 0 CHAERO Cc1ccc(Cl)c2c1[C@H]([NH2+]C1CC1)CCCO2 ZINC000035657711 172332265 /nfs/dbraw/zinc/33/22/65/172332265.db2.gz IDUKNBNFRSUTSF-GFCCVEGCSA-N 1 0 251.757 3.614 10 0 CHAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(F)(F)F ZINC000035661958 172340484 /nfs/dbraw/zinc/34/04/84/172340484.db2.gz XAQVAWZNIYDHRI-UHFFFAOYSA-N 1 0 288.096 3.654 10 0 CHAERO CC[C@@H](C)C[C@@](CC)(C[NH3+])N(C)Cc1cccs1 ZINC000035717221 172370906 /nfs/dbraw/zinc/37/09/06/172370906.db2.gz KNLUIWVRZCWCRN-HIFRSBDPSA-N 1 0 268.470 3.724 10 0 CHAERO CN(Cc1ccsc1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000035718882 172372962 /nfs/dbraw/zinc/37/29/62/172372962.db2.gz NBZHUMUTDZNXCM-AWEZNQCLSA-N 1 0 280.824 3.533 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1ccc(F)c(F)c1 ZINC000035722079 172377470 /nfs/dbraw/zinc/37/74/70/172377470.db2.gz SBKZXIZHFFMXFZ-YGRLFVJLSA-N 1 0 271.376 3.965 10 0 CHAERO [NH3+]Cc1ccc(CSc2ccc(F)cc2F)cc1 ZINC000035722013 172377502 /nfs/dbraw/zinc/37/75/02/172377502.db2.gz SBZBCQUAEZBCEO-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1ccc(F)c(F)c1 ZINC000035722084 172377654 /nfs/dbraw/zinc/37/76/54/172377654.db2.gz FVCQXOKCZSEURJ-TVQRCGJNSA-N 1 0 257.349 3.574 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H](SCCOC)C1 ZINC000035721944 172377773 /nfs/dbraw/zinc/37/77/73/172377773.db2.gz NVDRFEGCJHSGIG-MGPQQGTHSA-N 1 0 273.486 3.546 10 0 CHAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1nc2ccccc2s1 ZINC000035722494 172378235 /nfs/dbraw/zinc/37/82/35/172378235.db2.gz WSQLTQUGEZGKFD-GXSJLCMTSA-N 1 0 264.419 3.516 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1ccc(Cl)cc1 ZINC000035722553 172378363 /nfs/dbraw/zinc/37/83/63/172378363.db2.gz URZKYMAWJRFHDT-MFKMUULPSA-N 1 0 255.814 3.950 10 0 CHAERO [NH3+]Cc1ccc(OCCCOc2ccc(Cl)cc2)cc1 ZINC000035726463 172380488 /nfs/dbraw/zinc/38/04/88/172380488.db2.gz ZFCMCAHFXXVFDP-UHFFFAOYSA-N 1 0 291.778 3.647 10 0 CHAERO CCC[NH2+][C@@H]1c2cc3c(cc2SC[C@@H]1C)CCC3 ZINC000035761080 172399192 /nfs/dbraw/zinc/39/91/92/172399192.db2.gz HMWPOHMASILDJN-ZBEGNZNMSA-N 1 0 261.434 3.958 10 0 CHAERO C[NH2+][C@@H]1C[C@H](C)Sc2ccc(Br)cc21 ZINC000035762906 172402964 /nfs/dbraw/zinc/40/29/64/172402964.db2.gz PAURCPXZSDLUQC-OIBJUYFYSA-N 1 0 272.211 3.594 10 0 CHAERO [NH3+]Cc1ccc2nc(-c3ccc(Cl)cc3Cl)cn2c1 ZINC000036243480 172541208 /nfs/dbraw/zinc/54/12/08/172541208.db2.gz VGCTWGDHNWNABN-UHFFFAOYSA-N 1 0 292.169 3.767 10 0 CHAERO CCC(CC)[C@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000036926052 172808617 /nfs/dbraw/zinc/80/86/17/172808617.db2.gz CJLSTJXOZDQFNO-AWEZNQCLSA-N 1 0 269.772 3.547 10 0 CHAERO CCN(C(C)C)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000037081986 172939438 /nfs/dbraw/zinc/93/94/38/172939438.db2.gz YFDXRHIUZFADJC-GFCCVEGCSA-N 1 0 275.223 3.724 10 0 CHAERO CC[NH+]1CCC([C@@H](C)Nc2cc(C)cc(C)c2)CC1 ZINC000037210120 173031310 /nfs/dbraw/zinc/03/13/10/173031310.db2.gz HTLSEBLTTBYLPZ-OAHLLOKOSA-N 1 0 260.425 3.836 10 0 CHAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccc(F)cc2)C1 ZINC000037209958 173031441 /nfs/dbraw/zinc/03/14/41/173031441.db2.gz IUXYDFTZYJIZBH-KGLIPLIRSA-N 1 0 264.388 3.748 10 0 CHAERO CCC[NH+](CCC)[C@@H](C)[C@@H](N)c1ccc(CC)cc1 ZINC000037223705 173043918 /nfs/dbraw/zinc/04/39/18/173043918.db2.gz VZPZABWOIKNWLZ-WMLDXEAASA-N 1 0 262.441 3.759 10 0 CHAERO CCc1ccc([C@@H](N)[C@@H](C)[N@H+](CC)CC(C)C)cc1 ZINC000037223836 173044470 /nfs/dbraw/zinc/04/44/70/173044470.db2.gz HBSZOGHBUKUVFY-PBHICJAKSA-N 1 0 262.441 3.615 10 0 CHAERO [NH3+][C@@H](Cc1cccc(F)c1)c1nc2ccccc2s1 ZINC000037239272 173056182 /nfs/dbraw/zinc/05/61/82/173056182.db2.gz BXFXKYMFMQLZHS-LBPRGKRZSA-N 1 0 272.348 3.678 10 0 CHAERO CC(C)C[C@H](C)[NH2+][C@H](c1cccs1)c1nccn1C ZINC000037255457 173066051 /nfs/dbraw/zinc/06/60/51/173066051.db2.gz DXZSQLLWBUSPNU-GXTWGEPZSA-N 1 0 277.437 3.595 10 0 CHAERO Cc1ncsc1[C@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037318724 173119423 /nfs/dbraw/zinc/11/94/23/173119423.db2.gz KWFLEOMLQCMTSE-LBPRGKRZSA-N 1 0 275.421 3.686 10 0 CHAERO FC(F)(F)Oc1ccc(CC[C@H]2CCCC[NH2+]2)cc1 ZINC000037328139 173128540 /nfs/dbraw/zinc/12/85/40/173128540.db2.gz IVCAYTRNLQBQIX-GFCCVEGCSA-N 1 0 273.298 3.660 10 0 CHAERO COc1cc(Cl)c([C@@H]([NH3+])C2CCCCC2)cc1OC ZINC000037332646 173133280 /nfs/dbraw/zinc/13/32/80/173133280.db2.gz SOZKIQPHUJJAPH-HNNXBMFYSA-N 1 0 283.799 3.937 10 0 CHAERO CC(C)CC[C@@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000037332307 173133568 /nfs/dbraw/zinc/13/35/68/173133568.db2.gz DBBYTIUKYQTSLD-CYBMUJFWSA-N 1 0 283.799 3.937 10 0 CHAERO CCC[N@H+](C(C)C)[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037335207 173137086 /nfs/dbraw/zinc/13/70/86/173137086.db2.gz PNAMVSFUJASBPG-HNNXBMFYSA-N 1 0 261.409 3.995 10 0 CHAERO CC(C)[C@@H](C)[N@H+](C)CC(=O)c1cc2ccccc2o1 ZINC000037339031 173139738 /nfs/dbraw/zinc/13/97/38/173139738.db2.gz FBKNCOYXZNBOMN-GFCCVEGCSA-N 1 0 259.349 3.592 10 0 CHAERO CC[C@H](C)c1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000037413368 173190401 /nfs/dbraw/zinc/19/04/01/173190401.db2.gz WOLVWZMMSQAXPR-SUMWQHHRSA-N 1 0 258.409 3.706 10 0 CHAERO [NH3+][C@@H](c1nc2cc(F)ccc2n1C1CC1)c1ccccc1 ZINC000037439884 173209244 /nfs/dbraw/zinc/20/92/44/173209244.db2.gz MSCFOGDJWFCASJ-MRXNPFEDSA-N 1 0 281.334 3.558 10 0 CHAERO CC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440643 173210159 /nfs/dbraw/zinc/21/01/59/173210159.db2.gz YMUJDPRKEAWRQL-JTQLQIEISA-N 1 0 251.761 3.680 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])CC ZINC000037440518 173210231 /nfs/dbraw/zinc/21/02/31/173210231.db2.gz PKTRSSVUKGOQDO-SNVBAGLBSA-N 1 0 251.761 3.510 10 0 CHAERO [NH3+][C@]1(Cc2cccc(F)c2)CCCc2ccccc21 ZINC000037530632 173252858 /nfs/dbraw/zinc/25/28/58/173252858.db2.gz JTDIWDJWPCCTSH-KRWDZBQOSA-N 1 0 255.336 3.559 10 0 CHAERO COc1ccc([C@@](C)([NH3+])c2ccccc2Cl)cc1 ZINC000037529726 173252894 /nfs/dbraw/zinc/25/28/94/173252894.db2.gz LLXISDNNBJXGML-OAHLLOKOSA-N 1 0 261.752 3.571 10 0 CHAERO C[C@@]([NH3+])(Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000037531214 173253464 /nfs/dbraw/zinc/25/34/64/173253464.db2.gz QJABNEHYHWAYPO-OAHLLOKOSA-N 1 0 263.743 3.896 10 0 CHAERO COc1ccccc1[C@@](C)([NH3+])CCc1ccccc1 ZINC000037531778 173253602 /nfs/dbraw/zinc/25/36/02/173253602.db2.gz DDTWHFJYQFFTON-KRWDZBQOSA-N 1 0 255.361 3.502 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1)Cc1ccccc1C ZINC000037535029 173254369 /nfs/dbraw/zinc/25/43/69/173254369.db2.gz VHYRHRMYZDPPFX-QGZVFWFLSA-N 1 0 257.352 3.507 10 0 CHAERO CCC[NH2+][C@H](Cc1ccccn1)c1ccccc1C ZINC000037535492 173255178 /nfs/dbraw/zinc/25/51/78/173255178.db2.gz UMBWWHMRVFLPDC-QGZVFWFLSA-N 1 0 254.377 3.673 10 0 CHAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])CCCC(=O)OC)cc1 ZINC000037636235 173584446 /nfs/dbraw/zinc/58/44/46/173584446.db2.gz DDVLDYAZYAUFIF-DOMZBBRYSA-N 1 0 263.381 3.543 10 0 CHAERO CCOc1cc(C[C@H]([NH3+])CC)ccc1O[C@H](C)CC ZINC000037726262 173644483 /nfs/dbraw/zinc/64/44/83/173644483.db2.gz LBWJWNNHXHPBJP-TZMCWYRMSA-N 1 0 265.397 3.542 10 0 CHAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1OCC=C(C)C ZINC000037725880 173644608 /nfs/dbraw/zinc/64/46/08/173644608.db2.gz KXOAOUXXIFXMRA-AWEZNQCLSA-N 1 0 267.800 3.965 10 0 CHAERO CCN(CC)c1ncc(C[NH2+]CCC2CCCC2)s1 ZINC000037739722 173660109 /nfs/dbraw/zinc/66/01/09/173660109.db2.gz UGAYNZUMZLRZPE-UHFFFAOYSA-N 1 0 281.469 3.659 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)Cc1c(F)cccc1F)C(C)C ZINC000037776059 173707917 /nfs/dbraw/zinc/70/79/17/173707917.db2.gz KFQZKQKNNOAWDT-NHYWBVRUSA-N 1 0 255.352 3.920 10 0 CHAERO C[NH2+][C@@H](CC1CCCC1)c1c(F)cc(OC)cc1F ZINC000037903490 173834600 /nfs/dbraw/zinc/83/46/00/173834600.db2.gz XHAHKKBVKOGBLI-AWEZNQCLSA-N 1 0 269.335 3.814 10 0 CHAERO Cc1cc(C[NH2+]C2CCCCC2)c2ccccc2n1 ZINC000037927386 173866253 /nfs/dbraw/zinc/86/62/53/173866253.db2.gz FRHFDPBQVKVINM-UHFFFAOYSA-N 1 0 254.377 3.966 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1cccc(F)c1 ZINC000037992456 173952767 /nfs/dbraw/zinc/95/27/67/173952767.db2.gz RATXINQFLSFHQL-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(Cl)cc1 ZINC000038009312 173974381 /nfs/dbraw/zinc/97/43/81/173974381.db2.gz FZDKADIBQGAFSF-LRDDRELGSA-N 1 0 287.790 3.994 10 0 CHAERO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000038028200 174016350 /nfs/dbraw/zinc/01/63/50/174016350.db2.gz MJNRHIOWJYCRKP-XHSDSOJGSA-N 1 0 254.462 3.665 10 0 CHAERO CCC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccccc1 ZINC000038028172 174016680 /nfs/dbraw/zinc/01/66/80/174016680.db2.gz FQZLXLGZBFHYGO-SJLPKXTDSA-N 1 0 274.452 3.992 10 0 CHAERO CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(C)cc1 ZINC000038028580 174017293 /nfs/dbraw/zinc/01/72/93/174017293.db2.gz BONNGBQGSFDZFZ-WMZOPIPTSA-N 1 0 274.452 3.910 10 0 CHAERO C[C@H](C[NH2+][C@H]1CCCCc2ccccc21)N1CCCCC1 ZINC000038028453 174017794 /nfs/dbraw/zinc/01/77/94/174017794.db2.gz NTAWSZCQDQDCCD-APWZRJJASA-N 1 0 286.463 3.918 10 0 CHAERO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N1CCCCC1 ZINC000038028788 174018150 /nfs/dbraw/zinc/01/81/50/174018150.db2.gz OJVOIFYAVIONJR-HOTGVXAUSA-N 1 0 286.463 3.700 10 0 CHAERO CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1OC ZINC000038028976 174018886 /nfs/dbraw/zinc/01/88/86/174018886.db2.gz ZEOCCVYTOXEEPD-RDJZCZTQSA-N 1 0 290.451 3.610 10 0 CHAERO CC(C)[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccccc1 ZINC000038029121 174019376 /nfs/dbraw/zinc/01/93/76/174019376.db2.gz PIRMLLPUGFLCJA-SJLPKXTDSA-N 1 0 274.452 3.848 10 0 CHAERO Cc1nccc(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)n1 ZINC000038037255 174037657 /nfs/dbraw/zinc/03/76/57/174037657.db2.gz UFIQYYSMGHZXQE-QGZVFWFLSA-N 1 0 281.403 3.687 10 0 CHAERO C[C@H](CN[C@H](C)c1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000038041675 174043519 /nfs/dbraw/zinc/04/35/19/174043519.db2.gz WKWZOGKKHDLSRQ-ZIAGYGMSSA-N 1 0 296.405 3.737 10 0 CHAERO CCC[NH2+][C@H](C)c1ccc(-n2cc(Cl)cn2)cc1 ZINC000038053653 174064974 /nfs/dbraw/zinc/06/49/74/174064974.db2.gz IZBYNMVUQZGTLJ-LLVKDONJSA-N 1 0 263.772 3.586 10 0 CHAERO [NH3+][C@@H](c1cccc(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000038057786 174067937 /nfs/dbraw/zinc/06/79/37/174067937.db2.gz INYABIDRZJCQPU-INIZCTEOSA-N 1 0 273.763 3.713 10 0 CHAERO CC[NH2+]Cc1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000038070097 174080876 /nfs/dbraw/zinc/08/08/76/174080876.db2.gz PWRQZRGZNXQCBJ-UHFFFAOYSA-N 1 0 254.377 3.529 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000038070499 174081653 /nfs/dbraw/zinc/08/16/53/174081653.db2.gz SIHAMLMXSKYUMW-OAHLLOKOSA-N 1 0 271.360 3.781 10 0 CHAERO Fc1cccc(-c2cc(C[NH2+]C3CC3)ccc2F)c1 ZINC000038071642 174082702 /nfs/dbraw/zinc/08/27/02/174082702.db2.gz JURMDYRTIJTTIZ-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO C[NH2+][C@@H](C)c1ccccc1-c1ccc2c(c1)CCO2 ZINC000038072951 174083226 /nfs/dbraw/zinc/08/32/26/174083226.db2.gz IRAUMISBEGKNGG-LBPRGKRZSA-N 1 0 253.345 3.569 10 0 CHAERO CC(C)Oc1ccc(-c2ccc(C[NH3+])c(F)c2)cc1 ZINC000038073450 174083462 /nfs/dbraw/zinc/08/34/62/174083462.db2.gz QBUOOCMLWBYJNK-UHFFFAOYSA-N 1 0 259.324 3.739 10 0 CHAERO CC[C@H]([NH3+])c1ccc(-c2ccc(OC)c(F)c2)cc1 ZINC000038073697 174084062 /nfs/dbraw/zinc/08/40/62/174084062.db2.gz XBQOCHZVGVCUHQ-HNNXBMFYSA-N 1 0 259.324 3.911 10 0 CHAERO Cc1cc(C)cc(C[C@](C)([NH3+])c2cccc(F)c2)c1 ZINC000038077122 174087518 /nfs/dbraw/zinc/08/75/18/174087518.db2.gz XOPURDKQPFCDTL-KRWDZBQOSA-N 1 0 257.352 3.859 10 0 CHAERO CCOc1cccc([C@H]([NH3+])c2ccccc2Cl)c1 ZINC000038078467 174088759 /nfs/dbraw/zinc/08/87/59/174088759.db2.gz DMWNZOVJSYTZRF-HNNXBMFYSA-N 1 0 261.752 3.787 10 0 CHAERO CCCCC[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1 ZINC000038087702 174099795 /nfs/dbraw/zinc/09/97/95/174099795.db2.gz QALQSKUMIRCYMN-DOTOQJQBSA-N 1 0 262.441 3.848 10 0 CHAERO C[C@H](NC[C@H](C)[NH+](C)C)c1c(Cl)ccc(F)c1Cl ZINC000038088301 174101056 /nfs/dbraw/zinc/10/10/56/174101056.db2.gz WMQZFELNNOMYDY-IUCAKERBSA-N 1 0 293.213 3.733 10 0 CHAERO CC(C)(C)C[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000038128369 174131566 /nfs/dbraw/zinc/13/15/66/174131566.db2.gz RWZRXGGGPMYJOS-GFCCVEGCSA-N 1 0 270.214 3.755 10 0 CHAERO C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccccc1C ZINC000038133283 174132530 /nfs/dbraw/zinc/13/25/30/174132530.db2.gz HYAMQOQIPZICKI-QGZVFWFLSA-N 1 0 255.361 3.507 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1C)c1cc(F)cc(F)c1 ZINC000038135900 174132923 /nfs/dbraw/zinc/13/29/23/174132923.db2.gz YTYPUPQHHUINTK-MRXNPFEDSA-N 1 0 261.315 3.776 10 0 CHAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1cc(F)cc(F)c1 ZINC000038136148 174133248 /nfs/dbraw/zinc/13/32/48/174133248.db2.gz WXMWRTPZXDSXQE-MRXNPFEDSA-N 1 0 261.315 3.776 10 0 CHAERO CC(C)(C)c1ccc([C@@H](CN)[NH+]2CCCCCC2)cc1 ZINC000039148483 174164479 /nfs/dbraw/zinc/16/44/79/174164479.db2.gz XEKRDIOCDHMSRU-QGZVFWFLSA-N 1 0 274.452 3.860 10 0 CHAERO Cc1ccc2c(c1)[C@@H]([NH3+])CN2Cc1ccc(Cl)cc1 ZINC000039941609 174175661 /nfs/dbraw/zinc/17/56/61/174175661.db2.gz FRXFNZTVNUUJSY-HNNXBMFYSA-N 1 0 272.779 3.668 10 0 CHAERO CC[NH+](CC)CCCn1c(C)nc2ccc(Cl)cc21 ZINC000040403682 174253879 /nfs/dbraw/zinc/25/38/79/174253879.db2.gz XJRJBTGNAWAFKP-UHFFFAOYSA-N 1 0 279.815 3.730 10 0 CHAERO CC[C@H](C)n1c2cc(Cl)ccc2nc1[C@@H](C)[NH3+] ZINC000040408255 174253950 /nfs/dbraw/zinc/25/39/50/174253950.db2.gz MWADDADBYROWOS-DTWKUNHWSA-N 1 0 251.761 3.680 10 0 CHAERO COc1cc(Cl)cc(C[NH2+]CC(C)C)c1OC(C)C ZINC000040728325 174387673 /nfs/dbraw/zinc/38/76/73/174387673.db2.gz GBLLWNJRCZQOKI-UHFFFAOYSA-N 1 0 285.815 3.881 10 0 CHAERO Cc1cc([C@H](C)[NH3+])ccc1OCc1ccc(F)cc1 ZINC000041344896 174527264 /nfs/dbraw/zinc/52/72/64/174527264.db2.gz CODAPQCOQRUWMO-LBPRGKRZSA-N 1 0 259.324 3.733 10 0 CHAERO COc1cccc([C@H]([NH3+])c2c(F)cccc2Cl)c1 ZINC000041382523 174539958 /nfs/dbraw/zinc/53/99/58/174539958.db2.gz RITNZSACRDPTQS-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO COc1ccc(C)cc1C[C@@H](C[NH3+])Cc1ccc(C)cc1 ZINC000041441412 174553521 /nfs/dbraw/zinc/55/35/21/174553521.db2.gz PEFVXQJLOWTQPB-KRWDZBQOSA-N 1 0 283.415 3.672 10 0 CHAERO COc1ccc(C)cc1C[C@H](C[NH3+])Cc1ccccc1C ZINC000041441401 174553604 /nfs/dbraw/zinc/55/36/04/174553604.db2.gz WYXTXCNBBQWBHH-MRXNPFEDSA-N 1 0 283.415 3.672 10 0 CHAERO [NH3+]C[C@H](Cc1ccc(Br)cc1)c1ccccc1 ZINC000041466911 174557332 /nfs/dbraw/zinc/55/73/32/174557332.db2.gz YDAAWQUSCCGTPZ-AWEZNQCLSA-N 1 0 290.204 3.734 10 0 CHAERO COc1cccc([C@@H]([NH3+])c2ccc(F)c(Cl)c2)c1 ZINC000041654613 174593347 /nfs/dbraw/zinc/59/33/47/174593347.db2.gz BKSXUCHTCVUQQX-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO CCN(CC[NH2+]C(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000042387153 174704808 /nfs/dbraw/zinc/70/48/08/174704808.db2.gz YBYJALAIBHUBIJ-UHFFFAOYSA-N 1 0 289.250 3.813 10 0 CHAERO CCCCC[N@H+](Cc1ccc(OC)c(N)c1)C(C)C ZINC000042553685 174791368 /nfs/dbraw/zinc/79/13/68/174791368.db2.gz XHKCXAXQNBIFTO-UHFFFAOYSA-N 1 0 264.413 3.678 10 0 CHAERO CCCN(CC(F)(F)F)c1ccccc1C[NH2+]CC ZINC000042777958 174874668 /nfs/dbraw/zinc/87/46/68/174874668.db2.gz BUUQFKCTYKRBPJ-UHFFFAOYSA-N 1 0 274.330 3.575 10 0 CHAERO C[C@H]([NH3+])[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)s1 ZINC000042902085 174906365 /nfs/dbraw/zinc/90/63/65/174906365.db2.gz IXIROBUUTOPDPE-NHYWBVRUSA-N 1 0 294.851 3.922 10 0 CHAERO C[C@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000042903208 174906823 /nfs/dbraw/zinc/90/68/23/174906823.db2.gz WQCMPMKEDCWKLA-XHDPSFHLSA-N 1 0 261.752 3.807 10 0 CHAERO Cc1csc(S[C@H](c2ccccc2)[C@H](C)[NH3+])n1 ZINC000042904711 174907444 /nfs/dbraw/zinc/90/74/44/174907444.db2.gz PHYKRURNCZKKAV-JQWIXIFHSA-N 1 0 264.419 3.632 10 0 CHAERO Cc1ccc([C@@H](C[NH3+])O[C@@H](C)c2ccccc2)cc1 ZINC000042907078 174908430 /nfs/dbraw/zinc/90/84/30/174908430.db2.gz MMKMOHPMYHQEPO-WMLDXEAASA-N 1 0 255.361 3.773 10 0 CHAERO Cc1ccc([C@@H](Oc2ccc(F)cc2)[C@@H](C)[NH3+])cc1 ZINC000042910737 174909815 /nfs/dbraw/zinc/90/98/15/174909815.db2.gz YRKGOFHJUFPFRC-WBMJQRKESA-N 1 0 259.324 3.601 10 0 CHAERO Cc1ccc([C@@H]([C@H](C)N)[N@H+](CC2CC2)C(C)C)cc1 ZINC000042909817 174910027 /nfs/dbraw/zinc/91/00/27/174910027.db2.gz ODIYDZOOFFEVMC-WMLDXEAASA-N 1 0 260.425 3.504 10 0 CHAERO COc1ccc(S[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000042943153 174918833 /nfs/dbraw/zinc/91/88/33/174918833.db2.gz MIPWBPLNCBDGLT-OAHLLOKOSA-N 1 0 277.364 3.626 10 0 CHAERO CC(C)CCO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042948581 174922996 /nfs/dbraw/zinc/92/29/96/174922996.db2.gz KPGDSUUCMYJHKV-BXUZGUMPSA-N 1 0 255.789 3.791 10 0 CHAERO CCCCCO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042949572 174923182 /nfs/dbraw/zinc/92/31/82/174923182.db2.gz DHPRMKDYCLMFMQ-SMDDNHRTSA-N 1 0 255.789 3.935 10 0 CHAERO Cc1cccc([C@H](C[NH3+])Oc2ccc(C)c(C)c2)c1 ZINC000042968079 174932396 /nfs/dbraw/zinc/93/23/96/174932396.db2.gz CPJDSWYVLZTVSB-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CCc1ccccc1O[C@H](C[NH3+])c1cccc(C)c1 ZINC000042969143 174932744 /nfs/dbraw/zinc/93/27/44/174932744.db2.gz QKPHKWSQKGTXJS-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000042973483 174937007 /nfs/dbraw/zinc/93/70/07/174937007.db2.gz ULQXIWACROBNPX-CQSZACIVSA-N 1 0 265.715 3.558 10 0 CHAERO COc1cccc([C@@H](C[NH3+])Sc2cccc(C)c2)c1 ZINC000043033028 174949304 /nfs/dbraw/zinc/94/93/04/174949304.db2.gz PHSYPHYEKQZWJQ-MRXNPFEDSA-N 1 0 273.401 3.796 10 0 CHAERO Cc1ccccc1[C@@H](OCc1cccs1)[C@H](C)[NH3+] ZINC000043040514 174953214 /nfs/dbraw/zinc/95/32/14/174953214.db2.gz LNBKYSHSBWTIKB-WFASDCNBSA-N 1 0 261.390 3.662 10 0 CHAERO CCCCCO[C@@H](c1ccccc1F)[C@@H]([NH3+])CC ZINC000043048579 174957366 /nfs/dbraw/zinc/95/73/66/174957366.db2.gz CJISJLMTQNIWDC-GJZGRUSLSA-N 1 0 253.361 3.811 10 0 CHAERO COc1ccc(S[C@@H](C[NH3+])c2cccs2)cc1 ZINC000043112973 174975061 /nfs/dbraw/zinc/97/50/61/174975061.db2.gz OEHDTKPXEYUAGS-ZDUSSCGKSA-N 1 0 265.403 3.549 10 0 CHAERO [NH3+][C@H]1CCCCC[C@H]1Cc1c(F)cccc1Cl ZINC000043650360 175085497 /nfs/dbraw/zinc/08/54/97/175085497.db2.gz QJVSJDMKXJBTFZ-HZMBPMFUSA-N 1 0 255.764 3.929 10 0 CHAERO Cc1cc(C)c([C@@H](O)C[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000044116162 175141661 /nfs/dbraw/zinc/14/16/61/175141661.db2.gz AQIATWOQPRBFNJ-HOTGVXAUSA-N 1 0 261.409 3.520 10 0 CHAERO Cc1ccc([C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000044121803 175143439 /nfs/dbraw/zinc/14/34/39/175143439.db2.gz GPMJRLGIOJCSKF-HLLBOEOZSA-N 1 0 261.409 3.600 10 0 CHAERO CCCOc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000044129024 175144696 /nfs/dbraw/zinc/14/46/96/175144696.db2.gz DIMQUWBYQDHHGA-WMZOPIPTSA-N 1 0 291.435 3.773 10 0 CHAERO C[NH2+][C@H](Cc1c(Cl)cccc1Cl)c1cccnc1 ZINC000044267452 175157777 /nfs/dbraw/zinc/15/77/77/175157777.db2.gz ZMTFXUNMVBCMMQ-CQSZACIVSA-N 1 0 281.186 3.892 10 0 CHAERO CC[NH2+]Cc1nc(-c2ccccc2Cl)cs1 ZINC000045206547 175328176 /nfs/dbraw/zinc/32/81/76/175328176.db2.gz WMEANBOPWWVODC-UHFFFAOYSA-N 1 0 252.770 3.573 10 0 CHAERO Cc1c(C2CC[NH2+]CC2)c2ccccc2n1C(C)C ZINC000049453608 175478698 /nfs/dbraw/zinc/47/86/98/175478698.db2.gz OGPRHKKKTJLLHJ-UHFFFAOYSA-N 1 0 256.393 3.998 10 0 CHAERO [NH3+]CCCc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000054139573 175554682 /nfs/dbraw/zinc/55/46/82/175554682.db2.gz HNIPQBVZDRSWTE-UHFFFAOYSA-N 1 0 276.449 3.502 10 0 CHAERO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]2C)C2CC2)cc1 ZINC000071206592 176080472 /nfs/dbraw/zinc/08/04/72/176080472.db2.gz UNKORGXEOIDJRH-CSMYWGQOSA-N 1 0 259.393 3.925 10 0 CHAERO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000071207872 176081088 /nfs/dbraw/zinc/08/10/88/176081088.db2.gz MLVAWSBJUCVTLH-IIMNLJJBSA-N 1 0 288.218 3.805 10 0 CHAERO Cc1cc(Cl)ccc1OCc1ccc(F)cc1C[NH3+] ZINC000071264325 176097627 /nfs/dbraw/zinc/09/76/27/176097627.db2.gz SIGCAQQDBAHXBW-UHFFFAOYSA-N 1 0 279.742 3.825 10 0 CHAERO CC[C@H](NC1=[NH+]C[C@H](C2CC2)S1)c1ccccc1 ZINC000071307929 176116441 /nfs/dbraw/zinc/11/64/41/176116441.db2.gz BZNPZKUJENBAEN-UONOGXRCSA-N 1 0 260.406 3.609 10 0 CHAERO C[C@@H](OCC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000071582342 176207428 /nfs/dbraw/zinc/20/74/28/176207428.db2.gz LSSRVRIKGLFTMZ-CYBMUJFWSA-N 1 0 257.333 3.515 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2c1ccccc1F ZINC000071642241 176239056 /nfs/dbraw/zinc/23/90/56/176239056.db2.gz OLFMUTPGUOEBLT-QGZVFWFLSA-N 1 0 285.362 3.805 10 0 CHAERO C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357511 176376239 /nfs/dbraw/zinc/37/62/39/176376239.db2.gz BAFVYKRDRIOISR-QGZVFWFLSA-N 1 0 270.351 3.578 10 0 CHAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@@H](c1ccc(C(C)C)cc1)C2 ZINC000072415304 176399258 /nfs/dbraw/zinc/39/92/58/176399258.db2.gz VTLNNIHHJQNJLP-CABCVRRESA-N 1 0 269.392 3.571 10 0 CHAERO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640400 335073029 /nfs/dbraw/zinc/07/30/29/335073029.db2.gz GWRNHEXIQOGCNH-AEFFLSMTSA-N 1 0 295.430 3.967 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc(Cl)c(F)c2)cc1 ZINC000075914788 176829517 /nfs/dbraw/zinc/82/95/17/176829517.db2.gz QRVJZBQLFGRSCX-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO CC1CCC(C[NH3+])(c2ccc(Br)cc2)CC1 ZINC000076480190 177026118 /nfs/dbraw/zinc/02/61/18/177026118.db2.gz XOQLLKJULFFUCQ-UHFFFAOYSA-N 1 0 282.225 3.856 10 0 CHAERO CC(C)C[C@H](C[NH3+])c1ccc(OC(C)C)c(F)c1 ZINC000076657475 177046500 /nfs/dbraw/zinc/04/65/00/177046500.db2.gz NLBRSZZYJAJUST-CYBMUJFWSA-N 1 0 253.361 3.701 10 0 CHAERO CCCc1ccc([C@H](CC[NH3+])c2ccccn2)cc1 ZINC000076658416 177046861 /nfs/dbraw/zinc/04/68/61/177046861.db2.gz LOHXQSBNAXQJNP-INIZCTEOSA-N 1 0 254.377 3.515 10 0 CHAERO CCCc1ccc([C@@H](CC[NH3+])c2ccncc2)cc1 ZINC000076658426 177047093 /nfs/dbraw/zinc/04/70/93/177047093.db2.gz ZZHCFWMRUAAOFZ-QGZVFWFLSA-N 1 0 254.377 3.515 10 0 CHAERO Cc1ccc([C@@H](C[NH3+])CCOc2ccccc2)cc1 ZINC000076660226 177048618 /nfs/dbraw/zinc/04/86/18/177048618.db2.gz GHUHUPBUVLBICW-MRXNPFEDSA-N 1 0 255.361 3.506 10 0 CHAERO CCCCN(CC[NH3+])c1cc(Cl)ccc1Cl ZINC000076671780 177054229 /nfs/dbraw/zinc/05/42/29/177054229.db2.gz ZGKNIVCJVIIRRQ-UHFFFAOYSA-N 1 0 261.196 3.559 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccc(F)cc1)c1cccs1 ZINC000076678406 177056983 /nfs/dbraw/zinc/05/69/83/177056983.db2.gz FBJKPZLKIZDELM-CYBMUJFWSA-N 1 0 263.381 3.952 10 0 CHAERO [NH3+]CC[C@H](CCc1cccc(Cl)c1)c1ccncc1 ZINC000076722152 177069827 /nfs/dbraw/zinc/06/98/27/177069827.db2.gz VBQFTBSHMIKRHQ-AWEZNQCLSA-N 1 0 274.795 3.800 10 0 CHAERO Brc1ccc(CC[C@H]2CCCC[NH2+]2)s1 ZINC000076726071 177071497 /nfs/dbraw/zinc/07/14/97/177071497.db2.gz YIXMKFKVVXOQJZ-SECBINFHSA-N 1 0 274.227 3.585 10 0 CHAERO Brc1cccc(CC[C@@H]2CCCCC[NH2+]2)c1 ZINC000076727455 177071517 /nfs/dbraw/zinc/07/15/17/177071517.db2.gz ANLMHQKNPNQBER-AWEZNQCLSA-N 1 0 282.225 3.914 10 0 CHAERO CCN(c1nc([C@@H](C)[NH3+])cs1)c1cccc(C)c1 ZINC000076735265 177075915 /nfs/dbraw/zinc/07/59/15/177075915.db2.gz FSFHYNYLXOMWRI-LLVKDONJSA-N 1 0 261.394 3.629 10 0 CHAERO CC[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000076783230 177091440 /nfs/dbraw/zinc/09/14/40/177091440.db2.gz DEZIATJTNXOSBC-UHFFFAOYSA-N 1 0 266.797 3.616 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]CCCCCO)c1ccccc1 ZINC000192925769 227384204 /nfs/dbraw/zinc/38/42/04/227384204.db2.gz VLFISVLUINTITG-LJQANCHMSA-N 1 0 283.415 3.837 10 0 CHAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCS[C@@H](C)C2)c1C ZINC000171699324 335074949 /nfs/dbraw/zinc/07/49/49/335074949.db2.gz GNFVCCGMJBWKBO-ZDUSSCGKSA-N 1 0 291.460 3.752 10 0 CHAERO [NH3+][C@@H](CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000037030537 260063268 /nfs/dbraw/zinc/06/32/68/260063268.db2.gz RPURGFKCSQYBEK-AWEZNQCLSA-N 1 0 292.741 3.508 10 0 CHAERO CCCC[C@H](CC)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037219623 260075406 /nfs/dbraw/zinc/07/54/06/260075406.db2.gz YFBJQFMMDBSJOZ-HOCLYGCPSA-N 1 0 288.435 3.900 10 0 CHAERO CC(C)CCC[C@@H](C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037231894 260076677 /nfs/dbraw/zinc/07/66/77/260076677.db2.gz KCPYHBCHXUYBOV-ZBFHGGJFSA-N 1 0 288.435 3.899 10 0 CHAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000037307121 260082886 /nfs/dbraw/zinc/08/28/86/260082886.db2.gz HZFUDWGEXZKQSY-SNVBAGLBSA-N 1 0 274.751 3.612 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@H]2C[C@H]2C)sc1Br ZINC000307443061 260139889 /nfs/dbraw/zinc/13/98/89/260139889.db2.gz BCKVXXQORPNQIX-YEPSODPASA-N 1 0 274.227 3.878 10 0 CHAERO CCCCC1CCC(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000070176572 260153102 /nfs/dbraw/zinc/15/31/02/260153102.db2.gz OYNHFBHMWAAMTJ-ZGRYLRDCSA-N 1 0 294.483 3.569 10 0 CHAERO Cc1cccc(CC[C@H](C)[NH2+]Cc2ncccc2C)c1 ZINC000071339978 260161646 /nfs/dbraw/zinc/16/16/46/260161646.db2.gz BOSWHVWOSDFHCF-INIZCTEOSA-N 1 0 268.404 3.809 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)cc1Br)C1CC1 ZINC000095682696 260195559 /nfs/dbraw/zinc/19/55/59/260195559.db2.gz ZNEQDWLLLXQHNE-JTQLQIEISA-N 1 0 260.562 3.512 10 0 CHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000309877544 260196556 /nfs/dbraw/zinc/19/65/56/260196556.db2.gz UADBLGWRFDRULT-TVYUQYBPSA-N 1 0 255.814 3.885 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000222694237 260231219 /nfs/dbraw/zinc/23/12/19/260231219.db2.gz CYUUAGXFOQRDCG-JQWIXIFHSA-N 1 0 287.234 3.738 10 0 CHAERO Cc1noc(C)c1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000090736071 260261714 /nfs/dbraw/zinc/26/17/14/260261714.db2.gz YVVOJHBQKHOTPC-UHFFFAOYSA-N 1 0 290.794 3.981 10 0 CHAERO CCn1cccc1C[NH2+]CCCn1ccc2ccccc21 ZINC000091023109 260265210 /nfs/dbraw/zinc/26/52/10/260265210.db2.gz GJOYNEKABXYUHD-UHFFFAOYSA-N 1 0 281.403 3.643 10 0 CHAERO CCn1cccc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000091024711 260265321 /nfs/dbraw/zinc/26/53/21/260265321.db2.gz LWGPABQTBFHMHU-UHFFFAOYSA-N 1 0 274.330 3.719 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C)o1)CC2 ZINC000092835875 260272544 /nfs/dbraw/zinc/27/25/44/260272544.db2.gz ASKUFKVGRXTRFO-BLLLJJGKSA-N 1 0 271.360 3.935 10 0 CHAERO C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173647809 261167442 /nfs/dbraw/zinc/16/74/42/261167442.db2.gz UKGJDALPLICUPN-MLGOLLRUSA-N 1 0 289.810 3.972 10 0 CHAERO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000173779097 261169448 /nfs/dbraw/zinc/16/94/48/261169448.db2.gz KWDFXHRGSIQMFP-IAGOWNOFSA-N 1 0 295.430 3.885 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCc1ccccc1C ZINC000175911877 261252575 /nfs/dbraw/zinc/25/25/75/261252575.db2.gz DWXNZDLDWATYDZ-IBGZPJMESA-N 1 0 297.446 3.597 10 0 CHAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCCCC2(C)C)c2ccccc21 ZINC000094323023 261296437 /nfs/dbraw/zinc/29/64/37/261296437.db2.gz FJORMDOVTFDRDG-GOEBONIOSA-N 1 0 286.419 3.653 10 0 CHAERO CC[C@H](C)[N@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000104688124 261297843 /nfs/dbraw/zinc/29/78/43/261297843.db2.gz LBHKJXSKQKDOLB-LBPRGKRZSA-N 1 0 274.364 3.581 10 0 CHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000106225651 261323679 /nfs/dbraw/zinc/32/36/79/261323679.db2.gz JXXSRJCPIWYJPB-INIZCTEOSA-N 1 0 289.810 3.682 10 0 CHAERO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000177741507 261367664 /nfs/dbraw/zinc/36/76/64/261367664.db2.gz GHCVPHQLOWQGAQ-VHSXEESVSA-N 1 0 261.818 3.867 10 0 CHAERO Cc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000466426122 261405205 /nfs/dbraw/zinc/40/52/05/261405205.db2.gz OWRXKRZNTIVLFS-STQMWFEESA-N 1 0 281.827 3.942 10 0 CHAERO Clc1cccc(C2CC([NH2+]CC3CCOCC3)C2)c1 ZINC000111155305 261494770 /nfs/dbraw/zinc/49/47/70/261494770.db2.gz NJGXCYMWURKGBF-UHFFFAOYSA-N 1 0 279.811 3.602 10 0 CHAERO CC(C)(COCc1ccccc1)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000390254064 262166933 /nfs/dbraw/zinc/16/69/33/262166933.db2.gz VQVYOMJHSCARQM-SFHVURJKSA-N 1 0 295.426 3.911 10 0 CHAERO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000221582958 262284690 /nfs/dbraw/zinc/28/46/90/262284690.db2.gz NOIXTKXFLACKBH-HUUCEWRRSA-N 1 0 269.473 3.980 10 0 CHAERO CC(C)(CCCO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000221582891 262284774 /nfs/dbraw/zinc/28/47/74/262284774.db2.gz NOIXTKXFLACKBH-GJZGRUSLSA-N 1 0 269.473 3.980 10 0 CHAERO CC(C)(C)SCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000311733370 262339861 /nfs/dbraw/zinc/33/98/61/262339861.db2.gz PALOGSVXZLVWGP-KFWWJZLASA-N 1 0 285.497 3.534 10 0 CHAERO CCC1(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)COC1 ZINC000393983904 262444217 /nfs/dbraw/zinc/44/42/17/262444217.db2.gz IJHFISUDGXXFLT-ZIAGYGMSSA-N 1 0 253.430 3.608 10 0 CHAERO COC[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000093248880 263512427 /nfs/dbraw/zinc/51/24/27/263512427.db2.gz LPADXPXNCPNAOK-KXBFYZLASA-N 1 0 283.415 3.957 10 0 CHAERO CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000094949313 265277727 /nfs/dbraw/zinc/27/77/27/265277727.db2.gz CGVWVZKZYADEFI-QLFBSQMISA-N 1 0 255.446 3.590 10 0 CHAERO c1csc(N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)c1 ZINC000168418608 266666018 /nfs/dbraw/zinc/66/60/18/266666018.db2.gz BTBXCYQPGXMFGO-QGZVFWFLSA-N 1 0 298.455 3.994 10 0 CHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000361941129 266907723 /nfs/dbraw/zinc/90/77/23/266907723.db2.gz XGMBGCHWZGEEAL-OXHMUOHRSA-N 1 0 257.349 3.509 10 0 CHAERO Fc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116293014 267137747 /nfs/dbraw/zinc/13/77/47/267137747.db2.gz OUHRBDIVNJAKLC-OAHLLOKOSA-N 1 0 275.323 3.635 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)[C@H]1C[C@@H]1c1cccs1 ZINC000370280151 267307109 /nfs/dbraw/zinc/30/71/09/267307109.db2.gz UGXSTNQXAABPPE-AMMHQNNLSA-N 1 0 291.460 3.787 10 0 CHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000119280546 267314494 /nfs/dbraw/zinc/31/44/94/267314494.db2.gz UYRFLFZVSFHQQB-MRXNPFEDSA-N 1 0 275.440 3.754 10 0 CHAERO CC[C@H](C)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000119589036 267346389 /nfs/dbraw/zinc/34/63/89/267346389.db2.gz OBEDWSLFPFICDK-AAEUAGOBSA-N 1 0 252.427 3.677 10 0 CHAERO Cc1cccc(C[NH2+]CCCCCOc2ccccc2)n1 ZINC000187674088 327719310 /nfs/dbraw/zinc/71/93/10/327719310.db2.gz BVKULDUQPFMVEO-UHFFFAOYSA-N 1 0 284.403 3.729 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000397587052 327832566 /nfs/dbraw/zinc/83/25/66/327832566.db2.gz AVHXDDZYXTXFIE-IJEWVQPXSA-N 1 0 261.409 3.616 10 0 CHAERO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000040773643 328018109 /nfs/dbraw/zinc/01/81/09/328018109.db2.gz KMGVEAGYJHXZDK-HOCLYGCPSA-N 1 0 271.404 3.897 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(Cl)s1 ZINC000223851019 329240669 /nfs/dbraw/zinc/24/06/69/329240669.db2.gz UZJBHOVRNOVANW-HBNTYKKESA-N 1 0 273.829 3.603 10 0 CHAERO Clc1cccc(C2CC([NH2+]Cc3ccncc3)C2)c1 ZINC000036843858 326829370 /nfs/dbraw/zinc/82/93/70/326829370.db2.gz ANLYKLSBRXYTJM-UHFFFAOYSA-N 1 0 272.779 3.771 10 0 CHAERO Cc1cccc(C2CC([NH2+][C@H](C)c3cccnc3)C2)c1 ZINC000036843460 326829397 /nfs/dbraw/zinc/82/93/97/326829397.db2.gz UJTUKCQMPXXIQT-RWBZWWBESA-N 1 0 266.388 3.987 10 0 CHAERO CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000037619869 326857345 /nfs/dbraw/zinc/85/73/45/326857345.db2.gz YTFXEILMUVFJJE-WMLDXEAASA-N 1 0 290.451 3.580 10 0 CHAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036959787 326878299 /nfs/dbraw/zinc/87/82/99/326878299.db2.gz GZCRXJSIKXJXKA-UONOGXRCSA-N 1 0 290.451 3.549 10 0 CHAERO CC(C)C(C[NH2+]CC1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000556413566 326940127 /nfs/dbraw/zinc/94/01/27/326940127.db2.gz NVSUDBNPRFLBKL-ZIAGYGMSSA-N 1 0 255.446 3.708 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000090175503 327031854 /nfs/dbraw/zinc/03/18/54/327031854.db2.gz YWUNTXVGAQDZGF-YSVLISHTSA-N 1 0 269.392 3.712 10 0 CHAERO CCCn1ccc(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000091009778 327164974 /nfs/dbraw/zinc/16/49/74/327164974.db2.gz UERCTBDUSZPBBM-HNNXBMFYSA-N 1 0 256.393 3.791 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000051990352 328637382 /nfs/dbraw/zinc/63/73/82/328637382.db2.gz DRFNRLMJOWWCDX-RBUKOAKNSA-N 1 0 281.399 3.747 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000300413437 332814778 /nfs/dbraw/zinc/81/47/78/332814778.db2.gz CIRATYXCULKFKT-FRFSOERESA-N 1 0 261.409 3.795 10 0 CHAERO C[NH2+][C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 ZINC000053203335 328664051 /nfs/dbraw/zinc/66/40/51/328664051.db2.gz JUFVORPSLFIMSE-LLVKDONJSA-N 1 0 294.851 3.739 10 0 CHAERO CCCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000324596310 328760783 /nfs/dbraw/zinc/76/07/83/328760783.db2.gz GZEHJMFNHUCMTI-CZUORRHYSA-N 1 0 263.425 3.697 10 0 CHAERO O=C(c1ccc(Cl)cc1)C1CC[NH+](C2CCC2)CC1 ZINC000178984452 329203485 /nfs/dbraw/zinc/20/34/85/329203485.db2.gz CNAXOKUQRXAJRX-UHFFFAOYSA-N 1 0 277.795 3.787 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccco1 ZINC000180014362 329214611 /nfs/dbraw/zinc/21/46/11/329214611.db2.gz CMAUVZHQZWLLRA-UONOGXRCSA-N 1 0 270.376 3.554 10 0 CHAERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccsc1 ZINC000180399945 329215892 /nfs/dbraw/zinc/21/58/92/329215892.db2.gz NJPAYMFBPMUEDG-FZMZJTMJSA-N 1 0 286.400 3.525 10 0 CHAERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cccs1 ZINC000180397107 329215897 /nfs/dbraw/zinc/21/58/97/329215897.db2.gz HPWZMNNXGDAPND-DGCLKSJQSA-N 1 0 286.400 3.525 10 0 CHAERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1 ZINC000180885212 329223768 /nfs/dbraw/zinc/22/37/68/329223768.db2.gz NHGXFHRILDZQDT-WBMJQRKESA-N 1 0 298.361 3.602 10 0 CHAERO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccc(CO)cc2)o1 ZINC000182808405 329242138 /nfs/dbraw/zinc/24/21/38/329242138.db2.gz RHVWQCWWOXCVHU-QGZVFWFLSA-N 1 0 285.387 3.808 10 0 CHAERO C[C@H]1c2cccn2CC[N@H+]1CCC(Cl)(Cl)Cl ZINC000184412843 329257696 /nfs/dbraw/zinc/25/76/96/329257696.db2.gz HGCFXGLULJJBDN-VIFPVBQESA-N 1 0 281.614 3.625 10 0 CHAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000063191512 329373714 /nfs/dbraw/zinc/37/37/14/329373714.db2.gz JXDTZOWGTARQKP-IINYFYTJSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000063191942 329373886 /nfs/dbraw/zinc/37/38/86/329373886.db2.gz OLUXBFPZVRAKRP-YGRLFVJLSA-N 1 0 287.234 3.695 10 0 CHAERO Cc1cccc2nc(C3CC[NH+](Cc4cc[nH]c4)CC3)oc21 ZINC000188884651 329374121 /nfs/dbraw/zinc/37/41/21/329374121.db2.gz YUPNLKCSZBGUNA-UHFFFAOYSA-N 1 0 295.386 3.844 10 0 CHAERO Cc1cccc(N2CCC([NH2+][C@H]3CCC34CCCC4)CC2)n1 ZINC000189126838 329378167 /nfs/dbraw/zinc/37/81/67/329378167.db2.gz GQVCNLZQEICKGM-KRWDZBQOSA-N 1 0 299.462 3.671 10 0 CHAERO C[C@@H](O)CC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000085982607 329396649 /nfs/dbraw/zinc/39/66/49/329396649.db2.gz RZXNTFKNDLATGW-SFYZADRCSA-N 1 0 280.170 3.554 10 0 CHAERO Cc1cccc(N2CCC([NH2+][C@@H](C)C3CCCC3)CC2)n1 ZINC000128223059 329606228 /nfs/dbraw/zinc/60/62/28/329606228.db2.gz RXJXMGQPXGOIMV-HNNXBMFYSA-N 1 0 287.451 3.527 10 0 CHAERO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccncc3)C2)cc1 ZINC000245542894 329706234 /nfs/dbraw/zinc/70/62/34/329706234.db2.gz QHBHQHGLPMVQFH-AEFFLSMTSA-N 1 0 295.430 3.710 10 0 CHAERO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000400481708 329727920 /nfs/dbraw/zinc/72/79/20/329727920.db2.gz WJLKQWYJHWIXEB-PKFCDNJMSA-N 1 0 287.234 3.785 10 0 CHAERO C[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@@H]1C[NH3+] ZINC000070175523 329855439 /nfs/dbraw/zinc/85/54/39/329855439.db2.gz FARPCYNHLWPDOL-ZWNOBZJWSA-N 1 0 287.234 3.553 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cc(C)ccc1OC ZINC000246527842 329866912 /nfs/dbraw/zinc/86/69/12/329866912.db2.gz VCSROBICBJHAAP-XIRDDKMYSA-N 1 0 291.435 3.595 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc(F)c1 ZINC000248760645 329898842 /nfs/dbraw/zinc/89/88/42/329898842.db2.gz VYRDOYULOPHTPQ-UGGSBELWSA-N 1 0 293.357 3.573 10 0 CHAERO C[C@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@H]1C[NH3+] ZINC000252093393 329937767 /nfs/dbraw/zinc/93/77/67/329937767.db2.gz FARPCYNHLWPDOL-GWCFXTLKSA-N 1 0 287.234 3.553 10 0 CHAERO CC(C)c1ccsc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000261721058 329979487 /nfs/dbraw/zinc/97/94/87/329979487.db2.gz JPISVJPFTFNCQU-UHFFFAOYSA-N 1 0 277.393 3.650 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000272180675 330084992 /nfs/dbraw/zinc/08/49/92/330084992.db2.gz ZBMGCBMZBLWFOU-SCVCMEIPSA-N 1 0 271.763 3.697 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC2=CCCCC2)c1C ZINC000379586188 330139421 /nfs/dbraw/zinc/13/94/21/330139421.db2.gz IWKAULPFFWQVIO-LBPRGKRZSA-N 1 0 261.413 3.671 10 0 CHAERO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000036920881 330313840 /nfs/dbraw/zinc/31/38/40/330313840.db2.gz LQDWLESWAAAMLS-CVEARBPZSA-N 1 0 277.456 3.731 10 0 CHAERO Cc1ccccc1[C@@H](NCCC[NH+](C)C)c1ccccc1 ZINC000105689712 330327942 /nfs/dbraw/zinc/32/79/42/330327942.db2.gz BIPIABRNRKFERM-IBGZPJMESA-N 1 0 282.431 3.626 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000045094452 330338485 /nfs/dbraw/zinc/33/84/85/330338485.db2.gz FLXPZJAMKZECTG-HZPDHXFCSA-N 1 0 277.456 3.858 10 0 CHAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CCOCC2)CC1 ZINC000086946963 330371304 /nfs/dbraw/zinc/37/13/04/330371304.db2.gz FYLLQUPGFVBOEK-HZPDHXFCSA-N 1 0 253.430 3.608 10 0 CHAERO CCCn1ccc(C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000091015857 330397957 /nfs/dbraw/zinc/39/79/57/330397957.db2.gz HAAUQBAHLNTOJH-UHFFFAOYSA-N 1 0 268.813 3.903 10 0 CHAERO O[C@H]1CCCC[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000085969119 330492992 /nfs/dbraw/zinc/49/29/92/330492992.db2.gz OQEZFASVQILXCS-DXCHVLGVSA-N 1 0 293.838 3.727 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085967839 330493039 /nfs/dbraw/zinc/49/30/39/330493039.db2.gz GYFZOCRILJQVOM-ZVZYQTTQSA-N 1 0 291.435 3.677 10 0 CHAERO C[C@H]1OCC[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000426293188 330502974 /nfs/dbraw/zinc/50/29/74/330502974.db2.gz XRBKBIAGWHPFJZ-CCGTUFIJSA-N 1 0 273.420 3.654 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000153806381 330649241 /nfs/dbraw/zinc/64/92/41/330649241.db2.gz IUXFZVQGYFOCCI-LNSITVRQSA-N 1 0 267.800 3.542 10 0 CHAERO CCCn1cc(C[NH2+][C@H]2CCCc3c(F)cccc32)cn1 ZINC000449352986 330917955 /nfs/dbraw/zinc/91/79/55/330917955.db2.gz XNQVZEMLSNJOCP-KRWDZBQOSA-N 1 0 287.382 3.599 10 0 CHAERO CCC1([NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000379724439 330951574 /nfs/dbraw/zinc/95/15/74/330951574.db2.gz PVPRGVFMTPRZHH-ZIAGYGMSSA-N 1 0 296.455 3.554 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]CC1(O)CCC1)c1ccccc1 ZINC000166051561 331306547 /nfs/dbraw/zinc/30/65/47/331306547.db2.gz PXIPESLWECVDLH-SFHVURJKSA-N 1 0 281.399 3.589 10 0 CHAERO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000166174395 331306667 /nfs/dbraw/zinc/30/66/67/331306667.db2.gz MSADWQSDGLRFJH-ZDUSSCGKSA-N 1 0 280.481 3.749 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000466423544 331395552 /nfs/dbraw/zinc/39/55/52/331395552.db2.gz ATTAVNANJMVMMB-UMVBOHGHSA-N 1 0 253.430 3.748 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]CC2CCCCCC2)C[C@H](C)O1 ZINC000466410158 331395620 /nfs/dbraw/zinc/39/56/20/331395620.db2.gz PAHCXLVNBLKCED-MIFYACCESA-N 1 0 253.430 3.750 10 0 CHAERO CCc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000466411656 331395676 /nfs/dbraw/zinc/39/56/76/331395676.db2.gz DSJOYHRQEASRPS-KBPBESRZSA-N 1 0 261.409 3.542 10 0 CHAERO C[C@@H]1CC(C[NH2+]CC2CCC(C)(C)CC2)C[C@@H](C)O1 ZINC000466424275 331396523 /nfs/dbraw/zinc/39/65/23/331396523.db2.gz DNKKVMLWTKZBMM-ZIAGYGMSSA-N 1 0 267.457 3.996 10 0 CHAERO CS[C@H]1CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466454091 331397604 /nfs/dbraw/zinc/39/76/04/331397604.db2.gz VQMCYNKTVGNCGZ-HCWSGVFWSA-N 1 0 281.387 3.839 10 0 CHAERO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)[C@@H]1CCCCO1 ZINC000466471174 331397968 /nfs/dbraw/zinc/39/79/68/331397968.db2.gz RIKBLRLTQPZVKH-ABXWRUBCSA-N 1 0 293.373 3.902 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000467434592 331419041 /nfs/dbraw/zinc/41/90/41/331419041.db2.gz VSIHIOCDZVQUAW-KKUMJFAQSA-N 1 0 261.409 3.849 10 0 CHAERO C[C@H]1CC(C[NH2+]C2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000467439703 331419442 /nfs/dbraw/zinc/41/94/42/331419442.db2.gz XDBGUJKUAYSMNT-BCVKRFQSSA-N 1 0 293.373 3.901 10 0 CHAERO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)c2ccsc2S1 ZINC000250913431 334353239 /nfs/dbraw/zinc/35/32/39/334353239.db2.gz WHHXHTUWPOLUNK-UZGDPCLZSA-N 1 0 297.489 3.814 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3C)C2)c1 ZINC000248183721 334296798 /nfs/dbraw/zinc/29/67/98/334296798.db2.gz WXVVIOKKAZJZGL-IAGOWNOFSA-N 1 0 283.419 3.898 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000503556241 332691903 /nfs/dbraw/zinc/69/19/03/332691903.db2.gz BXNRDOKUDTWYIL-CRWXNKLISA-N 1 0 265.372 3.680 10 0 CHAERO C[C@H]([NH2+][C@H]1CCc2ccc(Br)cc21)C1CC1 ZINC000304244001 332968401 /nfs/dbraw/zinc/96/84/01/332968401.db2.gz OPLOHMPDSXPXPX-XPTSAGLGSA-N 1 0 280.209 3.825 10 0 CHAERO C[C@@H]1C[C@H]1Nc1ccnc2c(Br)cccc12 ZINC000309794769 333049647 /nfs/dbraw/zinc/04/96/47/333049647.db2.gz PWYHMSCKTWJHPK-PRHODGIISA-N 1 0 277.165 3.818 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c1C ZINC000218808533 333136537 /nfs/dbraw/zinc/13/65/37/333136537.db2.gz DYOLCZFMCCPWMH-XUJVJEKNSA-N 1 0 263.429 3.749 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]C2CC(c3ccccc3C)C2)o1 ZINC000220948467 333171227 /nfs/dbraw/zinc/17/12/27/333171227.db2.gz XGXLQZUNCCKANN-NFOMZHRRSA-N 1 0 270.376 3.888 10 0 CHAERO COCCC1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000222326344 333190982 /nfs/dbraw/zinc/19/09/82/333190982.db2.gz CLLVWWMXMSRLCM-LSDHHAIUSA-N 1 0 267.457 3.998 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000223254892 333206014 /nfs/dbraw/zinc/20/60/14/333206014.db2.gz CNARVCNUNSVFNU-IAGOWNOFSA-N 1 0 275.436 3.873 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2cccs2)N(C)C)C1 ZINC000227188507 333277904 /nfs/dbraw/zinc/27/79/04/333277904.db2.gz YTPRATPLXXRGFP-MGPQQGTHSA-N 1 0 266.454 3.519 10 0 CHAERO C[C@@H](O)CCC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000228029096 333293134 /nfs/dbraw/zinc/29/31/34/333293134.db2.gz ZCTVPWOQJJSTIT-BDAKNGLRSA-N 1 0 294.197 3.944 10 0 CHAERO Cc1cc(C)cc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000229397401 333304493 /nfs/dbraw/zinc/30/44/93/333304493.db2.gz RGLLTNJESAHHHG-UHFFFAOYSA-N 1 0 274.408 3.541 10 0 CHAERO CC(C)CCC[C@@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000229405472 333304497 /nfs/dbraw/zinc/30/44/97/333304497.db2.gz PPPNATJKFQZMLU-OAHLLOKOSA-N 1 0 282.472 3.617 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1C ZINC000250440624 333305326 /nfs/dbraw/zinc/30/53/26/333305326.db2.gz BDOQRKPUMGSQKO-NFFDBFGFSA-N 1 0 277.456 3.995 10 0 CHAERO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231528605 333325793 /nfs/dbraw/zinc/32/57/93/333325793.db2.gz QPJZRLIJHDSSOH-DZGCQCFKSA-N 1 0 258.365 3.655 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1=CCOCC1 ZINC000397727603 333427790 /nfs/dbraw/zinc/42/77/90/333427790.db2.gz ARADTNPJVKZAPA-HUUCEWRRSA-N 1 0 251.414 3.528 10 0 CHAERO Cc1sccc1C[NH2+][C@@H](C)COCc1ccccc1 ZINC000339287741 335142947 /nfs/dbraw/zinc/14/29/47/335142947.db2.gz YQKFFNYLIFKDCZ-ZDUSSCGKSA-N 1 0 275.417 3.751 10 0 CHAERO COc1ccc([C@H]([NH2+]CCc2ccco2)C2CC2)cc1 ZINC000037259051 333525638 /nfs/dbraw/zinc/52/56/38/333525638.db2.gz ILHKMFMYMFJKDY-QGZVFWFLSA-N 1 0 271.360 3.572 10 0 CHAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)c1 ZINC000124096759 333556063 /nfs/dbraw/zinc/55/60/63/333556063.db2.gz VFUVTYPHBRCBGL-HNNXBMFYSA-N 1 0 295.386 3.802 10 0 CHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC1CCOCC1 ZINC000126155603 333591566 /nfs/dbraw/zinc/59/15/66/333591566.db2.gz CAPSMYQJCBUTHP-KRWDZBQOSA-N 1 0 273.420 3.716 10 0 CHAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)nc1 ZINC000126930408 333613856 /nfs/dbraw/zinc/61/38/56/333613856.db2.gz NCUGBGQJXBYZEP-LLVKDONJSA-N 1 0 262.303 3.519 10 0 CHAERO COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000245641432 334209947 /nfs/dbraw/zinc/20/99/47/334209947.db2.gz DNZABTPKPNHLED-BEFAXECRSA-N 1 0 298.430 3.974 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C12CCCC2 ZINC000247082264 334275529 /nfs/dbraw/zinc/27/55/29/334275529.db2.gz ZHRJCWUKCALUAG-KBRIMQKVSA-N 1 0 289.419 3.781 10 0 CHAERO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248145341 334295953 /nfs/dbraw/zinc/29/59/53/334295953.db2.gz QCIQGPCLUAKKIO-KMFMINBZSA-N 1 0 277.383 3.514 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C2CCCCC2)C12CCOCC2 ZINC000249042036 334325673 /nfs/dbraw/zinc/32/56/73/334325673.db2.gz VEOMZYKEFLTDDX-DJIMGWMZSA-N 1 0 295.467 3.519 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC000249349864 334332391 /nfs/dbraw/zinc/33/23/91/334332391.db2.gz WHLUCBATTUTNEK-LEWSCRJBSA-N 1 0 287.325 3.660 10 0 CHAERO C[NH2+][C@@H]1CCCN([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000251230349 334358530 /nfs/dbraw/zinc/35/85/30/334358530.db2.gz AXUPDGMKYOZXCR-RHSMWYFYSA-N 1 0 274.452 3.729 10 0 CHAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252101315 334373720 /nfs/dbraw/zinc/37/37/20/334373720.db2.gz GHXVJLJAGPWIML-UICACZKSSA-N 1 0 259.393 3.925 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C)c1 ZINC000157292164 334766148 /nfs/dbraw/zinc/76/61/48/334766148.db2.gz YZPLEASRDZMTDC-OAHLLOKOSA-N 1 0 282.387 3.593 10 0 CHAERO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000157648462 334779039 /nfs/dbraw/zinc/77/90/39/334779039.db2.gz VWNPWTNPKYEKBV-VXGBXAGGSA-N 1 0 295.789 3.805 10 0 CHAERO C[C@H](Nc1cccc(-c2nccs2)c1)[C@H]1CCC[NH2+]C1 ZINC000568605644 334832240 /nfs/dbraw/zinc/83/22/40/334832240.db2.gz BHKDYMBEXUFRHS-JSGCOSHPSA-N 1 0 287.432 3.610 10 0 CHAERO Cc1ccc(CCC[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000181653184 335776499 /nfs/dbraw/zinc/77/64/99/335776499.db2.gz ZNGLDEVVKXBLOA-UHFFFAOYSA-N 1 0 297.446 3.541 10 0 CHAERO Oc1ccc2c(c1)[C@H]([NH2+]CCOCc1ccccc1)CCC2 ZINC000361009466 335839177 /nfs/dbraw/zinc/83/91/77/335839177.db2.gz KJIAYERSCUOHDV-LJQANCHMSA-N 1 0 297.398 3.576 10 0 CHAERO Cc1csc([C@H]2CCC[N@H+](CC3CCCC3)C2)n1 ZINC000195441142 336053787 /nfs/dbraw/zinc/05/37/87/336053787.db2.gz IEICSBXCSLIANF-AWEZNQCLSA-N 1 0 264.438 3.821 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H]1C=CCCCCC1 ZINC000383499405 336111007 /nfs/dbraw/zinc/11/10/07/336111007.db2.gz ZMYJGFCJGAZNSI-XWTMOSNGSA-N 1 0 277.452 3.891 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)c1C ZINC000384454437 336124675 /nfs/dbraw/zinc/12/46/75/336124675.db2.gz ASKFVKXDIPWLKX-VXGBXAGGSA-N 1 0 265.445 3.995 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@H+](CCC1=CCCCC1)CC2 ZINC000385153867 336141065 /nfs/dbraw/zinc/14/10/65/336141065.db2.gz KNBPWNDBUOCKCZ-IRXDYDNUSA-N 1 0 263.425 3.504 10 0 CHAERO CC(C)[NH2+]C[C@H](OCC1CC1)c1ccccc1Cl ZINC000050485231 519724816 /nfs/dbraw/zinc/72/48/16/519724816.db2.gz UCPBCVSLEDOWQA-HNNXBMFYSA-N 1 0 267.800 3.806 10 0 CHAERO CC(C)C[NH2+]Cc1nc2ccccc2n1C(C)(C)C ZINC000062742438 519748727 /nfs/dbraw/zinc/74/87/27/519748727.db2.gz VSIQPKJXIHRLBU-UHFFFAOYSA-N 1 0 259.397 3.537 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000049195089 519793778 /nfs/dbraw/zinc/79/37/78/519793778.db2.gz HSTFWLYHZHJUFQ-CQSZACIVSA-N 1 0 289.250 3.669 10 0 CHAERO CC[NH2+]C[C@@H](CC)Cc1cccc(C(F)(F)F)c1 ZINC000052973053 519944061 /nfs/dbraw/zinc/94/40/61/519944061.db2.gz SWFKQIQBWPAYEK-NSHDSACASA-N 1 0 259.315 3.884 10 0 CHAERO CCC[NH2+][C@@H](C)c1cnc(N2CCCCCCC2)s1 ZINC000054901975 519990387 /nfs/dbraw/zinc/99/03/87/519990387.db2.gz CGQUKQFXIDNRLO-ZDUSSCGKSA-N 1 0 281.469 3.974 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(-c2cccc(F)c2F)o1 ZINC000052924555 520074356 /nfs/dbraw/zinc/07/43/56/520074356.db2.gz BILYKTFSZYMUEM-VIFPVBQESA-N 1 0 251.276 3.895 10 0 CHAERO CCCCCC[N@@H+]1C[C@@H](C)NC[C@@H]1c1ccccc1 ZINC000062657401 520079792 /nfs/dbraw/zinc/07/97/92/520079792.db2.gz QALXEBRFMFPQJU-NVXWUHKLSA-N 1 0 260.425 3.602 10 0 CHAERO CCC[NH2+][C@H](Cc1nc(C)cs1)Cc1ccccc1 ZINC000055269263 520089168 /nfs/dbraw/zinc/08/91/68/520089168.db2.gz GDWIZPBIIFBCEZ-HNNXBMFYSA-N 1 0 274.433 3.605 10 0 CHAERO CC[NH2+][C@H]1CCCC[C@H]1CCCOCC(F)(F)F ZINC000049312867 520214075 /nfs/dbraw/zinc/21/40/75/520214075.db2.gz MYWMJENIBVHXQI-RYUDHWBXSA-N 1 0 267.335 3.514 10 0 CHAERO CCNc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000061639095 520308465 /nfs/dbraw/zinc/30/84/65/520308465.db2.gz YUVJHODTRWPSTN-NEPJUHHUSA-N 1 0 281.831 3.787 10 0 CHAERO CCC(C)(C)OCc1c2ccccc2oc1C[NH2+]C ZINC000052630505 521360000 /nfs/dbraw/zinc/36/00/00/521360000.db2.gz HRNPUXWNMGAZKO-UHFFFAOYSA-N 1 0 261.365 3.857 10 0 CHAERO CCCN(CC)c1ncc(C[NH2+]C(C)(C)C)cc1Cl ZINC000051440337 521618984 /nfs/dbraw/zinc/61/89/84/521618984.db2.gz YONHHHZYRCWVQE-UHFFFAOYSA-N 1 0 283.847 3.859 10 0 CHAERO C[NH2+][C@H](Cc1csc(CSC)n1)c1ccccc1 ZINC000054497002 522475745 /nfs/dbraw/zinc/47/57/45/522475745.db2.gz HMRSQGDURVCIBT-CYBMUJFWSA-N 1 0 278.446 3.509 10 0 CHAERO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)c1cccs1 ZINC000055482960 518629328 /nfs/dbraw/zinc/62/93/28/518629328.db2.gz HOTNZBLFSWGMOT-NSHDSACASA-N 1 0 255.427 3.586 10 0 CHAERO CC(C)(C)[NH2+]CCCCOc1ccc2c(c1)CCC2 ZINC000052693187 518755969 /nfs/dbraw/zinc/75/59/69/518755969.db2.gz SXUBIUCTVBRTBB-UHFFFAOYSA-N 1 0 261.409 3.722 10 0 CHAERO CC(C)C[C@H]1CN[C@@H](C(C)C)C[N@@H+]1C1CCCCC1 ZINC000062663216 519414381 /nfs/dbraw/zinc/41/43/81/519414381.db2.gz GYKUNEHVVSUGLH-DLBZAZTESA-N 1 0 266.473 3.664 10 0 CHAERO CC(C)[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062671218 519695001 /nfs/dbraw/zinc/69/50/01/519695001.db2.gz NPMJBVQAEFZYPU-RBUKOAKNSA-N 1 0 280.415 3.783 10 0 CHAERO CC(C)[NH2+]CCCn1ccc2ccc(Cl)cc21 ZINC000053529124 519721583 /nfs/dbraw/zinc/72/15/83/519721583.db2.gz BGACYCNCZZZMPS-UHFFFAOYSA-N 1 0 250.773 3.683 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2cccc(Cl)c2Cl)C1 ZINC000053013037 519723567 /nfs/dbraw/zinc/72/35/67/519723567.db2.gz RVIYEXKZEREECY-NSHDSACASA-N 1 0 287.234 3.818 10 0 CHAERO CC(C)[NH2+]C[C@]1(OC2CCCC2)CCC[C@H](C)C1 ZINC000050504147 519726267 /nfs/dbraw/zinc/72/62/67/519726267.db2.gz BQNZWXYVNOYZJE-HOCLYGCPSA-N 1 0 253.430 3.893 10 0 CHAERO CC(C)[NH2+]Cc1ccccc1COCc1cccs1 ZINC000052706527 519727863 /nfs/dbraw/zinc/72/78/63/519727863.db2.gz TYUCNMNTNBTHDA-UHFFFAOYSA-N 1 0 275.417 3.963 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@@]1(C)c1ccccc1Br ZINC000054598109 519745197 /nfs/dbraw/zinc/74/51/97/519745197.db2.gz DNYIWEPISIBRIF-SWLSCSKDSA-N 1 0 296.252 3.972 10 0 CHAERO CC(C)C[NH2+]Cc1ccc(CO[C@@H](C)CC(C)C)o1 ZINC000052603353 519746965 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ZINC000054561577 519859308 /nfs/dbraw/zinc/85/93/08/519859308.db2.gz CBBCUOFWYXIMQJ-ZACQAIPSSA-N 1 0 267.457 3.542 10 0 CHAERO CCC1CC[NH+]([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024941 519859529 /nfs/dbraw/zinc/85/95/29/519859529.db2.gz ZTTRXUNLKZQEGL-HNNXBMFYSA-N 1 0 276.449 3.526 10 0 CHAERO CCCC1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000050893059 519903092 /nfs/dbraw/zinc/90/30/92/519903092.db2.gz DNXFHHIFGQMVGR-MRXNPFEDSA-N 1 0 280.843 3.852 10 0 CHAERO CCC[NH2+]CC1(OCc2ccccc2)CCCCC1 ZINC000050488056 519910705 /nfs/dbraw/zinc/91/07/05/519910705.db2.gz DHNHIPNZTGTIMZ-UHFFFAOYSA-N 1 0 261.409 3.906 10 0 CHAERO CCC[NH2+]C[C@@H](CC)O[C@H]1CCCc2ccccc21 ZINC000052627869 519921252 /nfs/dbraw/zinc/92/12/52/519921252.db2.gz GXEYCTYIXWEFAQ-WBVHZDCISA-N 1 0 261.409 3.859 10 0 CHAERO CC(C)n1c2c(cccc2Cl)nc1[C@@H]([NH3+])C1CC1 ZINC000054502121 519924845 /nfs/dbraw/zinc/92/48/45/519924845.db2.gz FHMPVJRSAIUQBD-LBPRGKRZSA-N 1 0 263.772 3.680 10 0 CHAERO CCC[NH2+]Cc1cnc(N(C)[C@H](C)CC(C)C)s1 ZINC000054908889 519961322 /nfs/dbraw/zinc/96/13/22/519961322.db2.gz HWDMXMBGLRBLIL-GFCCVEGCSA-N 1 0 269.458 3.514 10 0 CHAERO CCC[NH2+]Cc1cnc(N(CCC)C2CC2)c(Cl)c1 ZINC000051440542 519962577 /nfs/dbraw/zinc/96/25/77/519962577.db2.gz VNUQAYQJVBZYRM-UHFFFAOYSA-N 1 0 281.831 3.613 10 0 CHAERO CCC[NH2+]Cc1nc(CO[C@H](C)CC(C)C)cs1 ZINC000052603058 519968988 /nfs/dbraw/zinc/96/89/88/519968988.db2.gz VLQIFTJSWVXNIF-GFCCVEGCSA-N 1 0 270.442 3.594 10 0 CHAERO CC[NH2+]C[C@H](Oc1cc(C)ccc1Cl)C(C)C ZINC000052697205 519975968 /nfs/dbraw/zinc/97/59/68/519975968.db2.gz NPXVLHHPNAZDPY-AWEZNQCLSA-N 1 0 255.789 3.661 10 0 CHAERO CCC[NH2+][C@@H](CC)c1cccc(-c2cncnc2)c1 ZINC000052886582 519993482 /nfs/dbraw/zinc/99/34/82/519993482.db2.gz OMRLBNTUSHIQLY-INIZCTEOSA-N 1 0 255.365 3.594 10 0 CHAERO CC[NH2+]Cc1cccnc1Oc1ccccc1CC ZINC000051570932 520009961 /nfs/dbraw/zinc/00/99/61/520009961.db2.gz MMSCVLOGYSGJFC-UHFFFAOYSA-N 1 0 256.349 3.546 10 0 CHAERO CCOCCOc1ccc(Cl)cc1C[NH2+]CC(C)C ZINC000062730910 520039449 /nfs/dbraw/zinc/03/94/49/520039449.db2.gz RBALFORMFDAENU-UHFFFAOYSA-N 1 0 285.815 3.501 10 0 CHAERO CCOCC[C@@H](C[NH2+]C1CC1)Cc1ccccc1Cl ZINC000052979721 520063769 /nfs/dbraw/zinc/06/37/69/520063769.db2.gz BNYYYBYGLSOBQV-CYBMUJFWSA-N 1 0 281.827 3.677 10 0 CHAERO CC[NH2+][C@@H](C)c1c(C)nn(CCC(C)(C)C)c1C ZINC000054718282 520073764 /nfs/dbraw/zinc/07/37/64/520073764.db2.gz OKKPGBZBHJZFLB-NSHDSACASA-N 1 0 251.418 3.607 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCC=C(C)C ZINC000062746940 520075967 /nfs/dbraw/zinc/07/59/67/520075967.db2.gz YNRKHIKZDXPQSA-LBPRGKRZSA-N 1 0 251.345 3.841 10 0 CHAERO CCCCCC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000157739402 520076926 /nfs/dbraw/zinc/07/69/26/520076926.db2.gz BZJNZQPZNYNNQX-OAHLLOKOSA-N 1 0 290.455 3.722 10 0 CHAERO CC[NH2+][C@@H](C)c1cnc(N2CCc3ccccc32)s1 ZINC000054899640 520079527 /nfs/dbraw/zinc/07/95/27/520079527.db2.gz PGUGXLFTQIFUHH-NSHDSACASA-N 1 0 273.405 3.508 10 0 CHAERO CCCCCC[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062657662 520080807 /nfs/dbraw/zinc/08/08/07/520080807.db2.gz CCAIXVCFJCARKV-KRWDZBQOSA-N 1 0 260.425 3.603 10 0 CHAERO CCC[NH2+][C@H](Cc1csc(C)n1)C[C@@H](C)CC ZINC000055296264 520088993 /nfs/dbraw/zinc/08/89/93/520088993.db2.gz UXYLQQCHJFNZND-AAEUAGOBSA-N 1 0 254.443 3.798 10 0 CHAERO CCCCCCOC[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052631247 520101186 /nfs/dbraw/zinc/10/11/86/520101186.db2.gz JVAMINCTBCJUQK-CABCVRRESA-N 1 0 271.445 3.519 10 0 CHAERO CCCCCN(C(C)C)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052544874 520148842 /nfs/dbraw/zinc/14/88/42/520148842.db2.gz HTHJKDKSBHKDKU-KRWDZBQOSA-N 1 0 262.441 3.848 10 0 CHAERO CC[NH2+][C@H](C[C@H]1CCCO1)c1cc2ccccc2o1 ZINC000062797924 520202589 /nfs/dbraw/zinc/20/25/89/520202589.db2.gz NFIGPBUZEXLDHZ-ZIAGYGMSSA-N 1 0 259.349 3.653 10 0 CHAERO CC[NH2+][C@H](Cc1cccs1)Cc1ccccc1C ZINC000052900631 520204722 /nfs/dbraw/zinc/20/47/22/520204722.db2.gz RJYHHVNCRKICNI-HNNXBMFYSA-N 1 0 259.418 3.820 10 0 CHAERO CC[NH2+][C@H](c1cccc(Cl)c1)c1cncc(F)c1 ZINC000049576266 520210757 /nfs/dbraw/zinc/21/07/57/520210757.db2.gz NHYJIWDIMFOOMQ-CQSZACIVSA-N 1 0 264.731 3.573 10 0 CHAERO CC[NH2+][C@H](c1cncc(F)c1)c1ccc(Cl)cc1F ZINC000062786437 520211185 /nfs/dbraw/zinc/21/11/85/520211185.db2.gz FDPJOJXTCOYWJS-CQSZACIVSA-N 1 0 282.721 3.712 10 0 CHAERO CCCCC[NH2+]C[C@H](C)Oc1ccc(F)c(F)c1 ZINC000053586794 520223541 /nfs/dbraw/zinc/22/35/41/520223541.db2.gz DKVFIQJQMRPWAU-NSHDSACASA-N 1 0 257.324 3.512 10 0 CHAERO CCC[C@@H](C)COc1c(Cl)cc(CC[NH3+])cc1OC ZINC000051322945 520632050 /nfs/dbraw/zinc/63/20/50/520632050.db2.gz AATYBLAGHRFQAR-LLVKDONJSA-N 1 0 285.815 3.665 10 0 CHAERO CCCC[NH2+]C[C@@H](C)Sc1ncnc2ccccc21 ZINC000053623324 520692590 /nfs/dbraw/zinc/69/25/90/520692590.db2.gz AVOSGLKZVVBIJS-GFCCVEGCSA-N 1 0 275.421 3.500 10 0 CHAERO CCC[C@@H](CCCCOCC(F)(F)F)[NH2+]CC ZINC000049312790 520695774 /nfs/dbraw/zinc/69/57/74/520695774.db2.gz ODCQKYOGMABEHS-NSHDSACASA-N 1 0 255.324 3.514 10 0 CHAERO CC1([NH2+]CCOc2cccc(Br)c2)CCCC1 ZINC000049596109 520765821 /nfs/dbraw/zinc/76/58/21/520765821.db2.gz KCIDJWKODYXGMB-UHFFFAOYSA-N 1 0 298.224 3.750 10 0 CHAERO CCC[C@@H]1CCC(=O)[C@H](C[NH+]2CCCCCC2)C1 ZINC000053925209 520815685 /nfs/dbraw/zinc/81/56/85/520815685.db2.gz FTCBBABZFICORU-CABCVRRESA-N 1 0 251.414 3.648 10 0 CHAERO CC1CCC(N(C)c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860119 520939065 /nfs/dbraw/zinc/93/90/65/520939065.db2.gz QHYAOMXUWUICFK-UHFFFAOYSA-N 1 0 279.815 3.639 10 0 CHAERO CCCC[C@@H](CC)Cn1nc(C)c([C@@H](C)[NH3+])c1C ZINC000054716545 521037074 /nfs/dbraw/zinc/03/70/74/521037074.db2.gz IUDISRXREYDKSA-BXUZGUMPSA-N 1 0 251.418 3.736 10 0 CHAERO CCCC[C@H]([NH2+]CCN(C)C(C)C)c1ccccc1 ZINC000054111319 521239232 /nfs/dbraw/zinc/23/92/32/521239232.db2.gz MURKPBDEXWSVPZ-KRWDZBQOSA-N 1 0 262.441 3.848 10 0 CHAERO CCC(C)(C)C1CCC([NH2+]Cc2cnc(C)[nH]2)CC1 ZINC000054821657 521278394 /nfs/dbraw/zinc/27/83/94/521278394.db2.gz YIBXJEBFIGFLEO-UHFFFAOYSA-N 1 0 263.429 3.803 10 0 CHAERO CCOc1cccc(-c2nc(C)c(C[NH2+]C3CC3)s2)c1 ZINC000052330902 521312535 /nfs/dbraw/zinc/31/25/35/521312535.db2.gz QGCNMLNIKZQFCA-UHFFFAOYSA-N 1 0 288.416 3.769 10 0 CHAERO CCC(C)(CC)[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000116359447 521383169 /nfs/dbraw/zinc/38/31/69/521383169.db2.gz CUAZJVUATITHJM-UHFFFAOYSA-N 1 0 274.412 3.681 10 0 CHAERO CCOc1cccc(O[C@H]([C@@H]([NH3+])CC)C(C)(C)C)c1 ZINC000051845539 521403663 /nfs/dbraw/zinc/40/36/63/521403663.db2.gz DYORLFRFNFXZSI-LSDHHAIUSA-N 1 0 265.397 3.616 10 0 CHAERO CCCc1ccc([C@]2([NH3+])CCc3ccccc32)cc1 ZINC000055241751 521420905 /nfs/dbraw/zinc/42/09/05/521420905.db2.gz WPEJIXQSWDDWEI-GOSISDBHSA-N 1 0 251.373 3.788 10 0 CHAERO CCOc1cccc([C@H]([NH3+])c2ccc(F)c(C)c2)c1 ZINC000055205064 521423119 /nfs/dbraw/zinc/42/31/19/521423119.db2.gz QVGSHVCKFMZQQE-INIZCTEOSA-N 1 0 259.324 3.581 10 0 CHAERO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000019903263 521572850 /nfs/dbraw/zinc/57/28/50/521572850.db2.gz HRPHPAGNZKDBJE-CQSZACIVSA-N 1 0 285.387 3.945 10 0 CHAERO CCCN(CC)[C@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000052448641 521614913 /nfs/dbraw/zinc/61/49/13/521614913.db2.gz GAWCFDBMNWZSEG-MRXNPFEDSA-N 1 0 262.441 3.848 10 0 CHAERO CCCN(CC)c1nc2c(s1)[C@@H]([NH2+]C)CC(C)(C)C2 ZINC000054902642 521618750 /nfs/dbraw/zinc/61/87/50/521618750.db2.gz DJPBLWDZYAGWPK-NSHDSACASA-N 1 0 281.469 3.612 10 0 CHAERO CCCn1cc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000116913150 521652949 /nfs/dbraw/zinc/65/29/49/521652949.db2.gz MNZCASYYIZGEAK-CHWSQXEVSA-N 1 0 289.345 3.504 10 0 CHAERO CCC1(C)CCN(CC[NH2+][C@H](C)c2cccs2)CC1 ZINC000062958820 521678639 /nfs/dbraw/zinc/67/86/39/521678639.db2.gz IBTVJXPAGCEQLE-CQSZACIVSA-N 1 0 280.481 3.911 10 0 CHAERO CCCN(c1nc(C)c(C[NH2+]C(C)(C)C)s1)C1CC1 ZINC000054996842 521697687 /nfs/dbraw/zinc/69/76/87/521697687.db2.gz JEIXWCDDZIGCTH-UHFFFAOYSA-N 1 0 281.469 3.718 10 0 CHAERO CCCN(c1nc(C)c([C@@H](C)[NH2+]CC)s1)C1CC1 ZINC000054902802 521697700 /nfs/dbraw/zinc/69/77/00/521697700.db2.gz CBNZUXDBDVPBCA-SNVBAGLBSA-N 1 0 267.442 3.501 10 0 CHAERO CCc1ccccc1OCc1ccccc1C[NH2+]C ZINC000052698682 521921915 /nfs/dbraw/zinc/92/19/15/521921915.db2.gz FMMWJVZULGEMAS-UHFFFAOYSA-N 1 0 255.361 3.547 10 0 CHAERO C[NH2+]Cc1ccc(Oc2ccc(F)cc2F)c(C)c1 ZINC000050562550 522124974 /nfs/dbraw/zinc/12/49/74/522124974.db2.gz IPBWFZDXNFTYDL-UHFFFAOYSA-N 1 0 263.287 3.785 10 0 CHAERO C[NH2+]Cc1ccoc1CO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629233 522144348 /nfs/dbraw/zinc/14/43/48/522144348.db2.gz RGJNICXRDMZEFZ-TZMCWYRMSA-N 1 0 265.397 3.730 10 0 CHAERO COc1cc(C[NH3+])cc(Cl)c1OCCC(C)(C)C ZINC000049240457 522363496 /nfs/dbraw/zinc/36/34/96/522363496.db2.gz FHUKIZNDHOOYKL-UHFFFAOYSA-N 1 0 271.788 3.622 10 0 CHAERO C[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3F)sc21 ZINC000051596230 522391135 /nfs/dbraw/zinc/39/11/35/522391135.db2.gz ZGPROIVLHMDBMA-GFCCVEGCSA-N 1 0 276.380 3.854 10 0 CHAERO CC[C@@H](C)c1ccc([C@@H](O)C[NH2+]C2CCCC2)cc1 ZINC000049849678 522431422 /nfs/dbraw/zinc/43/14/22/522431422.db2.gz PLDSXHPHQCSISQ-DYVFJYSZSA-N 1 0 261.409 3.766 10 0 CHAERO C[NH2+][C@H](c1ccsc1)c1ccccc1OC(F)(F)F ZINC000055223293 522485728 /nfs/dbraw/zinc/48/57/28/522485728.db2.gz OJYZZBNOORSHLA-GFCCVEGCSA-N 1 0 287.306 3.956 10 0 CHAERO CCc1[nH+]c2cc(N)ccc2n1[C@H]1CCC[C@@H](C)C1 ZINC000052852529 522490169 /nfs/dbraw/zinc/49/01/69/522490169.db2.gz RPFDRMCQJKVCEE-YPMHNXCESA-N 1 0 257.381 3.932 10 0 CHAERO CC[C@@H](C[NH2+]CC(C)C)N(CC)Cc1ccccc1 ZINC000052443721 522548266 /nfs/dbraw/zinc/54/82/66/522548266.db2.gz MHNWEDHRDIWGGC-KRWDZBQOSA-N 1 0 262.441 3.533 10 0 CHAERO COC[C@H](C)C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000155449550 522581300 /nfs/dbraw/zinc/58/13/00/522581300.db2.gz KHMWGEQSAZIRME-GDBMZVCRSA-N 1 0 289.419 3.695 10 0 CHAERO CCc1nccn1[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000119286749 522600033 /nfs/dbraw/zinc/60/00/33/522600033.db2.gz UEQMFGIILBEYEL-INIZCTEOSA-N 1 0 275.440 3.663 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)C(C)C ZINC000037236323 522938787 /nfs/dbraw/zinc/93/87/87/522938787.db2.gz FJDGYBLHWDMTNR-MLGOLLRUSA-N 1 0 262.397 3.730 10 0 CHAERO COc1ccc(-c2csc(C[NH2+]CC(C)C)n2)cc1 ZINC000061799429 523164602 /nfs/dbraw/zinc/16/46/02/523164602.db2.gz FEULANLIYBVOIN-UHFFFAOYSA-N 1 0 276.405 3.564 10 0 CHAERO CC[C@@H]1CCCCN1c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000054996535 523180774 /nfs/dbraw/zinc/18/07/74/523180774.db2.gz UALCNRQRUMGHRX-CYBMUJFWSA-N 1 0 281.469 3.718 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccc(C)c(C)c1 ZINC000068695216 523321871 /nfs/dbraw/zinc/32/18/71/523321871.db2.gz AQCQJADTAWDONU-ROUUACIJSA-N 1 0 274.452 3.512 10 0 CHAERO CC[C@](C)(CCCc1ccccc1)C[NH2+]CCOC ZINC000054662082 523450857 /nfs/dbraw/zinc/45/08/57/523450857.db2.gz IOIXOLKGJFAJLN-QGZVFWFLSA-N 1 0 263.425 3.662 10 0 CHAERO CC[C@](C)(C[NH2+]CCOC)Cc1cccc(Cl)c1 ZINC000054661836 523463987 /nfs/dbraw/zinc/46/39/87/523463987.db2.gz UXPQMPHVKGIKFE-HNNXBMFYSA-N 1 0 269.816 3.535 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccc(C)c(C)c1 ZINC000068695218 523486888 /nfs/dbraw/zinc/48/68/88/523486888.db2.gz AQCQJADTAWDONU-QZTJIDSGSA-N 1 0 274.452 3.512 10 0 CHAERO CC[C@](C[NH3+])(CCc1scnc1C)c1ccccc1 ZINC000054636805 523525218 /nfs/dbraw/zinc/52/52/18/523525218.db2.gz QYBDWUKHUOZNJY-MRXNPFEDSA-N 1 0 274.433 3.691 10 0 CHAERO CCc1cc(OCc2cc(C[NH3+])co2)ccc1Cl ZINC000052699790 523840389 /nfs/dbraw/zinc/84/03/89/523840389.db2.gz PPXIBLUOPNFGMS-UHFFFAOYSA-N 1 0 265.740 3.533 10 0 CHAERO CC[C@H](C)C[C@H](C[NH2+]CCOC)Cc1ccccc1 ZINC000054659723 523904095 /nfs/dbraw/zinc/90/40/95/523904095.db2.gz CCLRBCLPUGSXAX-RDJZCZTQSA-N 1 0 263.425 3.518 10 0 CHAERO CCc1ccc(CC2(C[NH2+]CCOC)CCCC2)s1 ZINC000054656073 523912342 /nfs/dbraw/zinc/91/23/42/523912342.db2.gz ZXLVPRQDKGEAFD-UHFFFAOYSA-N 1 0 281.465 3.649 10 0 CHAERO COCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000054598923 523944823 /nfs/dbraw/zinc/94/48/23/523944823.db2.gz BJDIIOSVRSLCSM-BXUZGUMPSA-N 1 0 288.218 3.507 10 0 CHAERO CCc1ccc(N(C)c2nc(C)c([C@@H](C)[NH3+])s2)cc1 ZINC000054897556 523959658 /nfs/dbraw/zinc/95/96/58/523959658.db2.gz MYJLIZKIICAJPB-SNVBAGLBSA-N 1 0 275.421 3.802 10 0 CHAERO CCc1cccc(CC)c1N1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053011870 524067357 /nfs/dbraw/zinc/06/73/57/524067357.db2.gz JTJCWNWPSBDJAK-OAHLLOKOSA-N 1 0 274.452 3.636 10 0 CHAERO COc1ccc(C[C@@H]2[C@@H]([NH3+])[C@]3(C)CC[C@H]2C3(C)C)cc1 ZINC000242498510 524142209 /nfs/dbraw/zinc/14/22/09/524142209.db2.gz HJTDHIMYUVXDRG-LHHMISFZSA-N 1 0 273.420 3.637 10 0 CHAERO COc1ccc(Cl)c2[nH+]c(C)c(C(C)C)c(N)c12 ZINC000061687781 524189316 /nfs/dbraw/zinc/18/93/16/524189316.db2.gz ZOYKYELOMJOUCZ-UHFFFAOYSA-N 1 0 264.756 3.911 10 0 CHAERO COc1ccc(Cl)cc1[C@H]1CCCCC[C@H]1[NH3+] ZINC000055231193 524254439 /nfs/dbraw/zinc/25/44/39/524254439.db2.gz VTPHBYPUGXZKOM-DGCLKSJQSA-N 1 0 253.773 3.724 10 0 CHAERO Cc1ccc(C[NH3+])cc1-c1ccc(OC(C)C)cc1 ZINC000049845632 524424732 /nfs/dbraw/zinc/42/47/32/524424732.db2.gz RESLIMYVSYRXOF-UHFFFAOYSA-N 1 0 255.361 3.908 10 0 CHAERO COc1ccccc1C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054630626 524506532 /nfs/dbraw/zinc/50/65/32/524506532.db2.gz PMIGJAGUGBWGPT-KBMXLJTQSA-N 1 0 261.409 3.637 10 0 CHAERO COc1ccccc1Sc1cc(Cl)ccc1C[NH3+] ZINC000062787266 524710615 /nfs/dbraw/zinc/71/06/15/524710615.db2.gz QLSTVXJLODPQRC-UHFFFAOYSA-N 1 0 279.792 3.959 10 0 CHAERO Cc1cc(C[NH2+][C@@H](C)c2sc(C)nc2C)c(C)n1C ZINC000052790413 524767371 /nfs/dbraw/zinc/76/73/71/524767371.db2.gz ATKVJIQJUMKTDV-JTQLQIEISA-N 1 0 277.437 3.566 10 0 CHAERO Cc1cc(COCC(C)C)oc1C[NH2+]C(C)(C)C ZINC000052622803 524804815 /nfs/dbraw/zinc/80/48/15/524804815.db2.gz LVKYRDHIXRFTLU-UHFFFAOYSA-N 1 0 253.386 3.649 10 0 CHAERO C[C@H]([NH3+])c1ccc(OCC(F)(F)C(F)F)c(Cl)c1 ZINC000061699293 524866017 /nfs/dbraw/zinc/86/60/17/524866017.db2.gz FCRFSWDILZDYOU-LURJTMIESA-N 1 0 285.668 3.639 10 0 CHAERO C[C@@H]([NH3+])Cc1ccc(-c2cc(Br)ccc2F)o1 ZINC000062770848 524998056 /nfs/dbraw/zinc/99/80/56/524998056.db2.gz XOKKKNJHYKAUOH-MRVPVSSYSA-N 1 0 298.155 3.738 10 0 CHAERO Cc1ccccc1CN(C)c1cc(Cl)ccc1C[NH3+] ZINC000062786819 525130385 /nfs/dbraw/zinc/13/03/85/525130385.db2.gz DXYRTWBJBZYJJG-UHFFFAOYSA-N 1 0 274.795 3.744 10 0 CHAERO Cc1ccccc1CS[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000054964051 525183774 /nfs/dbraw/zinc/18/37/74/525183774.db2.gz SMEZEGQHQHXYPP-CZUORRHYSA-N 1 0 272.417 3.712 10 0 CHAERO Cc1ccccc1C[C@H](C[NH3+])CCOCCC(C)C ZINC000052948265 525197995 /nfs/dbraw/zinc/19/79/95/525197995.db2.gz QSHVMIBBJOAQQG-MRXNPFEDSA-N 1 0 263.425 3.565 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CCO1 ZINC000222785053 525446295 /nfs/dbraw/zinc/44/62/95/525446295.db2.gz YPXUTEYNPIZEBE-VMUDFCTBSA-N 1 0 259.393 3.782 10 0 CHAERO C[C@H]([NH2+]Cc1cccn1C)c1ccc(Cl)s1 ZINC000050595401 525464156 /nfs/dbraw/zinc/46/41/56/525464156.db2.gz BZUYWRDCZRLOHS-VIFPVBQESA-N 1 0 254.786 3.591 10 0 CHAERO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccco1 ZINC000151700511 525533413 /nfs/dbraw/zinc/53/34/13/525533413.db2.gz ZIRNRAPJHKYTIM-KBPBESRZSA-N 1 0 281.359 3.877 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)c1cc(Cl)sc1Cl ZINC000129891869 525559983 /nfs/dbraw/zinc/55/99/83/525559983.db2.gz WMTSZEIIOVGLTN-ZQARSLAVSA-N 1 0 280.220 3.619 10 0 CHAERO Cc1ccc(SCc2[nH+]c(NN)ccc2Cl)cc1C ZINC000061640083 525664628 /nfs/dbraw/zinc/66/46/28/525664628.db2.gz ZCOIOVZUELNKHB-UHFFFAOYSA-N 1 0 293.823 3.930 10 0 CHAERO C[C@H](Nc1cc[nH+]cc1N)c1ccc(Br)cc1 ZINC000049525079 525673966 /nfs/dbraw/zinc/67/39/66/525673966.db2.gz XTOGKCYVAJLDDY-VIFPVBQESA-N 1 0 292.180 3.599 10 0 CHAERO Cc1cc2ncn([C@H](C)CC[NH2+]C(C)C)c2cc1C ZINC000052575723 525685420 /nfs/dbraw/zinc/68/54/20/525685420.db2.gz WFQVQUBLHFTNDJ-CQSZACIVSA-N 1 0 259.397 3.602 10 0 CHAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)o1 ZINC000050518356 525766687 /nfs/dbraw/zinc/76/66/87/525766687.db2.gz XBRPCARZCQOOLX-LBPRGKRZSA-N 1 0 269.266 3.849 10 0 CHAERO Cc1ccc([C@H](C)[N@@H+]2Cc3cccc(N)c3C2)s1 ZINC000049185846 525883790 /nfs/dbraw/zinc/88/37/90/525883790.db2.gz ATMUQAPUEHJYBK-NSHDSACASA-N 1 0 258.390 3.716 10 0 CHAERO Cc1ccc(Br)cc1NCCC[NH+]1CCCC1 ZINC000049332486 525988354 /nfs/dbraw/zinc/98/83/54/525988354.db2.gz BBGBXLMUECTEAH-UHFFFAOYSA-N 1 0 297.240 3.655 10 0 CHAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089162831 525989738 /nfs/dbraw/zinc/98/97/38/525989738.db2.gz GEFDXDUSBSWMJL-YDHLFZDLSA-N 1 0 273.376 3.553 10 0 CHAERO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(Cl)cc1N ZINC000050443195 526261197 /nfs/dbraw/zinc/26/11/97/526261197.db2.gz UPURDWRUOICJRC-XHDPSFHLSA-N 1 0 266.816 3.933 10 0 CHAERO C[C@H]1CCCC[C@]1([NH3+])Cc1c(F)cccc1Cl ZINC000049346439 526263054 /nfs/dbraw/zinc/26/30/54/526263054.db2.gz RBYKDTMKTGGJFS-HZMBPMFUSA-N 1 0 255.764 3.929 10 0 CHAERO Cc1nn([C@H](C)CCC[NH2+]CC(C)C)c(C)c1Cl ZINC000052573939 526306309 /nfs/dbraw/zinc/30/63/09/526306309.db2.gz ULGXLFRYVYTZBC-LLVKDONJSA-N 1 0 271.836 3.740 10 0 CHAERO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000157007503 526383932 /nfs/dbraw/zinc/38/39/32/526383932.db2.gz ICQZVIBLNILPJS-CYBMUJFWSA-N 1 0 276.380 3.662 10 0 CHAERO Cc1nc(C2CCCCC2)sc1C[NH2+]C1CC1 ZINC000052330851 526776193 /nfs/dbraw/zinc/77/61/93/526776193.db2.gz BDTQEPVRLLMEBW-UHFFFAOYSA-N 1 0 250.411 3.751 10 0 CHAERO Cc1nc(N2CCC(C(C)(C)C)CC2)sc1[C@@H](C)[NH3+] ZINC000054896248 526963182 /nfs/dbraw/zinc/96/31/82/526963182.db2.gz JRELQQMDKAPROX-SNVBAGLBSA-N 1 0 281.469 3.734 10 0 CHAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)c1ccsc1 ZINC000061367221 527123941 /nfs/dbraw/zinc/12/39/41/527123941.db2.gz ZEIPAIAAZPUFAT-VIFPVBQESA-N 1 0 257.362 3.598 10 0 CHAERO [NH3+]C1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000055143128 527141790 /nfs/dbraw/zinc/14/17/90/527141790.db2.gz CHNYLOUKFATNAQ-UHFFFAOYSA-N 1 0 274.191 3.780 10 0 CHAERO [NH3+]C[C@@H](Nc1cccc(F)c1)c1ccccc1Cl ZINC000057552579 527206586 /nfs/dbraw/zinc/20/65/86/527206586.db2.gz DGBLLKNXHYJYOT-CQSZACIVSA-N 1 0 264.731 3.591 10 0 CHAERO [NH3+]C[C@H](Oc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000054932409 527228576 /nfs/dbraw/zinc/22/85/76/527228576.db2.gz PVZXLIXUXDDJDU-AWEZNQCLSA-N 1 0 283.705 3.697 10 0 CHAERO [NH3+]Cc1ccoc1COc1cc(Cl)cc(Cl)c1 ZINC000052701042 527261418 /nfs/dbraw/zinc/26/14/18/527261418.db2.gz LCNIXEOBLJAAMK-UHFFFAOYSA-N 1 0 272.131 3.624 10 0 CHAERO [NH3+][C@@H](CCOc1cccc(Br)c1)C1CCCC1 ZINC000049599790 527331041 /nfs/dbraw/zinc/33/10/41/527331041.db2.gz FOWNMDYDNCXSDI-AWEZNQCLSA-N 1 0 298.224 3.736 10 0 CHAERO [NH3+][C@@H]1CCCC[C@H]1CCOc1ccc(Br)cc1 ZINC000049597117 527344036 /nfs/dbraw/zinc/34/40/36/527344036.db2.gz HBJGLFOCCGPTTQ-SMDDNHRTSA-N 1 0 298.224 3.736 10 0 CHAERO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)c1ccncc1 ZINC000053817155 527388395 /nfs/dbraw/zinc/38/83/95/527388395.db2.gz DANNLVMIOXZFBR-CYBMUJFWSA-N 1 0 267.159 3.631 10 0 CHAERO OC[C@@H]([NH2+]Cc1cccs1)c1csc2ccccc12 ZINC000054465914 527583200 /nfs/dbraw/zinc/58/32/00/527583200.db2.gz BKONVMHSVPNHKT-CQSZACIVSA-N 1 0 289.425 3.786 10 0 CHAERO C[C@@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1ccco1 ZINC000101649003 566878250 /nfs/dbraw/zinc/87/82/50/566878250.db2.gz HECRTIIJPYRXOR-GRDNDAEWSA-N 1 0 289.419 3.955 10 0 CHAERO CC1CC[NH+](C2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000149972574 566913820 /nfs/dbraw/zinc/91/38/20/566913820.db2.gz PFONJASTBOQREP-UHFFFAOYSA-N 1 0 296.455 3.508 10 0 CHAERO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)CC(C)(C)O)o1 ZINC000036115492 566993700 /nfs/dbraw/zinc/99/37/00/566993700.db2.gz KYKRHZHZKJKIPI-UHFFFAOYSA-N 1 0 291.366 3.500 10 0 CHAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)CC1 ZINC000685952880 567209405 /nfs/dbraw/zinc/20/94/05/567209405.db2.gz RBEMPURITHFPOQ-OAHLLOKOSA-N 1 0 296.455 3.652 10 0 CHAERO C[C@@H]1[C@@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000013468186 567866326 /nfs/dbraw/zinc/86/63/26/567866326.db2.gz FAHFBUDMUKEFDS-FCLVOEFKSA-N 1 0 281.399 3.802 10 0 CHAERO CCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccc(C)cc2)no1 ZINC000065286069 567875981 /nfs/dbraw/zinc/87/59/81/567875981.db2.gz XUJMAZHPRRHSDW-OAHLLOKOSA-N 1 0 285.391 3.982 10 0 CHAERO C[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000037703903 567880363 /nfs/dbraw/zinc/88/03/63/567880363.db2.gz VRONJIRNCMSVPQ-UHFFFAOYSA-N 1 0 279.742 3.778 10 0 CHAERO FC(F)(F)c1ccccc1CCC1CC[NH2+]CC1 ZINC000036906571 567889889 /nfs/dbraw/zinc/88/98/89/567889889.db2.gz FRMMLNDCISIUIY-UHFFFAOYSA-N 1 0 257.299 3.638 10 0 CHAERO CCC[NH+]1CCC(n2c3ccc(F)cc3nc2CC)CC1 ZINC000015009059 570321469 /nfs/dbraw/zinc/32/14/69/570321469.db2.gz FYGJMHSEDARONV-UHFFFAOYSA-N 1 0 289.398 3.785 10 0 CHAERO CCC1(CC)[C@H]([NH3+])[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000669383865 570352823 /nfs/dbraw/zinc/35/28/23/570352823.db2.gz LRIYFHKGAVHJBV-MJBXVCDLSA-N 1 0 296.455 3.540 10 0 CHAERO CC[NH+](CC)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000033868229 570405022 /nfs/dbraw/zinc/40/50/22/570405022.db2.gz HXSLLQIYINIVQP-NSHDSACASA-N 1 0 259.315 3.978 10 0 CHAERO CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367697244 1118055934 /nfs/dbraw/zinc/05/59/34/1118055934.db2.gz BESDGEOYAYEBAE-XDKFSHSGSA-N 1 0 273.420 3.572 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1C(F)(F)F ZINC000103965376 1120026597 /nfs/dbraw/zinc/02/65/97/1120026597.db2.gz NXZVJOFNMCPSJF-MNOVXSKESA-N 1 0 273.298 3.535 10 0 CHAERO CCSCc1nc(CC)c(C[NH2+]CC(C)C)s1 ZINC000082423573 177997325 /nfs/dbraw/zinc/99/73/25/177997325.db2.gz ONAHPXOFPSVOKC-UHFFFAOYSA-N 1 0 272.483 3.704 10 0 CHAERO CC(C)c1nc(-c2ccccn2)sc1C[NH2+]C1CC1 ZINC000082429779 178007504 /nfs/dbraw/zinc/00/75/04/178007504.db2.gz QQJICHUIFRVYDM-UHFFFAOYSA-N 1 0 273.405 3.581 10 0 CHAERO [NH3+]Cc1sc(-c2ccc(Cl)cc2)nc1C1CC1 ZINC000082435547 178012624 /nfs/dbraw/zinc/01/26/24/178012624.db2.gz CQVJOUORVUEECU-UHFFFAOYSA-N 1 0 264.781 3.800 10 0 CHAERO CSCc1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000082439590 178017562 /nfs/dbraw/zinc/01/75/62/178017562.db2.gz RQKVCRRNCLFUJF-UHFFFAOYSA-N 1 0 272.483 3.802 10 0 CHAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccc(F)c(F)c2)c1 ZINC000082707024 178215351 /nfs/dbraw/zinc/21/53/51/178215351.db2.gz QSEJVMWXZWQXGS-QMMMGPOBSA-N 1 0 251.251 3.791 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(OC)cc2F)c1 ZINC000082710183 178221329 /nfs/dbraw/zinc/22/13/29/178221329.db2.gz WRIVGEAHULLHCT-JTQLQIEISA-N 1 0 277.314 3.921 10 0 CHAERO CC[NH2+]Cc1ccc(Br)c2ccccc12 ZINC000082726323 178242168 /nfs/dbraw/zinc/24/21/68/178242168.db2.gz SHLDXAKEDNBMFI-UHFFFAOYSA-N 1 0 264.166 3.712 10 0 CHAERO CCCOc1ccc([C@H]([NH3+])CC)cc1Br ZINC000083162868 178346494 /nfs/dbraw/zinc/34/64/94/178346494.db2.gz PQURPLKBPARUDJ-LLVKDONJSA-N 1 0 272.186 3.648 10 0 CHAERO Clc1cccc(-c2cnc(C[NH2+]C3CC3)s2)c1 ZINC000083240027 178366351 /nfs/dbraw/zinc/36/63/51/178366351.db2.gz YDYMZYRBUIHGQB-UHFFFAOYSA-N 1 0 264.781 3.716 10 0 CHAERO Cc1ccc(Br)cc1[C@H]([NH3+])C1CCC1 ZINC000083256651 178372280 /nfs/dbraw/zinc/37/22/80/178372280.db2.gz XJOQXXYLUOFBSB-GFCCVEGCSA-N 1 0 254.171 3.557 10 0 CHAERO C[NH2+][C@H](Cc1cc(C(C)C)c(OC)cc1C)C(C)C ZINC000098131082 185691738 /nfs/dbraw/zinc/69/17/38/185691738.db2.gz ZLKGETARAXWIAG-MRXNPFEDSA-N 1 0 263.425 3.914 10 0 CHAERO CC[C@@H]([NH3+])CCc1cc(C(C)(C)C)c(OC)cc1C ZINC000098131086 185691780 /nfs/dbraw/zinc/69/17/80/185691780.db2.gz HMOVORAKLDEBPE-CQSZACIVSA-N 1 0 263.425 3.971 10 0 CHAERO CC1(C)CC[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000086365615 179277813 /nfs/dbraw/zinc/27/78/13/179277813.db2.gz XNFCZMYZYDCZMU-LBPRGKRZSA-N 1 0 268.198 3.552 10 0 CHAERO CCCC1CC[NH+](CCNc2cccc(C)c2)CC1 ZINC000104018238 185883724 /nfs/dbraw/zinc/88/37/24/185883724.db2.gz KSKRJYDWKNOQRO-UHFFFAOYSA-N 1 0 260.425 3.919 10 0 CHAERO CC(C)(C)c1ncc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000104092260 185894398 /nfs/dbraw/zinc/89/43/98/185894398.db2.gz CEELCCTWSLZSKW-YNEHKIRRSA-N 1 0 278.465 3.966 10 0 CHAERO Cc1cccc(Sc2ccc(CC[NH3+])c(C)c2)c1 ZINC000104430476 185999557 /nfs/dbraw/zinc/99/95/57/185999557.db2.gz KMUUWBDMMPMMNO-UHFFFAOYSA-N 1 0 257.402 3.956 10 0 CHAERO C[C@H]1CCC[C@@H](Sc2nc3sccn3c2CC[NH3+])C1 ZINC000104437507 186001652 /nfs/dbraw/zinc/00/16/52/186001652.db2.gz UDEGIUQXYBEAIO-WDEREUQCSA-N 1 0 295.477 3.568 10 0 CHAERO COc1cc([C@H](C)[NH2+]CC2(C)CCCC2)ccc1O ZINC000104438739 186002365 /nfs/dbraw/zinc/00/23/65/186002365.db2.gz UMGCXHXAYCMUCS-LBPRGKRZSA-N 1 0 263.381 3.632 10 0 CHAERO C[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000104442834 186003786 /nfs/dbraw/zinc/00/37/86/186003786.db2.gz QYTMXRZCUIRUET-DOMZBBRYSA-N 1 0 261.409 3.954 10 0 CHAERO COc1ccc(Br)c2c1CC[NH2+][C@@H]2C(C)(C)C ZINC000105862595 186079792 /nfs/dbraw/zinc/07/97/92/186079792.db2.gz WXFJNNRZFVLNFX-ZDUSSCGKSA-N 1 0 298.224 3.691 10 0 CHAERO COc1c(C)cc(Cl)cc1CCC[NH2+]C(C)C ZINC000107296151 186167862 /nfs/dbraw/zinc/16/78/62/186167862.db2.gz KAAWENFUPJRWCE-UHFFFAOYSA-N 1 0 255.789 3.588 10 0 CHAERO Clc1nc2ccccc2nc1SC[C@H]1CCCC[NH2+]1 ZINC000095069808 184931246 /nfs/dbraw/zinc/93/12/46/184931246.db2.gz IHAGAUSAUYTHJY-SNVBAGLBSA-N 1 0 293.823 3.517 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccccc1C(C)(C)C ZINC000083441540 135021391 /nfs/dbraw/zinc/02/13/91/135021391.db2.gz AZHFZOBIBZORAL-ZIAGYGMSSA-N 1 0 260.425 3.561 10 0 CHAERO CC[C@H]1CN(c2ccccc2C(C)C)[C@@H](CC)C[NH2+]1 ZINC000083441608 135021575 /nfs/dbraw/zinc/02/15/75/135021575.db2.gz FVDYSKJWJJYBCS-GJZGRUSLSA-N 1 0 260.425 3.777 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(C)c(C)c1 ZINC000083441658 135021577 /nfs/dbraw/zinc/02/15/77/135021577.db2.gz CXCFTHCIBTTXND-RDJZCZTQSA-N 1 0 260.425 3.516 10 0 CHAERO CC(C)[C@@H]1CN(c2ccc3ccccc3c2)[C@@H](C)C[NH2+]1 ZINC000083511066 135025152 /nfs/dbraw/zinc/02/51/52/135025152.db2.gz BSPFIUMWGCMBLL-KSSFIOAISA-N 1 0 268.404 3.663 10 0 CHAERO C[C@@H](CCc1ccccc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000171509560 335068042 /nfs/dbraw/zinc/06/80/42/335068042.db2.gz VEXSGGHPMKNRFX-KRWDZBQOSA-N 1 0 297.446 3.616 10 0 CHAERO CCC[NH+](CCC)CCc1cc(O)cc2[nH]ccc21 ZINC000005832854 170145126 /nfs/dbraw/zinc/14/51/26/170145126.db2.gz FGZQPXJEZOFZMX-UHFFFAOYSA-N 1 0 260.381 3.538 10 0 CHAERO Nc1c2ccccc2[nH+]c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000006061894 170173250 /nfs/dbraw/zinc/17/32/50/170173250.db2.gz ZCIUNCZMMFWZAQ-CYBMUJFWSA-N 1 0 288.350 3.730 10 0 CHAERO Oc1cccc([C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000006096175 170176069 /nfs/dbraw/zinc/17/60/69/170176069.db2.gz HGPMWSZMWSQMKY-SFHVURJKSA-N 1 0 281.399 3.814 10 0 CHAERO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000006538507 170211595 /nfs/dbraw/zinc/21/15/95/170211595.db2.gz NBQFCKNLJYVNDM-KEYYUXOJSA-N 1 0 261.409 4.000 10 0 CHAERO Fc1ccc(C[NH2+]Cc2c[nH]c3ccccc23)c(F)c1 ZINC000006583723 170215636 /nfs/dbraw/zinc/21/56/36/170215636.db2.gz JTZGIYVANYFLSM-UHFFFAOYSA-N 1 0 272.298 3.736 10 0 CHAERO [NH3+][C@@H](Cc1ccc(F)cc1)Cc1c(F)cccc1Cl ZINC000011600723 170425347 /nfs/dbraw/zinc/42/53/47/170425347.db2.gz UEYDNNZSRDFCPN-LBPRGKRZSA-N 1 0 281.733 3.731 10 0 CHAERO Cc1ccc(C[C@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000011600433 170425351 /nfs/dbraw/zinc/42/53/51/170425351.db2.gz ARRWXKWXKDLDPN-INIZCTEOSA-N 1 0 259.780 3.761 10 0 CHAERO COc1ccc([C@H]([NH3+])Cc2ccccc2Cl)cc1OC ZINC000011603885 170426143 /nfs/dbraw/zinc/42/61/43/170426143.db2.gz REDXEQWLVBUJGR-CQSZACIVSA-N 1 0 291.778 3.600 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccccc2)C1 ZINC000019232373 170757625 /nfs/dbraw/zinc/75/76/25/170757625.db2.gz PJJCQLGSBTZYQG-BMFZPTHFSA-N 1 0 261.409 3.998 10 0 CHAERO CC[NH+](CC)CCC[C@@H](C)n1c(C)cc(C=O)c1C ZINC000019806628 170875508 /nfs/dbraw/zinc/87/55/08/170875508.db2.gz QTZKMYPAIBIQOT-CYBMUJFWSA-N 1 0 264.413 3.600 10 0 CHAERO NC(=[NH2+])c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000019808694 170877941 /nfs/dbraw/zinc/87/79/41/170877941.db2.gz KDNVBSXQBVKYME-UHFFFAOYSA-N 1 0 276.339 3.703 10 0 CHAERO [NH3+]Cc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000019817716 170881865 /nfs/dbraw/zinc/88/18/65/170881865.db2.gz DBCHMBKIARTROS-UHFFFAOYSA-N 1 0 266.369 3.936 10 0 CHAERO NC(=[NH2+])c1cccc(CSc2ccc(Cl)cc2)c1 ZINC000019847967 170896969 /nfs/dbraw/zinc/89/69/69/170896969.db2.gz MWVVHZFSFCIBFK-UHFFFAOYSA-N 1 0 276.792 3.916 10 0 CHAERO Cc1csc(Sc2ccccc2[C@H](C)[NH3+])n1 ZINC000019874097 170903529 /nfs/dbraw/zinc/90/35/29/170903529.db2.gz FENSVQGRJWSUBD-VIFPVBQESA-N 1 0 250.392 3.622 10 0 CHAERO C[NH+](C)CC(C)(C)CN[C@H](c1ccco1)c1ccccc1 ZINC000019905864 170917471 /nfs/dbraw/zinc/91/74/71/170917471.db2.gz BXPDPLARPZUGAV-KRWDZBQOSA-N 1 0 286.419 3.546 10 0 CHAERO Cc1cc(C)c([C@@H]([NH3+])c2c(F)cccc2F)c(C)c1 ZINC000019968686 170950883 /nfs/dbraw/zinc/95/08/83/170950883.db2.gz CGAHOVULYGYKSS-MRXNPFEDSA-N 1 0 261.315 3.938 10 0 CHAERO [NH3+][C@@H](c1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000019968806 170951265 /nfs/dbraw/zinc/95/12/65/170951265.db2.gz MYRRBRUJXQFAEJ-CYBMUJFWSA-N 1 0 269.241 3.893 10 0 CHAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl ZINC000019971045 170954525 /nfs/dbraw/zinc/95/45/25/170954525.db2.gz VUAQOASXHDJZNQ-HNNXBMFYSA-N 1 0 294.181 3.976 10 0 CHAERO CCC(CC)[C@@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)N(C)C ZINC000019985786 170961119 /nfs/dbraw/zinc/96/11/19/170961119.db2.gz HIIIRDNODXSHOG-OFQRWUPVSA-N 1 0 268.489 3.767 10 0 CHAERO NC(=[NH2+])c1ccccc1Oc1ccc(Br)cc1 ZINC000020076267 170984547 /nfs/dbraw/zinc/98/45/47/170984547.db2.gz IKALVXJUMYFRCF-UHFFFAOYSA-N 1 0 291.148 3.525 10 0 CHAERO NC(=[NH2+])c1ccccc1Oc1ccc2ccccc2c1 ZINC000020076419 170984845 /nfs/dbraw/zinc/98/48/45/170984845.db2.gz LYTVYUQMAYJSMH-UHFFFAOYSA-N 1 0 262.312 3.916 10 0 CHAERO CC[N@H+]([C@@H](CN)c1ccc(C)cc1)C1CCCCC1 ZINC000020081795 170986476 /nfs/dbraw/zinc/98/64/76/170986476.db2.gz DWGGVMQIQNBRAD-KRWDZBQOSA-N 1 0 260.425 3.649 10 0 CHAERO CC[N@H+]([C@@H](CN)c1cccc(C)c1)C1CCCCC1 ZINC000020081801 170986750 /nfs/dbraw/zinc/98/67/50/170986750.db2.gz ZBJSARTVWTWVPD-KRWDZBQOSA-N 1 0 260.425 3.649 10 0 CHAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccncc1 ZINC000020121816 171001146 /nfs/dbraw/zinc/00/11/46/171001146.db2.gz AVJQCVKFTOTAGJ-KBPBESRZSA-N 1 0 266.388 3.982 10 0 CHAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(O)cc1)c1ccccc1 ZINC000020137080 171024687 /nfs/dbraw/zinc/02/46/87/171024687.db2.gz UTNUMIUVWHJLMG-KBPBESRZSA-N 1 0 255.361 3.847 10 0 CHAERO C[C@H]([NH2+]Cc1ccncc1)c1cccc(Br)c1 ZINC000020139803 171027309 /nfs/dbraw/zinc/02/73/09/171027309.db2.gz WQCHCQGZWNEEAC-NSHDSACASA-N 1 0 291.192 3.695 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccc(O)cc1 ZINC000020144697 171030256 /nfs/dbraw/zinc/03/02/56/171030256.db2.gz YCUBHCPXUYBEAU-QWHCGFSZSA-N 1 0 259.349 3.657 10 0 CHAERO C[C@H](C[NH2+]CCCOCc1ccco1)c1ccccc1 ZINC000020147116 171033908 /nfs/dbraw/zinc/03/39/08/171033908.db2.gz OVPFTESTLTVDHW-OAHLLOKOSA-N 1 0 273.376 3.580 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1)c1cccc(F)c1 ZINC000020147839 171035166 /nfs/dbraw/zinc/03/51/66/171035166.db2.gz VQCPAWMPWJCXCZ-NWDGAFQWSA-N 1 0 259.324 3.943 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)[C@@H]1CCCO1 ZINC000020206220 171071550 /nfs/dbraw/zinc/07/15/50/171071550.db2.gz NQXIHVJUYLMNAS-XKQJLSEDSA-N 1 0 259.393 3.611 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020209650 171073192 /nfs/dbraw/zinc/07/31/92/171073192.db2.gz MXNOHPSJBUMTLU-LLVKDONJSA-N 1 0 261.752 3.896 10 0 CHAERO Cc1ccc(C(C)(C)C)c(OC[C@H]2CCC[NH2+]C2)c1 ZINC000020221664 171083130 /nfs/dbraw/zinc/08/31/30/171083130.db2.gz XSYGNSDTDDAVBC-AWEZNQCLSA-N 1 0 261.409 3.671 10 0 CHAERO Cc1ccc([C@@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020225579 171089095 /nfs/dbraw/zinc/08/90/95/171089095.db2.gz AVSPIMBPIWVNCD-QGZVFWFLSA-N 1 0 260.425 3.507 10 0 CHAERO CN(CCc1ccccc1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000020225936 171090017 /nfs/dbraw/zinc/09/00/17/171090017.db2.gz ASWNCNDRUVFKJW-KRWDZBQOSA-N 1 0 288.822 3.514 10 0 CHAERO CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226008 171090168 /nfs/dbraw/zinc/09/01/68/171090168.db2.gz ISKSWVUMLKXWQZ-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020226719 171091668 /nfs/dbraw/zinc/09/16/68/171091668.db2.gz RDSSMXKOSBZZQC-GFCCVEGCSA-N 1 0 289.250 3.971 10 0 CHAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1cccc2cccnc21 ZINC000020296816 171136589 /nfs/dbraw/zinc/13/65/89/171136589.db2.gz DYYAZVDJKSUBSA-UONOGXRCSA-N 1 0 258.365 3.520 10 0 CHAERO [NH3+][C@H](c1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000020384680 171175467 /nfs/dbraw/zinc/17/54/67/171175467.db2.gz XAYKHQIKNJIMQW-INIZCTEOSA-N 1 0 257.764 3.877 10 0 CHAERO Cc1ccsc1[C@@H]([NH3+])Cc1nc2ccccc2s1 ZINC000020428133 171193298 /nfs/dbraw/zinc/19/32/98/171193298.db2.gz ZYZDUPROTOMSPQ-JTQLQIEISA-N 1 0 274.414 3.909 10 0 CHAERO [NH3+]Cc1ccccc1Oc1ccccc1Br ZINC000020469846 171211696 /nfs/dbraw/zinc/21/16/96/171211696.db2.gz QVXGEDFWCYJFQK-UHFFFAOYSA-N 1 0 278.149 3.700 10 0 CHAERO Cc1ccccc1COc1c(C)cc(C[NH3+])cc1C ZINC000020470784 171213043 /nfs/dbraw/zinc/21/30/43/171213043.db2.gz HCILQBNWBSWLKV-UHFFFAOYSA-N 1 0 255.361 3.650 10 0 CHAERO COc1ccc([C@@H]([NH3+])C2CCCCC2)cc1Cl ZINC000020521850 171234993 /nfs/dbraw/zinc/23/49/93/171234993.db2.gz QVRXGFMOSKSSMF-AWEZNQCLSA-N 1 0 253.773 3.929 10 0 CHAERO COc1ccc([C@H]([NH3+])Cc2ccccc2)cc1Cl ZINC000020521959 171235584 /nfs/dbraw/zinc/23/55/84/171235584.db2.gz LAIRRQUGOBJPRF-CQSZACIVSA-N 1 0 261.752 3.591 10 0 CHAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1cccc(Cl)c1F)C2 ZINC000020524069 171236467 /nfs/dbraw/zinc/23/64/67/171236467.db2.gz QPDWMRZKMCFEBH-FGWVZKOKSA-N 1 0 268.763 3.516 10 0 CHAERO CC(C)c1cccc(O[C@H]2COc3ccccc3[C@H]2[NH3+])c1 ZINC000020546447 171244038 /nfs/dbraw/zinc/24/40/38/171244038.db2.gz GQGOTYOCHLVRCI-ZWKOTPCHSA-N 1 0 283.371 3.650 10 0 CHAERO Cc1ccc(O[C@@H]2CCCc3ccccc3[C@H]2[NH3+])cc1 ZINC000020547938 171245599 /nfs/dbraw/zinc/24/55/99/171245599.db2.gz BZHHXCZEVPQNKY-QZTJIDSGSA-N 1 0 267.372 3.779 10 0 CHAERO C[C@H]1CCC[N@@H+](C2(CN)CCC(C(C)(C)C)CC2)C1 ZINC000020549639 171246083 /nfs/dbraw/zinc/24/60/83/171246083.db2.gz IURKWGSOTKAMQA-UQPPLGOBSA-N 1 0 266.473 3.652 10 0 CHAERO Cc1cc(C)cc(OC[C@H]([NH3+])c2ccccc2C)c1 ZINC000020553608 171249435 /nfs/dbraw/zinc/24/94/35/171249435.db2.gz RIGWIGYBQIUFPG-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO COc1ccc(OC[C@H]([NH3+])c2c(C)cc(C)cc2C)cc1 ZINC000020554822 171249614 /nfs/dbraw/zinc/24/96/14/171249614.db2.gz RBGZGTNTRNWCHH-KRWDZBQOSA-N 1 0 285.387 3.699 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@@H](N)[C@@H]([NH+]2CCCCCC2)C1 ZINC000020558753 171251008 /nfs/dbraw/zinc/25/10/08/171251008.db2.gz AFHUBFDWICPHDG-OAGGEKHMSA-N 1 0 266.473 3.795 10 0 CHAERO Fc1cccc(F)c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020596030 171264401 /nfs/dbraw/zinc/26/44/01/171264401.db2.gz CFBRQCAIKJFQGT-CQSZACIVSA-N 1 0 288.341 3.651 10 0 CHAERO CCCOc1ccccc1C[NH2+]CCc1ccc(OC)cc1 ZINC000020924505 171280073 /nfs/dbraw/zinc/28/00/73/171280073.db2.gz ZMGGSLJIHCXUEM-UHFFFAOYSA-N 1 0 299.414 3.816 10 0 CHAERO C[C@@H](C[NH2+]CCCN(C)c1ccccc1)c1ccccc1 ZINC000021008928 171285438 /nfs/dbraw/zinc/28/54/38/171285438.db2.gz NSKOQTBXSXHUEK-KRWDZBQOSA-N 1 0 282.431 3.906 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000021009267 171285814 /nfs/dbraw/zinc/28/58/14/171285814.db2.gz MADBCCZIIUCEMA-OWSLCNJRSA-N 1 0 297.483 3.623 10 0 CHAERO CSCCC[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000021012255 171287471 /nfs/dbraw/zinc/28/74/71/171287471.db2.gz WNZZHKZUIYBRPD-UHFFFAOYSA-N 1 0 284.513 3.518 10 0 CHAERO Cc1ccc(O[C@@H](C)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021014668 171289316 /nfs/dbraw/zinc/28/93/16/171289316.db2.gz KKPOKZMJHXQPTQ-YOEHRIQHSA-N 1 0 255.361 3.771 10 0 CHAERO C[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2F)CCC[C@@H]1C ZINC000021015257 171289707 /nfs/dbraw/zinc/28/97/07/171289707.db2.gz AYXWBTZNZLQJQS-FIXISWKDSA-N 1 0 253.336 3.879 10 0 CHAERO CCc1ccc([C@H]([NH3+])COC2CCC(C)CC2)cc1 ZINC000021500663 171304849 /nfs/dbraw/zinc/30/48/49/171304849.db2.gz IPARDVCTONVBGP-QWFMPGPPSA-N 1 0 261.409 3.844 10 0 CHAERO CCN(C[C@@H]([NH3+])c1cc2ccccc2o1)c1ccccc1 ZINC000021502370 171306416 /nfs/dbraw/zinc/30/64/16/171306416.db2.gz FQICOBCXCAWOAX-MRXNPFEDSA-N 1 0 280.371 3.959 10 0 CHAERO Cc1ccc(O[C@H](C)[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000021503253 171306540 /nfs/dbraw/zinc/30/65/40/171306540.db2.gz QWCOIRNMZYSRKH-PBHICJAKSA-N 1 0 255.361 3.771 10 0 CHAERO CCC1CCC([NH2+]CCCOCc2ccco2)CC1 ZINC000021506917 171307985 /nfs/dbraw/zinc/30/79/85/171307985.db2.gz JFPSKCOQCUSPGF-UHFFFAOYSA-N 1 0 265.397 3.745 10 0 CHAERO CC[C@@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1ccc(C)cc1 ZINC000021508602 171309330 /nfs/dbraw/zinc/30/93/30/171309330.db2.gz REMOWKPXBYFBDZ-DJIMGWMZSA-N 1 0 261.409 3.980 10 0 CHAERO Cc1ccc(OC[C@@H]([NH3+])c2ccc(C)c(C)c2)cc1C ZINC000021513604 171311552 /nfs/dbraw/zinc/31/15/52/171311552.db2.gz RIWLGLMGRPOHQN-GOSISDBHSA-N 1 0 269.388 3.999 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](CN)c2ccc(C(C)(C)C)cc2)C1 ZINC000021517885 171313969 /nfs/dbraw/zinc/31/39/69/171313969.db2.gz RWOPBQVSYOELFC-RKVPGOIHSA-N 1 0 288.479 3.962 10 0 CHAERO [NH3+]C[C@H](c1cccc(Cl)c1)N1CCCCCCC1 ZINC000021518600 171314370 /nfs/dbraw/zinc/31/43/70/171314370.db2.gz ZPWWJMYOGDWPSR-OAHLLOKOSA-N 1 0 266.816 3.606 10 0 CHAERO CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)N(C)C ZINC000021520189 171315421 /nfs/dbraw/zinc/31/54/21/171315421.db2.gz ANSOAVJJHDNFBO-BZUAXINKSA-N 1 0 268.489 3.767 10 0 CHAERO Cc1nccn1[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021789410 171323251 /nfs/dbraw/zinc/32/32/51/171323251.db2.gz IDNYKDFSIOWHDH-CVEARBPZSA-N 1 0 263.429 3.975 10 0 CHAERO CC(C)[C@@H](Oc1ccccc1F)[C@H]([NH3+])c1ccccc1 ZINC000021814136 171331368 /nfs/dbraw/zinc/33/13/68/171331368.db2.gz BXYMXBDTTRMTDG-IAGOWNOFSA-N 1 0 273.351 3.929 10 0 CHAERO CCC[NH+](CCC)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1N ZINC000021814651 171331538 /nfs/dbraw/zinc/33/15/38/171331538.db2.gz MZCIELJBAXKSPV-SQNIBIBYSA-N 1 0 274.452 3.772 10 0 CHAERO CC(C)[C@@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)N1CCCC1 ZINC000021815986 171332488 /nfs/dbraw/zinc/33/24/88/171332488.db2.gz QPKOHMROELBOMG-HRCADAONSA-N 1 0 266.473 3.521 10 0 CHAERO CC[N@H+]([C@@H](CN)c1cccc(Cl)c1)C1CCCCC1 ZINC000021819078 171333855 /nfs/dbraw/zinc/33/38/55/171333855.db2.gz UKFBGJBFTXBYPC-INIZCTEOSA-N 1 0 280.843 3.994 10 0 CHAERO [NH3+]Cc1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000022147987 171357230 /nfs/dbraw/zinc/35/72/30/171357230.db2.gz QMCMBXVOUYCUPU-UHFFFAOYSA-N 1 0 276.339 3.551 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc(F)cc2F)C1 ZINC000022147614 171357239 /nfs/dbraw/zinc/35/72/39/171357239.db2.gz POQLMTMLICQVSA-DGFSRKRXSA-N 1 0 283.362 3.886 10 0 CHAERO Cc1cccc(NC(=O)Nc2ccccc2[C@H](C)[NH3+])c1 ZINC000022164375 171365168 /nfs/dbraw/zinc/36/51/68/171365168.db2.gz STMLZPPYIBOLSK-LBPRGKRZSA-N 1 0 269.348 3.659 10 0 CHAERO CC[C@H]([NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000022211137 171373548 /nfs/dbraw/zinc/37/35/48/171373548.db2.gz QSOGCJHIWILZBS-INIZCTEOSA-N 1 0 259.324 3.815 10 0 CHAERO C[C@@H]([NH3+])c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000022213650 171375043 /nfs/dbraw/zinc/37/50/43/171375043.db2.gz JWQHFYDGBAKLNO-GFCCVEGCSA-N 1 0 260.381 3.615 10 0 CHAERO Cc1cc(Oc2cc(C[NH3+])ccn2)ccc1C(C)C ZINC000022222630 171378600 /nfs/dbraw/zinc/37/86/00/171378600.db2.gz QFFZRCSZUPZROV-UHFFFAOYSA-N 1 0 256.349 3.764 10 0 CHAERO C[NH+](C)C1(c2ccc(Cl)c(Cl)c2)CCC(=O)CC1 ZINC000027433312 171517350 /nfs/dbraw/zinc/51/73/50/171517350.db2.gz LBJMSHMOGAFVLE-UHFFFAOYSA-N 1 0 286.202 3.893 10 0 CHAERO COc1cccc(Nc2cc(C)[nH+]c(C)c2[C@@H](C)O)c1 ZINC000027523407 171519271 /nfs/dbraw/zinc/51/92/71/171519271.db2.gz XULJZUMVXCETOS-GFCCVEGCSA-N 1 0 272.348 3.504 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000034672660 171858259 /nfs/dbraw/zinc/85/82/59/171858259.db2.gz AKBCXWCYLZZLKD-MRVPVSSYSA-N 1 0 253.317 3.974 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1N(C)Cc1ccccc1 ZINC000034838475 171883075 /nfs/dbraw/zinc/88/30/75/171883075.db2.gz NMHODMDDPUFIIC-CQSZACIVSA-N 1 0 254.377 3.603 10 0 CHAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000035224640 172068425 /nfs/dbraw/zinc/06/84/25/172068425.db2.gz TVBLEEZRJHUFTB-WBVHZDCISA-N 1 0 290.451 3.620 10 0 CHAERO Cc1ccc([C@H]([NH3+])c2c(F)cc(F)cc2F)s1 ZINC000035381139 172163355 /nfs/dbraw/zinc/16/33/55/172163355.db2.gz AQGWHECIJIVTHP-LBPRGKRZSA-N 1 0 257.280 3.522 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2Cl)cc1F ZINC000035424188 172192594 /nfs/dbraw/zinc/19/25/94/172192594.db2.gz IEDJFMXHELKUFO-CQSZACIVSA-N 1 0 283.705 3.675 10 0 CHAERO CC[C@H](C)[C@H]([NH2+]C)c1cc(Br)ccc1OC ZINC000035456513 172207001 /nfs/dbraw/zinc/20/70/01/172207001.db2.gz ZPQFABWPICZLSM-ZANVPECISA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000035459003 172208074 /nfs/dbraw/zinc/20/80/74/172208074.db2.gz PSEPKKPCYXLPOS-ZDUSSCGKSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@@H](c1occc1C)c1ccc2c(c1)CCCC2 ZINC000035459985 172209410 /nfs/dbraw/zinc/20/94/10/172209410.db2.gz IEXVFNZLYGBECT-MRXNPFEDSA-N 1 0 255.361 3.776 10 0 CHAERO CCc1ccc([C@H](Cc2ccc(OC)cc2)[NH2+]C)s1 ZINC000035461292 172210254 /nfs/dbraw/zinc/21/02/54/172210254.db2.gz MWZBATSNHLWQKA-HNNXBMFYSA-N 1 0 275.417 3.822 10 0 CHAERO C[NH2+][C@H](c1occc1C)c1ccc(OC)c(Cl)c1 ZINC000035461629 172210358 /nfs/dbraw/zinc/21/03/58/172210358.db2.gz CIQNEKFKXZJGMC-ZDUSSCGKSA-N 1 0 265.740 3.559 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(Cl)c1)c1ccccc1F ZINC000035462071 172211083 /nfs/dbraw/zinc/21/10/83/172211083.db2.gz IZBXJGKAWHPOAZ-OAHLLOKOSA-N 1 0 279.742 3.797 10 0 CHAERO CCCCC[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463233 172211101 /nfs/dbraw/zinc/21/11/01/172211101.db2.gz ZWXQYSJIAXUIOX-ZDUSSCGKSA-N 1 0 251.370 3.545 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000035462952 172211117 /nfs/dbraw/zinc/21/11/17/172211117.db2.gz NPZPPEINBUGCMK-LBPRGKRZSA-N 1 0 254.171 3.510 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000035463373 172211408 /nfs/dbraw/zinc/21/14/08/172211408.db2.gz GTZDNMIOHUGNGZ-MRXNPFEDSA-N 1 0 263.381 3.545 10 0 CHAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Br ZINC000035463914 172211648 /nfs/dbraw/zinc/21/16/48/172211648.db2.gz MAOPDWPBVWTVEZ-CQSZACIVSA-N 1 0 294.167 3.897 10 0 CHAERO CCOc1ccc([C@H]([NH2+]C)c2sccc2C)cc1 ZINC000035466378 172213702 /nfs/dbraw/zinc/21/37/02/172213702.db2.gz DNGSCFHWAKLJCE-AWEZNQCLSA-N 1 0 261.390 3.764 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1ccccc1OC ZINC000035468237 172217942 /nfs/dbraw/zinc/21/79/42/172217942.db2.gz VOYUFCCFOMCDLV-KRWDZBQOSA-N 1 0 255.361 3.621 10 0 CHAERO C[NH2+][C@@H](c1cc(C)ccc1C)c1cc(F)ccc1F ZINC000035468674 172218363 /nfs/dbraw/zinc/21/83/63/172218363.db2.gz ZQBBXKZXZRCWTM-INIZCTEOSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035468795 172218557 /nfs/dbraw/zinc/21/85/57/172218557.db2.gz KAQIGGSJRUNJAO-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1c(F)cc(F)cc1F ZINC000035469387 172219797 /nfs/dbraw/zinc/21/97/97/172219797.db2.gz UIQJYYRNRCXXHK-CYBMUJFWSA-N 1 0 271.307 3.783 10 0 CHAERO C[NH2+][C@H](c1cc2c(s1)CCC2)c1ccc(F)c(F)c1 ZINC000035494146 172227703 /nfs/dbraw/zinc/22/77/03/172227703.db2.gz MPEWBYLSSVVRHC-HNNXBMFYSA-N 1 0 279.355 3.824 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1OC)c1cc(C)sc1C ZINC000035497507 172230273 /nfs/dbraw/zinc/23/02/73/172230273.db2.gz AVWIAWWGKIKBLW-OAHLLOKOSA-N 1 0 275.417 3.877 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)[C@@H]1Cc2ccccc2O1 ZINC000035497605 172231095 /nfs/dbraw/zinc/23/10/95/172231095.db2.gz DZCGAQNJNVGGLX-JKSUJKDBSA-N 1 0 273.401 3.629 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc(C)oc1C ZINC000035497954 172231396 /nfs/dbraw/zinc/23/13/96/172231396.db2.gz NSFHFOKYSYSKJJ-LBPRGKRZSA-N 1 0 255.770 3.920 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1OC ZINC000035497742 172231412 /nfs/dbraw/zinc/23/14/12/172231412.db2.gz QWIWLELYKDQRQD-OAHLLOKOSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@@H](c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000035498641 172232270 /nfs/dbraw/zinc/23/22/70/172232270.db2.gz FXGIRSYIDXQMCX-KRWDZBQOSA-N 1 0 255.361 3.783 10 0 CHAERO C[NH2+][C@@H](c1cc(OC)c(OC)cc1Cl)C(C)(C)C ZINC000035501219 172235498 /nfs/dbraw/zinc/23/54/98/172235498.db2.gz BPHRVXCDOYRFTN-ZDUSSCGKSA-N 1 0 271.788 3.664 10 0 CHAERO C[NH2+][C@H](c1ccncc1)c1cc(Cl)ccc1Cl ZINC000035501880 172236734 /nfs/dbraw/zinc/23/67/34/172236734.db2.gz UPSREBXKCVQNSO-CYBMUJFWSA-N 1 0 267.159 3.697 10 0 CHAERO CCOc1ccc(Br)cc1[C@@H]([NH2+]C)[C@@H]1C[C@@H]1C ZINC000035505973 172239086 /nfs/dbraw/zinc/23/90/86/172239086.db2.gz OYZVPEICUQOMOA-PXWWUCIGSA-N 1 0 298.224 3.764 10 0 CHAERO CCCC[C@@H]([NH2+]CC)c1cc(OC)ccc1OC ZINC000035541410 172248380 /nfs/dbraw/zinc/24/83/80/172248380.db2.gz CBFBVCNNBWQLJM-CQSZACIVSA-N 1 0 251.370 3.545 10 0 CHAERO CC[NH2+][C@@H](CC(C)(C)C)c1cc(OC)ccc1OC ZINC000035541455 172248805 /nfs/dbraw/zinc/24/88/05/172248805.db2.gz MQBPIMRNDBLWRF-AWEZNQCLSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1cc(F)ccc1F ZINC000035543794 172251789 /nfs/dbraw/zinc/25/17/89/172251789.db2.gz QNQCBRYTOTWQBN-SNVBAGLBSA-N 1 0 253.214 3.568 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1cncc(Br)c1 ZINC000035545362 172253613 /nfs/dbraw/zinc/25/36/13/172253613.db2.gz CKMSPSQHRXCROL-GFCCVEGCSA-N 1 0 297.221 3.605 10 0 CHAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(F)cc1F ZINC000035547263 172255284 /nfs/dbraw/zinc/25/52/84/172255284.db2.gz QMUYMKMAZBYINL-HNNXBMFYSA-N 1 0 265.303 3.874 10 0 CHAERO CC[NH2+][C@H](c1cccc(F)c1)c1ccc(F)cc1F ZINC000035547538 172255936 /nfs/dbraw/zinc/25/59/36/172255936.db2.gz SJPZYOCSBDYJKX-OAHLLOKOSA-N 1 0 265.278 3.803 10 0 CHAERO CC[NH2+][C@H](CCC(C)C)c1cc(F)ccc1OC ZINC000035554477 172261273 /nfs/dbraw/zinc/26/12/73/172261273.db2.gz BPYBOHKOQZYYQS-CQSZACIVSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@H](c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000035559732 172264067 /nfs/dbraw/zinc/26/40/67/172264067.db2.gz RWORQXMEKLWHFY-PSASIEDQSA-N 1 0 280.220 3.885 10 0 CHAERO CC(C)C[C@H]1CN(Cc2ccccc2)[C@@H](C(C)C)C[NH2+]1 ZINC000035565303 172264607 /nfs/dbraw/zinc/26/46/07/172264607.db2.gz NQWRSIHHMWCWNV-ZWKOTPCHSA-N 1 0 274.452 3.531 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035572080 172268079 /nfs/dbraw/zinc/26/80/79/172268079.db2.gz NTXKTNYVPZJYSU-AWEZNQCLSA-N 1 0 265.353 3.595 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035572082 172268535 /nfs/dbraw/zinc/26/85/35/172268535.db2.gz NTXKTNYVPZJYSU-CQSZACIVSA-N 1 0 265.353 3.595 10 0 CHAERO CCC[NH2+][C@@H](c1cc(OC)ccc1OC)C(C)(C)C ZINC000035577830 172274276 /nfs/dbraw/zinc/27/42/76/172274276.db2.gz MVPMJMZXYQOSGJ-HNNXBMFYSA-N 1 0 265.397 3.791 10 0 CHAERO CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)(C)C ZINC000035580996 172276958 /nfs/dbraw/zinc/27/69/58/172276958.db2.gz LAAIGELDVJANPW-OAHLLOKOSA-N 1 0 263.381 3.545 10 0 CHAERO CCC[NH2+][C@@H](CC)c1cc2c(cc1Cl)OCCO2 ZINC000035584747 172284321 /nfs/dbraw/zinc/28/43/21/172284321.db2.gz QRFSHEYYUONFFP-LBPRGKRZSA-N 1 0 269.772 3.562 10 0 CHAERO CCC[NH2+][C@H](c1ccco1)c1ccc(OC)c(F)c1 ZINC000035587116 172286529 /nfs/dbraw/zinc/28/65/29/172286529.db2.gz LLNAUWSBGMMOMW-HNNXBMFYSA-N 1 0 263.312 3.516 10 0 CHAERO CCC(C)(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCO2 ZINC000035653562 172330470 /nfs/dbraw/zinc/33/04/70/172330470.db2.gz OQUSECLDBUDXRM-HNNXBMFYSA-N 1 0 259.393 3.950 10 0 CHAERO CC(C)[NH2+][C@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654243 172330789 /nfs/dbraw/zinc/33/07/89/172330789.db2.gz UNQKVRWESTXLRE-JTQLQIEISA-N 1 0 260.164 3.815 10 0 CHAERO CCC[NH2+][C@H]1CCOc2cc(C)c(Cl)c(C)c21 ZINC000035657758 172332402 /nfs/dbraw/zinc/33/24/02/172332402.db2.gz TVJSBYQXUOCCOO-NSHDSACASA-N 1 0 253.773 3.780 10 0 CHAERO CN(Cc1ccco1)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000035701080 172369021 /nfs/dbraw/zinc/36/90/21/172369021.db2.gz MUMOAHXRJACLQJ-ZDUSSCGKSA-N 1 0 299.201 3.718 10 0 CHAERO CC[C@@H](C)C[C@](CC)(C[NH3+])N(C)Cc1cccs1 ZINC000035717225 172371517 /nfs/dbraw/zinc/37/15/17/172371517.db2.gz KNLUIWVRZCWCRN-UKRRQHHQSA-N 1 0 268.470 3.724 10 0 CHAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000035717032 172371543 /nfs/dbraw/zinc/37/15/43/172371543.db2.gz NYRCDBCTBZHCBJ-AWEZNQCLSA-N 1 0 280.824 3.533 10 0 CHAERO CN(Cc1ccsc1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000035718960 172372894 /nfs/dbraw/zinc/37/28/94/172372894.db2.gz YWMQJSYFLXBCFU-SNVBAGLBSA-N 1 0 286.853 3.595 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719362 172374265 /nfs/dbraw/zinc/37/42/65/172374265.db2.gz SPIFPLHHIKGSDO-SNVBAGLBSA-N 1 0 264.369 3.543 10 0 CHAERO [NH3+]Cc1ccc(CSc2cccs2)c(F)c1 ZINC000035722154 172377415 /nfs/dbraw/zinc/37/74/15/172377415.db2.gz QTBUIMPLQDTPJW-UHFFFAOYSA-N 1 0 253.367 3.638 10 0 CHAERO [NH3+]Cc1cccc(CSc2ccc(F)c(F)c2)c1 ZINC000035722056 172377509 /nfs/dbraw/zinc/37/75/09/172377509.db2.gz JUSZCRQZNLALOD-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO COc1cccc(S[C@@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000035723282 172378506 /nfs/dbraw/zinc/37/85/06/172378506.db2.gz QFUILIQKKHROCO-IUODEOHRSA-N 1 0 265.422 3.695 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1ccccc1F ZINC000035723156 172378792 /nfs/dbraw/zinc/37/87/92/172378792.db2.gz OXABUTWXBQAPSI-DGCLKSJQSA-N 1 0 253.386 3.825 10 0 CHAERO COc1ccc(S[C@@H]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC000035723790 172378944 /nfs/dbraw/zinc/37/89/44/172378944.db2.gz LDFKBNPJFCULCO-SLEUVZQESA-N 1 0 265.422 3.551 10 0 CHAERO [NH3+]Cc1ccc(COCc2ccccc2Cl)cc1 ZINC000035725629 172380144 /nfs/dbraw/zinc/38/01/44/172380144.db2.gz NRMFYJGHSQUPEJ-UHFFFAOYSA-N 1 0 261.752 3.516 10 0 CHAERO [NH3+]Cc1ccccc1CSc1ccc2c(c1)CCC2 ZINC000035724832 172380148 /nfs/dbraw/zinc/38/01/48/172380148.db2.gz WWSXDLREVRGGNG-UHFFFAOYSA-N 1 0 269.413 3.926 10 0 CHAERO Cc1ccc(Cl)c(OCc2cccc(C[NH3+])c2)c1 ZINC000035726054 172380502 /nfs/dbraw/zinc/38/05/02/172380502.db2.gz HEOYMRBYRAKTTM-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO [NH3+]CCCN(c1ccccc1)c1ccc2ccccc2n1 ZINC000036723537 172660676 /nfs/dbraw/zinc/66/06/76/172660676.db2.gz SEFIKCCJWOTKIW-UHFFFAOYSA-N 1 0 277.371 3.722 10 0 CHAERO CC(C)[C@@H]([NH2+]C[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC000037233462 173052379 /nfs/dbraw/zinc/05/23/79/173052379.db2.gz FVCAZKMOVWTUNV-DLBZAZTESA-N 1 0 262.441 3.560 10 0 CHAERO CCCN(c1ccc(F)cc1C[NH2+]C(C)C)C1CC1 ZINC000037236656 173054394 /nfs/dbraw/zinc/05/43/94/173054394.db2.gz TZVGVEDMRWPSMI-UHFFFAOYSA-N 1 0 264.388 3.703 10 0 CHAERO [NH3+][C@@H](Cc1ccsc1)c1nc2ccccc2s1 ZINC000037239205 173056119 /nfs/dbraw/zinc/05/61/19/173056119.db2.gz OKXKQDJZSUKCAC-JTQLQIEISA-N 1 0 260.387 3.600 10 0 CHAERO C=COCCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037239253 173056367 /nfs/dbraw/zinc/05/63/67/173056367.db2.gz RDICCQRSNABTSV-DLBZAZTESA-N 1 0 259.393 3.853 10 0 CHAERO [NH3+][C@H](Cc1ccsc1)c1nc2ccccc2s1 ZINC000037239203 173056417 /nfs/dbraw/zinc/05/64/17/173056417.db2.gz OKXKQDJZSUKCAC-SNVBAGLBSA-N 1 0 260.387 3.600 10 0 CHAERO CCCCCC(CCCCC)[NH2+][C@@H](C)C(=O)N(C)C ZINC000037267903 173078543 /nfs/dbraw/zinc/07/85/43/173078543.db2.gz HKVNQNQRXXSDID-AWEZNQCLSA-N 1 0 270.461 3.582 10 0 CHAERO COc1ccccc1C[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000037296160 173100183 /nfs/dbraw/zinc/10/01/83/173100183.db2.gz XYAHNGFKUHXGNM-INIZCTEOSA-N 1 0 255.361 3.555 10 0 CHAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1ccc(C)s1 ZINC000037328325 173128746 /nfs/dbraw/zinc/12/87/46/173128746.db2.gz HSPRYMQONBUVPL-OAHLLOKOSA-N 1 0 274.433 3.578 10 0 CHAERO [NH3+][C@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000037378408 173166148 /nfs/dbraw/zinc/16/61/48/173166148.db2.gz RCOFBUUJQYYACV-MRVPVSSYSA-N 1 0 258.070 3.946 10 0 CHAERO CCC[C@H]([NH3+])CCc1cccc(Br)c1 ZINC000037408547 173184465 /nfs/dbraw/zinc/18/44/65/173184465.db2.gz NMTNUEURUKRYPO-LBPRGKRZSA-N 1 0 256.187 3.509 10 0 CHAERO CC(C)[C@H](C)[N@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424968 173199020 /nfs/dbraw/zinc/19/90/20/173199020.db2.gz ZSCSCCMPOODNAE-HZMBPMFUSA-N 1 0 289.250 3.970 10 0 CHAERO CSCC[C@@H]([NH3+])c1nc2cc(C)ccc2n1C(C)C ZINC000037438530 173208833 /nfs/dbraw/zinc/20/88/33/173208833.db2.gz LEJZGHCFYMVHPZ-GFCCVEGCSA-N 1 0 277.437 3.679 10 0 CHAERO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439739 173209428 /nfs/dbraw/zinc/20/94/28/173209428.db2.gz NZAYMQPRHSHBNT-YGRLFVJLSA-N 1 0 263.360 3.802 10 0 CHAERO CCCC[C@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441303 173211303 /nfs/dbraw/zinc/21/13/03/173211303.db2.gz TVKCQKVNIDPRJE-JTQLQIEISA-N 1 0 296.212 3.526 10 0 CHAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1cccs1 ZINC000037466193 173226254 /nfs/dbraw/zinc/22/62/54/173226254.db2.gz RXJHKNSWVFYXEX-GFCCVEGCSA-N 1 0 251.782 3.905 10 0 CHAERO C[NH2+][C@H](c1cccc(Br)c1)C1CCCC1 ZINC000037467855 173227289 /nfs/dbraw/zinc/22/72/89/173227289.db2.gz CMIYBGMQQLGDGV-ZDUSSCGKSA-N 1 0 268.198 3.900 10 0 CHAERO CC(C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1Cl ZINC000037632333 173580839 /nfs/dbraw/zinc/58/08/39/173580839.db2.gz VFZSXSZCMARSOJ-UHFFFAOYSA-N 1 0 289.206 3.710 10 0 CHAERO CCOC(=O)CCC[C@@H]([NH3+])c1ccc([C@@H](C)CC)cc1 ZINC000037636238 173584416 /nfs/dbraw/zinc/58/44/16/173584416.db2.gz NVBXMBZLXJSVME-XJKSGUPXSA-N 1 0 277.408 3.933 10 0 CHAERO [NH3+]CCc1cc(Cl)ccc1OC1CCCCC1 ZINC000037720929 173638800 /nfs/dbraw/zinc/63/88/00/173638800.db2.gz HZFHPXRJQDMMMM-UHFFFAOYSA-N 1 0 253.773 3.553 10 0 CHAERO [NH3+]CCc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000037721234 173639486 /nfs/dbraw/zinc/63/94/86/173639486.db2.gz GMHJCRWZMDPUPO-UHFFFAOYSA-N 1 0 279.742 3.559 10 0 CHAERO CC[C@@H]([NH3+])Cc1cccc(OCc2cccs2)c1 ZINC000037726833 173645616 /nfs/dbraw/zinc/64/56/16/173645616.db2.gz SNBDGNLMJXYTFT-CYBMUJFWSA-N 1 0 261.390 3.607 10 0 CHAERO CCCC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000037738335 173658644 /nfs/dbraw/zinc/65/86/44/173658644.db2.gz XFFKJHSWXQYAJY-CZUORRHYSA-N 1 0 265.372 3.683 10 0 CHAERO Cc1ccc(C[NH2+][C@H](C)Cc2c(F)cccc2F)o1 ZINC000037775984 173707664 /nfs/dbraw/zinc/70/76/64/173707664.db2.gz DTJTUPNEYIZCLG-SNVBAGLBSA-N 1 0 265.303 3.587 10 0 CHAERO CCSc1ccccc1N[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037779393 173710397 /nfs/dbraw/zinc/71/03/97/173710397.db2.gz RLWYZFNCNVKXER-ZIAGYGMSSA-N 1 0 278.465 3.941 10 0 CHAERO CCc1ncc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000037924597 173863242 /nfs/dbraw/zinc/86/32/42/173863242.db2.gz AUZGDXCQMPXGTA-VHSXEESVSA-N 1 0 292.370 3.916 10 0 CHAERO CCc1ccc([C@H](C)[NH2+]CC2(O)CCCCCC2)cc1 ZINC000037979933 173938604 /nfs/dbraw/zinc/93/86/04/173938604.db2.gz GBKXHOULODQUGT-HNNXBMFYSA-N 1 0 275.436 3.985 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c(C)c1 ZINC000038009402 173974973 /nfs/dbraw/zinc/97/49/73/173974973.db2.gz BQBCVPRVSWFOTO-WBVHZDCISA-N 1 0 281.399 3.958 10 0 CHAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1 ZINC000038028223 174016768 /nfs/dbraw/zinc/01/67/68/174016768.db2.gz HXJADEKKCUVIDZ-IAGOWNOFSA-N 1 0 274.452 3.828 10 0 CHAERO Nc1cccc2c1CC[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000038032685 174028727 /nfs/dbraw/zinc/02/87/27/174028727.db2.gz DHRJWKQJXXCEMQ-LJQANCHMSA-N 1 0 278.399 3.705 10 0 CHAERO Cc1noc(C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)n1 ZINC000038034109 174032462 /nfs/dbraw/zinc/03/24/62/174032462.db2.gz KJDQKHRRWHVGPS-GJZGRUSLSA-N 1 0 277.412 3.607 10 0 CHAERO [NH3+][C@@H](c1nc2ccccc2n1C1CC1)C1CCCCC1 ZINC000038036776 174035786 /nfs/dbraw/zinc/03/57/86/174035786.db2.gz ZWILICGLQSRDKC-MRXNPFEDSA-N 1 0 269.392 3.951 10 0 CHAERO Cc1nccc(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000038037448 174037525 /nfs/dbraw/zinc/03/75/25/174037525.db2.gz BRZNPAUZIWQAEF-AWEZNQCLSA-N 1 0 283.419 3.834 10 0 CHAERO COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCCOC3)oc21 ZINC000038044508 174051998 /nfs/dbraw/zinc/05/19/98/174051998.db2.gz DRMQTTPNJOIGBF-QWHCGFSZSA-N 1 0 289.375 3.519 10 0 CHAERO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCCOC3)oc21 ZINC000038044507 174052181 /nfs/dbraw/zinc/05/21/81/174052181.db2.gz DRMQTTPNJOIGBF-OLZOCXBDSA-N 1 0 289.375 3.519 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)c(Cl)c1 ZINC000038044512 174052361 /nfs/dbraw/zinc/05/23/61/174052361.db2.gz FYGVYNXKZABRFS-WDEREUQCSA-N 1 0 271.763 3.556 10 0 CHAERO [NH3+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F ZINC000038070898 174081807 /nfs/dbraw/zinc/08/18/07/174081807.db2.gz FEZDNOAUAGSCNX-UHFFFAOYSA-N 1 0 269.241 3.970 10 0 CHAERO CCC[NH2+]Cc1ccc(-c2cccc(OC)c2)cc1 ZINC000038071443 174081866 /nfs/dbraw/zinc/08/18/66/174081866.db2.gz KQALUHYRDYGIGA-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO CC[NH2+]Cc1ccc(-c2cc(F)ccc2F)cc1F ZINC000038072262 174082498 /nfs/dbraw/zinc/08/24/98/174082498.db2.gz OCZCJTGRDVYRRL-UHFFFAOYSA-N 1 0 265.278 3.880 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000038072962 174083247 /nfs/dbraw/zinc/08/32/47/174083247.db2.gz GHOXXDVPPVFDFY-LBPRGKRZSA-N 1 0 253.345 3.569 10 0 CHAERO CCC[NH2+][C@@H](CC)c1cccc(-c2cnn(C)c2)c1 ZINC000038073122 174083290 /nfs/dbraw/zinc/08/32/90/174083290.db2.gz LNQGOVNHNWBMSL-INIZCTEOSA-N 1 0 257.381 3.538 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1-c1ccc2c(c1)CCO2 ZINC000038072952 174083326 /nfs/dbraw/zinc/08/33/26/174083326.db2.gz IRAUMISBEGKNGG-GFCCVEGCSA-N 1 0 253.345 3.569 10 0 CHAERO Cc1cc(C)cc(C[C@@H]([NH3+])c2ccc(C)c(F)c2)c1 ZINC000038077372 174087742 /nfs/dbraw/zinc/08/77/42/174087742.db2.gz DBQKCXZYVDHMCT-QGZVFWFLSA-N 1 0 257.352 3.993 10 0 CHAERO C[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)N(C)C ZINC000038087651 174099339 /nfs/dbraw/zinc/09/93/39/174099339.db2.gz RYAZNODMKWGIRP-USXIJHARSA-N 1 0 266.473 3.665 10 0 CHAERO CCC(C)(C)C1CCC([NH2+]C[C@@H](C)N(C)C)CC1 ZINC000038088974 174102672 /nfs/dbraw/zinc/10/26/72/174102672.db2.gz DSIOZCGICMINCW-WLYUNCDWSA-N 1 0 254.462 3.521 10 0 CHAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)c1sccc1C ZINC000038133488 174132160 /nfs/dbraw/zinc/13/21/60/174132160.db2.gz LJKLFUAUBSBKBI-OAHLLOKOSA-N 1 0 275.417 3.958 10 0 CHAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)C1CCCCC1 ZINC000038133400 174132172 /nfs/dbraw/zinc/13/21/72/174132172.db2.gz BLCPQCOZKCUDMP-QGZVFWFLSA-N 1 0 261.409 3.796 10 0 CHAERO C[C@H](O[C@@H]1CCC[C@H](C)C1)[C@H]([NH3+])c1ccc(F)cc1 ZINC000040177319 174202021 /nfs/dbraw/zinc/20/20/21/174202021.db2.gz FVLGVLKCSOIUGD-RKLWJJNISA-N 1 0 265.372 3.809 10 0 CHAERO C[C@H]1CCC[C@H](OC[C@H]([NH3+])c2cc(F)ccc2F)C1 ZINC000040177346 174202277 /nfs/dbraw/zinc/20/22/77/174202277.db2.gz HIGAIENNXPVYSK-WBIUFABUSA-N 1 0 269.335 3.560 10 0 CHAERO CCc1nc2cc(Cl)ccc2n1CCC[NH+](CC)CC ZINC000040403685 174253869 /nfs/dbraw/zinc/25/38/69/174253869.db2.gz LYQQBOFRCAOWLJ-UHFFFAOYSA-N 1 0 293.842 3.984 10 0 CHAERO [NH3+]CCCc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417912 174256522 /nfs/dbraw/zinc/25/65/22/174256522.db2.gz HQJRYHXELJWEAF-UHFFFAOYSA-N 1 0 299.805 3.629 10 0 CHAERO CCCOc1c(C[NH2+]C(C)C)cc(Cl)cc1OC ZINC000040722213 174385280 /nfs/dbraw/zinc/38/52/80/174385280.db2.gz HIYCVURGEWBSDH-UHFFFAOYSA-N 1 0 271.788 3.635 10 0 CHAERO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OC(C)C ZINC000040728646 174387843 /nfs/dbraw/zinc/38/78/43/174387843.db2.gz SDLNZFRMSMJMNK-UHFFFAOYSA-N 1 0 265.397 3.761 10 0 CHAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729857 174388119 /nfs/dbraw/zinc/38/81/19/174388119.db2.gz FOIOMHKWPIHXEP-UHFFFAOYSA-N 1 0 292.206 3.517 10 0 CHAERO [NH3+][C@H](c1nc2c(s1)CCC2)c1ccc(C(F)(F)F)cc1 ZINC000041183549 174506468 /nfs/dbraw/zinc/50/64/68/174506468.db2.gz DKGWJOAHGLIGSG-LBPRGKRZSA-N 1 0 298.333 3.699 10 0 CHAERO Cc1cc(C)c(C[C@H](C[NH3+])Cc2ccccc2)c(C)c1 ZINC000041386113 174542491 /nfs/dbraw/zinc/54/24/91/174542491.db2.gz OHQACHCJZQQLGZ-GOSISDBHSA-N 1 0 267.416 3.972 10 0 CHAERO COc1ccccc1C[C@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000041466759 174557154 /nfs/dbraw/zinc/55/71/54/174557154.db2.gz GTUCJZBYEISWMJ-CQSZACIVSA-N 1 0 289.806 3.709 10 0 CHAERO [NH3+]C[C@H](Cc1cccs1)c1cccc(Br)c1 ZINC000041485996 174561103 /nfs/dbraw/zinc/56/11/03/174561103.db2.gz QNTXDRSMFLRKQV-NSHDSACASA-N 1 0 296.233 3.796 10 0 CHAERO CC(C)C[C@H](C[NH2+][C@H](c1cccs1)C1CC1)N(C)C ZINC000042329262 174686862 /nfs/dbraw/zinc/68/68/62/174686862.db2.gz FDJKZSKQJIICMC-ZBFHGGJFSA-N 1 0 280.481 3.765 10 0 CHAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000042554096 174791846 /nfs/dbraw/zinc/79/18/46/174791846.db2.gz QJBIIUCCXGBCHX-GHMZBOCLSA-N 1 0 263.410 3.662 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OCc1cccs1)c1ccc(F)cc1 ZINC000042942748 174918657 /nfs/dbraw/zinc/91/86/57/174918657.db2.gz UKGCYACOIFZAOJ-HUUCEWRRSA-N 1 0 279.380 3.882 10 0 CHAERO [NH3+]C[C@H](Sc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000042943596 174918954 /nfs/dbraw/zinc/91/89/54/174918954.db2.gz YZMANJHUECUNRZ-AWEZNQCLSA-N 1 0 283.318 3.896 10 0 CHAERO COc1ccc([C@@H](Sc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000042964271 174928134 /nfs/dbraw/zinc/92/81/34/174928134.db2.gz QKTDQAVWQQIAQH-WBMJQRKESA-N 1 0 273.401 3.876 10 0 CHAERO COc1cccc([C@@H](Sc2nc(C)cs2)[C@H](C)[NH3+])c1 ZINC000043032122 174949223 /nfs/dbraw/zinc/94/92/23/174949223.db2.gz SEZKLXQPYDUECT-GWCFXTLKSA-N 1 0 294.445 3.641 10 0 CHAERO CC[C@H](N)[C@@H](c1ccccc1C)[N@H+](C)[C@@H](C)C(C)C ZINC000043035065 174950354 /nfs/dbraw/zinc/95/03/54/174950354.db2.gz ZSOBVUBNVZMFKQ-BHYGNILZSA-N 1 0 262.441 3.750 10 0 CHAERO Cc1ccccc1[C@@H](Sc1ccccn1)[C@H](C)[NH3+] ZINC000043040990 174953161 /nfs/dbraw/zinc/95/31/61/174953161.db2.gz VQCRAGISOBDVNX-WFASDCNBSA-N 1 0 258.390 3.571 10 0 CHAERO [NH3+]C[C@@H](OC1CCCCC1)c1ccccc1Cl ZINC000043053412 174961028 /nfs/dbraw/zinc/96/10/28/174961028.db2.gz NNIRSYPTFDFZHX-CQSZACIVSA-N 1 0 253.773 3.689 10 0 CHAERO COc1ccccc1[C@H](C[NH3+])SCc1ccccc1 ZINC000043100733 174967447 /nfs/dbraw/zinc/96/74/47/174967447.db2.gz RSZUOSVFBLUKAC-INIZCTEOSA-N 1 0 273.401 3.628 10 0 CHAERO CC(C)C[NH+](CC(C)C)[C@@H](c1cccs1)[C@@H](C)N ZINC000043104474 174969900 /nfs/dbraw/zinc/96/99/00/174969900.db2.gz URWJJKISEQEADH-UKRRQHHQSA-N 1 0 268.470 3.750 10 0 CHAERO C[C@H]([NH3+])[C@@H](c1cccs1)N(Cc1cccs1)C1CC1 ZINC000043105743 174971555 /nfs/dbraw/zinc/97/15/55/174971555.db2.gz FAGGLRWGLZTATG-NHYWBVRUSA-N 1 0 292.473 3.863 10 0 CHAERO CC[C@H]([NH3+])[C@H](Oc1cccc(C)c1)c1cccs1 ZINC000043108427 174973518 /nfs/dbraw/zinc/97/35/18/174973518.db2.gz JWHAEMUYZIFYNW-ZFWWWQNUSA-N 1 0 261.390 3.914 10 0 CHAERO CCCC[C@H](CC)Cn1nc(C)c(C[NH2+]CC)c1C ZINC000043456080 175049979 /nfs/dbraw/zinc/04/99/79/175049979.db2.gz FJTUBIOSBCWYAV-HNNXBMFYSA-N 1 0 265.445 3.826 10 0 CHAERO CCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH2+]CC ZINC000043460382 175050952 /nfs/dbraw/zinc/05/09/52/175050952.db2.gz GNCJSXOGZXWZKN-AWEZNQCLSA-N 1 0 263.381 3.687 10 0 CHAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043476893 175054607 /nfs/dbraw/zinc/05/46/07/175054607.db2.gz AUXLQIXRYRTFGU-GXFFZTMASA-N 1 0 253.773 3.714 10 0 CHAERO CCCCCCOc1ccc(CC[NH3+])cc1Cl ZINC000043491099 175057096 /nfs/dbraw/zinc/05/70/96/175057096.db2.gz IAEKMAMCQCQIIX-UHFFFAOYSA-N 1 0 255.789 3.800 10 0 CHAERO CC[NH2+][C@@H](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000043512158 175060645 /nfs/dbraw/zinc/06/06/45/175060645.db2.gz PNRPBWDVGDRXGC-QWRGUYRKSA-N 1 0 259.315 3.882 10 0 CHAERO CCc1ccc([C@@H](Cc2ccsc2)[NH2+]C)s1 ZINC000043640169 175084084 /nfs/dbraw/zinc/08/40/84/175084084.db2.gz GFMNSODCHZNZIV-GFCCVEGCSA-N 1 0 251.420 3.875 10 0 CHAERO C[NH2+][C@H]1CCCCC[C@@H]1Cc1cccc(F)c1F ZINC000043650647 175085578 /nfs/dbraw/zinc/08/55/78/175085578.db2.gz VNZQCFDBUIEOTA-RISCZKNCSA-N 1 0 253.336 3.676 10 0 CHAERO CC[NH2+][C@H](C)CN(CC)c1cccc2ccccc21 ZINC000043817193 175112484 /nfs/dbraw/zinc/11/24/84/175112484.db2.gz IKZMQIQOIWXAEN-CQSZACIVSA-N 1 0 256.393 3.664 10 0 CHAERO CC[C@H]([NH3+])Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000044409842 175171606 /nfs/dbraw/zinc/17/16/06/175171606.db2.gz XEXUMTDVXCLIGR-ZDUSSCGKSA-N 1 0 259.324 3.898 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c1C ZINC000045169554 175320740 /nfs/dbraw/zinc/32/07/40/175320740.db2.gz DYOLCZFMCCPWMH-SLEUVZQESA-N 1 0 263.429 3.749 10 0 CHAERO Cc1nc(-c2ccccc2C)sc1C[NH2+]C(C)C ZINC000045205714 175327975 /nfs/dbraw/zinc/32/79/75/175327975.db2.gz XXNDVINVJOUZOI-UHFFFAOYSA-N 1 0 260.406 3.925 10 0 CHAERO COc1ccccc1CC[NH2+]Cc1cn(C)c2ccccc12 ZINC000057353196 175594075 /nfs/dbraw/zinc/59/40/75/175594075.db2.gz HIAABHCDBZRVGU-UHFFFAOYSA-N 1 0 294.398 3.519 10 0 CHAERO CC[C@H](C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000068590953 175811829 /nfs/dbraw/zinc/81/18/29/175811829.db2.gz PFYRCLBCOBRGKN-ZNMIVQPWSA-N 1 0 298.471 3.706 10 0 CHAERO COc1ccc(SCc2ccc(F)cc2C[NH3+])cc1 ZINC000071264501 176098090 /nfs/dbraw/zinc/09/80/90/176098090.db2.gz VVCUVYXVZAXALP-UHFFFAOYSA-N 1 0 277.364 3.585 10 0 CHAERO CCC[NH2+]Cc1cc(C)ccc1OC/C=C/Cl ZINC000071406286 176155867 /nfs/dbraw/zinc/15/58/67/176155867.db2.gz AKCRKVRFXGOLGI-QPJJXVBHSA-N 1 0 253.773 3.626 10 0 CHAERO CCOc1ccc(/C(=C/CC[NH3+])C(C)C)cc1F ZINC000071573363 176199593 /nfs/dbraw/zinc/19/95/93/176199593.db2.gz WSRYGFMMVGDVEY-AWNIVKPZSA-N 1 0 251.345 3.613 10 0 CHAERO CCOc1cc(C)c(/C=C/CCC[NH3+])cc1Cl ZINC000071575204 176202312 /nfs/dbraw/zinc/20/23/12/176202312.db2.gz MURUSQRMZROTHB-FNORWQNLSA-N 1 0 253.773 3.799 10 0 CHAERO CC(C)COc1ccc([C@H](C[NH3+])C2CCCC2)cc1 ZINC000071588018 176215573 /nfs/dbraw/zinc/21/55/73/176215573.db2.gz ZZHFILYEKMZMTN-QGZVFWFLSA-N 1 0 261.409 3.954 10 0 CHAERO CC[NH2+][C@H](C(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000071587894 176215712 /nfs/dbraw/zinc/21/57/12/176215712.db2.gz RVAMGYCRHUAKOF-HNNXBMFYSA-N 1 0 261.409 3.801 10 0 CHAERO CC(C)Oc1ccc(CCCC2CC[NH2+]CC2)cc1 ZINC000071588136 176216262 /nfs/dbraw/zinc/21/62/62/176216262.db2.gz XUXULKBWMFSPIX-UHFFFAOYSA-N 1 0 261.409 3.796 10 0 CHAERO CC(C)(C)C[C@@H]([NH3+])c1cc(Br)cs1 ZINC000071588415 176216634 /nfs/dbraw/zinc/21/66/34/176216634.db2.gz QSVWYOWONVCQCY-MRVPVSSYSA-N 1 0 262.216 3.947 10 0 CHAERO C[N@@H+]1C[C@@H]2CCC[C@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072142461 176323570 /nfs/dbraw/zinc/32/35/70/176323570.db2.gz RCJIOMDJRBCHJE-SMDDNHRTSA-N 1 0 270.203 3.977 10 0 CHAERO COc1cc(C)c([C@H](C)CC[NH2+]C2CC2)cc1Cl ZINC000076397625 177015454 /nfs/dbraw/zinc/01/54/54/177015454.db2.gz UILKYOQDSWSXJI-SNVBAGLBSA-N 1 0 267.800 3.903 10 0 CHAERO CC(C)(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000076661542 177049015 /nfs/dbraw/zinc/04/90/15/177049015.db2.gz ALZRKNWWZOYWKX-NSHDSACASA-N 1 0 256.187 3.538 10 0 CHAERO [NH3+]CC[C@H](CCc1ccccc1)c1ccc(F)cc1 ZINC000076664596 177050777 /nfs/dbraw/zinc/05/07/77/177050777.db2.gz MODOICLDGSKOCR-INIZCTEOSA-N 1 0 257.352 3.891 10 0 CHAERO CCCCN(CC[NH3+])c1ccc(Cl)cc1Cl ZINC000076671776 177054404 /nfs/dbraw/zinc/05/44/04/177054404.db2.gz PKDQOWRGOIBMOG-UHFFFAOYSA-N 1 0 261.196 3.559 10 0 CHAERO Cc1cccc(OCC[C@@H](C[NH3+])c2cccs2)c1 ZINC000076672990 177054578 /nfs/dbraw/zinc/05/45/78/177054578.db2.gz QENBXGAMIGUNAC-ZDUSSCGKSA-N 1 0 261.390 3.568 10 0 CHAERO Cc1ccc(OC[C@H](CC[NH3+])c2cccs2)cc1 ZINC000076673096 177054670 /nfs/dbraw/zinc/05/46/70/177054670.db2.gz BHBBKGUPFDWZDE-ZDUSSCGKSA-N 1 0 261.390 3.568 10 0 CHAERO CC(C)(C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000076673864 177055108 /nfs/dbraw/zinc/05/51/08/177055108.db2.gz YYTCMUIYGBMYFJ-MRVPVSSYSA-N 1 0 262.216 3.599 10 0 CHAERO [NH3+]C[C@@H](CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000076726034 177070909 /nfs/dbraw/zinc/07/09/09/177070909.db2.gz RYDWZVCSARGXGK-CQSZACIVSA-N 1 0 275.779 3.851 10 0 CHAERO CC[NH2+][C@@H](C)c1csc(-c2ccc(OCC)cc2)n1 ZINC000076732291 177073473 /nfs/dbraw/zinc/07/34/73/177073473.db2.gz HXZLHDSSEBUXPU-NSHDSACASA-N 1 0 276.405 3.879 10 0 CHAERO [NH3+]C[C@@H](Cc1ccccc1)c1ccccc1Br ZINC000076815472 177107159 /nfs/dbraw/zinc/10/71/59/177107159.db2.gz MSYJPVGFLDKSLR-CYBMUJFWSA-N 1 0 290.204 3.734 10 0 CHAERO COCc1c2cc(Cl)ccc2oc1C[NH2+]CC(C)C ZINC000077069934 177184702 /nfs/dbraw/zinc/18/47/02/177184702.db2.gz MZICUDRQGVWMPR-UHFFFAOYSA-N 1 0 281.783 3.978 10 0 CHAERO CCc1ccc2oc(C[NH2+]C(C)C)c(COC)c2c1 ZINC000077070745 177186707 /nfs/dbraw/zinc/18/67/07/177186707.db2.gz ZFDQYWRQGIMOLK-UHFFFAOYSA-N 1 0 261.365 3.640 10 0 CHAERO COc1ccccc1NC1CC[NH+](CC=C(C)C)CC1 ZINC000037189237 260073502 /nfs/dbraw/zinc/07/35/02/260073502.db2.gz NKSHYJUZPCKHOK-UHFFFAOYSA-N 1 0 274.408 3.538 10 0 CHAERO OC1(C(F)(F)F)CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000335724712 226748933 /nfs/dbraw/zinc/74/89/33/226748933.db2.gz BTWQNGPSWIHKNN-MBHSVXNSSA-N 1 0 291.357 3.535 10 0 CHAERO [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000070148756 260152412 /nfs/dbraw/zinc/15/24/12/260152412.db2.gz FDDZQAASNUQMSL-GOSISDBHSA-N 1 0 268.404 3.543 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+]CCSCC)cc1 ZINC000310623623 260222090 /nfs/dbraw/zinc/22/20/90/260222090.db2.gz IGRHRIFAGXWNJW-ZDUSSCGKSA-N 1 0 267.438 3.879 10 0 CHAERO CCn1cccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000091023683 260265076 /nfs/dbraw/zinc/26/50/76/260265076.db2.gz DCHYPYQMUHSBBZ-LLVKDONJSA-N 1 0 264.319 3.637 10 0 CHAERO CCn1cccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000091023869 260265255 /nfs/dbraw/zinc/26/52/55/260265255.db2.gz RDKXQCLRLDRXAB-OAHLLOKOSA-N 1 0 290.407 3.974 10 0 CHAERO C[C@@H]1CC[C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)O1 ZINC000128060867 260371621 /nfs/dbraw/zinc/37/16/21/260371621.db2.gz HQBFXWXJENUYFR-KMFMINBZSA-N 1 0 271.360 3.526 10 0 CHAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000130061160 260392526 /nfs/dbraw/zinc/39/25/26/260392526.db2.gz KASDETJVKDTFKL-IAQYHMDHSA-N 1 0 288.778 3.615 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC2CCCC2)c1C ZINC000045171531 260650510 /nfs/dbraw/zinc/65/05/10/260650510.db2.gz JMKACAVPKMLQIY-GFCCVEGCSA-N 1 0 263.429 3.751 10 0 CHAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)C1CCCCC1 ZINC000052334020 261084577 /nfs/dbraw/zinc/08/45/77/261084577.db2.gz LJEAPAIYZSOJNH-BBRMVZONSA-N 1 0 286.419 3.653 10 0 CHAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cccn2C)c2ccccc21 ZINC000154175492 261088647 /nfs/dbraw/zinc/08/86/47/261088647.db2.gz CLSVXGKZFZIFCD-CXAGYDPISA-N 1 0 254.377 3.753 10 0 CHAERO C[C@@H](CCn1cccn1)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000158978078 261175237 /nfs/dbraw/zinc/17/52/37/261175237.db2.gz FCDRROFBVCOLCH-HOCLYGCPSA-N 1 0 299.418 3.554 10 0 CHAERO Cc1ccccc1CCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000175902353 261251669 /nfs/dbraw/zinc/25/16/69/261251669.db2.gz HCWOBVLQPSWBQV-UHFFFAOYSA-N 1 0 297.446 3.541 10 0 CHAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000162419428 261281418 /nfs/dbraw/zinc/28/14/18/261281418.db2.gz VZPNAUWUZWVFCC-RDTXWAMCSA-N 1 0 284.403 3.560 10 0 CHAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000106215477 261323591 /nfs/dbraw/zinc/32/35/91/261323591.db2.gz NTYQCMYQTWFPOH-KRWDZBQOSA-N 1 0 283.419 3.591 10 0 CHAERO CCc1ccc([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)o1 ZINC000163874157 261332927 /nfs/dbraw/zinc/33/29/27/261332927.db2.gz OIVMDLMGKIAXEU-WMLDXEAASA-N 1 0 286.419 3.796 10 0 CHAERO Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664132 261340245 /nfs/dbraw/zinc/34/02/45/261340245.db2.gz VUYUOKLOCWPNQN-SJLPKXTDSA-N 1 0 295.430 3.855 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)COCc2ccccc2)o1 ZINC000178066536 261375673 /nfs/dbraw/zinc/37/56/73/261375673.db2.gz VYGMXBGBAYRGGF-HIFRSBDPSA-N 1 0 273.376 3.844 10 0 CHAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000178128315 261376459 /nfs/dbraw/zinc/37/64/59/261376459.db2.gz LQPSMNVABYLEIR-NEPJUHHUSA-N 1 0 255.789 3.806 10 0 CHAERO CC[NH2+]Cc1cccc(NC(=O)C[C@H](C)C(C)(C)C)c1 ZINC000108943447 261389879 /nfs/dbraw/zinc/38/98/79/261389879.db2.gz LKAJOLPAWCTPLN-ZDUSSCGKSA-N 1 0 276.424 3.807 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1cccc(C)c1 ZINC000311338667 262237749 /nfs/dbraw/zinc/23/77/49/262237749.db2.gz JQQALIBXSJHDME-SJORKVTESA-N 1 0 260.425 3.520 10 0 CHAERO Fc1cc(F)cc(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000221878644 262315360 /nfs/dbraw/zinc/31/53/60/262315360.db2.gz MMQOFMGGOLCOAD-OAHLLOKOSA-N 1 0 275.298 3.578 10 0 CHAERO CC1CCC(C[NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094372587 262349660 /nfs/dbraw/zinc/34/96/60/262349660.db2.gz RIZVPNYVAIMDRM-GPANFISMSA-N 1 0 297.508 3.847 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)CC(C)(C)C1 ZINC000021046741 262374912 /nfs/dbraw/zinc/37/49/12/262374912.db2.gz OMNWDNDJBPJBSQ-RBSFLKMASA-N 1 0 278.440 3.687 10 0 CHAERO COc1ccccc1C1CC([NH2+]Cc2ccsc2)C1 ZINC000063152392 262446298 /nfs/dbraw/zinc/44/62/98/262446298.db2.gz KWHABSMSOOANJL-UHFFFAOYSA-N 1 0 273.401 3.793 10 0 CHAERO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000289746874 263111911 /nfs/dbraw/zinc/11/19/11/263111911.db2.gz FEOZLKUSMHWQLV-ZDUSSCGKSA-N 1 0 271.408 3.866 10 0 CHAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956680 264337963 /nfs/dbraw/zinc/33/79/63/264337963.db2.gz ZMNVTASBGXTFSF-IAGOWNOFSA-N 1 0 288.435 3.560 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1C ZINC000324611293 328760951 /nfs/dbraw/zinc/76/09/51/328760951.db2.gz MNLMXFTUVCKMLK-GOEBONIOSA-N 1 0 263.425 3.669 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1C ZINC000324611292 328760953 /nfs/dbraw/zinc/76/09/53/328760953.db2.gz MNLMXFTUVCKMLK-GDBMZVCRSA-N 1 0 263.425 3.669 10 0 CHAERO CC[C@H](C)Oc1cccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000571275610 328097303 /nfs/dbraw/zinc/09/73/03/328097303.db2.gz RSNLRNSAOKOUHM-KKUMJFAQSA-N 1 0 276.424 3.664 10 0 CHAERO C[C@@H]([NH2+]C1CC(c2ccccc2Cl)C1)c1ncc[nH]1 ZINC000139017158 328101482 /nfs/dbraw/zinc/10/14/82/328101482.db2.gz ZXVJVYTYRZNOKB-VOMCLLRMSA-N 1 0 275.783 3.660 10 0 CHAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1F ZINC000280898564 328236818 /nfs/dbraw/zinc/23/68/18/328236818.db2.gz BKTDAANJQZNRRT-UTUOFQBUSA-N 1 0 283.362 3.819 10 0 CHAERO COc1ccccc1C1CC([NH2+]Cc2ccccc2F)C1 ZINC000036842506 326828990 /nfs/dbraw/zinc/82/89/90/326828990.db2.gz JWAOQCGIZOYVBC-UHFFFAOYSA-N 1 0 285.362 3.870 10 0 CHAERO COc1ccccc1C1CC([NH2+]Cc2ccccc2)C1 ZINC000036841044 326828996 /nfs/dbraw/zinc/82/89/96/326828996.db2.gz AISPDAZKGZRQOY-UHFFFAOYSA-N 1 0 267.372 3.731 10 0 CHAERO Cc1ccc(C2CC([NH2+][C@@H](C)c3ccncc3)C2)cc1 ZINC000036843028 326829112 /nfs/dbraw/zinc/82/91/12/326829112.db2.gz WAVNGWKCYSSTEP-NNGSBXSVSA-N 1 0 266.388 3.987 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)c(C)c1 ZINC000070479212 326917351 /nfs/dbraw/zinc/91/73/51/326917351.db2.gz XUWJRFJRYNJFAI-KGLIPLIRSA-N 1 0 255.365 3.505 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000087759505 327006579 /nfs/dbraw/zinc/00/65/79/327006579.db2.gz VQIXBYHJNYKAGL-QMTHXVAHSA-N 1 0 288.218 3.634 10 0 CHAERO COCc1cc([C@@H](C)Nc2cccnc2C)ccc1OC ZINC000091495459 327102550 /nfs/dbraw/zinc/10/25/50/327102550.db2.gz BDBSLBGPRXJXME-GFCCVEGCSA-N 1 0 286.375 3.718 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ccccc31)CC2 ZINC000092835531 327104073 /nfs/dbraw/zinc/10/40/73/327104073.db2.gz XTWSKYZFEYFMAF-OALUTQOASA-N 1 0 279.383 3.960 10 0 CHAERO CCC[C@H]([NH2+][C@@H](C)c1ncc(C)o1)C1CCCC1 ZINC000313421067 327128753 /nfs/dbraw/zinc/12/87/53/327128753.db2.gz DKOBYAZYYVWDGE-JSGCOSHPSA-N 1 0 250.386 3.993 10 0 CHAERO Cc1c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cnn1C ZINC000093649749 327133004 /nfs/dbraw/zinc/13/30/04/327133004.db2.gz AHYIBAAXECMRJN-JTQLQIEISA-N 1 0 297.324 3.598 10 0 CHAERO C[C@H]1CC(C[NH2+]C(C2CCC2)C2CCC2)C[C@H](C)O1 ZINC000558967928 327135560 /nfs/dbraw/zinc/13/55/60/327135560.db2.gz CVUPYJYMKHDCHO-STQMWFEESA-N 1 0 265.441 3.748 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@@H](C)C2)CC(C)(C)C1 ZINC000389139741 328629377 /nfs/dbraw/zinc/62/93/77/328629377.db2.gz RWCTWFIWJACOEI-BARDWOONSA-N 1 0 253.430 3.606 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000300414433 332814936 /nfs/dbraw/zinc/81/49/36/332814936.db2.gz LRFVRZKEKQPBKY-BPLDGKMQSA-N 1 0 275.392 3.515 10 0 CHAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000042336603 328763644 /nfs/dbraw/zinc/76/36/44/328763644.db2.gz VHGOWKFLEANMFP-STQMWFEESA-N 1 0 296.842 3.686 10 0 CHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000171523011 329076837 /nfs/dbraw/zinc/07/68/37/329076837.db2.gz VLPWZVUGEHQTOT-QGZVFWFLSA-N 1 0 283.419 3.591 10 0 CHAERO c1cc(C2CC[NH+](Cc3cc4ccccc4o3)CC2)n[nH]1 ZINC000178523720 329197947 /nfs/dbraw/zinc/19/79/47/329197947.db2.gz REVUBYDGQGWGBD-UHFFFAOYSA-N 1 0 281.359 3.536 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000178321407 329198648 /nfs/dbraw/zinc/19/86/48/329198648.db2.gz AHCKFSDBLCWTST-GFCCVEGCSA-N 1 0 295.839 3.571 10 0 CHAERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccoc1 ZINC000178430380 329200039 /nfs/dbraw/zinc/20/00/39/329200039.db2.gz WVBPBWHSOLQHEI-LBPRGKRZSA-N 1 0 276.405 3.661 10 0 CHAERO CC(C)c1csc([C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000179579108 329209593 /nfs/dbraw/zinc/20/95/93/329209593.db2.gz NPOSIDQXUPRQKQ-GFCCVEGCSA-N 1 0 264.438 3.998 10 0 CHAERO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cnn3ccccc23)o1 ZINC000179696181 329211644 /nfs/dbraw/zinc/21/16/44/329211644.db2.gz NNEGVZLJIBANLW-QGZVFWFLSA-N 1 0 295.386 3.963 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1ccco1 ZINC000180014332 329214643 /nfs/dbraw/zinc/21/46/43/329214643.db2.gz CMAUVZHQZWLLRA-KBPBESRZSA-N 1 0 270.376 3.554 10 0 CHAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C(F)F)cc1 ZINC000183954078 329255204 /nfs/dbraw/zinc/25/52/04/329255204.db2.gz OMYZJDCDPZQLGN-OAHLLOKOSA-N 1 0 282.378 3.540 10 0 CHAERO Cc1csc(C2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)n1 ZINC000184667061 329261906 /nfs/dbraw/zinc/26/19/06/329261906.db2.gz FZIRQJDYOAKVQN-AWEZNQCLSA-N 1 0 294.464 3.589 10 0 CHAERO Cc1nnc([C@@H](C)N[C@H](C)c2ccc(C(C)C)cc2)[nH]1 ZINC000392351616 329274513 /nfs/dbraw/zinc/27/45/13/329274513.db2.gz PXKDPDAPANPWIH-VXGBXAGGSA-N 1 0 272.396 3.648 10 0 CHAERO CCC[C@H](C)C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185864485 329333941 /nfs/dbraw/zinc/33/39/41/329333941.db2.gz SYBOGQWMYKULMO-AWEZNQCLSA-N 1 0 269.392 3.669 10 0 CHAERO Cn1cc([C@@H]2CCC[N@@H+]2CCCCc2ccccc2)cn1 ZINC000186947039 329350515 /nfs/dbraw/zinc/35/05/15/329350515.db2.gz NQVPEHXAHBXKAM-SFHVURJKSA-N 1 0 283.419 3.580 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(C)(C)CCCO ZINC000300414880 329367386 /nfs/dbraw/zinc/36/73/86/329367386.db2.gz QMXUTSHGESGUQP-OWCLPIDISA-N 1 0 269.473 3.836 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000188953518 329376092 /nfs/dbraw/zinc/37/60/92/329376092.db2.gz RTFZUDYRFGNEEW-HNNXBMFYSA-N 1 0 299.418 3.629 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@H]3CCC34CCCC4)CC2)nc1 ZINC000189134674 329376214 /nfs/dbraw/zinc/37/62/14/329376214.db2.gz HNGOIVYOLZAXNI-KRWDZBQOSA-N 1 0 299.462 3.671 10 0 CHAERO Cc1nc([C@@H]2CCCN2CCOCCC(C)C)cs1 ZINC000189803240 329389073 /nfs/dbraw/zinc/38/90/73/329389073.db2.gz YGSRMIMJCOOEMI-HNNXBMFYSA-N 1 0 282.453 3.651 10 0 CHAERO FC(F)Sc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000190335538 329394971 /nfs/dbraw/zinc/39/49/71/329394971.db2.gz GNRJKGPESBYXSE-MGPQQGTHSA-N 1 0 299.386 3.658 10 0 CHAERO CCCn1ccc(C[NH2+][C@H]2CCC[C@H](SC)C2)c1 ZINC000233452117 329400849 /nfs/dbraw/zinc/40/08/49/329400849.db2.gz ZNKBDQYEHPYWHG-GJZGRUSLSA-N 1 0 266.454 3.662 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1 ZINC000233451057 329400850 /nfs/dbraw/zinc/40/08/50/329400850.db2.gz ZNKBDQYEHPYWHG-CABCVRRESA-N 1 0 266.454 3.662 10 0 CHAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000149770270 329404386 /nfs/dbraw/zinc/40/43/86/329404386.db2.gz PWHSRTBVZSDXFN-CPCISQLKSA-N 1 0 274.589 3.601 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000128784772 329611765 /nfs/dbraw/zinc/61/17/65/329611765.db2.gz AWNWMFOHGNVVBV-FZQKWOKYSA-N 1 0 280.209 3.825 10 0 CHAERO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCSc2ccc(Cl)cc21 ZINC000396645152 329695009 /nfs/dbraw/zinc/69/50/09/329695009.db2.gz OFNPFFFTOAUTGV-BPNCWPANSA-N 1 0 296.867 3.607 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)c1C ZINC000247184318 329877294 /nfs/dbraw/zinc/87/72/94/329877294.db2.gz UBNMQOXEAHVBFN-GDIGMMSISA-N 1 0 281.399 3.612 10 0 CHAERO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000249105341 329904694 /nfs/dbraw/zinc/90/46/94/329904694.db2.gz PEMNTTTYRFJDNM-ZDEQEGDKSA-N 1 0 292.448 3.801 10 0 CHAERO CC1(C)CN(Cc2csc(Cl)c2Cl)CC[C@@H]1[NH3+] ZINC000261648441 329974420 /nfs/dbraw/zinc/97/44/20/329974420.db2.gz AXFYSMVMIGPKIK-VIFPVBQESA-N 1 0 293.263 3.614 10 0 CHAERO c1coc(CC[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000035661593 330248928 /nfs/dbraw/zinc/24/89/28/330248928.db2.gz RPPADBCWDSOWFI-QGZVFWFLSA-N 1 0 267.328 3.794 10 0 CHAERO CC[NH+](CC)C[C@H](C)N[C@@H](c1ccco1)c1ccccc1 ZINC000045690629 330348500 /nfs/dbraw/zinc/34/85/00/330348500.db2.gz VDALNEWANOHHNH-MAUKXSAKSA-N 1 0 286.419 3.689 10 0 CHAERO CCn1cc(C2CC[NH+](C[C@H](C)c3ccccc3)CC2)cn1 ZINC000116878212 330361165 /nfs/dbraw/zinc/36/11/65/330361165.db2.gz HOFDBSLTRVAJNA-INIZCTEOSA-N 1 0 297.446 3.886 10 0 CHAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087761806 330374215 /nfs/dbraw/zinc/37/42/15/330374215.db2.gz GRWJELCDVIYBFW-QMTHXVAHSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000087758691 330374222 /nfs/dbraw/zinc/37/42/22/330374222.db2.gz JVOUQBAWEWVCCO-RNCFNFMXSA-N 1 0 274.191 3.651 10 0 CHAERO CCC1(CC)C[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000536951337 330382403 /nfs/dbraw/zinc/38/24/03/330382403.db2.gz QNRMGNJCZFECKH-CYBMUJFWSA-N 1 0 282.225 3.942 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(OC(F)(F)F)c1 ZINC000120555497 330389479 /nfs/dbraw/zinc/38/94/79/330389479.db2.gz WXBVPHSPCCSBHP-PTRXPTGYSA-N 1 0 259.271 3.644 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)Cc2cccs2)c1 ZINC000091010881 330397833 /nfs/dbraw/zinc/39/78/33/330397833.db2.gz KNUUNMHBJARBLH-CYBMUJFWSA-N 1 0 262.422 3.680 10 0 CHAERO CCCn1ccc(C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000091013313 330397887 /nfs/dbraw/zinc/39/78/87/330397887.db2.gz AYWJDXCHUMPEMP-UHFFFAOYSA-N 1 0 262.784 3.841 10 0 CHAERO Cc1nc(C[NH2+][C@H]2CCc3ccccc32)sc1C ZINC000094965481 330430129 /nfs/dbraw/zinc/43/01/29/330430129.db2.gz TXAYJWNHBBPQEJ-AWEZNQCLSA-N 1 0 258.390 3.537 10 0 CHAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000152323253 330631715 /nfs/dbraw/zinc/63/17/15/330631715.db2.gz GPGAWPKJIBJXJR-IUODEOHRSA-N 1 0 275.417 3.542 10 0 CHAERO CCOC[C@H](C)[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156739725 330745560 /nfs/dbraw/zinc/74/55/60/330745560.db2.gz JVZXWACBIVSUDN-XJKSGUPXSA-N 1 0 261.409 3.715 10 0 CHAERO CC(C)CC[NH+](CCC(C)C)Cc1nnc(C2CC2)n1C ZINC000195063244 331134838 /nfs/dbraw/zinc/13/48/38/331134838.db2.gz YWZBRQNPFCDSNO-UHFFFAOYSA-N 1 0 292.471 3.587 10 0 CHAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000466407175 331395407 /nfs/dbraw/zinc/39/54/07/331395407.db2.gz ABAKCJGGIWRBCO-YIDVYQOGSA-N 1 0 253.430 3.748 10 0 CHAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000466407173 331395453 /nfs/dbraw/zinc/39/54/53/331395453.db2.gz ABAKCJGGIWRBCO-JKJDWNRSSA-N 1 0 253.430 3.748 10 0 CHAERO Cc1ccc(C)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000466407996 331395548 /nfs/dbraw/zinc/39/55/48/331395548.db2.gz DKFFUMJQJSSWGI-MUJYYYPQSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2ccc(F)c(Cl)c2)C[C@H](C)O1 ZINC000466411792 331395680 /nfs/dbraw/zinc/39/56/80/331395680.db2.gz GPZDKYOXVXMMDJ-QWRGUYRKSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000466423542 331396379 /nfs/dbraw/zinc/39/63/79/331396379.db2.gz ATTAVNANJMVMMB-LXTVHRRPSA-N 1 0 253.430 3.748 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2ccc(Cl)s2)C[C@H](C)O1 ZINC000466427191 331396688 /nfs/dbraw/zinc/39/66/88/331396688.db2.gz VUCZLHUJDQGSIN-UWVGGRQHSA-N 1 0 273.829 3.695 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000467435855 331419172 /nfs/dbraw/zinc/41/91/72/331419172.db2.gz LFOVAFTTXCOKAL-BASYENTBSA-N 1 0 273.420 3.776 10 0 CHAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000467439005 331419318 /nfs/dbraw/zinc/41/93/18/331419318.db2.gz JXNOGAGAEREPDB-JHJVBQTASA-N 1 0 289.410 3.994 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000467438270 331419326 /nfs/dbraw/zinc/41/93/26/331419326.db2.gz ZUTSXTBAVUGPST-XGUBFFRZSA-N 1 0 253.430 3.748 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(Cl)s1 ZINC000153816999 334680170 /nfs/dbraw/zinc/68/01/70/334680170.db2.gz CIFYQXQKBMZTAX-WOPDTQHZSA-N 1 0 287.856 3.993 10 0 CHAERO CCc1cc(N[C@H]2CCOc3ccccc32)cc[nH+]1 ZINC000307766465 333016119 /nfs/dbraw/zinc/01/61/19/333016119.db2.gz DTADJCHYWDHERF-HNNXBMFYSA-N 1 0 254.333 3.580 10 0 CHAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1C[C@@H]1C ZINC000309556305 333045431 /nfs/dbraw/zinc/04/54/31/333045431.db2.gz JUQYWMFKCAYMGN-RWEMILLDSA-N 1 0 286.188 3.517 10 0 CHAERO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000311288369 333066757 /nfs/dbraw/zinc/06/67/57/333066757.db2.gz PEWURVFCXJCEEA-NXOAAHMSSA-N 1 0 267.457 3.684 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]CC[C@@H](C)c2ccccc2)o1 ZINC000220931570 333170883 /nfs/dbraw/zinc/17/08/83/333170883.db2.gz QDMPCRZXIIZRBC-OCCSQVGLSA-N 1 0 258.365 3.827 10 0 CHAERO CCC[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000187669395 333173659 /nfs/dbraw/zinc/17/36/59/333173659.db2.gz GLPJRBDCAFTOFI-OLZOCXBDSA-N 1 0 252.427 3.820 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000222249234 333178426 /nfs/dbraw/zinc/17/84/26/333178426.db2.gz QHRJATMSZHAHIO-PMPSAXMXSA-N 1 0 267.457 3.854 10 0 CHAERO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2c2ccco2)s1 ZINC000172822659 335123179 /nfs/dbraw/zinc/12/31/79/335123179.db2.gz UKTDJZZUACRXQV-LBPRGKRZSA-N 1 0 262.378 3.690 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C(C)C)CCS2 ZINC000191488554 333220399 /nfs/dbraw/zinc/22/03/99/333220399.db2.gz RTJKZNNZHVCXOI-FZMZJTMJSA-N 1 0 265.422 3.866 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000226619796 333266188 /nfs/dbraw/zinc/26/61/88/333266188.db2.gz BBWZFWXGMOUIMV-NXHRZFHOSA-N 1 0 266.388 3.949 10 0 CHAERO CCCn1cc(C[NH2+][C@@H](C)c2ccc(C)cc2C)cn1 ZINC000227284466 333279736 /nfs/dbraw/zinc/27/97/36/333279736.db2.gz UURRSUQWFABGEB-HNNXBMFYSA-N 1 0 271.408 3.761 10 0 CHAERO OCC[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000227567933 333285983 /nfs/dbraw/zinc/28/59/83/333285983.db2.gz AMHIMVRFFSRKTL-QGZVFWFLSA-N 1 0 281.399 3.558 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cccc(-c2ccncc2)c1 ZINC000250062531 333302065 /nfs/dbraw/zinc/30/20/65/333302065.db2.gz NEJNOEJSZFHCFN-DOPJRALCSA-N 1 0 296.414 3.559 10 0 CHAERO FC(F)(F)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250233670 333303607 /nfs/dbraw/zinc/30/36/07/333303607.db2.gz CDMILAAKULCQLL-KBPBESRZSA-N 1 0 284.325 3.744 10 0 CHAERO CCN(C(=O)CC1(C[NH3+])CCCCC1)c1cccc(C)c1 ZINC000229404291 333304579 /nfs/dbraw/zinc/30/45/79/333304579.db2.gz HNRHZZSQUFISLS-UHFFFAOYSA-N 1 0 288.435 3.647 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)C(C)C ZINC000037301665 333531546 /nfs/dbraw/zinc/53/15/46/333531546.db2.gz ISSMNNHIMZWRSX-WFASDCNBSA-N 1 0 265.397 3.789 10 0 CHAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)c1ccc(C)o1)CC2 ZINC000129485210 333770246 /nfs/dbraw/zinc/77/02/46/333770246.db2.gz JFFYQBNJGYBGNX-XJKSGUPXSA-N 1 0 285.387 3.805 10 0 CHAERO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000070272727 333805511 /nfs/dbraw/zinc/80/55/11/333805511.db2.gz MNIFWQWGCHKIIU-AWEZNQCLSA-N 1 0 277.408 3.804 10 0 CHAERO c1ccc(C2CC([NH2+][C@@H]3COc4ccccc43)C2)cc1 ZINC000070528783 333814844 /nfs/dbraw/zinc/81/48/44/333814844.db2.gz DAEDBUINOGNGSC-VMBOVVBDSA-N 1 0 265.356 3.656 10 0 CHAERO CCc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)s1 ZINC000545960116 334009171 /nfs/dbraw/zinc/00/91/71/334009171.db2.gz RRBMEDWWZRWALZ-RYUDHWBXSA-N 1 0 267.438 3.604 10 0 CHAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000134240140 334085292 /nfs/dbraw/zinc/08/52/92/334085292.db2.gz JFYFXQQFONZUTP-MLGOLLRUSA-N 1 0 273.401 3.682 10 0 CHAERO CC[C@H]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)C1 ZINC000080429154 334171461 /nfs/dbraw/zinc/17/14/61/334171461.db2.gz PSFZYWFXIDBBQK-DOTOQJQBSA-N 1 0 272.436 3.608 10 0 CHAERO CCOCc1ccccc1C[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000080457104 334171634 /nfs/dbraw/zinc/17/16/34/334171634.db2.gz NLDGPNMFPNRULM-RHSMWYFYSA-N 1 0 261.409 3.891 10 0 CHAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC000245199137 334184648 /nfs/dbraw/zinc/18/46/48/334184648.db2.gz BMRYWXOSHJQJSC-IAGOWNOFSA-N 1 0 288.435 3.518 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H]1CCCc2ccccc21 ZINC000247147749 334276491 /nfs/dbraw/zinc/27/64/91/334276491.db2.gz UCSOVEJYWLKGAN-MJGOQNOKSA-N 1 0 295.430 3.734 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000246993685 334273525 /nfs/dbraw/zinc/27/35/25/334273525.db2.gz MSOLZRKXEIVIIG-BYCMXARLSA-N 1 0 295.423 3.503 10 0 CHAERO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246093773 334231284 /nfs/dbraw/zinc/23/12/84/334231284.db2.gz GWRNHEXIQOGCNH-FUHWJXTLSA-N 1 0 295.430 3.967 10 0 CHAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)[C@H]1CCCO1 ZINC000247114273 334275901 /nfs/dbraw/zinc/27/59/01/334275901.db2.gz QTJYFMKSJSWYAR-UTJXIGIESA-N 1 0 259.393 3.782 10 0 CHAERO C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247646310 334286969 /nfs/dbraw/zinc/28/69/69/334286969.db2.gz UKGJDALPLICUPN-LRDDRELGSA-N 1 0 289.810 3.972 10 0 CHAERO Cc1cccc([C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000247990466 334292849 /nfs/dbraw/zinc/29/28/49/334292849.db2.gz JIRLBZUEYUNEGE-JQHSSLGASA-N 1 0 273.420 3.683 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)c(C)s1 ZINC000248148826 334295807 /nfs/dbraw/zinc/29/58/07/334295807.db2.gz QMVBKTWTEOPHRW-WHOFXGATSA-N 1 0 267.438 3.567 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)C[C@@H](C)CC)C12CCOCC2 ZINC000248624818 334309625 /nfs/dbraw/zinc/30/96/25/334309625.db2.gz CTGHEKPOOAOLKY-VVLHAWIVSA-N 1 0 297.483 3.765 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248690439 334313435 /nfs/dbraw/zinc/31/34/35/334313435.db2.gz IYHLKBDCMSNSBD-PWSUYJOCSA-N 1 0 272.845 3.536 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCCC(C)C)C12CCOCC2 ZINC000248973402 334323590 /nfs/dbraw/zinc/32/35/90/334323590.db2.gz HCNNIQOCEVIVQH-BRWVUGGUSA-N 1 0 297.483 3.765 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C)CC2)C12CCOCC2 ZINC000249052439 334326000 /nfs/dbraw/zinc/32/60/00/334326000.db2.gz GIMVVBJRTQRRMP-WCXIOVBPSA-N 1 0 295.467 3.519 10 0 CHAERO CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccsc1 ZINC000249066927 334326458 /nfs/dbraw/zinc/32/64/58/334326458.db2.gz IWTLZDVVDCMBTG-AEGPPILISA-N 1 0 267.438 3.730 10 0 CHAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000249086917 334327136 /nfs/dbraw/zinc/32/71/36/334327136.db2.gz JCQODJYSSWOTAP-COXVUDFISA-N 1 0 273.420 3.715 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000249464339 334334464 /nfs/dbraw/zinc/33/44/64/334334464.db2.gz GJILYUGRGDNOGL-GMEUVTARSA-N 1 0 286.238 3.960 10 0 CHAERO C[C@H](c1ccccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251595456 334365135 /nfs/dbraw/zinc/36/51/35/334365135.db2.gz YJLFCNKGDBWGBH-KGLIPLIRSA-N 1 0 278.827 3.571 10 0 CHAERO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000251751177 334368748 /nfs/dbraw/zinc/36/87/48/334368748.db2.gz GYFRJTFKVOZKNG-YDHLFZDLSA-N 1 0 274.408 3.509 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)C[C@H]1C ZINC000251751744 334368753 /nfs/dbraw/zinc/36/87/53/334368753.db2.gz JUCQQDGOHRARGQ-HGTKMLMNSA-N 1 0 286.419 3.509 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cc2ccccc2s1 ZINC000252804934 334393819 /nfs/dbraw/zinc/39/38/19/334393819.db2.gz DVOWSYAMBFZBPY-FPMFFAJLSA-N 1 0 275.417 3.855 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c1C ZINC000153732172 334678206 /nfs/dbraw/zinc/67/82/06/334678206.db2.gz MZFOEFQPJRTYFB-UXLLHSPISA-N 1 0 261.409 3.505 10 0 CHAERO CC/C=C\CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000343576757 335210950 /nfs/dbraw/zinc/21/09/50/335210950.db2.gz VUECFRZNIGNNIQ-FMFIFOJESA-N 1 0 263.381 3.711 10 0 CHAERO Cc1cccc(C2CC([NH2+]C[C@H]3CCO[C@H](C)C3)C2)c1 ZINC000364240096 335897531 /nfs/dbraw/zinc/89/75/31/335897531.db2.gz WGJVJYHIOQLGLB-WWXIPJKBSA-N 1 0 273.420 3.646 10 0 CHAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000380599008 336003306 /nfs/dbraw/zinc/00/33/06/336003306.db2.gz ZCRHVFOXBSJHTH-CWQOZTLDSA-N 1 0 279.468 3.828 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]C[C@H](C)C2CCCCC2)o1 ZINC000381199943 336054687 /nfs/dbraw/zinc/05/46/87/336054687.db2.gz BXYXZLQIVWPARH-WCQYABFASA-N 1 0 250.386 3.850 10 0 CHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000581523788 336094684 /nfs/dbraw/zinc/09/46/84/336094684.db2.gz LQKXFMBNWUKDIC-OWCLPIDISA-N 1 0 261.434 3.938 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C2CCC2)c1C ZINC000385083581 336137470 /nfs/dbraw/zinc/13/74/70/336137470.db2.gz ZLQMXQRQBYJAAI-GFCCVEGCSA-N 1 0 277.456 3.997 10 0 CHAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000385914045 336161343 /nfs/dbraw/zinc/16/13/43/336161343.db2.gz IGEHLMDJCWUBBZ-HJSHSUPBSA-N 1 0 259.393 3.707 10 0 CHAERO CC(C)(C)[NH2+]Cc1cnc(Cc2cccc(F)c2)s1 ZINC000052331499 518767252 /nfs/dbraw/zinc/76/72/52/518767252.db2.gz NTUYZUZBICPLBX-UHFFFAOYSA-N 1 0 278.396 3.761 10 0 CHAERO CC(C)C[NH2+]CCC[C@H](C)O[C@H]1CCC[C@@H](C)C1 ZINC000052632055 519743750 /nfs/dbraw/zinc/74/37/50/519743750.db2.gz LAOQGQZLYBGGQO-PMPSAXMXSA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)C[NH2+]CCCc1ccccc1Br ZINC000052949577 519744252 /nfs/dbraw/zinc/74/42/52/519744252.db2.gz OABLKJJIWKGDQU-UHFFFAOYSA-N 1 0 270.214 3.627 10 0 CHAERO CC(C)C[NH2+]Cc1ccccc1N(C)[C@@H](C)C(C)C ZINC000062736043 519747722 /nfs/dbraw/zinc/74/77/22/519747722.db2.gz XPRQQLUTFLTLOL-HNNXBMFYSA-N 1 0 262.441 3.913 10 0 CHAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ncc(Cl)cc1Cl ZINC000049558263 519776278 /nfs/dbraw/zinc/77/62/78/519776278.db2.gz BLUIQZNQYGEKKF-NSHDSACASA-N 1 0 290.238 3.777 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](c1cccs1)C(C)C ZINC000049198480 519814695 /nfs/dbraw/zinc/81/46/95/519814695.db2.gz RWDFQAHBXLMPPS-DZGCQCFKSA-N 1 0 268.470 3.621 10 0 CHAERO CCC[NH2+]CCCOc1ccc(Br)cc1C ZINC000063062162 519912794 /nfs/dbraw/zinc/91/27/94/519912794.db2.gz XVGPWDIENKGOCB-UHFFFAOYSA-N 1 0 286.213 3.526 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccc(OC)cc2)nc1C ZINC000052330534 519973273 /nfs/dbraw/zinc/97/32/73/519973273.db2.gz IVHCYEAIQPQLFU-UHFFFAOYSA-N 1 0 276.405 3.627 10 0 CHAERO CC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000054591942 519982070 /nfs/dbraw/zinc/98/20/70/519982070.db2.gz RCFXHTKTZQTVRW-OLZOCXBDSA-N 1 0 257.299 3.593 10 0 CHAERO CC[NH2+]C[C@]1(CCOCCC(C)C)C[C@H]2CC[C@@H]1C2 ZINC000054638969 519983146 /nfs/dbraw/zinc/98/31/46/519983146.db2.gz GVULOPMRIOMBDM-BBWFWOEESA-N 1 0 267.457 3.855 10 0 CHAERO CCC[NH2+][C@@H]1CCC[C@H]1c1cc(Cl)ccc1OC ZINC000055232001 520023591 /nfs/dbraw/zinc/02/35/91/520023591.db2.gz FEQQTCXTSABUGC-GXTWGEPZSA-N 1 0 267.800 3.984 10 0 CHAERO CC[NH2+]Cc1sc(-c2c(F)cccc2F)nc1C ZINC000052330272 520030084 /nfs/dbraw/zinc/03/00/84/520030084.db2.gz CILQLDMHYRFYFB-UHFFFAOYSA-N 1 0 268.332 3.506 10 0 CHAERO CCC[NH2+][C@H](CC)c1cnn(CCC(C)(C)C)c1 ZINC000054722965 520070133 /nfs/dbraw/zinc/07/01/33/520070133.db2.gz UNOGOWQCDUGOEZ-CQSZACIVSA-N 1 0 251.418 3.770 10 0 CHAERO CCCCC[C@H](C)N1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602885 520301004 /nfs/dbraw/zinc/30/10/04/520301004.db2.gz BJDXGSPFKHWVET-HNSVSWJLSA-N 1 0 252.446 3.560 10 0 CHAERO CC1CCC(N(C)c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052857122 520936766 /nfs/dbraw/zinc/93/67/66/520936766.db2.gz CIYXWUXXJRWRIW-UHFFFAOYSA-N 1 0 266.816 3.814 10 0 CHAERO CCN(CCC[NH2+]C1CCCC1)c1ccccc1F ZINC000053499542 521021024 /nfs/dbraw/zinc/02/10/24/521021024.db2.gz HNIAHPHZGNZQFF-UHFFFAOYSA-N 1 0 264.388 3.574 10 0 CHAERO CC[C@@H](C)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000054468272 521996137 /nfs/dbraw/zinc/99/61/37/521996137.db2.gz JYSDCYRRWIHXBN-SECBINFHSA-N 1 0 263.353 3.871 10 0 CHAERO C[NH2+]Cc1ccc(Oc2ccc(F)c(F)c2)c(C)c1 ZINC000050562606 522124560 /nfs/dbraw/zinc/12/45/60/522124560.db2.gz LDHIVOXIAZNJBT-UHFFFAOYSA-N 1 0 263.287 3.785 10 0 CHAERO CC[C@H](C[NH2+]C1CC1)Oc1cc(C)ccc1Cl ZINC000052697313 522193477 /nfs/dbraw/zinc/19/34/77/522193477.db2.gz VCCURDZWXIRJCB-GFCCVEGCSA-N 1 0 253.773 3.558 10 0 CHAERO C[NH2+][C@@H](C)c1cnc(N2CCC[C@@H]2C2CCCC2)s1 ZINC000054907456 522337763 /nfs/dbraw/zinc/33/77/63/522337763.db2.gz UXWAJDNCOAOQRW-WCQYABFASA-N 1 0 279.453 3.583 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(F)c1F)C1CCC(C)CC1 ZINC000060703163 522362501 /nfs/dbraw/zinc/36/25/01/522362501.db2.gz RDWJBNSRURBCQB-QOZQQMKHSA-N 1 0 267.363 3.922 10 0 CHAERO CCc1nc(N(C)c2ccc(C)cc2)sc1C[NH2+]C ZINC000054999784 522381007 /nfs/dbraw/zinc/38/10/07/522381007.db2.gz IRYSRMCAAXMDCE-UHFFFAOYSA-N 1 0 275.421 3.501 10 0 CHAERO C[NH2+][C@H](C)c1sc(N(C)c2cccc(C)c2)nc1C ZINC000054907357 522456102 /nfs/dbraw/zinc/45/61/02/522456102.db2.gz DYOBZGRGWWKZNA-LLVKDONJSA-N 1 0 275.421 3.808 10 0 CHAERO [NH3+]CCc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000003708166 518197395 /nfs/dbraw/zinc/19/73/95/518197395.db2.gz JTFCKXIBYSMKJV-UHFFFAOYSA-N 1 0 273.188 3.618 10 0 CHAERO CC(C)(C)[NH2+]C[C@]1(Cc2ccccc2Cl)CCOC1 ZINC000054665524 518762043 /nfs/dbraw/zinc/76/20/43/518762043.db2.gz ITIDKYJGEQMXRH-MRXNPFEDSA-N 1 0 281.827 3.677 10 0 CHAERO CC(C)C[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccc(Cl)cc1 ZINC000062708895 519271147 /nfs/dbraw/zinc/27/11/47/519271147.db2.gz DGZOAXLXTJYPSX-MRXNPFEDSA-N 1 0 294.870 3.939 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccccc1F ZINC000062707742 519273323 /nfs/dbraw/zinc/27/33/23/519273323.db2.gz IAAYVUKUFMEHJN-SJLPKXTDSA-N 1 0 292.442 3.670 10 0 CHAERO CC(C)C[C@@H]1[NH2+]CC[C@H]1c1cccc(OC(C)C)c1 ZINC000054929176 519282221 /nfs/dbraw/zinc/28/22/21/519282221.db2.gz KFOCBSIYOWDCLY-IRXDYDNUSA-N 1 0 261.409 3.965 10 0 CHAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc(SC(F)(F)F)cc1 ZINC000054929533 519370113 /nfs/dbraw/zinc/37/01/13/519370113.db2.gz WWLLJOYYJPQQHT-RYUDHWBXSA-N 1 0 293.354 3.705 10 0 CHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2cncnc2)cc1 ZINC000054767376 519445816 /nfs/dbraw/zinc/44/58/16/519445816.db2.gz SBKSONGGGXQOFC-CQSZACIVSA-N 1 0 269.392 3.526 10 0 CHAERO CC(C)C1CCC([NH2+][C@@H](C)CN2CCCCC2)CC1 ZINC000054555906 519567812 /nfs/dbraw/zinc/56/78/12/519567812.db2.gz UOQVEWGHTYBWMB-GTPINHCMSA-N 1 0 266.473 3.665 10 0 CHAERO CC(C)CCOCC[C@@H](C[NH3+])Cc1ccccc1Cl ZINC000052948577 519669351 /nfs/dbraw/zinc/66/93/51/519669351.db2.gz BPGZGEFPMRAHGO-CQSZACIVSA-N 1 0 283.843 3.910 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000053010665 519723500 /nfs/dbraw/zinc/72/35/00/519723500.db2.gz DFOSBCNMYGBEEM-HNNXBMFYSA-N 1 0 274.452 3.808 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2cc(Cl)ccc2Cl)C1 ZINC000053010538 519725358 /nfs/dbraw/zinc/72/53/58/519725358.db2.gz HIDAKKCWNWXYAR-LLVKDONJSA-N 1 0 287.234 3.818 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000053010995 519725396 /nfs/dbraw/zinc/72/53/96/519725396.db2.gz HGNPSANXCSYDCD-GFCCVEGCSA-N 1 0 286.341 3.530 10 0 CHAERO CC(C)[NH2+]Cc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000054719689 519728440 /nfs/dbraw/zinc/72/84/40/519728440.db2.gz LGSHEWHIWYVYAA-UHFFFAOYSA-N 1 0 298.217 3.736 10 0 CHAERO CC(C)CNC(=[NH2+])Nc1ccc(SC(F)F)cc1 ZINC000052069940 519733302 /nfs/dbraw/zinc/73/33/02/519733302.db2.gz JZQGPOMIVQXDTA-UHFFFAOYSA-N 1 0 273.352 3.594 10 0 CHAERO CC(C)CO[C@@]1(C[NH2+]C(C)(C)C)CCC[C@H](C)C1 ZINC000050504369 519761328 /nfs/dbraw/zinc/76/13/28/519761328.db2.gz MUGQABZXOFMYMP-HOCLYGCPSA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)[C@@H](C[NH+](C)C)Nc1ccccc1C(F)(F)F ZINC000051692202 519794058 /nfs/dbraw/zinc/79/40/58/519794058.db2.gz ILDZGIMBZMMRNQ-CYBMUJFWSA-N 1 0 274.330 3.704 10 0 CHAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCC(C)(C)CC1 ZINC000061823261 519794790 /nfs/dbraw/zinc/79/47/90/519794790.db2.gz YUACEVRXOBAONB-CQSZACIVSA-N 1 0 254.462 3.521 10 0 CHAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@H+](C)C2CCCCC2)C1 ZINC000054558909 519801759 /nfs/dbraw/zinc/80/17/59/519801759.db2.gz WGQIKSKJRUTBNP-CABCVRRESA-N 1 0 265.441 3.892 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cccc(Cl)c1 ZINC000062708906 519804861 /nfs/dbraw/zinc/80/48/61/519804861.db2.gz SWNZTZRSZJEQEM-SJORKVTESA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@H](C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000052972501 519815859 /nfs/dbraw/zinc/81/58/59/519815859.db2.gz AZXNYKGFXFRFNG-LBPRGKRZSA-N 1 0 253.336 3.532 10 0 CHAERO CC(C)[C@H]1CCc2nc([C@@H]3CCCC[NH2+]3)sc2C1 ZINC000054556894 519826075 /nfs/dbraw/zinc/82/60/75/519826075.db2.gz ODEWLEPAFFSKES-AAEUAGOBSA-N 1 0 264.438 3.719 10 0 CHAERO CCCC1CCC([NH2+][C@@H]2CCCCC[C@@H]2O)CC1 ZINC000049545129 519899342 /nfs/dbraw/zinc/89/93/42/519899342.db2.gz JVSWBGLEQMDUDO-FJBKBRRZSA-N 1 0 253.430 3.629 10 0 CHAERO CCC[NH2+]CC[C@@H](C)N(C)Cc1ccc(Cl)s1 ZINC000052509259 519918480 /nfs/dbraw/zinc/91/84/80/519918480.db2.gz SGYIAYLETFSPGO-LLVKDONJSA-N 1 0 274.861 3.612 10 0 CHAERO CCC[NH2+]CCn1c(C)c(Br)c2ccccc21 ZINC000055331934 519920139 /nfs/dbraw/zinc/92/01/39/519920139.db2.gz XNWLVHZEPBPXLR-UHFFFAOYSA-N 1 0 295.224 3.712 10 0 CHAERO CCC[NH2+]C[C@@H](CCCOCC(F)(F)F)C(C)C ZINC000052972067 519921221 /nfs/dbraw/zinc/92/12/21/519921221.db2.gz VRGKXAIEYLQKHB-GFCCVEGCSA-N 1 0 269.351 3.617 10 0 CHAERO CCC[NH2+]C[C@@H](OC(C)(C)C)c1ccccc1F ZINC000050484060 519922046 /nfs/dbraw/zinc/92/20/46/519922046.db2.gz WEWSYGSLHXEKRV-CQSZACIVSA-N 1 0 253.361 3.682 10 0 CHAERO CCC[NH2+]Cc1ccc(CO[C@@H](C)CC(C)C)o1 ZINC000052603336 519949524 /nfs/dbraw/zinc/94/95/24/519949524.db2.gz LJGAYZQAIVTGAO-ZDUSSCGKSA-N 1 0 253.386 3.730 10 0 CHAERO CC[NH2+]Cc1cc(Cl)ccc1OC[C@H](C)CC ZINC000050423634 519990145 /nfs/dbraw/zinc/99/01/45/519990145.db2.gz SGQVMEWFSUNFNB-LLVKDONJSA-N 1 0 255.789 3.874 10 0 CHAERO CCC[NH2+][C@@H](CCCOC)c1ccc(C)c(F)c1 ZINC000053827146 519993977 /nfs/dbraw/zinc/99/39/77/519993977.db2.gz YHENKIRHWTVNGL-HNNXBMFYSA-N 1 0 253.361 3.601 10 0 CHAERO CCC[NH2+][C@@H](Cc1csc(C)n1)C[C@H](C)CC ZINC000055296266 520015461 /nfs/dbraw/zinc/01/54/61/520015461.db2.gz UXYLQQCHJFNZND-DGCLKSJQSA-N 1 0 254.443 3.798 10 0 CHAERO CCC[NH2+][C@@H](c1cncc(F)c1)c1ccccc1Cl ZINC000050438859 520020003 /nfs/dbraw/zinc/02/00/03/520020003.db2.gz MQLOWIHLCFMAKI-HNNXBMFYSA-N 1 0 278.758 3.963 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccc(C)c(F)c2)nc1C ZINC000052330260 520031186 /nfs/dbraw/zinc/03/11/86/520031186.db2.gz CBESZDUQNSOOOO-UHFFFAOYSA-N 1 0 264.369 3.676 10 0 CHAERO CCC[NH2+][C@H](CSC)Cc1ccc(F)cc1Cl ZINC000054496695 520084734 /nfs/dbraw/zinc/08/47/34/520084734.db2.gz MMNDHOQSXHXMBL-LBPRGKRZSA-N 1 0 275.820 3.753 10 0 CHAERO CC[NH2+][C@@H](CCOC)Cc1ccc(Cl)cc1Cl ZINC000053825953 520091137 /nfs/dbraw/zinc/09/11/37/520091137.db2.gz DEOTVDRQLBLNKX-LBPRGKRZSA-N 1 0 276.207 3.551 10 0 CHAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1n1ccnc1C ZINC000054555855 520095705 /nfs/dbraw/zinc/09/57/05/520095705.db2.gz OHQZAEZVFYMKDC-JYJNAYRXSA-N 1 0 263.429 3.557 10 0 CHAERO CC[NH2+][C@@H](Cc1csc(C)n1)C1CCCCC1 ZINC000055295481 520105629 /nfs/dbraw/zinc/10/56/29/520105629.db2.gz LWHILYZVYGYAPY-AWEZNQCLSA-N 1 0 252.427 3.552 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C(C)C)cc1)C1CCOCC1 ZINC000061672128 520110095 /nfs/dbraw/zinc/11/00/95/520110095.db2.gz UCDXRCLUPIIZDP-KRWDZBQOSA-N 1 0 261.409 3.887 10 0 CHAERO CC[NH2+][C@@H]1CCCCC[C@H]1Oc1cccc(F)c1F ZINC000062613298 520117035 /nfs/dbraw/zinc/11/70/35/520117035.db2.gz ROHQSOGAJSVTCB-CHWSQXEVSA-N 1 0 269.335 3.654 10 0 CHAERO CCCCCC[C@@H](C)OCc1cc(C[NH2+]CC)no1 ZINC000052630865 520119659 /nfs/dbraw/zinc/11/96/59/520119659.db2.gz RZEIGCVFXKNYEC-CYBMUJFWSA-N 1 0 268.401 3.660 10 0 CHAERO CC[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000049711787 520120208 /nfs/dbraw/zinc/12/02/08/520120208.db2.gz CPSPRDPNUHUTAV-IINYFYTJSA-N 1 0 287.234 3.818 10 0 CHAERO CCC[NH2+][C@]1(c2nc(C(C)C)cs2)CCCSC1 ZINC000061590749 520128190 /nfs/dbraw/zinc/12/81/90/520128190.db2.gz FKQLOAGGPGGZRC-CQSZACIVSA-N 1 0 284.494 3.988 10 0 CHAERO CCCCC[N@H+](C)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054558983 520151829 /nfs/dbraw/zinc/15/18/29/520151829.db2.gz LLQXLWMYEOUIAS-CABCVRRESA-N 1 0 253.430 3.750 10 0 CHAERO CC[NH2+][C@H](C)[C@@H](CCCOCC(F)(F)F)C(C)C ZINC000061687070 520176266 /nfs/dbraw/zinc/17/62/66/520176266.db2.gz DQCLZZCIMGOEHQ-NEPJUHHUSA-N 1 0 269.351 3.616 10 0 CHAERO CCCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705179 520182086 /nfs/dbraw/zinc/18/20/86/520182086.db2.gz WUHMETUWVZSXFT-RBUKOAKNSA-N 1 0 288.479 3.718 10 0 CHAERO CCCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062625634 520182556 /nfs/dbraw/zinc/18/25/56/520182556.db2.gz DCIVKHLNSDIHNK-JKSUJKDBSA-N 1 0 254.462 3.521 10 0 CHAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CCCCO1 ZINC000050962178 520207297 /nfs/dbraw/zinc/20/72/97/520207297.db2.gz CGODTPNEVOSDBJ-SKDRFNHKSA-N 1 0 259.802 3.621 10 0 CHAERO CC[NH2+][C@H]1CCCC[C@H]1c1cccc2cnccc21 ZINC000061124701 520213663 /nfs/dbraw/zinc/21/36/63/520213663.db2.gz ARHGIDVNNBUIIK-IRXDYDNUSA-N 1 0 254.377 3.871 10 0 CHAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1Oc1ccccc1 ZINC000054556296 520217518 /nfs/dbraw/zinc/21/75/18/520217518.db2.gz UNBJIQLVIHETCK-PVAVHDDUSA-N 1 0 261.409 3.868 10 0 CHAERO CCCCCOc1nc(C)cc(C)c1C[NH2+]CCC ZINC000051544114 520260688 /nfs/dbraw/zinc/26/06/88/520260688.db2.gz RNYWUTMCPVDBDV-UHFFFAOYSA-N 1 0 264.413 3.767 10 0 CHAERO CCCO[C@@H](C[NH2+]C(C)(C)C)c1cccc(OC)c1 ZINC000050482948 520260754 /nfs/dbraw/zinc/26/07/54/520260754.db2.gz QZGRWTATPYOIPP-HNNXBMFYSA-N 1 0 265.397 3.551 10 0 CHAERO CC1(C)CCCN1c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000063065442 520335411 /nfs/dbraw/zinc/33/54/11/520335411.db2.gz NYAUBZTYIUZRCA-UHFFFAOYSA-N 1 0 272.314 3.543 10 0 CHAERO CCCOc1ccc([C@H]2C[C@@H]2C[NH2+]CC(C)C)cc1 ZINC000054597952 520434553 /nfs/dbraw/zinc/43/45/53/520434553.db2.gz HZJZOPGAPKZJPV-NVXWUHKLSA-N 1 0 261.409 3.825 10 0 CHAERO CCCOc1ccc([C@]2(C)C[C@@H]2C[NH2+]C2CC2)cc1 ZINC000054596286 520436058 /nfs/dbraw/zinc/43/60/58/520436058.db2.gz PAHHHIWOWOXBMC-PBHICJAKSA-N 1 0 259.393 3.505 10 0 CHAERO CCCCN(CCCC)c1nc(C)c(C[NH2+]C)s1 ZINC000054996254 520499448 /nfs/dbraw/zinc/49/94/48/520499448.db2.gz OAYRICNYRSGUIM-UHFFFAOYSA-N 1 0 269.458 3.578 10 0 CHAERO CCCCN(c1nc(CC)c(C[NH3+])s1)[C@@H](C)CC ZINC000055002472 520552477 /nfs/dbraw/zinc/55/24/77/520552477.db2.gz XXZPFIQOJRBJKP-NSHDSACASA-N 1 0 269.458 3.569 10 0 CHAERO CCCCOCC[NH2+][C@@H](CCC)c1cccs1 ZINC000049544005 520783102 /nfs/dbraw/zinc/78/31/02/520783102.db2.gz BZYNEQKBXLZNND-ZDUSSCGKSA-N 1 0 255.427 3.996 10 0 CHAERO CCN(CC)c1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000062734121 520913577 /nfs/dbraw/zinc/91/35/77/520913577.db2.gz GMRAUHOJTGRRTJ-UHFFFAOYSA-N 1 0 252.377 3.560 10 0 CHAERO CCCC[C@@H](CC)C[C@]1(C[NH2+]C(C)C)CCOC1 ZINC000054665026 521037056 /nfs/dbraw/zinc/03/70/56/521037056.db2.gz UQVCJSRFYPHXKC-CVEARBPZSA-N 1 0 255.446 3.998 10 0 CHAERO CCC[C@H](C)[NH2+]C[C@@H](C)Oc1ccccc1OCC ZINC000053565064 521060371 /nfs/dbraw/zinc/06/03/71/521060371.db2.gz LFIMCSPKQDLRGT-UONOGXRCSA-N 1 0 265.397 3.631 10 0 CHAERO CCC[C@H](CC)N1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602243 521073333 /nfs/dbraw/zinc/07/33/33/521073333.db2.gz FVHALOKKVCRAOP-PNRVRQOCSA-N 1 0 252.446 3.560 10 0 CHAERO CCN(CC[NH2+]C1CCCCCC1)Cc1cccs1 ZINC000053342613 521075685 /nfs/dbraw/zinc/07/56/85/521075685.db2.gz IETMZUKDUCEPBA-UHFFFAOYSA-N 1 0 280.481 3.882 10 0 CHAERO CCCC[C@@](CC)(C[NH2+]CCOC)Cc1cscn1 ZINC000054658328 521123102 /nfs/dbraw/zinc/12/31/02/521123102.db2.gz YLOZJNJWTBCXLG-OAHLLOKOSA-N 1 0 284.469 3.508 10 0 CHAERO CCCCc1ccc(N2CC[C@@H](C[NH2+]CCC)C2)cc1 ZINC000053031049 521273235 /nfs/dbraw/zinc/27/32/35/521273235.db2.gz VUBZGAJYYFLUSJ-KRWDZBQOSA-N 1 0 274.452 3.855 10 0 CHAERO CCOc1cccc(C[NH2+]C(C)(C)C)c1OC(C)C ZINC000062732665 521358282 /nfs/dbraw/zinc/35/82/82/521358282.db2.gz TXXMNXAJGYZHDQ-UHFFFAOYSA-N 1 0 265.397 3.761 10 0 CHAERO CCCc1ccc(NCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000052205510 521402985 /nfs/dbraw/zinc/40/29/85/521402985.db2.gz RIIOBCQHFAPSNP-QGZVFWFLSA-N 1 0 260.425 3.925 10 0 CHAERO CCN(Cc1cccs1)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905514 521410712 /nfs/dbraw/zinc/41/07/12/521410712.db2.gz ZMKXMJPDFHTTKO-UHFFFAOYSA-N 1 0 293.823 3.712 10 0 CHAERO CCCc1ccc([C@@H]([NH3+])Cc2nc(C)cs2)cc1 ZINC000055267951 521414399 /nfs/dbraw/zinc/41/43/99/521414399.db2.gz AEAAODRVNCWHJZ-AWEZNQCLSA-N 1 0 260.406 3.647 10 0 CHAERO CCC(CC)(C[NH3+])Cc1cc(Cl)ccc1OC ZINC000049804252 521426807 /nfs/dbraw/zinc/42/68/07/521426807.db2.gz RKONDNCKLVUVOC-UHFFFAOYSA-N 1 0 255.789 3.656 10 0 CHAERO CCN([C@H](C[NH2+]C(C)(C)C)C(C)C)C1CCCC1 ZINC000052457545 521477065 /nfs/dbraw/zinc/47/70/65/521477065.db2.gz OAPSMXKQHNRTRO-OAHLLOKOSA-N 1 0 254.462 3.664 10 0 CHAERO CC[C@H](C)Oc1c(C[NH2+]CC(C)C)cccc1OC ZINC000062732286 521757272 /nfs/dbraw/zinc/75/72/72/521757272.db2.gz SMALYNJLYMIGTI-ZDUSSCGKSA-N 1 0 265.397 3.618 10 0 CHAERO CCc1ccccc1[C@@H]([NH2+]C(C)C)c1nccs1 ZINC000052204798 521933098 /nfs/dbraw/zinc/93/30/98/521933098.db2.gz RBYOBRMOKHJTFN-CQSZACIVSA-N 1 0 260.406 3.793 10 0 CHAERO C[NH2+]Cc1ccc(N(C)c2cccc(C)c2)c(C)c1 ZINC000050562366 522119103 /nfs/dbraw/zinc/11/91/03/522119103.db2.gz POVMFAZWIKALSE-UHFFFAOYSA-N 1 0 254.377 3.791 10 0 CHAERO CC[C@@H](C)Oc1c(C[NH2+]C(C)(C)C)cccc1OC ZINC000062732205 522255643 /nfs/dbraw/zinc/25/56/43/522255643.db2.gz DWMOEGAKZIUOPW-GFCCVEGCSA-N 1 0 265.397 3.761 10 0 CHAERO COc1cc(C)ccc1Oc1ccc(C[NH3+])cc1Cl ZINC000062793261 522281770 /nfs/dbraw/zinc/28/17/70/522281770.db2.gz QBHCPJJFPUJTLT-UHFFFAOYSA-N 1 0 277.751 3.908 10 0 CHAERO C[NH2+][C@@H](C)c1c(F)cccc1OCc1cccs1 ZINC000049585754 522330537 /nfs/dbraw/zinc/33/05/37/522330537.db2.gz HQLXJGKYIBCXIP-JTQLQIEISA-N 1 0 265.353 3.747 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2cc(C)ccc2OC)c1 ZINC000055260952 522334375 /nfs/dbraw/zinc/33/43/75/522334375.db2.gz HQBPRYBTJSMVRH-ZDUSSCGKSA-N 1 0 255.361 3.951 10 0 CHAERO C[NH2+][C@@H](CCc1ccccc1)c1nc(C)c(C)s1 ZINC000061625700 522352258 /nfs/dbraw/zinc/35/22/58/522352258.db2.gz XKGSRENYKIZTNV-AWEZNQCLSA-N 1 0 260.406 3.653 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc2c(c1)COC2 ZINC000062332678 522367571 /nfs/dbraw/zinc/36/75/71/522367571.db2.gz ABQWMKHZBYQJAP-CQSZACIVSA-N 1 0 279.792 3.741 10 0 CHAERO C[NH2+][C@@H](c1ccc2c(c1)CC(C)(C)O2)C1CCCC1 ZINC000051755086 522370594 /nfs/dbraw/zinc/37/05/94/522370594.db2.gz WVMAJWJTVKHPKF-MRXNPFEDSA-N 1 0 259.393 3.851 10 0 CHAERO C[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000053147153 522470459 /nfs/dbraw/zinc/47/04/59/522470459.db2.gz HJJJLWZBPCCKJF-GXFFZTMASA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@H]1CCCCCC[C@@H]1Oc1cccc(F)c1F ZINC000062614074 522489812 /nfs/dbraw/zinc/48/98/12/522489812.db2.gz NVHYCTFLOYLKCO-STQMWFEESA-N 1 0 269.335 3.654 10 0 CHAERO C[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1Oc1ccc(C)cc1 ZINC000054556352 522505298 /nfs/dbraw/zinc/50/52/98/522505298.db2.gz GBHIRIOPSYPIDR-XIRDDKMYSA-N 1 0 261.409 3.787 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)n1nc(C)c(Cl)c1C ZINC000050586321 522649019 /nfs/dbraw/zinc/64/90/19/522649019.db2.gz QQXKNRBGAOMYIC-MFKMUULPSA-N 1 0 283.828 3.542 10 0 CHAERO Cc1cncc(-c2noc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)c1 ZINC000333474661 534670957 /nfs/dbraw/zinc/67/09/57/534670957.db2.gz RSIIOILJTMMLBP-HNNXBMFYSA-N 1 0 298.390 3.520 10 0 CHAERO CC[C@H]1CCCCN1c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054902500 523032337 /nfs/dbraw/zinc/03/23/37/523032337.db2.gz ULCNCVDWSXOJLM-LBPRGKRZSA-N 1 0 281.469 3.800 10 0 CHAERO CC[C@H]1CSC(N[C@H](C)c2cc(C)sc2C)=[NH+]1 ZINC000049510483 523355860 /nfs/dbraw/zinc/35/58/60/523355860.db2.gz BSTBSXPAVKUNDT-KOLCDFICSA-N 1 0 268.451 3.897 10 0 CHAERO COc1ccc(Br)cc1CC1(C[NH3+])CCCC1 ZINC000054635774 523494178 /nfs/dbraw/zinc/49/41/78/523494178.db2.gz VHSRCJFLYXUEJQ-UHFFFAOYSA-N 1 0 298.224 3.519 10 0 CHAERO CC[C@](C[NH2+]C)(Cc1cccs1)c1ccccc1 ZINC000054659083 523523845 /nfs/dbraw/zinc/52/38/45/523523845.db2.gz ISBPXJNUROSZTK-MRXNPFEDSA-N 1 0 259.418 3.858 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccsc2)c1C ZINC000061361885 523665241 /nfs/dbraw/zinc/66/52/41/523665241.db2.gz BIJNBEALMGKMNP-MNOVXSKESA-N 1 0 277.437 3.993 10 0 CHAERO C[N@@H+]1CCCC[C@@H]1CCNc1ccc(F)cc1Cl ZINC000052205466 523792961 /nfs/dbraw/zinc/79/29/61/523792961.db2.gz FEAHYCHTDBKDPS-GFCCVEGCSA-N 1 0 270.779 3.765 10 0 CHAERO C[N@@H+]1CCCC[C@H]1CCNc1cccc(Cl)c1 ZINC000052205306 523797725 /nfs/dbraw/zinc/79/77/25/523797725.db2.gz HELXJEVIQXXNGV-AWEZNQCLSA-N 1 0 252.789 3.626 10 0 CHAERO CCc1cc(O[C@H](C)C[NH2+]C(C)C)ccc1Cl ZINC000052699636 523842310 /nfs/dbraw/zinc/84/23/10/523842310.db2.gz BSOWLWNZLMLTLC-LLVKDONJSA-N 1 0 255.789 3.668 10 0 CHAERO CC[C@H](C)CNC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000054489034 523883799 /nfs/dbraw/zinc/88/37/99/523883799.db2.gz JCEDAEVXIUCRKW-DCBWTQNWSA-N 1 0 254.443 3.674 10 0 CHAERO CC[C@H](C)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000054468274 523883879 /nfs/dbraw/zinc/88/38/79/523883879.db2.gz JYSDCYRRWIHXBN-VIFPVBQESA-N 1 0 263.353 3.871 10 0 CHAERO COCC[NH2+]C[C@@H](CCCc1ccccc1)C(C)C ZINC000054663318 523940840 /nfs/dbraw/zinc/94/08/40/523940840.db2.gz OMORVNOZCKORGW-QGZVFWFLSA-N 1 0 263.425 3.518 10 0 CHAERO COc1ccc(Cl)cc1[C@](C)([NH3+])c1ccc(F)cc1 ZINC000055194996 524256906 /nfs/dbraw/zinc/25/69/06/524256906.db2.gz YIKRSFRCDMQLAU-OAHLLOKOSA-N 1 0 279.742 3.710 10 0 CHAERO Cc1cccc(C[N@H+]2CC(C)(C)NC[C@@H]2CC(C)C)c1 ZINC000062668212 524387790 /nfs/dbraw/zinc/38/77/90/524387790.db2.gz QEWMTHJRJDIIAA-KRWDZBQOSA-N 1 0 274.452 3.594 10 0 CHAERO C[C@@H]1CCC[C@H](Sc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000054691416 524412701 /nfs/dbraw/zinc/41/27/01/524412701.db2.gz HBRNTMDKBJANNE-KOLCDFICSA-N 1 0 266.385 3.781 10 0 CHAERO Cc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1C ZINC000070070335 524439099 /nfs/dbraw/zinc/43/90/99/524439099.db2.gz VUAVDPXHHMTYLS-MRXNPFEDSA-N 1 0 253.345 3.527 10 0 CHAERO Cc1ccc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2CC(C)C)cc1 ZINC000062705148 524481458 /nfs/dbraw/zinc/48/14/58/524481458.db2.gz KOCRHGBGUDVEGC-RBUKOAKNSA-N 1 0 288.479 3.840 10 0 CHAERO Cc1ccc(COc2cccc3c2CC[C@H]3[NH3+])cc1 ZINC000062798799 524630648 /nfs/dbraw/zinc/63/06/48/524630648.db2.gz QAMAUESEKQYZLG-MRXNPFEDSA-N 1 0 253.345 3.520 10 0 CHAERO COc1ccc(NCC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000052205190 524677194 /nfs/dbraw/zinc/67/71/94/524677194.db2.gz KIDHDAWMCABJDI-ZDUSSCGKSA-N 1 0 282.815 3.635 10 0 CHAERO Cc1ccc(Cc2ncc(C[NH2+]C(C)(C)C)s2)cc1 ZINC000052331484 524695115 /nfs/dbraw/zinc/69/51/15/524695115.db2.gz NTWIHHZNDJFFGC-UHFFFAOYSA-N 1 0 274.433 3.930 10 0 CHAERO Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156648681 524755116 /nfs/dbraw/zinc/75/51/16/524755116.db2.gz ZEEZAIZPUWQMEB-UHFFFAOYSA-N 1 0 286.762 3.504 10 0 CHAERO C[C@H]([NH3+])[C@H](SC1CCCC1)c1ccc(F)cc1 ZINC000062829531 524854180 /nfs/dbraw/zinc/85/41/80/524854180.db2.gz NZNDNJOUJCASCB-HZMBPMFUSA-N 1 0 253.386 3.890 10 0 CHAERO COc1cncc(C[NH2+][C@@H](C)c2ccc(C)cc2C)c1 ZINC000289696738 524921940 /nfs/dbraw/zinc/92/19/40/524921940.db2.gz FEEOGPNWADLPIZ-AWEZNQCLSA-N 1 0 270.376 3.558 10 0 CHAERO COc1ccc(OC/C=C/Cl)c(C[NH2+]C(C)(C)C)c1 ZINC000062727548 524925817 /nfs/dbraw/zinc/92/58/17/524925817.db2.gz RIOPAVDCLUOFPG-VMPITWQZSA-N 1 0 283.799 3.715 10 0 CHAERO Cc1ccc(N2CC[C@H](C[NH2+]C(C)(C)C)C2)c(Cl)c1 ZINC000053013119 524974418 /nfs/dbraw/zinc/97/44/18/524974418.db2.gz XKCWMIPFFZEVPW-CYBMUJFWSA-N 1 0 280.843 3.863 10 0 CHAERO C[C@@H]([NH3+])[C@@H](S[C@@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000054690436 525004462 /nfs/dbraw/zinc/00/44/62/525004462.db2.gz HXTDXWOBIVJZEJ-HKUMRIAESA-N 1 0 253.411 3.980 10 0 CHAERO Cc1ccccc1[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000125764131 525350270 /nfs/dbraw/zinc/35/02/70/525350270.db2.gz ZGDGSJZIRXFOIJ-OAHLLOKOSA-N 1 0 283.419 3.669 10 0 CHAERO Cc1cc([C@@H](C)[NH2+][C@H](CN(C)C)C(C)C)c(C)s1 ZINC000049197294 525474831 /nfs/dbraw/zinc/47/48/31/525474831.db2.gz PYRVHEOIWOMMNP-IUODEOHRSA-N 1 0 268.470 3.602 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(O)c1 ZINC000037074374 525577417 /nfs/dbraw/zinc/57/74/17/525577417.db2.gz KHPNZMFDOHISIG-BLLLJJGKSA-N 1 0 269.344 3.567 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1sccc1Br ZINC000052274787 525589138 /nfs/dbraw/zinc/58/91/38/525589138.db2.gz YPCDVGAOFDQDKW-ACLDMZEESA-N 1 0 260.200 3.570 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccc(O)cc1 ZINC000049154431 525602128 /nfs/dbraw/zinc/60/21/28/525602128.db2.gz GRMJEEWBMYGNOM-NWDGAFQWSA-N 1 0 261.390 3.736 10 0 CHAERO C[C@@H]1c2ccsc2CCN1CC[NH2+]CCC(C)(C)C ZINC000053391503 525735263 /nfs/dbraw/zinc/73/52/63/525735263.db2.gz HLOLCEJIPFUFJB-CYBMUJFWSA-N 1 0 280.481 3.693 10 0 CHAERO Cc1ccc([C@@H](O)[C@H](C)[NH+]2CCC(C)(C)CC2)cc1 ZINC000061821504 525783891 /nfs/dbraw/zinc/78/38/91/525783891.db2.gz SYPVYVDQGAONNS-HOCLYGCPSA-N 1 0 261.409 3.539 10 0 CHAERO COc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000157806268 525940990 /nfs/dbraw/zinc/94/09/90/525940990.db2.gz DTIBOBZZJIHBIB-AWEZNQCLSA-N 1 0 288.416 3.531 10 0 CHAERO C[C@@H](Oc1cccc(Cl)c1C(N)=[NH2+])c1ccccc1 ZINC000052906834 525941970 /nfs/dbraw/zinc/94/19/70/525941970.db2.gz GIXKQHSYKGGZNO-SNVBAGLBSA-N 1 0 274.751 3.764 10 0 CHAERO CSc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070321 526007096 /nfs/dbraw/zinc/00/70/96/526007096.db2.gz VNDIRKRHDYWDFS-OAHLLOKOSA-N 1 0 271.385 3.632 10 0 CHAERO CSc1ccc(C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000054685278 526009203 /nfs/dbraw/zinc/00/92/03/526009203.db2.gz OGZGZSQBICQVPX-OAHLLOKOSA-N 1 0 257.402 3.521 10 0 CHAERO Cc1ccc2c(c1)[nH+]c(N)n2[C@@H](C)c1ccsc1 ZINC000061365085 526220663 /nfs/dbraw/zinc/22/06/63/526220663.db2.gz WSSUYBCTQVRIEY-JTQLQIEISA-N 1 0 257.362 3.598 10 0 CHAERO C[C@H]1CCCC[N@@H+]1CCNc1ccccc1Br ZINC000053343366 526249892 /nfs/dbraw/zinc/24/98/92/526249892.db2.gz WPWSVHUYJGDXSX-LBPRGKRZSA-N 1 0 297.240 3.735 10 0 CHAERO Fc1cc(F)cc(C2(C[NH2+]C3CC3)CCCC2)c1 ZINC000053749153 526307083 /nfs/dbraw/zinc/30/70/83/526307083.db2.gz PSXWPHVBRMXMKZ-UHFFFAOYSA-N 1 0 251.320 3.529 10 0 CHAERO Fc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000157007351 526384285 /nfs/dbraw/zinc/38/42/85/526384285.db2.gz ICQZVIBLNILPJS-ZDUSSCGKSA-N 1 0 276.380 3.662 10 0 CHAERO c1coc([C@@H]([NH2+]C[C@@H]2CCCS2)c2ccccc2)c1 ZINC000149562776 526569204 /nfs/dbraw/zinc/56/92/04/526569204.db2.gz HFNIBWYYNWPEIQ-HOCLYGCPSA-N 1 0 273.401 3.854 10 0 CHAERO Cc1nocc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000293311611 526696247 /nfs/dbraw/zinc/69/62/47/526696247.db2.gz QINUPMYNAYQRFS-MRXNPFEDSA-N 1 0 270.376 3.786 10 0 CHAERO Cc1oc(COC2CCC2)cc1C[NH2+]C(C)(C)C ZINC000052595374 526774560 /nfs/dbraw/zinc/77/45/60/526774560.db2.gz YJAQLSOIUQFJHP-UHFFFAOYSA-N 1 0 251.370 3.545 10 0 CHAERO Cc1nc(N(C)[C@@H](C)c2cccs2)sc1[C@@H](C)[NH3+] ZINC000054897391 526951747 /nfs/dbraw/zinc/95/17/47/526951747.db2.gz RMEFJNWGBSXTRU-SCZZXKLOSA-N 1 0 281.450 3.730 10 0 CHAERO Cc1nc(N(CC(C)C)C(C)C)sc1C[NH2+]C(C)C ZINC000055001685 526953228 /nfs/dbraw/zinc/95/32/28/526953228.db2.gz JTIHHEJPCMECQS-UHFFFAOYSA-N 1 0 283.485 3.820 10 0 CHAERO Cc1nc(N2CCCC[C@@H]2C)sc1C[NH2+]CC(C)C ZINC000054995296 526963804 /nfs/dbraw/zinc/96/38/04/526963804.db2.gz QBBAJNCBBIMKRV-LBPRGKRZSA-N 1 0 281.469 3.576 10 0 CHAERO [NH3+]C[C@H](Nc1cccc(Cl)c1)c1ccccc1F ZINC000057552536 527229113 /nfs/dbraw/zinc/22/91/13/527229113.db2.gz SDIXBXOANXROEQ-AWEZNQCLSA-N 1 0 264.731 3.591 10 0 CHAERO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccoc1 ZINC000050518609 527333857 /nfs/dbraw/zinc/33/38/57/527333857.db2.gz HFQVZCFIIFRENL-LBPRGKRZSA-N 1 0 255.239 3.541 10 0 CHAERO [NH3+][C@@H](c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000061703523 527338975 /nfs/dbraw/zinc/33/89/75/527338975.db2.gz GGUSUPPKEBBKNN-ZDUSSCGKSA-N 1 0 267.250 3.633 10 0 CHAERO [NH3+][C@H](CCCc1ccccc1)CCc1ccccc1 ZINC000053831874 527385380 /nfs/dbraw/zinc/38/53/80/527385380.db2.gz QLCIQYMXBLPVNC-GOSISDBHSA-N 1 0 253.389 3.969 10 0 CHAERO [NH3+][C@H](c1cccs1)c1ccccc1OC(F)(F)F ZINC000055205425 527393111 /nfs/dbraw/zinc/39/31/11/527393111.db2.gz GLMRHTQBGGKNAJ-NSHDSACASA-N 1 0 273.279 3.695 10 0 CHAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1ccccc1C ZINC000163821117 527666976 /nfs/dbraw/zinc/66/69/76/527666976.db2.gz XHKKCIFVNNWFJC-NSHDSACASA-N 1 0 277.799 3.541 10 0 CHAERO c1ccc(-c2nnc([C@@H]3CCC[N@H+]3C3CCCC3)[nH]2)cc1 ZINC000093215140 567037506 /nfs/dbraw/zinc/03/75/06/567037506.db2.gz ZMXALZJMNNQTMC-HNNXBMFYSA-N 1 0 282.391 3.551 10 0 CHAERO [NH3+][C@@H](CC1CC1)c1cc2cccc(Br)c2o1 ZINC000163308857 567211626 /nfs/dbraw/zinc/21/16/26/567211626.db2.gz XJKDXBBREBMCCB-NSHDSACASA-N 1 0 280.165 3.995 10 0 CHAERO C[NH+](C)[C@@]1(C)CC=C(c2cccc(C=O)c2F)CC1 ZINC000725256812 567220410 /nfs/dbraw/zinc/22/04/10/567220410.db2.gz ZGIDKHVFKDKNQR-INIZCTEOSA-N 1 0 261.340 3.526 10 0 CHAERO CCC[N@@H+]1CCC(=O)C12CC(C)(C)CC(C)(C)C2 ZINC000712046074 567836953 /nfs/dbraw/zinc/83/69/53/567836953.db2.gz MYZZFOIOLVRODB-UHFFFAOYSA-N 1 0 251.414 3.646 10 0 CHAERO CCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCC ZINC000010473980 567861769 /nfs/dbraw/zinc/86/17/69/567861769.db2.gz ROUODDOEEYOSED-UHFFFAOYSA-N 1 0 271.788 3.637 10 0 CHAERO CCCC[NH2+]Cc1ccc(OCC)c(Br)c1 ZINC000010474002 567861794 /nfs/dbraw/zinc/86/17/94/567861794.db2.gz NDGBCIPJFBELJY-UHFFFAOYSA-N 1 0 286.213 3.738 10 0 CHAERO c1csc([C@]2([NH+]3CCCCC3)CCCSC2)c1 ZINC000048546157 567892788 /nfs/dbraw/zinc/89/27/88/567892788.db2.gz FMPXQTRXRDZBPU-AWEZNQCLSA-N 1 0 267.463 3.956 10 0 CHAERO CSc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000057353442 567894786 /nfs/dbraw/zinc/89/47/86/567894786.db2.gz IXOGIJPKRNTWNS-UHFFFAOYSA-N 1 0 297.427 3.617 10 0 CHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000725254573 567913607 /nfs/dbraw/zinc/91/36/07/567913607.db2.gz YYLVYXWLUDXXEO-HERUPUMHSA-N 1 0 280.209 3.693 10 0 CHAERO Cc1cccc(COc2cccc(C[NH2+]C3CC3)c2)c1 ZINC000032115719 567955665 /nfs/dbraw/zinc/95/56/65/567955665.db2.gz ZDQKIQKFOFJWGN-UHFFFAOYSA-N 1 0 267.372 3.826 10 0 CHAERO CC(C)(C)[C@H]1CCCc2sc(CCC[NH3+])nc21 ZINC000675076027 570368484 /nfs/dbraw/zinc/36/84/84/570368484.db2.gz IXARYSHLQFFWFQ-JTQLQIEISA-N 1 0 252.427 3.500 10 0 CHAERO CC(C)[C@@]1([NH+]2CCCC2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685960908 570406865 /nfs/dbraw/zinc/40/68/65/570406865.db2.gz GUPDMMNQWPZKPO-QGZVFWFLSA-N 1 0 296.455 3.508 10 0 CHAERO CC[NH+](CC)[C@@]1(C(C)C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961592 570406874 /nfs/dbraw/zinc/40/68/74/570406874.db2.gz UCAHWKTVMGQJRJ-KRWDZBQOSA-N 1 0 298.471 3.754 10 0 CHAERO COc1ccc(Cl)c(C[N+](C)(C)C2CCCC2)c1 ZINC000190296161 717157822 /nfs/dbraw/zinc/15/78/22/717157822.db2.gz WBXBADWHZJEJDQ-UHFFFAOYSA-N 1 0 268.808 3.868 10 0 CHAERO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccccc1F)C1CC1 ZINC000104967780 1125456969 /nfs/dbraw/zinc/45/69/69/1125456969.db2.gz WLTPXJDQSDRYRE-CHWSQXEVSA-N 1 0 292.398 3.663 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Cl)cc1Cl ZINC000368496521 1119371547 /nfs/dbraw/zinc/37/15/47/1119371547.db2.gz PCWATYMSFOAWKQ-STRQVWJDSA-N 1 0 286.202 3.536 10 0 CHAERO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CCCNC1=O ZINC000329671015 1119475594 /nfs/dbraw/zinc/47/55/94/1119475594.db2.gz TXSGHZDTGPEYGV-JKSUJKDBSA-N 1 0 297.402 3.562 10 0 CHAERO CC(C)(C)/C=C\C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000588595356 1119504366 /nfs/dbraw/zinc/50/43/66/1119504366.db2.gz AWORPNCGKLYYKT-QXPKXGMISA-N 1 0 296.414 3.558 10 0 CHAERO COc1cc2c(cc1C[NH2+]CC1CCCCC1)O[C@H](C)C2 ZINC000105760114 1120547890 /nfs/dbraw/zinc/54/78/90/1120547890.db2.gz LPZACZPFGVAMJO-CYBMUJFWSA-N 1 0 289.419 3.689 10 0 CHAERO CCCc1nc(C2CCCCC2)sc1C[NH2+]C ZINC000082428149 178003349 /nfs/dbraw/zinc/00/33/49/178003349.db2.gz ZKPZPUIDVSJUKV-UHFFFAOYSA-N 1 0 252.427 3.863 10 0 CHAERO CC(C)Cc1nc(C(C)C)c(C[NH2+]C(C)C)s1 ZINC000082430438 178008281 /nfs/dbraw/zinc/00/82/81/178008281.db2.gz WRSOFXUOIREGKU-UHFFFAOYSA-N 1 0 254.443 3.963 10 0 CHAERO CCC[NH2+]Cc1sc(CSC)nc1C(C)C ZINC000082432667 178010332 /nfs/dbraw/zinc/01/03/32/178010332.db2.gz QTULAFLDWZULBQ-UHFFFAOYSA-N 1 0 258.456 3.629 10 0 CHAERO CCC[NH2+]Cc1sc(CC(C)C)nc1C1CC1 ZINC000082436299 178013966 /nfs/dbraw/zinc/01/39/66/178013966.db2.gz RICXCTJOBBRFQN-UHFFFAOYSA-N 1 0 252.427 3.719 10 0 CHAERO CCc1ccc(-c2nc(C3CC3)c(C[NH2+]C)s2)cc1 ZINC000082436789 178014886 /nfs/dbraw/zinc/01/48/86/178014886.db2.gz YBOLVSSFGDPZCE-UHFFFAOYSA-N 1 0 272.417 3.969 10 0 CHAERO CC(C)(C)c1nc(CCOc2ccccc2)sc1C[NH3+] ZINC000082440340 178018530 /nfs/dbraw/zinc/01/85/30/178018530.db2.gz RGNPDJPCGIXWBN-UHFFFAOYSA-N 1 0 290.432 3.521 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccc1F ZINC000082503037 178066943 /nfs/dbraw/zinc/06/69/43/178066943.db2.gz MLXWWRCKSCTDEI-INIZCTEOSA-N 1 0 271.335 3.748 10 0 CHAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1ccc(C)cc1C ZINC000082660602 178146540 /nfs/dbraw/zinc/14/65/40/178146540.db2.gz ZXTONWAGTQGJSW-UHFFFAOYSA-N 1 0 271.408 3.543 10 0 CHAERO Cc1ccc(-n2ncc(C[NH2+]C(C)C)c2C(F)(F)F)cc1 ZINC000082661649 178149421 /nfs/dbraw/zinc/14/94/21/178149421.db2.gz TVGMCPDXAHLAAB-UHFFFAOYSA-N 1 0 297.324 3.698 10 0 CHAERO CC(C)(C)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000096034184 185068244 /nfs/dbraw/zinc/06/82/44/185068244.db2.gz QJVGVLVONACFLX-UHFFFAOYSA-N 1 0 276.605 3.991 10 0 CHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000082709936 178220775 /nfs/dbraw/zinc/22/07/75/178220775.db2.gz BLDNRHRGZZQCIG-GFCCVEGCSA-N 1 0 272.367 3.839 10 0 CHAERO CCSc1cc(OC)c2c(c1OC)[C@@H](C(C)C)[NH2+]CC2 ZINC000096889060 185123620 /nfs/dbraw/zinc/12/36/20/185123620.db2.gz KCGFLUWXJKZXFP-OAHLLOKOSA-N 1 0 295.448 3.659 10 0 CHAERO CC(C)[C@@H](CCCC[NH3+])c1ccc2c(c1)CCCO2 ZINC000096890751 185123648 /nfs/dbraw/zinc/12/36/48/185123648.db2.gz XKRYOMZRGVGQSK-MRXNPFEDSA-N 1 0 261.409 3.880 10 0 CHAERO CCCc1cc(OC)c2c(c1OC)[C@H](C)[NH2+]CC2(C)C ZINC000096889025 185124006 /nfs/dbraw/zinc/12/40/06/185124006.db2.gz VGKDDVPPVDOPBZ-NSHDSACASA-N 1 0 277.408 3.598 10 0 CHAERO CC[NH2+][C@@H](CC)C(=O)c1ccc(C(C)(C)C)cc1C ZINC000096891110 185124639 /nfs/dbraw/zinc/12/46/39/185124639.db2.gz JNBXFZDWCKXXLS-HNNXBMFYSA-N 1 0 261.409 3.863 10 0 CHAERO Cc1cc([C@H]([NH3+])Cc2ccccc2Br)co1 ZINC000096978596 185145382 /nfs/dbraw/zinc/14/53/82/185145382.db2.gz IXXLBSLCFUDSBN-CYBMUJFWSA-N 1 0 280.165 3.593 10 0 CHAERO CC1(C)CC[NH2+]C[C@H]1c1cccc(Br)c1 ZINC000086368214 179278604 /nfs/dbraw/zinc/27/86/04/179278604.db2.gz KXGPZYVYYJWOPX-LBPRGKRZSA-N 1 0 268.198 3.552 10 0 CHAERO CC1(C)CC[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000086368211 179278670 /nfs/dbraw/zinc/27/86/70/179278670.db2.gz KXGPZYVYYJWOPX-GFCCVEGCSA-N 1 0 268.198 3.552 10 0 CHAERO C[NH2+]C[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@@H]1C2 ZINC000103996367 185878418 /nfs/dbraw/zinc/87/84/18/185878418.db2.gz BTVNKDDUQXTINI-LZWOXQAQSA-N 1 0 263.812 3.908 10 0 CHAERO CCCCCC[C@H](C)OC(=O)[C@]1(CCC)CC[NH2+]C1 ZINC000104184707 185917989 /nfs/dbraw/zinc/91/79/89/185917989.db2.gz BGDNOHQUYRGREH-GOEBONIOSA-N 1 0 269.429 3.668 10 0 CHAERO Cc1cc(N(C)c2ccccc2)ccc1C[C@@H](C)[NH3+] ZINC000104267234 185948607 /nfs/dbraw/zinc/94/86/07/185948607.db2.gz UFFCOPYVSYMGSC-CQSZACIVSA-N 1 0 254.377 3.653 10 0 CHAERO [NH3+]CCc1ccc(Sc2nc3ccccc3s2)cc1 ZINC000104286625 185954814 /nfs/dbraw/zinc/95/48/14/185954814.db2.gz OZKIAMTYMFURAR-UHFFFAOYSA-N 1 0 286.425 3.949 10 0 CHAERO [NH3+][C@H](C[C@H]1CCCc2ccccc21)c1ccncc1 ZINC000104304376 185960816 /nfs/dbraw/zinc/96/08/16/185960816.db2.gz ZICULAZYEFGTQM-NVXWUHKLSA-N 1 0 252.361 3.592 10 0 CHAERO CCc1nc(COc2cc(C)ccc2[C@H](C)[NH3+])cs1 ZINC000104333315 185972656 /nfs/dbraw/zinc/97/26/56/185972656.db2.gz BJVYBIWSMUVOCN-NSHDSACASA-N 1 0 276.405 3.613 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000090175303 260336726 /nfs/dbraw/zinc/33/67/26/260336726.db2.gz ADTBBFQSPOKXHB-ZKYQVNSYSA-N 1 0 251.345 3.674 10 0 CHAERO C[C@H](CC[NH2+][C@@H](C)c1cccs1)NC(=O)OC(C)(C)C ZINC000180520733 261424247 /nfs/dbraw/zinc/42/42/47/261424247.db2.gz KRXIYXNGQHHBFT-NEPJUHHUSA-N 1 0 298.452 3.702 10 0 CHAERO C[C@H](OCCC[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000095068656 184930077 /nfs/dbraw/zinc/93/00/77/184930077.db2.gz ZWBHGLPEQSIYGD-STQMWFEESA-N 1 0 253.411 3.606 10 0 CHAERO CCCCc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2CC)cc1 ZINC000083441538 135021547 /nfs/dbraw/zinc/02/15/47/135021547.db2.gz HWXGSJKFFCCLMX-ZBFHGGJFSA-N 1 0 260.425 3.606 10 0 CHAERO CC[C@H]1CN(c2cccc(C)c2C)[C@H](C(C)C)C[NH2+]1 ZINC000083441830 135021983 /nfs/dbraw/zinc/02/19/83/135021983.db2.gz FOUZXNBXPCCBDJ-RDJZCZTQSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@@H]1CN(c2cc(C)ccc2Cl)[C@H](CC)C[NH2+]1 ZINC000083493763 135024564 /nfs/dbraw/zinc/02/45/64/135024564.db2.gz ROVPUCGVPUBEGA-CHWSQXEVSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@H]1CN(c2ccc(Cl)cc2Cl)[C@H](C)C[NH2+]1 ZINC000083536433 135027069 /nfs/dbraw/zinc/02/70/69/135027069.db2.gz KWMFAVDLQRDUDX-KOLCDFICSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1cc(Cl)ccc1Cl ZINC000083536519 135027682 /nfs/dbraw/zinc/02/76/82/135027682.db2.gz RNUCMGNTJHEGEJ-ONGXEEELSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1c(Cl)cccc1Cl ZINC000083536521 135027729 /nfs/dbraw/zinc/02/77/29/135027729.db2.gz LWKZCFNYITYYIF-NXEZZACHSA-N 1 0 273.207 3.570 10 0 CHAERO Cc1ccc(F)c(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083587395 135030138 /nfs/dbraw/zinc/03/01/38/135030138.db2.gz FSJNJYWERLEFQR-DOTOQJQBSA-N 1 0 278.415 3.593 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(SC)cc1 ZINC000083587479 135030218 /nfs/dbraw/zinc/03/02/18/135030218.db2.gz ULWFMHPHWVBCLY-CJNGLKHVSA-N 1 0 278.465 3.621 10 0 CHAERO CCc1csc([C@@H]2CCC[N@H+](CCCCCOC)C2)n1 ZINC000171500980 335067646 /nfs/dbraw/zinc/06/76/46/335067646.db2.gz UKTXZVXFYIRRME-CQSZACIVSA-N 1 0 296.480 3.702 10 0 CHAERO OCCCCCCCCCCC[N@H+]1CC=CCC1 ZINC000005725624 170133731 /nfs/dbraw/zinc/13/37/31/170133731.db2.gz GMIHNCFUJCCWCH-UHFFFAOYSA-N 1 0 253.430 3.752 10 0 CHAERO [NH3+][C@H](Cc1cccc(Cl)c1)Cc1ccccc1F ZINC000011600563 170425343 /nfs/dbraw/zinc/42/53/43/170425343.db2.gz NUQLFMLJHIMHDV-CQSZACIVSA-N 1 0 263.743 3.592 10 0 CHAERO CCOc1ccccc1CC[C@@H]([NH3+])c1cccs1 ZINC000011606010 170426840 /nfs/dbraw/zinc/42/68/40/170426840.db2.gz SCHNZQUYJHXHMA-CYBMUJFWSA-N 1 0 261.390 3.779 10 0 CHAERO Fc1ccc([C@H](Oc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000013530685 170558531 /nfs/dbraw/zinc/55/85/31/170558531.db2.gz WATYOFIGBUAAFP-QAPCUYQASA-N 1 0 285.362 3.945 10 0 CHAERO [NH3+]Cc1ccc(COc2ccccc2C(F)(F)F)cc1 ZINC000019260649 170761906 /nfs/dbraw/zinc/76/19/06/170761906.db2.gz WOVQPTQZSKXNMB-UHFFFAOYSA-N 1 0 281.277 3.743 10 0 CHAERO [NH3+]CCCCOc1ccc(Oc2ccccc2)cc1 ZINC000019277499 170770123 /nfs/dbraw/zinc/77/01/23/170770123.db2.gz NSGIOKXINQXYFF-UHFFFAOYSA-N 1 0 257.333 3.597 10 0 CHAERO [NH3+]Cc1ccc(CO[C@H]2CCCc3ccccc32)c(F)c1 ZINC000019396726 170782819 /nfs/dbraw/zinc/78/28/19/170782819.db2.gz MCIVVHLLDBKFNY-SFHVURJKSA-N 1 0 285.362 3.879 10 0 CHAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000019470235 170804309 /nfs/dbraw/zinc/80/43/09/170804309.db2.gz DDXYMKOXASMMPT-UHFFFAOYSA-N 1 0 295.169 3.704 10 0 CHAERO Cc1ccccc1COc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000019803066 170871511 /nfs/dbraw/zinc/87/15/11/170871511.db2.gz SNGYYWACUPNMNJ-OAHLLOKOSA-N 1 0 269.388 3.854 10 0 CHAERO C[C@@H]([NH3+])c1ccc(Sc2nc3ccccc3[nH]2)c(F)c1 ZINC000019873963 170903501 /nfs/dbraw/zinc/90/35/01/170903501.db2.gz HSRNGZCYRXHTEX-SECBINFHSA-N 1 0 287.363 3.873 10 0 CHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000019918834 170927037 /nfs/dbraw/zinc/92/70/37/170927037.db2.gz PPQLWNJCHSLPTK-RWBZWWBESA-N 1 0 275.436 3.839 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2c(C)cc(C)cc2C)c(OC)c1 ZINC000019967748 170949404 /nfs/dbraw/zinc/94/94/04/170949404.db2.gz MFSNTOFJFHEKRW-GOSISDBHSA-N 1 0 285.387 3.677 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](N)c2cccc3ccccc32)C1 ZINC000020020047 170971488 /nfs/dbraw/zinc/97/14/88/170971488.db2.gz BPAHEMLYLROHHY-SPYBWZPUSA-N 1 0 282.431 3.818 10 0 CHAERO Clc1ccc(CC[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000020024707 170972366 /nfs/dbraw/zinc/97/23/66/170972366.db2.gz OLPXOSPEUABIKI-MRXNPFEDSA-N 1 0 287.790 3.996 10 0 CHAERO CC[NH+](CC)CCNc1ccccc1SC(F)F ZINC000020044108 170977069 /nfs/dbraw/zinc/97/70/69/170977069.db2.gz OPTUELYNWGKUKO-UHFFFAOYSA-N 1 0 274.380 3.755 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccc(O)cc1 ZINC000020121315 171000645 /nfs/dbraw/zinc/00/06/45/171000645.db2.gz WHSJXTWNSOHFJP-MLGOLLRUSA-N 1 0 256.349 3.589 10 0 CHAERO Cc1ccc([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000020129379 171016796 /nfs/dbraw/zinc/01/67/96/171016796.db2.gz QLXXLFYRPMZDCK-HOCLYGCPSA-N 1 0 272.392 3.542 10 0 CHAERO Cc1ccsc1C[NH2+]Cc1nc2ccccc2s1 ZINC000020136024 171023346 /nfs/dbraw/zinc/02/33/46/171023346.db2.gz APSKNJGOOHDROC-UHFFFAOYSA-N 1 0 274.414 3.956 10 0 CHAERO c1ccc2sc(C[NH2+]C[C@H]3CC=CCC3)nc2c1 ZINC000020136376 171024120 /nfs/dbraw/zinc/02/41/20/171024120.db2.gz XCUHBQGHNIYUGP-LBPRGKRZSA-N 1 0 258.390 3.742 10 0 CHAERO C[C@H]([NH2+]Cc1ccncc1)c1ccc(F)c(Cl)c1 ZINC000020140331 171027004 /nfs/dbraw/zinc/02/70/04/171027004.db2.gz GKEICRBTNVAOOR-JTQLQIEISA-N 1 0 264.731 3.725 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1cccs1 ZINC000020148166 171036399 /nfs/dbraw/zinc/03/63/99/171036399.db2.gz CVSTVJSPYXMBEF-VIFPVBQESA-N 1 0 253.317 3.877 10 0 CHAERO C=COCCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000020197196 171061227 /nfs/dbraw/zinc/06/12/27/171061227.db2.gz VHIPUYMOVARXPE-NSHDSACASA-N 1 0 284.197 3.650 10 0 CHAERO C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 ZINC000020206405 171071591 /nfs/dbraw/zinc/07/15/91/171071591.db2.gz PKJBEXBXBOKRKI-UGSOOPFHSA-N 1 0 279.383 3.914 10 0 CHAERO CN(Cc1ccccc1Cl)[C@H](C[NH3+])c1cccs1 ZINC000020225321 171087419 /nfs/dbraw/zinc/08/74/19/171087419.db2.gz MQFJKWFWMAIGPE-CYBMUJFWSA-N 1 0 280.824 3.533 10 0 CHAERO Cc1ccccc1[C@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000020225446 171088483 /nfs/dbraw/zinc/08/84/83/171088483.db2.gz MFHRFQWXZHMRPV-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO CCc1ccc([C@@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020225734 171089450 /nfs/dbraw/zinc/08/94/50/171089450.db2.gz FBERVOWJPTTWFH-GOSISDBHSA-N 1 0 274.452 3.761 10 0 CHAERO C[N@H+](CC1CCCCC1)[C@H](CN)c1ccc(Cl)cc1 ZINC000020226035 171089900 /nfs/dbraw/zinc/08/99/00/171089900.db2.gz UTHCHGCVCOTXQR-MRXNPFEDSA-N 1 0 280.843 3.852 10 0 CHAERO CN(Cc1ccc(F)cc1)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225909 171089937 /nfs/dbraw/zinc/08/99/37/171089937.db2.gz RRVVDJWFJBUDEM-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO C[N@H+](CC(C)(C)C)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226328 171092134 /nfs/dbraw/zinc/09/21/34/171092134.db2.gz YLJDDENGBFAFFB-INIZCTEOSA-N 1 0 276.468 3.962 10 0 CHAERO CCc1ccc(CN(CCC[NH3+])c2ccccc2F)cc1 ZINC000020237156 171096547 /nfs/dbraw/zinc/09/65/47/171096547.db2.gz XEPDQTKQPZCXEV-UHFFFAOYSA-N 1 0 286.394 3.744 10 0 CHAERO CC[NH+]1CCC(Nc2cccc(Cl)c2Cl)CC1 ZINC000020245738 171098973 /nfs/dbraw/zinc/09/89/73/171098973.db2.gz VVEKCICYRIPWCV-UHFFFAOYSA-N 1 0 273.207 3.890 10 0 CHAERO CC[NH+](CC)CC[C@@H](N)c1ccc(Cl)c(Cl)c1 ZINC000020274023 171130857 /nfs/dbraw/zinc/13/08/57/171130857.db2.gz JPCUJCSZCDCDDK-CYBMUJFWSA-N 1 0 275.223 3.725 10 0 CHAERO CC(C)c1ccc(COc2ccc(C[NH3+])cc2)cc1 ZINC000020352288 171156235 /nfs/dbraw/zinc/15/62/35/171156235.db2.gz IXNMCERKRGOMLE-UHFFFAOYSA-N 1 0 255.361 3.848 10 0 CHAERO CC(C)[C@H](C)[NH2+]Cc1ccc(F)cc1Br ZINC000020364012 171162814 /nfs/dbraw/zinc/16/28/14/171162814.db2.gz PORVGDGEPPJFLQ-VIFPVBQESA-N 1 0 274.177 3.722 10 0 CHAERO COc1cccc(C[C@@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000020375036 171170569 /nfs/dbraw/zinc/17/05/69/171170569.db2.gz KYMVYHWSZFNLHD-LLVKDONJSA-N 1 0 267.781 3.653 10 0 CHAERO C[C@H](Nc1cc[nH+]cc1N)C12CC3CC(CC(C3)C1)C2 ZINC000020382017 171172343 /nfs/dbraw/zinc/17/23/43/171172343.db2.gz XDMJCGWOJWOJFA-GVMDUPDNSA-N 1 0 271.408 3.681 10 0 CHAERO [NH3+][C@H](CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000020429980 171195052 /nfs/dbraw/zinc/19/50/52/171195052.db2.gz LITKGGXGWMBMDE-CQSZACIVSA-N 1 0 292.741 3.508 10 0 CHAERO Cc1cc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)o1 ZINC000020438926 171203131 /nfs/dbraw/zinc/20/31/31/171203131.db2.gz HZKCXSHVORZRFB-KDOFPFPSSA-N 1 0 286.419 3.850 10 0 CHAERO CC[C@H]1CCCC[C@@H]1Oc1ccc(C[NH3+])cc1F ZINC000020470051 171211281 /nfs/dbraw/zinc/21/12/81/171211281.db2.gz DZQSWPIZGLBUCG-JSGCOSHPSA-N 1 0 251.345 3.632 10 0 CHAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000020470567 171212358 /nfs/dbraw/zinc/21/23/58/171212358.db2.gz UOQLJMJEOACWPE-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000020482332 171223015 /nfs/dbraw/zinc/22/30/15/171223015.db2.gz ZZSZAESDIWPJMP-LRDDRELGSA-N 1 0 265.397 3.920 10 0 CHAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020522000 171235537 /nfs/dbraw/zinc/23/55/37/171235537.db2.gz LNVKYNXOCXFIKC-NOZJJQNGSA-N 1 0 286.213 3.894 10 0 CHAERO CC[NH2+]CCCOc1ccc(Oc2ccccc2)cc1 ZINC000020525255 171238204 /nfs/dbraw/zinc/23/82/04/171238204.db2.gz ZGYPZKIKCFSIME-UHFFFAOYSA-N 1 0 271.360 3.857 10 0 CHAERO COC[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)cc2)C1 ZINC000020541385 171241999 /nfs/dbraw/zinc/24/19/99/171241999.db2.gz FNOGULLYYUGWJV-MRXNPFEDSA-N 1 0 299.389 3.961 10 0 CHAERO CCN(c1cccc2ccccc21)[C@H](C[NH3+])C(C)C ZINC000020546375 171244041 /nfs/dbraw/zinc/24/40/41/171244041.db2.gz RVBHYXZEKDWXEX-QGZVFWFLSA-N 1 0 256.393 3.649 10 0 CHAERO Cc1cc(C)c([C@@H](N)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000020547300 171244837 /nfs/dbraw/zinc/24/48/37/171244837.db2.gz YKMMPXQBBIODQE-KRWDZBQOSA-N 1 0 274.452 3.876 10 0 CHAERO Cc1cccc(OC[C@H]([NH3+])c2ccccc2C)c1C ZINC000020548715 171246004 /nfs/dbraw/zinc/24/60/04/171246004.db2.gz KNNIDVJTAXKGGH-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)c1ccc([C@H]([NH3+])COc2ccccc2)cc1 ZINC000020552869 171248308 /nfs/dbraw/zinc/24/83/08/171248308.db2.gz VOPZJOGZGTUUDZ-QGZVFWFLSA-N 1 0 255.361 3.889 10 0 CHAERO CC[N@H+](C[C@@H](N)c1cc(C)ccc1C)C1CCCCC1 ZINC000020554766 171249644 /nfs/dbraw/zinc/24/96/44/171249644.db2.gz JWMDBWQVLSGPCO-GOSISDBHSA-N 1 0 274.452 3.958 10 0 CHAERO C[C@@H]1CN([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000020556020 171249719 /nfs/dbraw/zinc/24/97/19/171249719.db2.gz WMPHWCPDGZLZCH-XWTMOSNGSA-N 1 0 296.499 3.706 10 0 CHAERO CC[NH+](CC)C[C@H](N)c1ccc(-c2ccccc2)cc1 ZINC000020561400 171251899 /nfs/dbraw/zinc/25/18/99/171251899.db2.gz BPBZKMJUUVEPNM-SFHVURJKSA-N 1 0 268.404 3.695 10 0 CHAERO [NH3+][C@@H]1c2ccccc2C[C@@H]1Oc1cccc2ccccc21 ZINC000020567407 171255155 /nfs/dbraw/zinc/25/51/55/171255155.db2.gz PLZAAGCJIDPPHA-RBUKOAKNSA-N 1 0 275.351 3.843 10 0 CHAERO CCC[C@@H](C)[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586577 171259445 /nfs/dbraw/zinc/25/94/45/171259445.db2.gz YVJKADJSVWZNAR-NOZJJQNGSA-N 1 0 286.213 3.894 10 0 CHAERO CCCCOCCC[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020935292 171281847 /nfs/dbraw/zinc/28/18/47/171281847.db2.gz PMFFCFUGYJRUFM-UHFFFAOYSA-N 1 0 288.435 3.958 10 0 CHAERO CCCC[N@H+](CC)[C@@H](C(C)C)[C@@H](N)c1ccccc1 ZINC000021010985 171287064 /nfs/dbraw/zinc/28/70/64/171287064.db2.gz UXAGHQTYEAJSQE-IRXDYDNUSA-N 1 0 262.441 3.833 10 0 CHAERO C[C@H]1CCCC[N@@H+]1C1(CN)CCC(c2ccccc2)CC1 ZINC000021012169 171287522 /nfs/dbraw/zinc/28/75/22/171287522.db2.gz CIPSCAWMAZLHBV-IVMQYODDSA-N 1 0 286.463 3.916 10 0 CHAERO [NH3+][C@@H](COc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000021013235 171288614 /nfs/dbraw/zinc/28/86/14/171288614.db2.gz LRXFIKYQGBWOBO-BMRMXDDPSA-N 1 0 289.394 3.748 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC000021015839 171289752 /nfs/dbraw/zinc/28/97/52/171289752.db2.gz VATSLSGCZWPGEU-COXVUDFISA-N 1 0 261.409 3.985 10 0 CHAERO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1OC[C@@H]1CCCO1 ZINC000021018650 171290376 /nfs/dbraw/zinc/29/03/76/171290376.db2.gz YFRSUQJSDVLHCV-BBWFWOEESA-N 1 0 283.456 3.793 10 0 CHAERO CC(C)CCO[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021046468 171294540 /nfs/dbraw/zinc/29/45/40/171294540.db2.gz NJPJZFVMGXMQLJ-ULQDDVLXSA-N 1 0 261.409 3.713 10 0 CHAERO Cc1cc(C)c([C@@H]([NH3+])CN(C)c2ccccc2)c(C)c1 ZINC000021056479 171296081 /nfs/dbraw/zinc/29/60/81/171296081.db2.gz WJJFQSSAYXTWRZ-KRWDZBQOSA-N 1 0 268.404 3.748 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H]1CCCC[NH2+]1 ZINC000021507274 171308461 /nfs/dbraw/zinc/30/84/61/171308461.db2.gz IPBUIVCNBXWVAD-QXSJWSMHSA-N 1 0 253.430 3.606 10 0 CHAERO c1cc2c(cc1CC[NH2+]C1CCCCCCC1)OCCO2 ZINC000021507083 171308532 /nfs/dbraw/zinc/30/85/32/171308532.db2.gz FWYNZUJBVWLTRS-UHFFFAOYSA-N 1 0 289.419 3.703 10 0 CHAERO CC[C@H](C)C[C@](CC)(CN)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508359 171308892 /nfs/dbraw/zinc/30/88/92/171308892.db2.gz SEERTIVLJNUNCR-CAOSSQGBSA-N 1 0 254.462 3.508 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1ccc(C)cc1 ZINC000021508598 171309270 /nfs/dbraw/zinc/30/92/70/171309270.db2.gz REMOWKPXBYFBDZ-OIISXLGYSA-N 1 0 261.409 3.980 10 0 CHAERO CCCCCOc1ccc(C[NH2+]CCCOCC)cc1 ZINC000021516841 171313282 /nfs/dbraw/zinc/31/32/82/171313282.db2.gz BDHLKTNNSRFWTP-UHFFFAOYSA-N 1 0 279.424 3.772 10 0 CHAERO CC(C)N(CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(C)C ZINC000021788802 171323159 /nfs/dbraw/zinc/32/31/59/171323159.db2.gz GTUPWGGTHRMTGK-HZPDHXFCSA-N 1 0 268.489 3.910 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](CN)c2cccc3ccccc32)C1 ZINC000021789256 171323375 /nfs/dbraw/zinc/32/33/75/171323375.db2.gz TWACVIOHZPVSNY-KHYOSLBOSA-N 1 0 282.431 3.818 10 0 CHAERO Cc1nccn1[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021789399 171323411 /nfs/dbraw/zinc/32/34/11/171323411.db2.gz IDNYKDFSIOWHDH-JKSUJKDBSA-N 1 0 263.429 3.975 10 0 CHAERO CC[N@H+](C[C@H](N)c1ccccc1C)C1CCCCC1 ZINC000021809740 171328526 /nfs/dbraw/zinc/32/85/26/171328526.db2.gz HBTBGTRQLRKDHP-KRWDZBQOSA-N 1 0 260.425 3.649 10 0 CHAERO [NH3+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1Oc1ccccc1 ZINC000021812238 171329738 /nfs/dbraw/zinc/32/97/38/171329738.db2.gz HKZIXNDMXQQEDV-NXHRZFHOSA-N 1 0 267.372 3.729 10 0 CHAERO CCc1ccc([C@@H]([NH3+])CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000021814534 171331590 /nfs/dbraw/zinc/33/15/90/171331590.db2.gz ULABOQNCGYBRSH-JQFCIGGWSA-N 1 0 261.409 3.844 10 0 CHAERO CC[N@H+]([C@@H](CN)c1ccc(Cl)cc1)C1CCCCC1 ZINC000022151802 171358907 /nfs/dbraw/zinc/35/89/07/171358907.db2.gz XHNIKJWKUXMRMG-INIZCTEOSA-N 1 0 280.843 3.994 10 0 CHAERO Cc1ccc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)c(C)c1 ZINC000022219777 171377443 /nfs/dbraw/zinc/37/74/43/171377443.db2.gz ACQOZRGUSOHZMN-ZDUSSCGKSA-N 1 0 268.360 3.575 10 0 CHAERO NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCCC1 ZINC000022221694 171378421 /nfs/dbraw/zinc/37/84/21/171378421.db2.gz OVEUSKGLFQTZBF-CQSZACIVSA-N 1 0 286.341 3.581 10 0 CHAERO CN1CC[NH+]([C@H]2C[C@@H](c3ccccc3)c3ccccc32)CC1 ZINC000022778642 171398906 /nfs/dbraw/zinc/39/89/06/171398906.db2.gz PBNIVFQAAKTXAH-PMACEKPBSA-N 1 0 292.426 3.511 10 0 CHAERO Cc1ccc(O[C@@H](C[NH3+])c2ccccc2)c(Cl)c1 ZINC000032112287 171704944 /nfs/dbraw/zinc/70/49/44/171704944.db2.gz LRZNDNRYWVSWCA-HNNXBMFYSA-N 1 0 261.752 3.727 10 0 CHAERO COc1cc(C[NH2+]C(C)(C)C)ccc1OCC(C)C ZINC000032114240 171707775 /nfs/dbraw/zinc/70/77/75/171707775.db2.gz CWGSDSCKWYGIAU-UHFFFAOYSA-N 1 0 265.397 3.618 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(Sc2ccccn2)c(F)c1 ZINC000034668750 171855318 /nfs/dbraw/zinc/85/53/18/171855318.db2.gz BBEWJVUOCARTGT-JTQLQIEISA-N 1 0 262.353 3.652 10 0 CHAERO C[NH2+][C@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000034819112 171872099 /nfs/dbraw/zinc/87/20/99/171872099.db2.gz PTLKCJGWCMBGHR-CQSZACIVSA-N 1 0 255.361 3.854 10 0 CHAERO CCC[NH2+][C@H](C)c1cccc(OCC(F)(F)F)c1 ZINC000034822488 171875587 /nfs/dbraw/zinc/87/55/87/171875587.db2.gz CMGOGEYDDMOSLK-SNVBAGLBSA-N 1 0 261.287 3.688 10 0 CHAERO CCC[NH2+][C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC000034841738 171885097 /nfs/dbraw/zinc/88/50/97/171885097.db2.gz PYYLQGGPBMKVPD-AWEZNQCLSA-N 1 0 257.381 3.550 10 0 CHAERO c1csc(CC[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000035162027 172022489 /nfs/dbraw/zinc/02/24/89/172022489.db2.gz IQNRZAWLFLPLQO-UHFFFAOYSA-N 1 0 261.434 3.705 10 0 CHAERO CC(C)CC[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000035163326 172024004 /nfs/dbraw/zinc/02/40/04/172024004.db2.gz OHRHFLHNFNQZPU-KRWDZBQOSA-N 1 0 254.377 3.807 10 0 CHAERO CC(C)[C@H]([C@@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000035206602 172050610 /nfs/dbraw/zinc/05/06/10/172050610.db2.gz PSJJPWLLDPPLMW-RBUKOAKNSA-N 1 0 282.431 3.843 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@@H]1CCCCCC[C@@H]1N ZINC000035219753 172060324 /nfs/dbraw/zinc/06/03/24/172060324.db2.gz ZTLBWBQASYOHHQ-JKSUJKDBSA-N 1 0 252.446 3.691 10 0 CHAERO C[N@H+](C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000035219780 172061237 /nfs/dbraw/zinc/06/12/37/172061237.db2.gz VEVGFBHUMWDYFW-CWRNSKLLSA-N 1 0 266.473 3.793 10 0 CHAERO CC(C)CC[NH2+][C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000035273308 172093449 /nfs/dbraw/zinc/09/34/49/172093449.db2.gz PHGUGSURDUJMJP-NEPJUHHUSA-N 1 0 267.335 3.512 10 0 CHAERO CC(C)(C)[C@H]([NH3+])c1nc2cccc(Cl)c2s1 ZINC000035411304 172182978 /nfs/dbraw/zinc/18/29/78/172182978.db2.gz BTPXSYRUFXKYSO-SNVBAGLBSA-N 1 0 254.786 3.996 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2F)cc1F ZINC000035424600 172193445 /nfs/dbraw/zinc/19/34/45/172193445.db2.gz JNQSZUYEBVTSQD-CQSZACIVSA-N 1 0 283.705 3.675 10 0 CHAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCCC[C@H]2C)c(F)c1 ZINC000035438992 172203266 /nfs/dbraw/zinc/20/32/66/172203266.db2.gz HPCVUXWXPRNBDE-GYSYKLTISA-N 1 0 251.345 3.803 10 0 CHAERO C[NH2+][C@@H](c1cc(Br)ccc1OC)C1CCCC1 ZINC000035456757 172206643 /nfs/dbraw/zinc/20/66/43/172206643.db2.gz IYBKYHLUOFEBKK-CQSZACIVSA-N 1 0 298.224 3.908 10 0 CHAERO C[NH2+][C@@H](c1cc(Br)ccc1OC)C1CCC1 ZINC000035456764 172206747 /nfs/dbraw/zinc/20/67/47/172206747.db2.gz IHDVZKKCIZSKRV-CYBMUJFWSA-N 1 0 284.197 3.518 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(C)s1 ZINC000035459394 172208392 /nfs/dbraw/zinc/20/83/92/172208392.db2.gz AVFKGZHYLZMOHM-AWEZNQCLSA-N 1 0 261.390 3.568 10 0 CHAERO C[NH2+][C@H](CCc1ccccc1)c1cc(F)ccc1F ZINC000035468735 172218790 /nfs/dbraw/zinc/21/87/90/172218790.db2.gz YDNQBQGWKSVESI-MRXNPFEDSA-N 1 0 261.315 3.858 10 0 CHAERO C[NH2+][C@H](c1ccc2c(c1)CCC2)c1ccccc1C ZINC000035497079 172230712 /nfs/dbraw/zinc/23/07/12/172230712.db2.gz YDMILPIRKGMMOJ-GOSISDBHSA-N 1 0 251.373 3.793 10 0 CHAERO c1ccc(Oc2cccc([C@H]3[NH2+]CCS3)c2)cc1 ZINC000035506127 172238927 /nfs/dbraw/zinc/23/89/27/172238927.db2.gz FKGZXIJSKRJZPW-HNNXBMFYSA-N 1 0 257.358 3.814 10 0 CHAERO CCOc1ccc(Br)cc1[C@@H]([NH2+]C)C1CC1 ZINC000035505826 172239244 /nfs/dbraw/zinc/23/92/44/172239244.db2.gz ZOEBIVHEBHAGRA-ZDUSSCGKSA-N 1 0 284.197 3.518 10 0 CHAERO CCOc1ccc(Br)cc1[C@H]([NH2+]C)C1CCC1 ZINC000035505952 172239321 /nfs/dbraw/zinc/23/93/21/172239321.db2.gz FCPOTMYWKDVPSR-CQSZACIVSA-N 1 0 298.224 3.908 10 0 CHAERO CCC[C@@H]([NH2+]CC)c1cc(Br)ccc1OC ZINC000035508877 172240660 /nfs/dbraw/zinc/24/06/60/172240660.db2.gz XTTCHHJTJBQCRO-GFCCVEGCSA-N 1 0 286.213 3.908 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@@H]1Cc2ccccc2O1 ZINC000035510148 172241640 /nfs/dbraw/zinc/24/16/40/172241640.db2.gz UPCOVEABNRJNCJ-GOEBONIOSA-N 1 0 273.401 3.711 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1C ZINC000035540890 172247710 /nfs/dbraw/zinc/24/77/10/172247710.db2.gz XUPARZDPLIGPIT-KRWDZBQOSA-N 1 0 255.361 3.703 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(F)c1 ZINC000035540862 172247713 /nfs/dbraw/zinc/24/77/13/172247713.db2.gz NSVFQCLOCSLWQP-INIZCTEOSA-N 1 0 259.324 3.533 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1cc(F)cc(F)c1 ZINC000035545498 172253610 /nfs/dbraw/zinc/25/36/10/172253610.db2.gz WAWYARMNCANIND-ZDUSSCGKSA-N 1 0 253.317 3.725 10 0 CHAERO CCCC[C@H]([NH2+]CC)c1ccc(OC)cc1OC ZINC000035545997 172254082 /nfs/dbraw/zinc/25/40/82/172254082.db2.gz JLWKJEVOJAJSDB-AWEZNQCLSA-N 1 0 251.370 3.545 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1cc(F)ccc1OC ZINC000035554339 172261198 /nfs/dbraw/zinc/26/11/98/172261198.db2.gz CYZWGNZCMCGADG-AWEZNQCLSA-N 1 0 265.353 3.595 10 0 CHAERO CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000035559022 172264197 /nfs/dbraw/zinc/26/41/97/172264197.db2.gz BSSXPLXSOLUTCV-STQMWFEESA-N 1 0 274.191 3.823 10 0 CHAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(OC)c(F)c1 ZINC000035572118 172267961 /nfs/dbraw/zinc/26/79/61/172267961.db2.gz JWVGTXCWNYVLCB-INIZCTEOSA-N 1 0 259.324 3.533 10 0 CHAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(OC)c(F)c1 ZINC000035572173 172268221 /nfs/dbraw/zinc/26/82/21/172268221.db2.gz GZZGNMAVBROMKC-ABAIWWIYSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(CC)s1)[C@H]1CCCO1 ZINC000035573636 172270753 /nfs/dbraw/zinc/27/07/53/172270753.db2.gz WHWXYYYPAQGBIT-TZMCWYRMSA-N 1 0 253.411 3.530 10 0 CHAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000035575399 172271727 /nfs/dbraw/zinc/27/17/27/172271727.db2.gz VOLQSZLPQUQUDE-ZIAGYGMSSA-N 1 0 253.773 3.560 10 0 CHAERO CCC[NH2+][C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000035575232 172272106 /nfs/dbraw/zinc/27/21/06/172272106.db2.gz BYTPQDMAERZLMI-HNNXBMFYSA-N 1 0 260.768 3.824 10 0 CHAERO CCC[NH2+][C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000035577988 172274253 /nfs/dbraw/zinc/27/42/53/172274253.db2.gz BKLJSCAQEYEKDP-MRXNPFEDSA-N 1 0 263.381 3.545 10 0 CHAERO CCC[NH2+][C@@H](C)c1cc2c(cc1Cl)OCCCO2 ZINC000035584663 172283802 /nfs/dbraw/zinc/28/38/02/172283802.db2.gz KIVCWFNTAVTBKH-JTQLQIEISA-N 1 0 269.772 3.562 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)OCC(C)C)cc1 ZINC000035645413 172323036 /nfs/dbraw/zinc/32/30/36/172323036.db2.gz OHOFVBVXMRCWKS-LBPRGKRZSA-N 1 0 264.369 3.562 10 0 CHAERO Cc1cc2c(c(C)c1Cl)[C@H]([NH2+]C(C)C)CCO2 ZINC000035657755 172332024 /nfs/dbraw/zinc/33/20/24/172332024.db2.gz NLJWXBSQNJHEOI-LLVKDONJSA-N 1 0 253.773 3.778 10 0 CHAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(C)C ZINC000035661949 172339406 /nfs/dbraw/zinc/33/94/06/172339406.db2.gz LXFWDISRVWVBGW-UHFFFAOYSA-N 1 0 262.180 3.748 10 0 CHAERO NC(=[NH2+])c1ccccc1CSc1cc(F)ccc1F ZINC000035676314 172346475 /nfs/dbraw/zinc/34/64/75/172346475.db2.gz YPTJLZBSHVAXQL-UHFFFAOYSA-N 1 0 278.327 3.541 10 0 CHAERO C[NH2+][C@@H](C)c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717652 172371159 /nfs/dbraw/zinc/37/11/59/172371159.db2.gz SWRLTOWNGWXVJX-NSHDSACASA-N 1 0 278.396 3.804 10 0 CHAERO CC(C)CSc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000035719880 172374491 /nfs/dbraw/zinc/37/44/91/172374491.db2.gz OYZIFFCQDNBFLA-UHFFFAOYSA-N 1 0 263.328 3.912 10 0 CHAERO [NH3+]Cc1ccccc1Sc1cc(F)ccc1F ZINC000035720285 172375012 /nfs/dbraw/zinc/37/50/12/172375012.db2.gz PWWUYFIMXPMRFA-UHFFFAOYSA-N 1 0 251.301 3.575 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1ccccc1F ZINC000035723160 172378647 /nfs/dbraw/zinc/37/86/47/172378647.db2.gz OXABUTWXBQAPSI-WCQYABFASA-N 1 0 253.386 3.825 10 0 CHAERO [NH3+]Cc1cccc(COCc2ccccc2Cl)c1 ZINC000035725701 172380289 /nfs/dbraw/zinc/38/02/89/172380289.db2.gz HGJPBRGZPLDTQR-UHFFFAOYSA-N 1 0 261.752 3.516 10 0 CHAERO Cc1ccc(Cl)c(OCc2ccccc2C[NH3+])c1 ZINC000035725981 172380721 /nfs/dbraw/zinc/38/07/21/172380721.db2.gz HVSOJGQSGBKADK-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO COc1c(C)cnc(C[NH2+][C@H](C)c2cccs2)c1C ZINC000035737063 172390571 /nfs/dbraw/zinc/39/05/71/172390571.db2.gz CTCWFKGBKNIPGF-GFCCVEGCSA-N 1 0 276.405 3.619 10 0 CHAERO CCC[NH2+][C@@H]1c2cc3c(cc2SC[C@H]1C)CCC3 ZINC000035761085 172399605 /nfs/dbraw/zinc/39/96/05/172399605.db2.gz HMWPOHMASILDJN-BZNIZROVSA-N 1 0 261.434 3.958 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]C2CC2)c2c(F)ccc(F)c2S1 ZINC000035763145 172403735 /nfs/dbraw/zinc/40/37/35/172403735.db2.gz SAAQIOJXHGYYLL-RDDDGLTNSA-N 1 0 255.333 3.642 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)cc1F)C1CCCCC1 ZINC000036766662 172685243 /nfs/dbraw/zinc/68/52/43/172685243.db2.gz ONDHONWENXUVCI-OAHLLOKOSA-N 1 0 251.345 3.675 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)cc1F)C1CCCCC1 ZINC000036766663 172685402 /nfs/dbraw/zinc/68/54/02/172685402.db2.gz ONDHONWENXUVCI-HNNXBMFYSA-N 1 0 251.345 3.675 10 0 CHAERO FC(F)Sc1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000036919625 172804316 /nfs/dbraw/zinc/80/43/16/172804316.db2.gz PRCPZCFOILZIND-ZDUSSCGKSA-N 1 0 284.375 3.507 10 0 CHAERO Oc1ccc(CNc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000036959115 172828281 /nfs/dbraw/zinc/82/82/81/172828281.db2.gz JGRNILQFZSFTGV-UHFFFAOYSA-N 1 0 282.387 3.600 10 0 CHAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(C)c(F)c2)C1 ZINC000037210185 173031588 /nfs/dbraw/zinc/03/15/88/173031588.db2.gz LFFBGBKBYKODEP-ZIAGYGMSSA-N 1 0 264.388 3.666 10 0 CHAERO C[C@@H](Nc1ccc(F)cc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000037222088 173041934 /nfs/dbraw/zinc/04/19/34/173041934.db2.gz OVMRPCYHRDGWKZ-GHMZBOCLSA-N 1 0 270.779 3.621 10 0 CHAERO CCC[NH+](CCC)[C@H](C)[C@@H](N)c1ccc(CC)cc1 ZINC000037223706 173043504 /nfs/dbraw/zinc/04/35/04/173043504.db2.gz VZPZABWOIKNWLZ-RHSMWYFYSA-N 1 0 262.441 3.759 10 0 CHAERO CCc1ccc([C@H](N)[C@@H](C)[N@H+](CC)CC(C)C)cc1 ZINC000037223835 173045024 /nfs/dbraw/zinc/04/50/24/173045024.db2.gz HBSZOGHBUKUVFY-RHSMWYFYSA-N 1 0 262.441 3.615 10 0 CHAERO [NH3+]Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000037237802 173055035 /nfs/dbraw/zinc/05/50/35/173055035.db2.gz RGDCWTISUPDFMA-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO CC(C)C[C@@H](C)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000037260403 173070925 /nfs/dbraw/zinc/07/09/25/173070925.db2.gz SKAHKRYHPGNOQJ-SNVBAGLBSA-N 1 0 269.772 3.593 10 0 CHAERO Cc1ccc(C(=O)[C@H](C)[N@H+](C)C2CCCC2)cc1C ZINC000037334800 173135682 /nfs/dbraw/zinc/13/56/82/173135682.db2.gz RPCPKSCCGQUMLK-AWEZNQCLSA-N 1 0 259.393 3.749 10 0 CHAERO CC[N@H+](CC(C)C)[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037336301 173136421 /nfs/dbraw/zinc/13/64/21/173136421.db2.gz PHGOXVFJKYBDJZ-NSHDSACASA-N 1 0 269.335 3.514 10 0 CHAERO CCCc1ccc(C(=O)C[N@@H+](CCC)C(C)C)cc1 ZINC000037335211 173136464 /nfs/dbraw/zinc/13/64/64/173136464.db2.gz QUZHBCYKLAWLTH-UHFFFAOYSA-N 1 0 261.409 3.942 10 0 CHAERO CC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1F ZINC000037409284 173185618 /nfs/dbraw/zinc/18/56/18/173185618.db2.gz GVRWNDHJYMDPPQ-MRXNPFEDSA-N 1 0 259.324 3.533 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@H]([NH3+])[C@H](C)CC ZINC000037438360 173208757 /nfs/dbraw/zinc/20/87/57/173208757.db2.gz RMSLVSSUFUKPNH-IUODEOHRSA-N 1 0 259.397 3.801 10 0 CHAERO CCCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1CC ZINC000037440374 173210460 /nfs/dbraw/zinc/21/04/60/173210460.db2.gz OIWDMQDQBYHSPS-LLVKDONJSA-N 1 0 265.788 3.900 10 0 CHAERO CC[C@H]([NH3+])c1nc2cccc(Cl)c2n1C(C)C ZINC000037444251 173211886 /nfs/dbraw/zinc/21/18/86/173211886.db2.gz LCXYMVYOIRXEKC-JTQLQIEISA-N 1 0 251.761 3.680 10 0 CHAERO C[C@]([NH3+])(c1cccc(F)c1)c1ccccc1Br ZINC000037529769 173252935 /nfs/dbraw/zinc/25/29/35/173252935.db2.gz VKGCYTDZESJBKH-AWEZNQCLSA-N 1 0 294.167 3.810 10 0 CHAERO COc1cccc([C@@](C)([NH3+])Cc2ccccc2Cl)c1 ZINC000037531525 173253335 /nfs/dbraw/zinc/25/33/35/173253335.db2.gz YMNZKZVAVOSKLE-INIZCTEOSA-N 1 0 275.779 3.765 10 0 CHAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000037532925 173254056 /nfs/dbraw/zinc/25/40/56/173254056.db2.gz ZKICMLYBARQZPT-MRXNPFEDSA-N 1 0 275.779 3.852 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000037535247 173254237 /nfs/dbraw/zinc/25/42/37/173254237.db2.gz QQVYLYDDTABRRE-JKSUJKDBSA-N 1 0 281.827 3.820 10 0 CHAERO CC[C@H]([NH3+])Cc1cccc(OCc2cccs2)c1 ZINC000037726832 173645518 /nfs/dbraw/zinc/64/55/18/173645518.db2.gz SNBDGNLMJXYTFT-ZDUSSCGKSA-N 1 0 261.390 3.607 10 0 CHAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1cc[nH]n1 ZINC000037906530 173839063 /nfs/dbraw/zinc/83/90/63/173839063.db2.gz HOZXHUIJEFQSGY-SECBINFHSA-N 1 0 284.190 3.610 10 0 CHAERO C[C@H]1CCCN1c1cccc(Cl)c1C[NH2+]C1CC1 ZINC000037911761 173844756 /nfs/dbraw/zinc/84/47/56/173844756.db2.gz JRUHVSZAIUKJQC-NSHDSACASA-N 1 0 264.800 3.581 10 0 CHAERO CCC[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1CC ZINC000037914741 173848899 /nfs/dbraw/zinc/84/88/99/173848899.db2.gz JNRQRXJURKMTAM-HNNXBMFYSA-N 1 0 264.388 3.704 10 0 CHAERO CCCCCC[C@](C)([NH2+]C1CCCCCC1)C(N)=O ZINC000037970403 173919989 /nfs/dbraw/zinc/91/99/89/173919989.db2.gz PHKDOJKXJSKOKR-INIZCTEOSA-N 1 0 268.445 3.513 10 0 CHAERO CC[C@H](Cc1cc(F)ccc1Br)[C@H](C)[NH3+] ZINC000038004307 173965866 /nfs/dbraw/zinc/96/58/66/173965866.db2.gz HRDJALQKOYXZGB-DTWKUNHWSA-N 1 0 274.177 3.504 10 0 CHAERO CC[C@@H](Cc1cc(Br)ccc1F)[C@@H](C)[NH2+]C ZINC000038004644 173966727 /nfs/dbraw/zinc/96/67/27/173966727.db2.gz ILKUUOXJKPWKMZ-ZJUUUORDSA-N 1 0 288.204 3.765 10 0 CHAERO Nc1cccc2c1CC[N@@H+]([C@@H]1CCSc3ccccc31)C2 ZINC000038032652 174028557 /nfs/dbraw/zinc/02/85/57/174028557.db2.gz HDTKJCWLKRODQG-QGZVFWFLSA-N 1 0 296.439 3.864 10 0 CHAERO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032482 174029079 /nfs/dbraw/zinc/02/90/79/174029079.db2.gz HYLAPAOSPCMHPP-LBPRGKRZSA-N 1 0 270.351 3.527 10 0 CHAERO Cc1cc([C@H](C)[N@@H+]2CCc3c(N)cccc3C2)c(C)o1 ZINC000038032538 174029288 /nfs/dbraw/zinc/02/92/88/174029288.db2.gz VUMLLMBQRORHQW-LBPRGKRZSA-N 1 0 270.376 3.598 10 0 CHAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038044163 174051653 /nfs/dbraw/zinc/05/16/53/174051653.db2.gz SMMHIAFWSPFGIW-RDJZCZTQSA-N 1 0 275.436 3.962 10 0 CHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038044164 174051780 /nfs/dbraw/zinc/05/17/80/174051780.db2.gz SMMHIAFWSPFGIW-NVXWUHKLSA-N 1 0 275.436 3.962 10 0 CHAERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038044530 174051995 /nfs/dbraw/zinc/05/19/95/174051995.db2.gz BUIJIEJAHGJRGD-CVEARBPZSA-N 1 0 291.435 3.799 10 0 CHAERO CCn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@H](C)[C@@H]1C ZINC000038046637 174055323 /nfs/dbraw/zinc/05/53/23/174055323.db2.gz PQRRMNOFPIBLNM-KKUMJFAQSA-N 1 0 285.435 3.971 10 0 CHAERO [NH3+][C@H]1CCCC[C@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000038050614 174062269 /nfs/dbraw/zinc/06/22/69/174062269.db2.gz FLFRSWXQLFLIPI-GXTWGEPZSA-N 1 0 275.783 3.570 10 0 CHAERO Cc1cccc2oc(CC[C@H]([NH3+])c3ccccc3)nc21 ZINC000038052713 174064124 /nfs/dbraw/zinc/06/41/24/174064124.db2.gz YDNKVONHTZHRAA-AWEZNQCLSA-N 1 0 266.344 3.769 10 0 CHAERO COC(=O)CCCC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000038064102 174075498 /nfs/dbraw/zinc/07/54/98/174075498.db2.gz YRAIHJYZLWYKCL-OAHLLOKOSA-N 1 0 263.381 3.543 10 0 CHAERO CC[NH2+]Cc1cc(-c2ccc(C)cc2)ccc1OC ZINC000038070059 174081095 /nfs/dbraw/zinc/08/10/95/174081095.db2.gz ZNONNDIVXNVCAK-UHFFFAOYSA-N 1 0 255.361 3.780 10 0 CHAERO CC[NH2+]Cc1cccc(-c2c(F)cc(F)cc2F)c1 ZINC000038072799 174083345 /nfs/dbraw/zinc/08/33/45/174083345.db2.gz ROSSQNJRXPCXJQ-UHFFFAOYSA-N 1 0 265.278 3.880 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1ccc2c(c1)CCC2 ZINC000038073346 174083415 /nfs/dbraw/zinc/08/34/15/174083415.db2.gz BJILXCVKTIFSNP-UHFFFAOYSA-N 1 0 251.373 3.952 10 0 CHAERO C[NH2+]Cc1cc(-c2ccc(OC)c(C)c2)ccc1F ZINC000038073656 174083990 /nfs/dbraw/zinc/08/39/90/174083990.db2.gz RKNWCERPGSGMCW-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO CCCCC[C@H]([NH2+]C[C@@H](C)N(C)C)c1ccccc1 ZINC000038087699 174099427 /nfs/dbraw/zinc/09/94/27/174099427.db2.gz QALQSKUMIRCYMN-WBVHZDCISA-N 1 0 262.441 3.848 10 0 CHAERO CCCCC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccccc1 ZINC000038087700 174099628 /nfs/dbraw/zinc/09/96/28/174099628.db2.gz QALQSKUMIRCYMN-NVXWUHKLSA-N 1 0 262.441 3.848 10 0 CHAERO [NH3+][C@H](Cc1ccc(F)cc1)c1ccccc1Br ZINC000038129165 174131764 /nfs/dbraw/zinc/13/17/64/174131764.db2.gz CSWJLBXWNHMFMV-CQSZACIVSA-N 1 0 294.167 3.831 10 0 CHAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccc(C)o1 ZINC000038131677 174132352 /nfs/dbraw/zinc/13/23/52/174132352.db2.gz XIICIQOMXOCVPB-CYBMUJFWSA-N 1 0 267.731 3.884 10 0 CHAERO CC[NH2+][C@H](Cc1ccccc1OC)c1sccc1C ZINC000038135164 174132934 /nfs/dbraw/zinc/13/29/34/174132934.db2.gz GOFUUFMBFMDEEE-CQSZACIVSA-N 1 0 275.417 3.958 10 0 CHAERO c1ccc(C(c2ccccc2)N2CC([NH+]3CCCC3)C2)cc1 ZINC000038439663 174141947 /nfs/dbraw/zinc/14/19/47/174141947.db2.gz GVMPKWBOEMVYOE-UHFFFAOYSA-N 1 0 292.426 3.556 10 0 CHAERO Cc1ccc2c(c1)[C@@H]([NH3+])CN2Cc1cccc(Cl)c1 ZINC000039941611 174175502 /nfs/dbraw/zinc/17/55/02/174175502.db2.gz TXWSOONVYAJMPT-HNNXBMFYSA-N 1 0 272.779 3.668 10 0 CHAERO Clc1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1c1ccccc1O2 ZINC000040135813 174194136 /nfs/dbraw/zinc/19/41/36/174194136.db2.gz DQUCRGAOGUQHJQ-ZIAGYGMSSA-N 1 0 271.747 3.916 10 0 CHAERO C[C@H]1CCC[C@@H](OC[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000040177344 174202502 /nfs/dbraw/zinc/20/25/02/174202502.db2.gz ZUHOOTSORCNMMI-WDMOLILDSA-N 1 0 269.335 3.560 10 0 CHAERO CCc1nc2ccc(Cl)cc2n1CCC[NH+](CC)CC ZINC000040403688 174253676 /nfs/dbraw/zinc/25/36/76/174253676.db2.gz MTOLXKHIYMTGPI-UHFFFAOYSA-N 1 0 293.842 3.984 10 0 CHAERO CCCn1c2cc(Cl)ccc2nc1[C@@H]1CCC[NH2+]1 ZINC000040417582 174255941 /nfs/dbraw/zinc/25/59/41/174255941.db2.gz VZTOMTOKYJHICY-LBPRGKRZSA-N 1 0 263.772 3.524 10 0 CHAERO CCC[NH+](CCC)[C@@H]1Cc2cccc(O)c2C[C@@H]1C ZINC000040466284 174275070 /nfs/dbraw/zinc/27/50/70/174275070.db2.gz RGZPLWVASVRKAR-XJKSGUPXSA-N 1 0 261.409 3.618 10 0 CHAERO CC[NH+](CC)CCOc1ccnc2cc(Cl)ccc21 ZINC000040575629 174341419 /nfs/dbraw/zinc/34/14/19/174341419.db2.gz NYKRJXBBBIZHOG-UHFFFAOYSA-N 1 0 278.783 3.609 10 0 CHAERO C[C@H]1CCC[C@@](C[NH2+]CCC(C)(C)C)(N(C)C)C1 ZINC000040669057 174367766 /nfs/dbraw/zinc/36/77/66/174367766.db2.gz SDOWYDFQGMMLIH-GOEBONIOSA-N 1 0 254.462 3.523 10 0 CHAERO [NH3+][C@H](c1nc2c(s1)CCC2)c1ccc2ccccc2c1 ZINC000041183494 174506725 /nfs/dbraw/zinc/50/67/25/174506725.db2.gz JAPARYOBBXDNRD-INIZCTEOSA-N 1 0 280.396 3.833 10 0 CHAERO Cc1cc(OCC[NH2+]CC2CCCC2)ccc1Cl ZINC000041386901 174542706 /nfs/dbraw/zinc/54/27/06/174542706.db2.gz OMZHZICSRVOCCA-UHFFFAOYSA-N 1 0 267.800 3.807 10 0 CHAERO CN(C)c1cc[nH+]cc1N[C@H](c1cccs1)C1CC1 ZINC000042329744 174687006 /nfs/dbraw/zinc/68/70/06/174687006.db2.gz TZQRARSCLJHMIB-HNNXBMFYSA-N 1 0 273.405 3.772 10 0 CHAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1cc(Cl)ccc1OC ZINC000042402219 174710596 /nfs/dbraw/zinc/71/05/96/174710596.db2.gz SKRNPZQFXLBLHC-BXUZGUMPSA-N 1 0 267.800 3.669 10 0 CHAERO CCCCC[N@H+](CC(=O)c1cccs1)C(C)C ZINC000042558313 174794707 /nfs/dbraw/zinc/79/47/07/174794707.db2.gz ALSFRWJSEVMUFN-UHFFFAOYSA-N 1 0 253.411 3.831 10 0 CHAERO CC[NH2+][C@@H](C)c1ccccc1N(CC1CC1)C(C)C ZINC000042584994 174807711 /nfs/dbraw/zinc/80/77/11/174807711.db2.gz LGVMFTRYNJHMSZ-AWEZNQCLSA-N 1 0 260.425 3.982 10 0 CHAERO CC[NH2+][C@H](C)c1ccccc1N(CC1CC1)C(C)C ZINC000042584997 174807955 /nfs/dbraw/zinc/80/79/55/174807955.db2.gz LGVMFTRYNJHMSZ-CQSZACIVSA-N 1 0 260.425 3.982 10 0 CHAERO CC[C@H]([NH2+]Cc1c[nH]nc1-c1cccs1)C(C)C ZINC000042586162 174808289 /nfs/dbraw/zinc/80/82/89/174808289.db2.gz YLZVEOVDZULNRV-LBPRGKRZSA-N 1 0 263.410 3.662 10 0 CHAERO Cc1ccc([C@@H]([C@H](C)N)[N@H+](CC(C)C)C(C)C)cc1 ZINC000042909803 174910148 /nfs/dbraw/zinc/91/01/48/174910148.db2.gz OQWLWRLISBTIHY-DOTOQJQBSA-N 1 0 262.441 3.750 10 0 CHAERO CCCCCCO[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042942236 174918682 /nfs/dbraw/zinc/91/86/82/174918682.db2.gz AQRHKUZDUASPDJ-SWLSCSKDSA-N 1 0 253.361 3.811 10 0 CHAERO C[C@H]([NH3+])[C@@H](OCc1ccco1)c1ccc(Cl)cc1 ZINC000042947848 174922914 /nfs/dbraw/zinc/92/29/14/174922914.db2.gz WHWUUTMVEXFWJS-IINYFYTJSA-N 1 0 265.740 3.538 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1ccc(Cl)cc1 ZINC000042950579 174923621 /nfs/dbraw/zinc/92/36/21/174923621.db2.gz VJDBJTFSKVTSAE-OLZOCXBDSA-N 1 0 293.823 3.701 10 0 CHAERO COc1ccc([C@H](OCCCC(C)C)[C@@H](C)[NH3+])cc1 ZINC000042963602 174927723 /nfs/dbraw/zinc/92/77/23/174927723.db2.gz IRMHVYMDWQGQED-CZUORRHYSA-N 1 0 265.397 3.536 10 0 CHAERO COc1ccc([C@@H](C[NH3+])Sc2ccc(F)cc2)cc1 ZINC000042964532 174928269 /nfs/dbraw/zinc/92/82/69/174928269.db2.gz UEOCNJFPBMIRAO-OAHLLOKOSA-N 1 0 277.364 3.626 10 0 CHAERO CCCCCO[C@H](c1cccc(F)c1)[C@@H]([NH3+])CC ZINC000042974164 174937590 /nfs/dbraw/zinc/93/75/90/174937590.db2.gz RFUXKBJYIMTICB-LSDHHAIUSA-N 1 0 253.361 3.811 10 0 CHAERO CC[C@H]([NH3+])[C@H](Sc1nncs1)c1cccc(Cl)c1 ZINC000043019211 174944357 /nfs/dbraw/zinc/94/43/57/174944357.db2.gz CDODPQGSAJWUFO-WDEREUQCSA-N 1 0 299.852 3.762 10 0 CHAERO CCc1ccc(O[C@@H](C[NH3+])c2ccccc2C)cc1 ZINC000043038457 174953052 /nfs/dbraw/zinc/95/30/52/174953052.db2.gz NAWYMBNZOSQCRH-KRWDZBQOSA-N 1 0 255.361 3.636 10 0 CHAERO Cc1ccccc1[C@H](Sc1ccccn1)[C@H](C)[NH3+] ZINC000043040988 174953136 /nfs/dbraw/zinc/95/31/36/174953136.db2.gz VQCRAGISOBDVNX-SWLSCSKDSA-N 1 0 258.390 3.571 10 0 CHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CC(F)(F)F ZINC000043051717 174959528 /nfs/dbraw/zinc/95/95/28/174959528.db2.gz OVOILDKOWPEPGM-NWDGAFQWSA-N 1 0 294.748 3.613 10 0 CHAERO Clc1ccc(Cl)c(SC[C@@H]2CCC[NH2+]2)c1 ZINC000043497079 175058122 /nfs/dbraw/zinc/05/81/22/175058122.db2.gz QYXBEAAEDFRKGK-VIFPVBQESA-N 1 0 262.205 3.838 10 0 CHAERO [NH3+][C@@H]1CCCC[C@@H]1Cc1sccc1Br ZINC000043676318 175088207 /nfs/dbraw/zinc/08/82/07/175088207.db2.gz HFGGPQULCBEQLY-PSASIEDQSA-N 1 0 274.227 3.571 10 0 CHAERO [NH3+]Cc1ccc(OCc2cc(Br)cs2)cc1 ZINC000043686716 175094551 /nfs/dbraw/zinc/09/45/51/175094551.db2.gz MXLPXBKJCKVSGC-UHFFFAOYSA-N 1 0 298.205 3.548 10 0 CHAERO CCc1ccc([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121772 175143067 /nfs/dbraw/zinc/14/30/67/175143067.db2.gz MZZKKHLYXMKTQV-VBQJREDUSA-N 1 0 261.409 3.545 10 0 CHAERO C[C@H]([NH3+])Cc1ccccc1Oc1ccc(F)cc1F ZINC000044461953 175177784 /nfs/dbraw/zinc/17/77/84/175177784.db2.gz FDTHJJQUFFDKTM-JTQLQIEISA-N 1 0 263.287 3.647 10 0 CHAERO CC(C)c1ccccc1NC(=O)C1(C[NH3+])CCCCC1 ZINC000044762128 175246281 /nfs/dbraw/zinc/24/62/81/175246281.db2.gz ROMQXQCNRBEUPI-UHFFFAOYSA-N 1 0 274.408 3.658 10 0 CHAERO C[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000045206318 175328563 /nfs/dbraw/zinc/32/85/63/175328563.db2.gz IXIYOMCZWPIKHX-UHFFFAOYSA-N 1 0 270.810 3.667 10 0 CHAERO CC(C)C[C@H]1[NH2+]CCc2c(F)ccc(Br)c21 ZINC000070821353 176007598 /nfs/dbraw/zinc/00/75/98/176007598.db2.gz NIZSBMRXCCQXRJ-GFCCVEGCSA-N 1 0 286.188 3.821 10 0 CHAERO COCCc1ccc([C@H]([NH3+])C2CCCCCC2)cc1 ZINC000071137989 176036222 /nfs/dbraw/zinc/03/62/22/176036222.db2.gz UZDSZQCXBWOWSO-QGZVFWFLSA-N 1 0 261.409 3.846 10 0 CHAERO [NH3+]C[C@@H](Oc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000071167268 176049442 /nfs/dbraw/zinc/04/94/42/176049442.db2.gz XLOQFCVLCVUILC-CQSZACIVSA-N 1 0 283.705 3.697 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2ccccc2C(C)(C)C)C1 ZINC000071174509 176053927 /nfs/dbraw/zinc/05/39/27/176053927.db2.gz ALHNFSIKDSFAGU-HNNXBMFYSA-N 1 0 274.452 3.808 10 0 CHAERO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]2C)C2CC2)cc1 ZINC000071206593 176080491 /nfs/dbraw/zinc/08/04/91/176080491.db2.gz UNKORGXEOIDJRH-JCURWCKSSA-N 1 0 259.393 3.925 10 0 CHAERO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000071207874 176080828 /nfs/dbraw/zinc/08/08/28/176080828.db2.gz MLVAWSBJUCVTLH-FZQKWOKYSA-N 1 0 288.218 3.805 10 0 CHAERO Cc1ncsc1C[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000071212928 176084959 /nfs/dbraw/zinc/08/49/59/176084959.db2.gz ANPUQWJBRAGGRR-GFCCVEGCSA-N 1 0 275.421 3.623 10 0 CHAERO [NH3+]Cc1cc(F)ccc1CSCc1ccccc1 ZINC000071264478 176097873 /nfs/dbraw/zinc/09/78/73/176097873.db2.gz DEQIXCXWXCQDBR-UHFFFAOYSA-N 1 0 261.365 3.718 10 0 CHAERO COc1ccc(Cl)cc1[C@@H](CCC[NH3+])C(C)C ZINC000071577194 176205416 /nfs/dbraw/zinc/20/54/16/176205416.db2.gz ZAFJRYLMSIJFSJ-LBPRGKRZSA-N 1 0 255.789 3.827 10 0 CHAERO C[C@H](OCC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000071582340 176207096 /nfs/dbraw/zinc/20/70/96/176207096.db2.gz LSSRVRIKGLFTMZ-ZDUSSCGKSA-N 1 0 257.333 3.515 10 0 CHAERO [NH3+]C1(c2ccc(Br)s2)CCCCC1 ZINC000071586013 176212016 /nfs/dbraw/zinc/21/20/16/176212016.db2.gz GCFXQDMYPVCPNC-UHFFFAOYSA-N 1 0 260.200 3.629 10 0 CHAERO CCCCc1ccc([C@H](C[NH3+])N2CCCCC2)cc1 ZINC000071587065 176214080 /nfs/dbraw/zinc/21/40/80/176214080.db2.gz NUEUHIWRUWGIMM-KRWDZBQOSA-N 1 0 260.425 3.515 10 0 CHAERO [NH3+]C[C@@H](c1cc(Br)cs1)C1CCCC1 ZINC000071613979 176233568 /nfs/dbraw/zinc/23/35/68/176233568.db2.gz PCWNXVFPZBTDTR-SNVBAGLBSA-N 1 0 274.227 3.743 10 0 CHAERO [NH3+]C[C@H](c1ccc(Br)s1)C1CCCC1 ZINC000071613971 176233778 /nfs/dbraw/zinc/23/37/78/176233778.db2.gz AURKKLFIVXUBLV-VIFPVBQESA-N 1 0 274.227 3.743 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2c1cccc(F)c1 ZINC000071633477 176237920 /nfs/dbraw/zinc/23/79/20/176237920.db2.gz GCGGQUZIKKIAAC-KRWDZBQOSA-N 1 0 283.346 3.559 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2c1cccc(F)c1 ZINC000071642243 176239184 /nfs/dbraw/zinc/23/91/84/176239184.db2.gz KJBMAYGQBXZYOK-KRWDZBQOSA-N 1 0 285.362 3.805 10 0 CHAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@H](c1ccc(C(C)C)cc1)C2 ZINC000072415307 176399874 /nfs/dbraw/zinc/39/98/74/176399874.db2.gz VTLNNIHHJQNJLP-LSDHHAIUSA-N 1 0 269.392 3.571 10 0 CHAERO CCCCc1ccc([C@H](C[NH3+])c2cccnc2)cc1 ZINC000076658311 177047143 /nfs/dbraw/zinc/04/71/43/177047143.db2.gz LNLGLCSVZYAZSY-KRWDZBQOSA-N 1 0 254.377 3.515 10 0 CHAERO [NH3+]CC[C@H](CCc1cccc(F)c1)c1cccs1 ZINC000076678399 177057050 /nfs/dbraw/zinc/05/70/50/177057050.db2.gz KKEZQANTVGJEOC-ZDUSSCGKSA-N 1 0 263.381 3.952 10 0 CHAERO Brc1ccc(CC[C@@H]2CCCCC[NH2+]2)cc1 ZINC000076727474 177071253 /nfs/dbraw/zinc/07/12/53/177071253.db2.gz IXJHVDBQUNLORE-AWEZNQCLSA-N 1 0 282.225 3.914 10 0 CHAERO Brc1cccc(CC[C@H]2CCCCC[NH2+]2)c1 ZINC000076727457 177071415 /nfs/dbraw/zinc/07/14/15/177071415.db2.gz ANLMHQKNPNQBER-CQSZACIVSA-N 1 0 282.225 3.914 10 0 CHAERO Cc1ccc(NC(=O)C[C@H](C[NH3+])CC(C)C)cc1Cl ZINC000076763273 177086369 /nfs/dbraw/zinc/08/63/69/177086369.db2.gz OQZWTJWMQAGETC-GFCCVEGCSA-N 1 0 282.815 3.598 10 0 CHAERO CC[NH2+]CCc1csc(-c2ccccc2Cl)n1 ZINC000076783228 177091428 /nfs/dbraw/zinc/09/14/28/177091428.db2.gz JWNRKBJVZLKPPN-UHFFFAOYSA-N 1 0 266.797 3.616 10 0 CHAERO CCC[NH2+][C@H](C)c1csc(COc2ccccc2)n1 ZINC000076784357 177091589 /nfs/dbraw/zinc/09/15/89/177091589.db2.gz HKWQPZNEBHSPOU-GFCCVEGCSA-N 1 0 276.405 3.783 10 0 CHAERO CC[NH2+][C@@H](C)c1csc(-c2c(F)cccc2F)n1 ZINC000076784495 177091877 /nfs/dbraw/zinc/09/18/77/177091877.db2.gz RRYKNIUDOPOKJY-QMMMGPOBSA-N 1 0 268.332 3.759 10 0 CHAERO [NH3+]C[C@H](Cc1ccccc1)c1ccccc1Br ZINC000076815467 177106881 /nfs/dbraw/zinc/10/68/81/177106881.db2.gz MSYJPVGFLDKSLR-ZDUSSCGKSA-N 1 0 290.204 3.734 10 0 CHAERO COCc1c2cc(C)cc(C)c2oc1C[NH2+]CC(C)C ZINC000077071102 177186975 /nfs/dbraw/zinc/18/69/75/177186975.db2.gz FBDUOCWETWKXLN-UHFFFAOYSA-N 1 0 275.392 3.942 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])c2c(C)oc(C)c2C)cc1 ZINC000077088661 177212435 /nfs/dbraw/zinc/21/24/35/177212435.db2.gz KDFNEZNDTPVIHS-MRXNPFEDSA-N 1 0 259.349 3.652 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCCc2occc21 ZINC000192910300 227381996 /nfs/dbraw/zinc/38/19/96/227381996.db2.gz APNIRTZUFKKHCJ-WMLDXEAASA-N 1 0 285.387 3.852 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCCc2occc21 ZINC000192910326 227382990 /nfs/dbraw/zinc/38/29/90/227382990.db2.gz APNIRTZUFKKHCJ-YOEHRIQHSA-N 1 0 285.387 3.852 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCSc2ccccc21 ZINC000037166848 260071935 /nfs/dbraw/zinc/07/19/35/260071935.db2.gz NNPWUKPMONCAKU-ZBFHGGJFSA-N 1 0 292.492 3.789 10 0 CHAERO Cc1ccc([C@H]([NH2+][C@H](C)CO)c2ccccc2Cl)cc1 ZINC000180208277 260095358 /nfs/dbraw/zinc/09/53/58/260095358.db2.gz QQRIALKWYCUFSI-DYVFJYSZSA-N 1 0 289.806 3.708 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000070280670 260155611 /nfs/dbraw/zinc/15/56/11/260155611.db2.gz UNYMQOWTUMAZKL-GDBMZVCRSA-N 1 0 280.843 3.721 10 0 CHAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312600401 260172815 /nfs/dbraw/zinc/17/28/15/260172815.db2.gz KRMCYHKYFKNQFQ-WCBMZHEXSA-N 1 0 294.247 3.696 10 0 CHAERO CCCn1ccc(C[NH2+]Cc2ccccc2COCC)c1 ZINC000091012271 260264658 /nfs/dbraw/zinc/26/46/58/260264658.db2.gz XCUMDVUYSVSKKZ-UHFFFAOYSA-N 1 0 286.419 3.724 10 0 CHAERO CCCn1ccc(C[NH2+]CCSc2ccccc2)c1 ZINC000091012578 260264796 /nfs/dbraw/zinc/26/47/96/260264796.db2.gz DJYWMOJJJNYJOW-UHFFFAOYSA-N 1 0 274.433 3.780 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000091009718 260264827 /nfs/dbraw/zinc/26/48/27/260264827.db2.gz LPTHRYKZEGLYFT-QGZVFWFLSA-N 1 0 254.377 3.675 10 0 CHAERO CCn1cccc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000091024998 260265052 /nfs/dbraw/zinc/26/50/52/260265052.db2.gz CQOXAQNBPBZBPS-HNNXBMFYSA-N 1 0 272.417 3.835 10 0 CHAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235622855 260291058 /nfs/dbraw/zinc/29/10/58/260291058.db2.gz UETPPFCNJRPDSA-CPCISQLKSA-N 1 0 274.589 3.601 10 0 CHAERO Cc1c(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)cnn1C ZINC000093649285 260297605 /nfs/dbraw/zinc/29/76/05/260297605.db2.gz NPEXIASKZMWNEC-VIFPVBQESA-N 1 0 298.217 3.886 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000126783508 260358063 /nfs/dbraw/zinc/35/80/63/260358063.db2.gz COCUVJUCJJNKQE-BODMPHMZSA-N 1 0 273.420 3.766 10 0 CHAERO Cc1cc(C)n(CCC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000130657232 260398716 /nfs/dbraw/zinc/39/87/16/260398716.db2.gz HUOIPIUBDMMTOC-CZUORRHYSA-N 1 0 277.456 3.694 10 0 CHAERO Cc1cnc(CC[N@@H+](C)Cc2ccc3ccccc3n2)s1 ZINC000157344411 261145119 /nfs/dbraw/zinc/14/51/19/261145119.db2.gz JMOPAFPGFKYRJT-UHFFFAOYSA-N 1 0 297.427 3.674 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc(Cl)c1 ZINC000300405800 261198314 /nfs/dbraw/zinc/19/83/14/261198314.db2.gz YJIGCPOZPJFVPR-CWRNSKLLSA-N 1 0 281.827 3.932 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000300420500 261200101 /nfs/dbraw/zinc/20/01/01/261200101.db2.gz LSZFAULWBHLFMO-DCAQKATOSA-N 1 0 276.302 3.755 10 0 CHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000106211221 261322580 /nfs/dbraw/zinc/32/25/80/261322580.db2.gz JETSJKQSRMANJQ-SFHVURJKSA-N 1 0 297.446 3.991 10 0 CHAERO Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664129 261339342 /nfs/dbraw/zinc/33/93/42/261339342.db2.gz VUYUOKLOCWPNQN-AEFFLSMTSA-N 1 0 295.430 3.855 10 0 CHAERO C[C@H]1C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000221294173 261793615 /nfs/dbraw/zinc/79/36/15/261793615.db2.gz IPVZURROHSVRQK-KSSFIOAISA-N 1 0 251.373 3.817 10 0 CHAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(F)F)cc2)cn1 ZINC000183936892 262000099 /nfs/dbraw/zinc/00/00/99/262000099.db2.gz BOEPPFIMVYKCJJ-HNNXBMFYSA-N 1 0 291.345 3.695 10 0 CHAERO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000184257665 262013965 /nfs/dbraw/zinc/01/39/65/262013965.db2.gz HFFRJPXIILXTMM-CZUORRHYSA-N 1 0 268.360 3.564 10 0 CHAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000184257711 262013976 /nfs/dbraw/zinc/01/39/76/262013976.db2.gz HFFRJPXIILXTMM-BBRMVZONSA-N 1 0 268.360 3.564 10 0 CHAERO Cc1cncc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000184257694 262014169 /nfs/dbraw/zinc/01/41/69/262014169.db2.gz HFFRJPXIILXTMM-CJNGLKHVSA-N 1 0 268.360 3.564 10 0 CHAERO CCSCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000310423825 262157056 /nfs/dbraw/zinc/15/70/56/262157056.db2.gz PGJVOPRUDIDRKY-UHFFFAOYSA-N 1 0 269.841 3.929 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000221721307 262292610 /nfs/dbraw/zinc/29/26/10/262292610.db2.gz OFTBBFGUTGVSDL-KEYYUXOJSA-N 1 0 272.436 3.525 10 0 CHAERO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000393442622 262360032 /nfs/dbraw/zinc/36/00/32/262360032.db2.gz XSTLKRBSODMDRQ-HUUCEWRRSA-N 1 0 269.473 3.980 10 0 CHAERO Cc1cccc([C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157478908 264389352 /nfs/dbraw/zinc/38/93/52/264389352.db2.gz HJLMKFYNAQFXEB-KKXDTOCCSA-N 1 0 266.388 3.790 10 0 CHAERO CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483084 266297405 /nfs/dbraw/zinc/29/74/05/266297405.db2.gz BDXLPMSTSKNNAL-GOSISDBHSA-N 1 0 299.418 3.924 10 0 CHAERO c1coc([C@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000116292648 267137043 /nfs/dbraw/zinc/13/70/43/267137043.db2.gz MIBLOUXPVAFBFD-QGZVFWFLSA-N 1 0 293.370 3.802 10 0 CHAERO CCCCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000117876220 267224499 /nfs/dbraw/zinc/22/44/99/267224499.db2.gz SPUNHQUMYCUUOH-CYBMUJFWSA-N 1 0 252.427 3.821 10 0 CHAERO c1ccc2c(c1)OC[C@H]2[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519947 327954952 /nfs/dbraw/zinc/95/49/52/327954952.db2.gz UFXAGURAWIUXEZ-QGZVFWFLSA-N 1 0 265.356 3.787 10 0 CHAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](CO)CC(C)C ZINC000040775721 328020234 /nfs/dbraw/zinc/02/02/34/328020234.db2.gz PLCUGKCHISNODW-KGLIPLIRSA-N 1 0 275.392 3.799 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)C(C)C ZINC000049126840 328341366 /nfs/dbraw/zinc/34/13/66/328341366.db2.gz NXOYQCSSNPRESZ-CHWSQXEVSA-N 1 0 259.397 3.659 10 0 CHAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)CC2CC2)c1 ZINC000070101302 328390629 /nfs/dbraw/zinc/39/06/29/328390629.db2.gz XUBOYQRTXDPQTJ-NWDGAFQWSA-N 1 0 263.381 3.543 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC(C)C)C12CCOCC2 ZINC000186195658 326829766 /nfs/dbraw/zinc/82/97/66/326829766.db2.gz HCNNIQOCEVIVQH-YESZJQIVSA-N 1 0 297.483 3.765 10 0 CHAERO COC(=O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000037300737 326844008 /nfs/dbraw/zinc/84/40/08/326844008.db2.gz KVTFKWQLGRXIJH-AWEZNQCLSA-N 1 0 283.371 3.567 10 0 CHAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036959790 326878283 /nfs/dbraw/zinc/87/82/83/326878283.db2.gz GZCRXJSIKXJXKA-KGLIPLIRSA-N 1 0 290.451 3.549 10 0 CHAERO C[C@H]1OCC[C@H]1[NH2+]Cc1sc2ccccc2c1Cl ZINC000149389859 327109033 /nfs/dbraw/zinc/10/90/33/327109033.db2.gz VSMGTHHIPGJDTF-MWLCHTKSSA-N 1 0 281.808 3.822 10 0 CHAERO CC[C@@H](C)[C@H](C)[NH2+]CCCc1nc2ccccc2n1C ZINC000090050551 327176465 /nfs/dbraw/zinc/17/64/65/327176465.db2.gz QNEVUMBFCPKVIM-KGLIPLIRSA-N 1 0 273.424 3.530 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)[C@H]1CCCOC1 ZINC000389124107 328622723 /nfs/dbraw/zinc/62/27/23/328622723.db2.gz VRHRGSXEFNMQFS-QILLFSRXSA-N 1 0 273.420 3.859 10 0 CHAERO CCC[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000300411241 332814383 /nfs/dbraw/zinc/81/43/83/332814383.db2.gz LZZBWFAHUGOMOD-OAGGEKHMSA-N 1 0 269.473 3.980 10 0 CHAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)c1 ZINC000300412427 332814507 /nfs/dbraw/zinc/81/45/07/332814507.db2.gz SZGUIRSJHBPILZ-YQQAZPJKSA-N 1 0 261.409 3.505 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000300414618 332814884 /nfs/dbraw/zinc/81/48/84/332814884.db2.gz NHEJTJQMUQHPRQ-MPKXVKKWSA-N 1 0 251.345 3.674 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CCC2(C)C)CCO1 ZINC000300417484 332815144 /nfs/dbraw/zinc/81/51/44/332815144.db2.gz WQOJLVVWQIHBBP-UNEWFSDZSA-N 1 0 273.420 3.857 10 0 CHAERO Cc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1Cl ZINC000193851801 329062023 /nfs/dbraw/zinc/06/20/23/329062023.db2.gz SHBGTKSGDKWSIZ-UHFFFAOYSA-N 1 0 289.810 3.751 10 0 CHAERO CCCCCC[C@@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000173474094 329147126 /nfs/dbraw/zinc/14/71/26/329147126.db2.gz NJRKUGGGTYHLMM-MRXNPFEDSA-N 1 0 294.483 3.680 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2c3ccccc3NC2=O)c1 ZINC000173818166 329152649 /nfs/dbraw/zinc/15/26/49/329152649.db2.gz FSBBTDRPZJOCPU-RHSMWYFYSA-N 1 0 294.398 3.772 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178544006 329198261 /nfs/dbraw/zinc/19/82/61/329198261.db2.gz XPYDLJNCGHJCSA-MRXNPFEDSA-N 1 0 295.386 3.602 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1nc(-c2ccccc2)cs1 ZINC000178685235 329202120 /nfs/dbraw/zinc/20/21/20/329202120.db2.gz WCTVMPVGQWETLH-GMXVVIOVSA-N 1 0 258.390 3.869 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC000180120917 329211773 /nfs/dbraw/zinc/21/17/73/329211773.db2.gz FAMZFDGCKRLFRK-KRWDZBQOSA-N 1 0 275.440 3.626 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1ccco1 ZINC000180014349 329214656 /nfs/dbraw/zinc/21/46/56/329214656.db2.gz CMAUVZHQZWLLRA-KGLIPLIRSA-N 1 0 270.376 3.554 10 0 CHAERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cccs1 ZINC000180397086 329215796 /nfs/dbraw/zinc/21/57/96/329215796.db2.gz HPWZMNNXGDAPND-WCQYABFASA-N 1 0 286.400 3.525 10 0 CHAERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1 ZINC000180885198 329223696 /nfs/dbraw/zinc/22/36/96/329223696.db2.gz NHGXFHRILDZQDT-LRDDRELGSA-N 1 0 298.361 3.602 10 0 CHAERO CC(C)(C)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181123147 329226603 /nfs/dbraw/zinc/22/66/03/329226603.db2.gz CQNMJYHJSHCZFX-UHFFFAOYSA-N 1 0 289.345 3.585 10 0 CHAERO CCO[C@H]1C[C@@H]([NH2+]C2CCC(CC)CC2)C12CCOCC2 ZINC000186259704 329341020 /nfs/dbraw/zinc/34/10/20/329341020.db2.gz OMGRUHQDJFNFAR-BACDZXNISA-N 1 0 295.467 3.519 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCSCC2)o1 ZINC000186934399 329350565 /nfs/dbraw/zinc/35/05/65/329350565.db2.gz GQOOCQMNDJNAKZ-RYUDHWBXSA-N 1 0 253.411 3.770 10 0 CHAERO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)c(C)n1 ZINC000187047679 329351999 /nfs/dbraw/zinc/35/19/99/329351999.db2.gz OZJBFGRGCFFISC-HNNXBMFYSA-N 1 0 256.349 3.629 10 0 CHAERO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000187439406 329357650 /nfs/dbraw/zinc/35/76/50/329357650.db2.gz PFQJEJQEFHGVNG-DNVCBOLYSA-N 1 0 298.430 3.806 10 0 CHAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl ZINC000063191645 329373869 /nfs/dbraw/zinc/37/38/69/329373869.db2.gz UHYFEOSQANFZOV-QMTHXVAHSA-N 1 0 287.234 3.695 10 0 CHAERO CCn1c(C)nnc1C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000190319082 329394688 /nfs/dbraw/zinc/39/46/88/329394688.db2.gz HTMNHMGTJINQFE-UHFFFAOYSA-N 1 0 290.455 3.543 10 0 CHAERO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccncc3)C2)cc1 ZINC000245542897 329706170 /nfs/dbraw/zinc/70/61/70/329706170.db2.gz QHBHQHGLPMVQFH-SJLPKXTDSA-N 1 0 295.430 3.710 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccs1 ZINC000245658468 329720875 /nfs/dbraw/zinc/72/08/75/329720875.db2.gz GIYXELDUFCIGTH-DDHJSBNISA-N 1 0 277.433 3.746 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000421373752 329816070 /nfs/dbraw/zinc/81/60/70/329816070.db2.gz CFKPTRGSOKENNN-MIFYACCESA-N 1 0 273.420 3.857 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000247112924 329879522 /nfs/dbraw/zinc/87/95/22/329879522.db2.gz PGCPOZHNKKNWCE-SVGFKBNWSA-N 1 0 259.393 3.603 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000248779376 329899185 /nfs/dbraw/zinc/89/91/85/329899185.db2.gz HVIKEODIDOWGFN-JLJPHGGASA-N 1 0 259.393 3.603 10 0 CHAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000087012268 329949672 /nfs/dbraw/zinc/94/96/72/329949672.db2.gz ROBASHUNJCVAJF-AMIZOPFISA-N 1 0 294.197 3.944 10 0 CHAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1cccc2ccccc21 ZINC000396726239 330223811 /nfs/dbraw/zinc/22/38/11/330223811.db2.gz UHZGNTAFIUMKCX-SUNYJGFJSA-N 1 0 268.404 3.631 10 0 CHAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cccc2ccccc21 ZINC000396726238 330223859 /nfs/dbraw/zinc/22/38/59/330223859.db2.gz UHZGNTAFIUMKCX-PMUMKWKESA-N 1 0 268.404 3.631 10 0 CHAERO CC1(C)[C@H]([NH2+]CC(C2CCC2)C2CCC2)[C@H]2CCO[C@@H]21 ZINC000527927067 330296780 /nfs/dbraw/zinc/29/67/80/330296780.db2.gz RDKGYULBBWDESB-OIISXLGYSA-N 1 0 277.452 3.606 10 0 CHAERO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000036920878 330313879 /nfs/dbraw/zinc/31/38/79/330313879.db2.gz LQDWLESWAAAMLS-JKSUJKDBSA-N 1 0 277.456 3.731 10 0 CHAERO COCCC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000105689693 330327920 /nfs/dbraw/zinc/32/79/20/330327920.db2.gz MFUHLLNTKHIMGB-SFHVURJKSA-N 1 0 269.388 3.711 10 0 CHAERO [NH3+]CCc1c2cccc(C(F)(F)F)c2[nH]c1C(F)(F)F ZINC000536960871 330384294 /nfs/dbraw/zinc/38/42/94/330384294.db2.gz SGMHOTNEHISTKO-UHFFFAOYSA-N 1 0 296.214 3.707 10 0 CHAERO CC[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1nccs1 ZINC000090976811 330397331 /nfs/dbraw/zinc/39/73/31/330397331.db2.gz CCOLJFQGVYCNLJ-OCCSQVGLSA-N 1 0 258.390 3.524 10 0 CHAERO CCn1cccc1C[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000091127853 330398852 /nfs/dbraw/zinc/39/88/52/330398852.db2.gz NACFIMVCUARAFT-GFCCVEGCSA-N 1 0 262.422 3.599 10 0 CHAERO CC[C@@H](C)C[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000122418732 330421564 /nfs/dbraw/zinc/42/15/64/330421564.db2.gz BRXYXHUUBGJBRM-GFCCVEGCSA-N 1 0 265.401 3.598 10 0 CHAERO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)c1cnn(C)c1 ZINC000312307660 330462599 /nfs/dbraw/zinc/46/25/99/330462599.db2.gz YJINFIXKQYXWAQ-XOMBGVMMSA-N 1 0 289.810 3.670 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1F)CC2 ZINC000163948772 331141607 /nfs/dbraw/zinc/14/16/07/331141607.db2.gz WQJUWBWUKRXMEN-CJNGLKHVSA-N 1 0 297.801 3.606 10 0 CHAERO C[C@H]1CC(C[NH2+]C2CCC(C)(C)CC2)C[C@H](C)O1 ZINC000466423451 331396399 /nfs/dbraw/zinc/39/63/99/331396399.db2.gz DGMGZAMLQWJJAY-STQMWFEESA-N 1 0 253.430 3.748 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2ccccc2Cl)C[C@H](C)O1 ZINC000466424906 331396533 /nfs/dbraw/zinc/39/65/33/331396533.db2.gz JWPZZCZHAORNOF-RYUDHWBXSA-N 1 0 267.800 3.633 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2cc(Cl)ccc2F)C[C@@H](C)O1 ZINC000466425362 331396578 /nfs/dbraw/zinc/39/65/78/331396578.db2.gz JZRSOUJYRMIMMI-GHMZBOCLSA-N 1 0 285.790 3.772 10 0 CHAERO COC[C@@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C(C)C ZINC000086694927 332934854 /nfs/dbraw/zinc/93/48/54/332934854.db2.gz VKLAKVUFILFYNC-AVVWSFFYSA-N 1 0 281.827 3.847 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCOC1CCOCC1 ZINC000090083415 334357008 /nfs/dbraw/zinc/35/70/08/334357008.db2.gz AFLUYLCJRRPPGE-IAGOWNOFSA-N 1 0 297.483 3.767 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc21 ZINC000178331749 333071129 /nfs/dbraw/zinc/07/11/29/333071129.db2.gz UCSOVEJYWLKGAN-IEBWSBKVSA-N 1 0 295.430 3.734 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000311901565 333074211 /nfs/dbraw/zinc/07/42/11/333074211.db2.gz YFSVWBGZTMFSLP-BRWVUGGUSA-N 1 0 265.441 3.582 10 0 CHAERO CCCCCc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000087531365 333084237 /nfs/dbraw/zinc/08/42/37/333084237.db2.gz CGKURIJNTMOLPV-INIZCTEOSA-N 1 0 276.424 3.589 10 0 CHAERO COc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000088254598 333087420 /nfs/dbraw/zinc/08/74/20/333087420.db2.gz IRLBUIRIHXBHRR-ZDUSSCGKSA-N 1 0 273.351 3.994 10 0 CHAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000219028151 333140375 /nfs/dbraw/zinc/14/03/75/333140375.db2.gz JYEQPHYIBQIGDC-SMDDNHRTSA-N 1 0 288.218 3.634 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222434296 333193474 /nfs/dbraw/zinc/19/34/74/333193474.db2.gz VEFLYWQVGQVIEI-HZSPNIEDSA-N 1 0 294.405 3.673 10 0 CHAERO c1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227873343 333289641 /nfs/dbraw/zinc/28/96/41/333289641.db2.gz AKWFMKJVWAIDBQ-YCPHGPKFSA-N 1 0 257.377 3.679 10 0 CHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCOCC(F)F ZINC000230417054 333318499 /nfs/dbraw/zinc/31/84/99/333318499.db2.gz WXTJIEMHLYYENY-HNNXBMFYSA-N 1 0 283.362 3.571 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000231673217 333327516 /nfs/dbraw/zinc/32/75/16/333327516.db2.gz IDNLKWQSGUVQJD-DGCLKSJQSA-N 1 0 283.799 3.635 10 0 CHAERO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000237483570 333379772 /nfs/dbraw/zinc/37/97/72/333379772.db2.gz VOCXIZCJGZQYKK-OAHLLOKOSA-N 1 0 297.398 3.925 10 0 CHAERO CCCOc1ccc(C[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000037166572 333506844 /nfs/dbraw/zinc/50/68/44/333506844.db2.gz NUWFUWSJCGACEL-KRWDZBQOSA-N 1 0 292.467 3.541 10 0 CHAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000124255635 333556683 /nfs/dbraw/zinc/55/66/83/333556683.db2.gz SZWGJTQAOFNUBQ-WRWORJQWSA-N 1 0 274.589 3.601 10 0 CHAERO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000126507701 333598904 /nfs/dbraw/zinc/59/89/04/333598904.db2.gz GDZOBPOYFDDBSM-TZMCWYRMSA-N 1 0 277.433 3.959 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069381468 333759932 /nfs/dbraw/zinc/75/99/32/333759932.db2.gz VEFLYWQVGQVIEI-MELADBBJSA-N 1 0 294.405 3.673 10 0 CHAERO Cc1cc(C[NH3+])ccc1-c1ccc(OC2CC2)cc1 ZINC000230000918 333797080 /nfs/dbraw/zinc/79/70/80/333797080.db2.gz ANMKDLYVJAYXKA-UHFFFAOYSA-N 1 0 253.345 3.662 10 0 CHAERO [NH3+][C@@H]1CCc2c1cccc2-c1ccc(OC2CC2)cc1 ZINC000236292223 334048396 /nfs/dbraw/zinc/04/83/96/334048396.db2.gz IHVPTFKARNPCIA-GOSISDBHSA-N 1 0 265.356 3.841 10 0 CHAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000135144517 334117567 /nfs/dbraw/zinc/11/75/67/334117567.db2.gz ZLNZIIFUROXOSS-JSGCOSHPSA-N 1 0 285.362 3.825 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2cccs2)N(C)C)C1 ZINC000080428565 334171321 /nfs/dbraw/zinc/17/13/21/334171321.db2.gz YTPRATPLXXRGFP-MCIONIFRSA-N 1 0 266.454 3.519 10 0 CHAERO CC[C@H]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)C1 ZINC000080429146 334171469 /nfs/dbraw/zinc/17/14/69/334171469.db2.gz PSFZYWFXIDBBQK-RDJZCZTQSA-N 1 0 272.436 3.608 10 0 CHAERO CC[C@@H]1CC[C@@H](Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000080453037 334171671 /nfs/dbraw/zinc/17/16/71/334171671.db2.gz ZEEDCEQUQHQMOS-GDBMZVCRSA-N 1 0 276.424 3.618 10 0 CHAERO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245946161 334225068 /nfs/dbraw/zinc/22/50/68/334225068.db2.gz WSGXRPJCVHNCDK-WFASDCNBSA-N 1 0 298.352 3.546 10 0 CHAERO Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c2ccccc2n1 ZINC000246465117 334259042 /nfs/dbraw/zinc/25/90/42/334259042.db2.gz ZCRPDMRDFQKDGN-MOPGFXCFSA-N 1 0 296.414 3.687 10 0 CHAERO C[C@H](c1ccccc1F)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247998125 334293160 /nfs/dbraw/zinc/29/31/60/334293160.db2.gz KBEBOAQRMLWNKB-JKIFEVAISA-N 1 0 277.383 3.514 10 0 CHAERO CCc1csc([C@H]2CCC[N@@H+]([C@H](C)CC)C2)n1 ZINC000248376101 334299333 /nfs/dbraw/zinc/29/93/33/334299333.db2.gz ZIDKAEJQXYTBHG-NEPJUHHUSA-N 1 0 252.427 3.683 10 0 CHAERO Cc1csc([C@@H]2C[N@H+](C[C@@H]3CCCC[C@H]3C)CCO2)n1 ZINC000248508767 334304526 /nfs/dbraw/zinc/30/45/26/334304526.db2.gz YIWAOTUUDZWWFI-SNPRPXQTSA-N 1 0 294.464 3.651 10 0 CHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248646600 334310632 /nfs/dbraw/zinc/31/06/32/334310632.db2.gz RWFUUIZLWWWNJU-LUKYLMHMSA-N 1 0 297.483 3.765 10 0 CHAERO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000249093545 334327442 /nfs/dbraw/zinc/32/74/42/334327442.db2.gz NYTAMOHMUCQGHC-UAGQMJEPSA-N 1 0 273.424 3.549 10 0 CHAERO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCCC[C@H]3O)ccc2c1 ZINC000249726063 334339491 /nfs/dbraw/zinc/33/94/91/334339491.db2.gz OBCFDECGYHDUNV-FASAQXTFSA-N 1 0 299.414 3.803 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000249726772 334339567 /nfs/dbraw/zinc/33/95/67/334339567.db2.gz VWWJSKJUSXZCTK-RRQGHBQHSA-N 1 0 261.409 3.593 10 0 CHAERO CCCNC(=O)CC[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000091304358 334375741 /nfs/dbraw/zinc/37/57/41/334375741.db2.gz QFWBAVLWGAOTJA-INIZCTEOSA-N 1 0 296.842 3.543 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000252432270 334379737 /nfs/dbraw/zinc/37/97/37/334379737.db2.gz ZAEOJAYOBWJASL-FPCVCCKLSA-N 1 0 253.430 3.606 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)c1C ZINC000252696178 334385616 /nfs/dbraw/zinc/38/56/16/334385616.db2.gz MZFOEFQPJRTYFB-ZOBUZTSGSA-N 1 0 261.409 3.505 10 0 CHAERO COc1ccncc1C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000556215337 334500601 /nfs/dbraw/zinc/50/06/01/334500601.db2.gz NOOWZWMXKYPTCX-CWRNSKLLSA-N 1 0 276.424 3.641 10 0 CHAERO COCc1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)o1 ZINC000268801242 334716651 /nfs/dbraw/zinc/71/66/51/334716651.db2.gz PZQSAIIPAKPVBA-UHFFFAOYSA-N 1 0 291.313 3.637 10 0 CHAERO C[C@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c2ccsc2S1 ZINC000268869355 334717805 /nfs/dbraw/zinc/71/78/05/334717805.db2.gz IISWCORYOCJJDC-ZMLRMANQSA-N 1 0 285.478 3.670 10 0 CHAERO CC(C)c1nsc(N[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000312982931 334757197 /nfs/dbraw/zinc/75/71/97/334757197.db2.gz WTUVKSITHSJUCX-CYBMUJFWSA-N 1 0 290.436 3.554 10 0 CHAERO CC(C)CC[C@H]([NH2+]Cc1nnc(C(C)C)n1C)C(C)(C)C ZINC000179902135 335530762 /nfs/dbraw/zinc/53/07/62/335530762.db2.gz RKWURBPXZJOWRB-AWEZNQCLSA-N 1 0 294.487 3.879 10 0 CHAERO CCN1CC[C@@H]([NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000381081567 336049397 /nfs/dbraw/zinc/04/93/97/336049397.db2.gz UUZKENAJTUVPEK-GDBMZVCRSA-N 1 0 278.465 3.663 10 0 CHAERO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1C[C@@H]1C)CC2 ZINC000381509575 336066956 /nfs/dbraw/zinc/06/69/56/336066956.db2.gz QSRVQDNXKNTEEM-ZEGGKSINSA-N 1 0 280.209 3.743 10 0 CHAERO C[C@@H](CCCC[NH3+])Nc1ccnc2cc(Cl)ccc21 ZINC000382007815 336079894 /nfs/dbraw/zinc/07/98/94/336079894.db2.gz MJZKNGZCEFXXPL-NSHDSACASA-N 1 0 277.799 3.818 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCSC2)CC(C)(C)C1 ZINC000384109009 336122056 /nfs/dbraw/zinc/12/20/56/336122056.db2.gz GXFFOTAQSLRUDM-HZSPNIEDSA-N 1 0 255.471 3.934 10 0 CHAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000385914047 336161301 /nfs/dbraw/zinc/16/13/01/336161301.db2.gz IGEHLMDJCWUBBZ-YQPCPPDFSA-N 1 0 259.393 3.707 10 0 CHAERO CC(C)(C)CC(C)(C)n1c(N)[nH+]c2ccc(F)cc21 ZINC000052123123 518631580 /nfs/dbraw/zinc/63/15/80/518631580.db2.gz CXVIKPCDSJKJHV-UHFFFAOYSA-N 1 0 263.360 3.929 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cc(F)cc(F)c2)nc1C ZINC000052330627 519972538 /nfs/dbraw/zinc/97/25/38/519972538.db2.gz ICQIRHUVRHNNMX-UHFFFAOYSA-N 1 0 282.359 3.896 10 0 CHAERO CC[NH2+][C@@H](Cc1csc(C)n1)c1ccc(F)cc1C ZINC000055295594 520105833 /nfs/dbraw/zinc/10/58/33/520105833.db2.gz ACMMJGKAQRWQOP-HNNXBMFYSA-N 1 0 278.396 3.792 10 0 CHAERO CC[NH2+][C@@H](Cc1ccsc1)c1ccc(OC)c(F)c1 ZINC000061669169 520105896 /nfs/dbraw/zinc/10/58/96/520105896.db2.gz WQPNCTDIYASUFY-AWEZNQCLSA-N 1 0 279.380 3.789 10 0 CHAERO CC[NH2+][C@H](C)c1cnc(N(C)[C@@H](C)CC(C)C)s1 ZINC000054908919 520182028 /nfs/dbraw/zinc/18/20/28/520182028.db2.gz FLMJUPSLXSTCQL-NWDGAFQWSA-N 1 0 269.458 3.684 10 0 CHAERO CC[NH2+][C@H](C)c1sc(N(C)[C@@H](C)C(C)C)nc1C ZINC000054904389 520183955 /nfs/dbraw/zinc/18/39/55/520183955.db2.gz QNTOECACUKPXDZ-PWSUYJOCSA-N 1 0 269.458 3.603 10 0 CHAERO CCCC[C@H](CC)C[C@@]1(C[NH2+]C(C)C)CCOC1 ZINC000054665031 521181455 /nfs/dbraw/zinc/18/14/55/521181455.db2.gz UQVCJSRFYPHXKC-JKSUJKDBSA-N 1 0 255.446 3.998 10 0 CHAERO C[NH2+]Cc1sc(N(C)c2ccc(C)cc2C)nc1C ZINC000055000518 522166853 /nfs/dbraw/zinc/16/68/53/522166853.db2.gz LTYNFHMKUIODGY-UHFFFAOYSA-N 1 0 275.421 3.556 10 0 CHAERO CC(C)(C)C1CC[NH+]([C@H]2CCCCCC[C@H]2O)CC1 ZINC000050348063 518609513 /nfs/dbraw/zinc/60/95/13/518609513.db2.gz BOWUUMDNUMKKIT-JKSUJKDBSA-N 1 0 267.457 3.828 10 0 CHAERO CC(C)(C)[NH2+]CCCc1cc(Br)ccc1F ZINC000052949466 518755609 /nfs/dbraw/zinc/75/56/09/518755609.db2.gz GJOPWFXPNGBTMT-UHFFFAOYSA-N 1 0 288.204 3.909 10 0 CHAERO CC(C)(C)[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000053010160 518762879 /nfs/dbraw/zinc/76/28/79/518762879.db2.gz ROPBCYCLRYMUFV-GFCCVEGCSA-N 1 0 266.816 3.554 10 0 CHAERO CC(C)(C)[C@@H]1CCc2nc(C[C@@H]3CCC[NH2+]3)sc2C1 ZINC000053252765 518945546 /nfs/dbraw/zinc/94/55/46/518945546.db2.gz WJAPUEOLJAARDA-NEPJUHHUSA-N 1 0 278.465 3.589 10 0 CHAERO CC(C)(C)[C@@H]1CCc2nc([C@H]3CCC[NH2+]C3)sc2C1 ZINC000053252230 518946991 /nfs/dbraw/zinc/94/69/91/518946991.db2.gz MCOGHROIHSHQLP-NWDGAFQWSA-N 1 0 278.465 3.761 10 0 CHAERO CC(C)(C)[C@@H]1[NH2+]CCc2ccc(OC(F)(F)F)cc21 ZINC000052095714 518950344 /nfs/dbraw/zinc/95/03/44/518950344.db2.gz UXHCPXIYWPMDAJ-GFCCVEGCSA-N 1 0 273.298 3.818 10 0 CHAERO Cc1ccsc1[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000035081724 519104184 /nfs/dbraw/zinc/10/41/84/519104184.db2.gz PWGBWQPPVZCKGM-AWEZNQCLSA-N 1 0 261.390 3.892 10 0 CHAERO CC(C)C[C@H]1C[N@H+](C2CCCC2)[C@H](c2ccccc2)CN1 ZINC000062673062 519415178 /nfs/dbraw/zinc/41/51/78/519415178.db2.gz SCUDYBPWCKUOCS-HKUYNNGSSA-N 1 0 286.463 3.990 10 0 CHAERO CC(C)C[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccccc1F ZINC000062707744 519415314 /nfs/dbraw/zinc/41/53/14/519415314.db2.gz IAAYVUKUFMEHJN-FUHWJXTLSA-N 1 0 292.442 3.670 10 0 CHAERO CC(C)C[C@H]1CSC(N[C@@H](C)Cc2ccsc2)=[NH+]1 ZINC000049185359 519417511 /nfs/dbraw/zinc/41/75/11/519417511.db2.gz YKWPSMZZKPBQAI-AAEUAGOBSA-N 1 0 282.478 3.786 10 0 CHAERO CC(C)[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062671217 519698011 /nfs/dbraw/zinc/69/80/11/519698011.db2.gz NPMJBVQAEFZYPU-RTBURBONSA-N 1 0 280.415 3.783 10 0 CHAERO CC(C)CN(c1ncc(C[NH2+]C(C)(C)C)s1)C1CC1 ZINC000054907511 519719098 /nfs/dbraw/zinc/71/90/98/519719098.db2.gz NPIAOPAEKUIJLD-UHFFFAOYSA-N 1 0 281.469 3.656 10 0 CHAERO CC(C)[NH2+]CCCCO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629128 519720537 /nfs/dbraw/zinc/72/05/37/519720537.db2.gz NKODOIKQCRJVNM-GJZGRUSLSA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1 ZINC000053011570 519723383 /nfs/dbraw/zinc/72/33/83/519723383.db2.gz BHAOWBINFMVJQE-LBPRGKRZSA-N 1 0 286.341 3.530 10 0 CHAERO CC(C)[NH2+]C[C@H](C(C)C)N(C)Cc1ccccc1Cl ZINC000052371876 519724336 /nfs/dbraw/zinc/72/43/36/519724336.db2.gz ASUOUCZRTWDYFC-MRXNPFEDSA-N 1 0 282.859 3.794 10 0 CHAERO CC(C)C[NH2+]CCCCCO[C@H]1CCCC[C@@H]1C ZINC000052620974 519743188 /nfs/dbraw/zinc/74/31/88/519743188.db2.gz GSGGUKNOPOEHPR-HOTGVXAUSA-N 1 0 255.446 3.998 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054597687 519745409 /nfs/dbraw/zinc/74/54/09/519745409.db2.gz DIJGSIPPFFTXPG-GXTWGEPZSA-N 1 0 269.335 3.637 10 0 CHAERO CC(C)C[NH2+]C[C@H](Oc1ccc(F)c(F)c1)C(C)C ZINC000052700267 519746184 /nfs/dbraw/zinc/74/61/84/519746184.db2.gz AAOFZTGADFRITG-HNNXBMFYSA-N 1 0 271.351 3.614 10 0 CHAERO CC(C)[C@H](C)[N@H+](C)C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054559027 519811801 /nfs/dbraw/zinc/81/18/01/519811801.db2.gz KNPYPTMNQIPLOR-RRFJBIMHSA-N 1 0 253.430 3.604 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000049195602 519814757 /nfs/dbraw/zinc/81/47/57/519814757.db2.gz CBLWCSKXTABELY-WFASDCNBSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049556104 519821512 /nfs/dbraw/zinc/82/15/12/519821512.db2.gz XGADWQQMNKMLTC-YDHLFZDLSA-N 1 0 267.438 3.728 10 0 CHAERO CCC[NH2+]C1CCN([C@H](C)c2ccc(C)s2)CC1 ZINC000049183939 519906837 /nfs/dbraw/zinc/90/68/37/519906837.db2.gz QBJXIARPJUPPMZ-CYBMUJFWSA-N 1 0 266.454 3.582 10 0 CHAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(C)cc1Cl ZINC000054627838 519911272 /nfs/dbraw/zinc/91/12/72/519911272.db2.gz OEKKGWVLSNPJBO-AGUYFDCRSA-N 1 0 278.827 3.758 10 0 CHAERO CCC[NH2+]C[C@@H]1CCN(c2ccc(C(C)C)cc2)C1 ZINC000053010767 519922533 /nfs/dbraw/zinc/92/25/33/519922533.db2.gz AMROTADZXSHPLA-HNNXBMFYSA-N 1 0 260.425 3.636 10 0 CHAERO CCC[NH2+]C[C@H](OCC(F)(F)F)c1cccc(Cl)c1 ZINC000050502290 519932830 /nfs/dbraw/zinc/93/28/30/519932830.db2.gz DMFKOGBIBYCTIR-LBPRGKRZSA-N 1 0 295.732 3.960 10 0 CHAERO CCC[NH2+]C[C@H](CC)Oc1ccccc1OCCC ZINC000052649852 519933281 /nfs/dbraw/zinc/93/32/81/519933281.db2.gz RVNQMYHCTQIDLJ-AWEZNQCLSA-N 1 0 265.397 3.632 10 0 CHAERO CC[NH2+]C[C@H](Oc1ccc(C)cc1)c1ccccc1 ZINC000052649729 519975486 /nfs/dbraw/zinc/97/54/86/519975486.db2.gz DWOMKLJMABIEIJ-KRWDZBQOSA-N 1 0 255.361 3.725 10 0 CHAERO CCC[NH2+][C@@H](C)c1sc(N2CCC[C@@H]2C)nc1C ZINC000054898975 519990234 /nfs/dbraw/zinc/99/02/34/519990234.db2.gz LMSOKPBWCRMGBE-QWRGUYRKSA-N 1 0 267.442 3.501 10 0 CHAERO CCC[NH2+][C@@H](C)c1sc(N2CCC[C@@H]2CC)nc1C ZINC000054898882 519991522 /nfs/dbraw/zinc/99/15/22/519991522.db2.gz LXVNCVCXXUIMQW-AAEUAGOBSA-N 1 0 281.469 3.891 10 0 CHAERO CC[NH2+]Cc1cc(F)ccc1N1CCC[C@H](C)[C@@H]1C ZINC000050566061 519992600 /nfs/dbraw/zinc/99/26/00/519992600.db2.gz KJFZBOQUUPCXDM-STQMWFEESA-N 1 0 264.388 3.560 10 0 CHAERO CCC[NH2+][C@@H](CSC)Cc1cc(C)cc(C)c1 ZINC000054496870 520012280 /nfs/dbraw/zinc/01/22/80/520012280.db2.gz QRJYLFFQHYZXFU-OAHLLOKOSA-N 1 0 251.439 3.577 10 0 CHAERO CC[NH2+]Cc1cnc(C2(c3ccccc3)CCC2)s1 ZINC000062781990 520015470 /nfs/dbraw/zinc/01/54/70/520015470.db2.gz YXLDDABDIRTNIJ-UHFFFAOYSA-N 1 0 272.417 3.723 10 0 CHAERO CCC[NH2+][C@@H]1CCCc2nc(N(CC)C(C)C)sc21 ZINC000054902448 520022083 /nfs/dbraw/zinc/02/20/83/520022083.db2.gz FHYPEYIRMFHIPV-GFCCVEGCSA-N 1 0 281.469 3.755 10 0 CHAERO CC[NH2+]Cc1sc(Cc2ccc(Cl)cc2)nc1C ZINC000052330265 520033281 /nfs/dbraw/zinc/03/32/81/520033281.db2.gz RRBVWBYRQKOXPU-UHFFFAOYSA-N 1 0 280.824 3.805 10 0 CHAERO CCC[NH2+][C@H](CC1CC1)c1ccc(OC)cc1OC ZINC000049730206 520070216 /nfs/dbraw/zinc/07/02/16/520070216.db2.gz RZALICMNSPBZIY-OAHLLOKOSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000061698695 520076713 /nfs/dbraw/zinc/07/67/13/520076713.db2.gz UWDURNPWTSIPAZ-QMMMGPOBSA-N 1 0 281.705 3.952 10 0 CHAERO CC[NH2+][C@@H](C)c1cnc(N(C)[C@@H](C)CC(C)C)s1 ZINC000054908918 520079996 /nfs/dbraw/zinc/07/99/96/520079996.db2.gz FLMJUPSLXSTCQL-RYUDHWBXSA-N 1 0 269.458 3.684 10 0 CHAERO CCC[NH2+][C@H]1CCN(c2ccccc2Cl)[C@H](C)C1 ZINC000049712286 520096678 /nfs/dbraw/zinc/09/66/78/520096678.db2.gz ZPTGQKVLFJQAIE-OLZOCXBDSA-N 1 0 266.816 3.697 10 0 CHAERO CC[NH2+][C@@H](Cc1cccs1)Cc1ccccc1C ZINC000052900633 520106037 /nfs/dbraw/zinc/10/60/37/520106037.db2.gz RJYHHVNCRKICNI-OAHLLOKOSA-N 1 0 259.418 3.820 10 0 CHAERO CC[NH2+][C@@H]1CCCCc2c(Cl)cc(OC)c(OC)c21 ZINC000054741984 520119390 /nfs/dbraw/zinc/11/93/90/520119390.db2.gz YVBSDDDGEKSQFT-GFCCVEGCSA-N 1 0 283.799 3.734 10 0 CHAERO CCCCCC[C@@H](C)O[C@H](C)C[NH2+]CCCOCC ZINC000053569423 520120432 /nfs/dbraw/zinc/12/04/32/520120432.db2.gz JHIFZZOHSBOBAK-HZPDHXFCSA-N 1 0 273.461 3.767 10 0 CHAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CCOC(C)C ZINC000054630935 520121257 /nfs/dbraw/zinc/12/12/57/520121257.db2.gz MHTGZVZDJGKYGI-OWCLPIDISA-N 1 0 255.446 3.852 10 0 CHAERO CCCCCCn1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000054717550 520138428 /nfs/dbraw/zinc/13/84/28/520138428.db2.gz GJBLBVBLOHGWPQ-UHFFFAOYSA-N 1 0 265.445 3.826 10 0 CHAERO CC[NH2+][C@H](C)[C@H](CCCOCC(F)(F)F)C(C)C ZINC000061687072 520176446 /nfs/dbraw/zinc/17/64/46/520176446.db2.gz DQCLZZCIMGOEHQ-VXGBXAGGSA-N 1 0 269.351 3.616 10 0 CHAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)[C@@H]1CCCCO1 ZINC000050962090 520206423 /nfs/dbraw/zinc/20/64/23/520206423.db2.gz HGGBYAMFARPWFE-RDJZCZTQSA-N 1 0 261.409 3.832 10 0 CHAERO CC[NH2+][C@H]1CCC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703830 520215962 /nfs/dbraw/zinc/21/59/62/520215962.db2.gz SRPVKKDFWQJMCY-OLZOCXBDSA-N 1 0 273.298 3.831 10 0 CHAERO CCNc1ccc(Cl)c(C[N@H+](CC)CC(C)C)n1 ZINC000061630953 520309019 /nfs/dbraw/zinc/30/90/19/520309019.db2.gz LYJHABKQKQHIAW-UHFFFAOYSA-N 1 0 269.820 3.645 10 0 CHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1ccccn1 ZINC000126153160 520416724 /nfs/dbraw/zinc/41/67/24/520416724.db2.gz XZLMBVOKRFWJSF-QGZVFWFLSA-N 1 0 266.388 3.885 10 0 CHAERO CC1(C)C[N@@H+](C2CCCCC2)[C@@H](Cc2ccccc2)CN1 ZINC000062673056 520462361 /nfs/dbraw/zinc/46/23/61/520462361.db2.gz NGFBLZCFPYWECF-SFHVURJKSA-N 1 0 286.463 3.614 10 0 CHAERO CCCCN(c1ccc(C[NH2+]CC)cn1)[C@H](C)CC ZINC000051521521 520552150 /nfs/dbraw/zinc/55/21/50/520552150.db2.gz KYPDRIBKPRNVAD-CQSZACIVSA-N 1 0 263.429 3.596 10 0 CHAERO CCC[C@@H](C)C[C@@H](Cc1nc(C)cs1)[NH2+]CC ZINC000055269019 520636431 /nfs/dbraw/zinc/63/64/31/520636431.db2.gz DILWQSZMOOAIGU-YPMHNXCESA-N 1 0 254.443 3.798 10 0 CHAERO CCCCO[C@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050483209 520843506 /nfs/dbraw/zinc/84/35/06/520843506.db2.gz VHMVMJJMSZXHDT-OAHLLOKOSA-N 1 0 253.361 3.682 10 0 CHAERO CCCC[C@@H](C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000050889891 521005630 /nfs/dbraw/zinc/00/56/30/521005630.db2.gz VWUJVHGVEGZHPZ-OCCSQVGLSA-N 1 0 262.422 3.999 10 0 CHAERO CCC[C@H](C)C[C@H](Cc1csc(C)n1)[NH2+]CC ZINC000055295784 521026405 /nfs/dbraw/zinc/02/64/05/521026405.db2.gz AYOPHFGWWLWDIO-WCQYABFASA-N 1 0 254.443 3.798 10 0 CHAERO CC[N@H+](CC[C@@H](O)c1cccc(Cl)c1)CC(C)C ZINC000054024086 521157479 /nfs/dbraw/zinc/15/74/79/521157479.db2.gz NXOLXIXIGMIIMF-OAHLLOKOSA-N 1 0 269.816 3.741 10 0 CHAERO CCCC[C@H](CC)CC1(C[NH2+]CC)CCOCC1 ZINC000061674167 521168309 /nfs/dbraw/zinc/16/83/09/521168309.db2.gz IWBMOVKBDRJDGZ-HNNXBMFYSA-N 1 0 255.446 3.999 10 0 CHAERO CCCC[C@H](CC)c1nnc(CC[NH2+]C(C)(C)C)o1 ZINC000050620590 521182890 /nfs/dbraw/zinc/18/28/90/521182890.db2.gz GRMPAGMZESGLRF-LBPRGKRZSA-N 1 0 267.417 3.684 10 0 CHAERO CCOc1ccc([C@](C)([NH3+])c2cccc(Cl)c2)cc1 ZINC000055195667 521277707 /nfs/dbraw/zinc/27/77/07/521277707.db2.gz GIJDBYFVMIMMAY-INIZCTEOSA-N 1 0 275.779 3.961 10 0 CHAERO CCC(C)(C)[NH2+]CCOCc1ccccc1Cl ZINC000053551292 521350897 /nfs/dbraw/zinc/35/08/97/521350897.db2.gz TZZBJHVTVAVYQG-UHFFFAOYSA-N 1 0 255.789 3.635 10 0 CHAERO CCN(c1nc(C)c([C@@H](C)[NH3+])s1)c1ccc(C)cc1 ZINC000054897228 521503667 /nfs/dbraw/zinc/50/36/67/521503667.db2.gz SUYPYGKWKNPSIY-LLVKDONJSA-N 1 0 275.421 3.938 10 0 CHAERO CCCc1nc(N(C)[C@@H](C)CC)sc1C[NH2+]C(C)C ZINC000054996708 521529578 /nfs/dbraw/zinc/52/95/78/521529578.db2.gz RHZARLDHPAWLNN-LBPRGKRZSA-N 1 0 283.485 3.828 10 0 CHAERO CCOc1ccccc1OCCCCC[NH2+]C(C)C ZINC000052654144 521565249 /nfs/dbraw/zinc/56/52/49/521565249.db2.gz QMJCUTKEYGJPNI-UHFFFAOYSA-N 1 0 265.397 3.632 10 0 CHAERO CCCN(CC(F)(F)F)[C@H](C[NH2+]CC(C)C)C(C)C ZINC000052503968 521587791 /nfs/dbraw/zinc/58/77/91/521587791.db2.gz GJAFEXJEXVMIFQ-CYBMUJFWSA-N 1 0 282.394 3.531 10 0 CHAERO CCC(CC)[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1F ZINC000061561042 521606216 /nfs/dbraw/zinc/60/62/16/521606216.db2.gz POONPBDFBIDKSE-OAHLLOKOSA-N 1 0 269.360 3.540 10 0 CHAERO CCc1cccc(Oc2ccc(C(N)=[NH2+])cc2Cl)c1 ZINC000062794597 521780951 /nfs/dbraw/zinc/78/09/51/521780951.db2.gz MPJAQUYZXKUBCY-UHFFFAOYSA-N 1 0 274.751 3.979 10 0 CHAERO CC[C@H](C)c1ccc([C@@H](O)C[NH2+]C2CCCC2)cc1 ZINC000049849679 522040489 /nfs/dbraw/zinc/04/04/89/522040489.db2.gz PLDSXHPHQCSISQ-GUYCJALGSA-N 1 0 261.409 3.766 10 0 CHAERO C[NH2+]C[C@H](O[C@@H](C)c1ccccc1)c1ccccc1 ZINC000050492767 522078212 /nfs/dbraw/zinc/07/82/12/522078212.db2.gz YWODWNNYANNLBB-YOEHRIQHSA-N 1 0 255.361 3.725 10 0 CHAERO C[NH2+][C@@H](COc1ccccc1)Cc1ccc(Cl)cc1 ZINC000054437251 522356457 /nfs/dbraw/zinc/35/64/57/522356457.db2.gz FQPQAXATGZHDFZ-OAHLLOKOSA-N 1 0 275.779 3.550 10 0 CHAERO CCc1nc(N2CCC[C@H](C)C2)sc1C[NH2+]CC(C)C ZINC000054995605 522384810 /nfs/dbraw/zinc/38/48/10/522384810.db2.gz FBCYKUOSIGMHGE-ZDUSSCGKSA-N 1 0 295.496 3.687 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccc(F)c(F)c2F)o1 ZINC000052924194 522443982 /nfs/dbraw/zinc/44/39/82/522443982.db2.gz KRYQQOOGMARBKN-SSDOTTSWSA-N 1 0 255.239 3.644 10 0 CHAERO C[NH2+][C@H](C)c1cnc(N2CCc3sccc3[C@@H]2C)s1 ZINC000054906604 522452928 /nfs/dbraw/zinc/45/29/28/522452928.db2.gz ZKSLVITUAJXUGA-ZJUUUORDSA-N 1 0 293.461 3.609 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1C)c1ccc(F)cc1C ZINC000055226812 522473446 /nfs/dbraw/zinc/47/34/46/522473446.db2.gz QRXOFAVYULDYSP-QGZVFWFLSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](Cc1cccs1)c1ccc2ncccc2c1 ZINC000062802287 522475397 /nfs/dbraw/zinc/47/53/97/522475397.db2.gz XYSDMVITMFUXJG-MRXNPFEDSA-N 1 0 268.385 3.800 10 0 CHAERO C[NH2+][C@H](Cc1nc(C)cs1)c1cc(C)cc(C)c1 ZINC000055268094 522475599 /nfs/dbraw/zinc/47/55/99/522475599.db2.gz CLQCIMWQPHDATH-CQSZACIVSA-N 1 0 260.406 3.572 10 0 CHAERO C[NH2+][C@H](c1cc(C)oc1C)C1(c2ccccc2)CC1 ZINC000061617965 522478326 /nfs/dbraw/zinc/47/83/26/522478326.db2.gz PWZUVGVDTNLKTJ-MRXNPFEDSA-N 1 0 255.361 3.889 10 0 CHAERO C[NH2+][C@H]1CCCCC[C@@H]1c1cccc2cnccc21 ZINC000061124725 522490623 /nfs/dbraw/zinc/49/06/23/522490623.db2.gz GBRSZMPGSDYIBN-SJORKVTESA-N 1 0 254.377 3.871 10 0 CHAERO C[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1Oc1ccc(C)cc1 ZINC000054556350 522505664 /nfs/dbraw/zinc/50/56/64/522505664.db2.gz GBHIRIOPSYPIDR-PVAVHDDUSA-N 1 0 261.409 3.787 10 0 CHAERO C[NH2+][C@H]1C[C@@H](C)CCc2c(Cl)cc(OC)c(OC)c21 ZINC000061831418 522508123 /nfs/dbraw/zinc/50/81/23/522508123.db2.gz OJNLWMSQRFICHA-CABZTGNLSA-N 1 0 283.799 3.590 10 0 CHAERO CNc1cc(C(C)(C)C)[nH+]c2c(COC)cccc12 ZINC000050871077 522562149 /nfs/dbraw/zinc/56/21/49/522562149.db2.gz CHRXACHELCFPGS-UHFFFAOYSA-N 1 0 258.365 3.720 10 0 CHAERO CC[C@@H](c1cccs1)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052853853 523108817 /nfs/dbraw/zinc/10/88/17/523108817.db2.gz PVHAWLSOFJUDOB-ZDUSSCGKSA-N 1 0 271.389 3.988 10 0 CHAERO CC[C@@H]1CCC(=O)[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC000053930827 523140259 /nfs/dbraw/zinc/14/02/59/523140259.db2.gz ZUSVQLVZZFMPEO-GDBMZVCRSA-N 1 0 265.441 3.894 10 0 CHAERO CC[C@@H]1CCC(=O)[C@H](C[N@H+](C)[C@@H](C)CC(C)C)C1 ZINC000053930453 523140570 /nfs/dbraw/zinc/14/05/70/523140570.db2.gz GVOXYOMLALJNFQ-ZNMIVQPWSA-N 1 0 253.430 3.748 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1OCc1cc(C)c(C[NH3+])o1 ZINC000052621883 523208863 /nfs/dbraw/zinc/20/88/63/523208863.db2.gz TZSBUWYSPNCQPP-OCCSQVGLSA-N 1 0 251.370 3.532 10 0 CHAERO C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1N ZINC000050442855 523347142 /nfs/dbraw/zinc/34/71/42/523347142.db2.gz DUYUEUIYJXZVSA-UHFFFAOYSA-N 1 0 260.768 3.554 10 0 CHAERO CC[C@H]1CSC(N[C@H](C)c2cccc(Cl)c2)=[NH+]1 ZINC000049526523 523356125 /nfs/dbraw/zinc/35/61/25/523356125.db2.gz PSLLVMBIQXDRFJ-SKDRFNHKSA-N 1 0 268.813 3.872 10 0 CHAERO CC[C@@H]1CSC(N[C@@H](c2cccs2)C(C)C)=[NH+]1 ZINC000049559181 523519118 /nfs/dbraw/zinc/51/91/18/523519118.db2.gz RYXFMGMMCLITAF-ZYHUDNBSSA-N 1 0 268.451 3.916 10 0 CHAERO CN1C(=O)C[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)c2ccccc21 ZINC000149294537 523703680 /nfs/dbraw/zinc/70/36/80/523703680.db2.gz MXFUEPUHVLZVFX-UKRRQHHQSA-N 1 0 286.419 3.653 10 0 CHAERO C[N@@H+]1CCCC[C@H]1CCNc1ccc(Cl)c(F)c1 ZINC000052205910 523796924 /nfs/dbraw/zinc/79/69/24/523796924.db2.gz FEBICOLWZWFWPO-LBPRGKRZSA-N 1 0 270.779 3.765 10 0 CHAERO CC[C@H](C)N(CC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052451605 523936481 /nfs/dbraw/zinc/93/64/81/523936481.db2.gz BONCEONOIKEYPL-YOEHRIQHSA-N 1 0 260.425 3.600 10 0 CHAERO CCc1ccc(C[C@@](C)(CC)C[NH2+]CCOC)s1 ZINC000054661872 523951565 /nfs/dbraw/zinc/95/15/65/523951565.db2.gz QSARFSZJSTULHQ-OAHLLOKOSA-N 1 0 269.454 3.505 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@@H](CN(C)C)C(C)C)s1 ZINC000049199608 524046986 /nfs/dbraw/zinc/04/69/86/524046986.db2.gz AEOASPYIJMFDFC-JSGCOSHPSA-N 1 0 268.470 3.547 10 0 CHAERO COc1cccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000037074369 524091680 /nfs/dbraw/zinc/09/16/80/524091680.db2.gz OALDNLRWXAWSAH-DYVFJYSZSA-N 1 0 283.371 3.870 10 0 CHAERO Cc1ccc(C)c([C@@H]([NH3+])CCOc2ccccc2)c1 ZINC000053303257 524204413 /nfs/dbraw/zinc/20/44/13/524204413.db2.gz CAUGIHVBOYCFOA-KRWDZBQOSA-N 1 0 255.361 3.772 10 0 CHAERO C[C@H]1CCC[C@H](SCc2cccc(C(N)=[NH2+])c2)C1 ZINC000054691505 524211684 /nfs/dbraw/zinc/21/16/84/524211684.db2.gz SNLDFOLWQZYPNX-FZMZJTMJSA-N 1 0 262.422 3.783 10 0 CHAERO COc1ccc(Cl)cc1C[C@H](C)C[NH2+]C(C)C ZINC000052966176 524213486 /nfs/dbraw/zinc/21/34/86/524213486.db2.gz LXZIBYLJGAQOSK-NSHDSACASA-N 1 0 255.789 3.525 10 0 CHAERO C[C@@H]1CCC[C@@H](OCC[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000053569061 524318396 /nfs/dbraw/zinc/31/83/96/524318396.db2.gz XODRPPFOVIDSCO-QKPAOTATSA-N 1 0 253.430 3.750 10 0 CHAERO Cc1cc(C)cc(N(C)CCCC[NH2+]CC(C)C)c1 ZINC000052544604 524405999 /nfs/dbraw/zinc/40/59/99/524405999.db2.gz OHGNWSYOYHNFLW-UHFFFAOYSA-N 1 0 262.441 3.765 10 0 CHAERO Cc1cccc(CSc2ccccc2C(N)=[NH2+])c1 ZINC000054965761 524462861 /nfs/dbraw/zinc/46/28/61/524462861.db2.gz ILENXFCARZYCGO-UHFFFAOYSA-N 1 0 256.374 3.571 10 0 CHAERO C[C@H](C[NH2+]C1CCCCC1)OCc1cccs1 ZINC000053591344 524482227 /nfs/dbraw/zinc/48/22/27/524482227.db2.gz SHLGIIHYVAPMKQ-GFCCVEGCSA-N 1 0 253.411 3.576 10 0 CHAERO COc1ccccc1C[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052972702 524510979 /nfs/dbraw/zinc/51/09/79/524510979.db2.gz AUNBAFPOZIETMO-OAHLLOKOSA-N 1 0 263.425 3.898 10 0 CHAERO C[C@@H](C[NH2+]C(C)(C)C)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629165 524733908 /nfs/dbraw/zinc/73/39/08/524733908.db2.gz SQDRICJPQBRPBE-HZSPNIEDSA-N 1 0 255.446 3.994 10 0 CHAERO Cc1cc(C[NH2+][C@@H](C)c2ccccc2F)c(C)n1C ZINC000052790306 524766807 /nfs/dbraw/zinc/76/68/07/524766807.db2.gz HALYLOKRKLLGHC-LBPRGKRZSA-N 1 0 260.356 3.632 10 0 CHAERO Cc1ccc(F)c([C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000055205876 524835457 /nfs/dbraw/zinc/83/54/57/524835457.db2.gz YVRKPCPJCQUAJK-CQSZACIVSA-N 1 0 294.167 3.945 10 0 CHAERO C[C@H]([NH3+])c1ccc(-n2ncc3ccccc32)c(Cl)c1 ZINC000061698499 524864704 /nfs/dbraw/zinc/86/47/04/524864704.db2.gz BOQXYYDFYVMZEP-JTQLQIEISA-N 1 0 271.751 3.699 10 0 CHAERO C[C@H]([NH3+])c1ccc(Sc2ccccn2)c(Cl)c1 ZINC000061700017 524865910 /nfs/dbraw/zinc/86/59/10/524865910.db2.gz GKDKXLDRSZYRCA-VIFPVBQESA-N 1 0 264.781 3.906 10 0 CHAERO C[C@@H]1CN(CCCc2ccccc2)c2ccccc2C[NH2+]1 ZINC000062671259 524950824 /nfs/dbraw/zinc/95/08/24/524950824.db2.gz YRGKXWNHMMGTPA-MRXNPFEDSA-N 1 0 280.415 3.618 10 0 CHAERO Cc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000050941048 525037167 /nfs/dbraw/zinc/03/71/67/525037167.db2.gz ZGRVYGGJIXUUNJ-LBPRGKRZSA-N 1 0 280.799 3.509 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000037074361 525165029 /nfs/dbraw/zinc/16/50/29/525165029.db2.gz VORINTKLCATZIC-DYVFJYSZSA-N 1 0 283.371 3.870 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]CC1(C)COC1)c1ccccc1 ZINC000094721676 525429693 /nfs/dbraw/zinc/42/96/93/525429693.db2.gz KPZZVNRFKBBPLQ-GOSISDBHSA-N 1 0 281.399 3.711 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000281391813 525488002 /nfs/dbraw/zinc/48/80/02/525488002.db2.gz ZNGUNJHIOPRRQR-XJFOESAGSA-N 1 0 265.372 3.680 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccsc1 ZINC000050342298 525688669 /nfs/dbraw/zinc/68/86/69/525688669.db2.gz KZHQPDUUOLHGFX-RISCZKNCSA-N 1 0 259.374 3.923 10 0 CHAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@@H](C)c1nc2ccccc2s1 ZINC000247155537 525695800 /nfs/dbraw/zinc/69/58/00/525695800.db2.gz XIHMGVFSPATURN-UZWSLXQKSA-N 1 0 260.406 3.786 10 0 CHAERO C[C@@H]1c2ccsc2CCN1c1cc(Cl)ccc1C[NH3+] ZINC000062787000 525735289 /nfs/dbraw/zinc/73/52/89/525735289.db2.gz FOYMHQYZEASILT-SNVBAGLBSA-N 1 0 292.835 3.984 10 0 CHAERO Cc1ccc([C@@](C)([NH3+])c2cc(F)ccc2F)cc1C ZINC000055242840 525867633 /nfs/dbraw/zinc/86/76/33/525867633.db2.gz QHNAJOMKLJXEFT-MRXNPFEDSA-N 1 0 261.315 3.804 10 0 CHAERO C[C@H](c1nc(-c2ccccc2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000157947573 526169315 /nfs/dbraw/zinc/16/93/15/526169315.db2.gz HUHHYQLXKLBWNN-SWLSCSKDSA-N 1 0 279.343 3.540 10 0 CHAERO Cc1ccc(C)c(-c2ncc(C[NH2+]C(C)C)s2)c1 ZINC000049670103 526256114 /nfs/dbraw/zinc/25/61/14/526256114.db2.gz JUNFBCOXPRTRQT-UHFFFAOYSA-N 1 0 260.406 3.925 10 0 CHAERO C[C@H]1CCCC[C@@H]1[NH2+]CCOc1cc(F)cc(F)c1 ZINC000054935073 526258122 /nfs/dbraw/zinc/25/81/22/526258122.db2.gz VHTYSJDDKHMUOY-NHYWBVRUSA-N 1 0 269.335 3.512 10 0 CHAERO Cc1csc([C@@H]([NH2+]C(C)C)c2ccc(F)cc2C)n1 ZINC000050580506 526415641 /nfs/dbraw/zinc/41/56/41/526415641.db2.gz OLWNFVTVGULOLO-AWEZNQCLSA-N 1 0 278.396 3.986 10 0 CHAERO c1ccc2c(c1)CCC[C@H]2OCCC[C@@H]1CCC[NH2+]1 ZINC000052764991 526503756 /nfs/dbraw/zinc/50/37/56/526503756.db2.gz PTGPUMJSZFUGLT-DOTOQJQBSA-N 1 0 259.393 3.613 10 0 CHAERO Cc1n[nH]cc1C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131288756 526553855 /nfs/dbraw/zinc/55/38/55/526553855.db2.gz XYRIXLDPOPLGGR-MRXNPFEDSA-N 1 0 297.402 3.644 10 0 CHAERO Cc1nc(-c2ccsc2)nc(C)c1C[NH2+]CC(C)C ZINC000054854525 526619946 /nfs/dbraw/zinc/61/99/46/526619946.db2.gz GAFULHKERMPWTQ-UHFFFAOYSA-N 1 0 275.421 3.568 10 0 CHAERO Cc1nc(Cc2ccc(F)cc2Cl)sc1[C@H](C)[NH3+] ZINC000062608475 526927857 /nfs/dbraw/zinc/92/78/57/526927857.db2.gz WVEKFIYCSMYMGV-ZETCQYMHSA-N 1 0 284.787 3.855 10 0 CHAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000052842150 527123193 /nfs/dbraw/zinc/12/31/93/527123193.db2.gz RDNLGBPYSJPSOK-JRPNMDOOSA-N 1 0 257.381 3.924 10 0 CHAERO [NH3+]C[C@@H](Cc1cccs1)Cc1cccc(Cl)c1 ZINC000052947999 527204037 /nfs/dbraw/zinc/20/40/37/527204037.db2.gz CEXQNIJWMMPTJT-GFCCVEGCSA-N 1 0 265.809 3.762 10 0 CHAERO [NH3+]C[C@H](Cc1ccc(Cl)s1)Cc1ccccc1F ZINC000052948349 527224976 /nfs/dbraw/zinc/22/49/76/527224976.db2.gz BTYXBTYLQOFZEA-JTQLQIEISA-N 1 0 283.799 3.901 10 0 CHAERO [NH3+][C@@H](CC(F)(F)F)c1ccccc1OC(F)(F)F ZINC000055225529 527329150 /nfs/dbraw/zinc/32/91/50/527329150.db2.gz UEHFCHRIEQJWCI-ZETCQYMHSA-N 1 0 273.176 3.537 10 0 CHAERO [NH3+][C@@H](Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000049348666 527334641 /nfs/dbraw/zinc/33/46/41/527334641.db2.gz KFTAJTGCMNBPFI-AWEZNQCLSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@@H](Cc1cccc(F)c1F)c1ccc(Cl)cc1 ZINC000053790178 527335746 /nfs/dbraw/zinc/33/57/46/527335746.db2.gz JLYYEHLRSSYPRJ-ZDUSSCGKSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1cccc(Cl)c1Cl ZINC000054686377 527337621 /nfs/dbraw/zinc/33/76/21/527337621.db2.gz PITLUGLKMYYGRX-ZFWWWQNUSA-N 1 0 296.197 3.597 10 0 CHAERO Nc1[nH+]c2ccccc2n1Cc1ccccc1C(F)(F)F ZINC000061627300 527562620 /nfs/dbraw/zinc/56/26/20/527562620.db2.gz BZAKSTARVISNRY-UHFFFAOYSA-N 1 0 291.276 3.686 10 0 CHAERO CCN(CC(C)C)c1cc[nH+]c(C)c1Br ZINC000669379826 566951264 /nfs/dbraw/zinc/95/12/64/566951264.db2.gz KTZPPSMVKVLPLT-UHFFFAOYSA-N 1 0 271.202 3.635 10 0 CHAERO [NH3+][C@@H](CC1CC1)c1cc2c(cccc2Br)o1 ZINC000675081240 567027024 /nfs/dbraw/zinc/02/70/24/567027024.db2.gz NRUHDXJZGWTILP-NSHDSACASA-N 1 0 280.165 3.995 10 0 CHAERO CC[NH+](CC)[C@@]1(CC)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952491 567209278 /nfs/dbraw/zinc/20/92/78/567209278.db2.gz MYJXZVNZNXHKQQ-KRWDZBQOSA-N 1 0 298.471 3.898 10 0 CHAERO CC(C)C[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731088 567890662 /nfs/dbraw/zinc/89/06/62/567890662.db2.gz FTIAKRWFAIOURN-UHFFFAOYSA-N 1 0 255.789 3.873 10 0 CHAERO CC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000057353119 567895163 /nfs/dbraw/zinc/89/51/63/567895163.db2.gz ZUUXRPOXLOHOSS-UHFFFAOYSA-N 1 0 282.362 3.938 10 0 CHAERO CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000068591016 567901187 /nfs/dbraw/zinc/90/11/87/567901187.db2.gz KIMAVXXQFVORIO-UONOGXRCSA-N 1 0 298.471 3.706 10 0 CHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@H]1c1cccc(Br)c1 ZINC000725254461 567913537 /nfs/dbraw/zinc/91/35/37/567913537.db2.gz ULAIWKKPZCAKCF-FZZIBODNSA-N 1 0 280.209 3.693 10 0 CHAERO CC(C)(C)[C@H]1C[C@H]2CC[C@@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000725268198 567924132 /nfs/dbraw/zinc/92/41/32/567924132.db2.gz KOPJWUJWSGCGCT-LXTVHRRPSA-N 1 0 263.425 3.502 10 0 CHAERO [NH3+][C@H](CC1CC1)c1cc2cc(Br)ccc2o1 ZINC000309181078 567931518 /nfs/dbraw/zinc/93/15/18/567931518.db2.gz CHYVWWKXNUOWLF-LLVKDONJSA-N 1 0 280.165 3.995 10 0 CHAERO COc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OC ZINC000013725974 567942246 /nfs/dbraw/zinc/94/22/46/567942246.db2.gz ZUCHOOGVDVFCSI-OAHLLOKOSA-N 1 0 299.414 3.815 10 0 CHAERO CCC[NH2+][C@H](C)c1c(Br)ccc(F)c1F ZINC000725261987 570262191 /nfs/dbraw/zinc/26/21/91/570262191.db2.gz PWLLTEOGKMFIKS-SSDOTTSWSA-N 1 0 278.140 3.788 10 0 CHAERO CC(=O)CC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000101560423 1122831589 /nfs/dbraw/zinc/83/15/89/1122831589.db2.gz TWSZPENRZOJAPJ-UHFFFAOYSA-N 1 0 267.372 3.765 10 0 CHAERO Cc1c[nH+]ccc1N1CC=C(c2cccs2)CC1 ZINC000192606170 1125335610 /nfs/dbraw/zinc/33/56/10/1125335610.db2.gz URMXHEIBMDSEKE-UHFFFAOYSA-N 1 0 256.374 3.745 10 0 CHAERO COCc1nc(-c2ccc(C)cc2)sc1C[NH2+]C1CC1 ZINC000082445333 178021665 /nfs/dbraw/zinc/02/16/65/178021665.db2.gz CPSNXJCQMREQOW-UHFFFAOYSA-N 1 0 288.416 3.517 10 0 CHAERO CCC[NH2+]Cc1sc(C(C)(C)C)nc1CCC ZINC000082428041 178003494 /nfs/dbraw/zinc/00/34/94/178003494.db2.gz LRZWRYMEXMUFGY-UHFFFAOYSA-N 1 0 254.443 3.893 10 0 CHAERO CCCc1nc(-c2ccco2)sc1C[NH2+]C(C)C ZINC000082428517 178004406 /nfs/dbraw/zinc/00/44/06/178004406.db2.gz HGTSMWXNBCMDQZ-UHFFFAOYSA-N 1 0 264.394 3.854 10 0 CHAERO CC(C)c1nc(C(C)(C)C)sc1C[NH2+]C1CC1 ZINC000082430509 178008400 /nfs/dbraw/zinc/00/84/00/178008400.db2.gz CAEGSDLVGINZQT-UHFFFAOYSA-N 1 0 252.427 3.816 10 0 CHAERO C[NH2+]Cc1sc(-c2ccccc2OC)nc1C(C)C ZINC000082431045 178008849 /nfs/dbraw/zinc/00/88/49/178008849.db2.gz PZAOLCSGWOARRT-UHFFFAOYSA-N 1 0 276.405 3.662 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cccs2)nc1COC ZINC000082446538 178023981 /nfs/dbraw/zinc/02/39/81/178023981.db2.gz WQXVULKWTKYFTG-UHFFFAOYSA-N 1 0 282.434 3.518 10 0 CHAERO C[C@@H]([NH3+])c1ccc(F)c(-c2cnn(-c3ccccc3)c2)c1 ZINC000082708353 178217811 /nfs/dbraw/zinc/21/78/11/178217811.db2.gz XFYZVOOTCTWZHL-GFCCVEGCSA-N 1 0 281.334 3.698 10 0 CHAERO CC[C@@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000083160720 178345207 /nfs/dbraw/zinc/34/52/07/178345207.db2.gz RBUTVFJUZZTIGR-SECBINFHSA-N 1 0 254.127 3.605 10 0 CHAERO Cc1ccc(Br)cc1[C@@H]([NH3+])C1CCC1 ZINC000083256652 178372291 /nfs/dbraw/zinc/37/22/91/178372291.db2.gz XJOQXXYLUOFBSB-LBPRGKRZSA-N 1 0 254.171 3.557 10 0 CHAERO C[C@H]([NH3+])c1cc2cccc(Br)c2s1 ZINC000096884435 185120272 /nfs/dbraw/zinc/12/02/72/185120272.db2.gz HYHORQHFGFBIIJ-LURJTMIESA-N 1 0 256.168 3.684 10 0 CHAERO [NH3+]C[C@H](c1ccccc1Br)C1CCCC1 ZINC000096885954 185120991 /nfs/dbraw/zinc/12/09/91/185120991.db2.gz CYAPMQCWAAMTPS-LBPRGKRZSA-N 1 0 268.198 3.682 10 0 CHAERO COc1cc([C@@H]([NH3+])CC(C)C)c(OC)cc1C(C)C ZINC000096889453 185123972 /nfs/dbraw/zinc/12/39/72/185123972.db2.gz KSLTUNKPEDNLLE-AWEZNQCLSA-N 1 0 265.397 3.873 10 0 CHAERO [NH3+]CCCCc1nc(-c2cccc(Cl)c2)cs1 ZINC000083493668 178518236 /nfs/dbraw/zinc/51/82/36/178518236.db2.gz DAODHEPNNSLDMM-UHFFFAOYSA-N 1 0 266.797 3.745 10 0 CHAERO CC(C)[NH2+]CCc1ccc(OC(C)C)c(Cl)c1 ZINC000098130238 185691098 /nfs/dbraw/zinc/69/10/98/185691098.db2.gz LBYRLRGXMQOGCQ-UHFFFAOYSA-N 1 0 255.789 3.668 10 0 CHAERO CC[C@H](Cc1cc(C(C)(C)C)c(OC)cc1C)[NH2+]C ZINC000098131090 185691745 /nfs/dbraw/zinc/69/17/45/185691745.db2.gz ZVIQTXZZCXUEMT-CQSZACIVSA-N 1 0 263.425 3.842 10 0 CHAERO CC[C@H]([NH3+])Cc1ccccc1N1CCC(CC)CC1 ZINC000104278453 136554102 /nfs/dbraw/zinc/55/41/02/136554102.db2.gz CUYNEIARNGTPLI-INIZCTEOSA-N 1 0 260.425 3.593 10 0 CHAERO CCc1cccc(O[C@H]2CCCCCC[C@@H]2[NH2+]C)c1 ZINC000103972515 185872337 /nfs/dbraw/zinc/87/23/37/185872337.db2.gz NHJAFBNDNLZTGS-IRXDYDNUSA-N 1 0 261.409 3.939 10 0 CHAERO Cc1cc(C)cc(N(C)CC[NH2+]CC2CCCC2)c1 ZINC000104001109 185879698 /nfs/dbraw/zinc/87/96/98/185879698.db2.gz MJWMEZIOJJIXBM-UHFFFAOYSA-N 1 0 260.425 3.519 10 0 CHAERO CCC[NH2+][C@@H](CCC)CN(CC)c1ccc(C)cc1 ZINC000103989965 185877456 /nfs/dbraw/zinc/87/74/56/185877456.db2.gz SUFODYMOAULPLY-INIZCTEOSA-N 1 0 262.441 3.990 10 0 CHAERO C[C@@H](c1cccs1)N(C)c1ccc(CC[NH3+])cc1F ZINC000104278162 185952757 /nfs/dbraw/zinc/95/27/57/185952757.db2.gz MDWJXIXZQREJRT-NSHDSACASA-N 1 0 278.396 3.586 10 0 CHAERO CSc1ccc(OCc2cc(C[NH3+])ccc2F)cc1 ZINC000104341487 185975165 /nfs/dbraw/zinc/97/51/65/185975165.db2.gz SNEZIKPOWNVPLN-UHFFFAOYSA-N 1 0 277.364 3.585 10 0 CHAERO O=C(C[NH+]1CCCC1)Nc1ccc(C2CCCCC2)cc1 ZINC000004897792 256776608 /nfs/dbraw/zinc/77/66/08/256776608.db2.gz OJUUPPZBSRYXBB-UHFFFAOYSA-N 1 0 286.419 3.769 10 0 CHAERO CCC[NH+](CCC)[C@H]1CCc2cccc(C(C)=O)c2C1 ZINC000001552435 169713000 /nfs/dbraw/zinc/71/30/00/169713000.db2.gz SDJCCUJEEKDIBV-INIZCTEOSA-N 1 0 273.420 3.869 10 0 CHAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]1SC ZINC000348093866 533249138 /nfs/dbraw/zinc/24/91/38/533249138.db2.gz BREOLFKFGHCDNF-XHSDSOJGSA-N 1 0 277.433 3.556 10 0 CHAERO C[C@H]1C[NH2+]C(C)(C)CN1c1ccc(Cl)cc1Cl ZINC000041408952 134881717 /nfs/dbraw/zinc/88/17/17/134881717.db2.gz WQKKFDJWMPICQE-VIFPVBQESA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(C)c(C)c1 ZINC000083441662 135021401 /nfs/dbraw/zinc/02/14/01/135021401.db2.gz CXCFTHCIBTTXND-DOTOQJQBSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(C(C)(C)C)cc1 ZINC000083441522 135021601 /nfs/dbraw/zinc/02/16/01/135021601.db2.gz KLFKLYWNWOMNHG-ZFWWWQNUSA-N 1 0 260.425 3.561 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc2ccccc2c1 ZINC000083511087 135025622 /nfs/dbraw/zinc/02/56/22/135025622.db2.gz LDTUQGAJWAGQPY-DLBZAZTESA-N 1 0 268.404 3.807 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(Cl)c(Cl)c1 ZINC000083536491 135027828 /nfs/dbraw/zinc/02/78/28/135027828.db2.gz ZDNUZWZZYSMWFV-NXEZZACHSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H]1CN(c2cc(Cl)ccc2Cl)[C@H](C)C[NH2+]1 ZINC000083536446 135027884 /nfs/dbraw/zinc/02/78/84/135027884.db2.gz OIAQCANYXOJUNR-MWLCHTKSSA-N 1 0 273.207 3.570 10 0 CHAERO CC(C)[C@H]1CN(c2ccc(C(C)(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000083541843 135028128 /nfs/dbraw/zinc/02/81/28/135028128.db2.gz QNAIXGYWPQYJCO-WMLDXEAASA-N 1 0 274.452 3.807 10 0 CHAERO Cc1ccc(C)c(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083542108 135028771 /nfs/dbraw/zinc/02/87/71/135028771.db2.gz XRHCAUWYXLNSKC-SJLPKXTDSA-N 1 0 274.452 3.762 10 0 CHAERO c1c(CCC[NH+]2CCCCC2)onc1-c1ccccc1 ZINC000002039948 169770648 /nfs/dbraw/zinc/77/06/48/169770648.db2.gz UOUVJMKUBQBVKR-UHFFFAOYSA-N 1 0 270.376 3.760 10 0 CHAERO C[NH+](C)C/C=C(/c1ccccc1)c1cccc(F)c1 ZINC000005688757 170129625 /nfs/dbraw/zinc/12/96/25/170129625.db2.gz LXFAPIFEQCWVJW-BOPFTXTBSA-N 1 0 255.336 3.819 10 0 CHAERO CC[NH2+][C@H](C)Cc1cccc(SC(F)(F)F)c1 ZINC000005853378 170147254 /nfs/dbraw/zinc/14/72/54/170147254.db2.gz HNONSDNCRNUTCT-SECBINFHSA-N 1 0 263.328 3.839 10 0 in-man CHAERO CCCCn1c2ccccc2nc1NCC[NH+](CC)CC ZINC000006856768 170250243 /nfs/dbraw/zinc/25/02/43/170250243.db2.gz POHRWQADZBBXEL-UHFFFAOYSA-N 1 0 288.439 3.590 10 0 CHAERO COc1cccc([C@H]([NH3+])Cc2ccc(Cl)cc2)c1 ZINC000011604151 170426367 /nfs/dbraw/zinc/42/63/67/170426367.db2.gz GYIRMUBEOBIOAZ-OAHLLOKOSA-N 1 0 261.752 3.591 10 0 CHAERO CCCc1ccc(OCc2ccc(C[NH3+])cc2)cc1 ZINC000011945378 170459992 /nfs/dbraw/zinc/45/99/92/170459992.db2.gz BIJXNNUSDKRDQB-UHFFFAOYSA-N 1 0 255.361 3.677 10 0 CHAERO CC1(C)Cc2c(cnn2Cc2ccccc2Cl)[C@H]([NH3+])C1 ZINC000013997063 170614690 /nfs/dbraw/zinc/61/46/90/170614690.db2.gz USFDAFYUIIZPAU-CQSZACIVSA-N 1 0 289.810 3.557 10 0 CHAERO Cc1ccc2cc(C[NH2+]C3CCCC3)c(N(C)C)nc2c1 ZINC000014972813 170650964 /nfs/dbraw/zinc/65/09/64/170650964.db2.gz JZEXJJFTVUYVCA-UHFFFAOYSA-N 1 0 283.419 3.641 10 0 CHAERO COc1ccc([C@H]([NH3+])[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000019254734 170758764 /nfs/dbraw/zinc/75/87/64/170758764.db2.gz OQISCDJONMTCPA-KBXCAEBGSA-N 1 0 285.387 3.779 10 0 CHAERO [NH3+]C[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000019670738 170835302 /nfs/dbraw/zinc/83/53/02/170835302.db2.gz JCXHRXKOTFXOAC-CQSZACIVSA-N 1 0 292.176 3.528 10 0 CHAERO Cc1cccc(O[C@H](C[NH3+])c2ccc(F)cc2)c1C ZINC000019671511 170835832 /nfs/dbraw/zinc/83/58/32/170835832.db2.gz MCSAVUNCLQFRHR-MRXNPFEDSA-N 1 0 259.324 3.521 10 0 CHAERO [NH3+]C[C@H](Oc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000019671610 170835889 /nfs/dbraw/zinc/83/58/89/170835889.db2.gz RHUFREIEDGZHAI-AWEZNQCLSA-N 1 0 283.705 3.697 10 0 CHAERO CCN(c1cccc2ccccc21)[C@@H](C[NH3+])c1ccco1 ZINC000019803554 170872210 /nfs/dbraw/zinc/87/22/10/170872210.db2.gz PTYIMGDZBDUUMO-KRWDZBQOSA-N 1 0 280.371 3.959 10 0 CHAERO [NH3+]Cc1ccc(COc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000019841014 170889536 /nfs/dbraw/zinc/88/95/36/170889536.db2.gz ZFTPFQWSAHKFEC-UHFFFAOYSA-N 1 0 299.267 3.882 10 0 CHAERO C[C@@H]([NH3+])c1ccccc1Sc1nc2ccccc2[nH]1 ZINC000019873961 170903639 /nfs/dbraw/zinc/90/36/39/170903639.db2.gz RSSKFXUDJNRJSU-SNVBAGLBSA-N 1 0 269.373 3.734 10 0 CHAERO CCOc1ccc([C@H]([NH3+])c2ccccc2C)cc1OCC ZINC000019967797 170949543 /nfs/dbraw/zinc/94/95/43/170949543.db2.gz AKPHIIROGOZOPR-SFHVURJKSA-N 1 0 285.387 3.841 10 0 CHAERO Cc1ccc([C@H]([NH3+])c2cc(Cl)ccc2F)s1 ZINC000019969908 170952769 /nfs/dbraw/zinc/95/27/69/170952769.db2.gz SXXMNOCJPMOWHL-GFCCVEGCSA-N 1 0 255.745 3.897 10 0 CHAERO CCCOc1ccc([C@H](N)C[NH+](CCC)CCC)cc1 ZINC000019994008 170963417 /nfs/dbraw/zinc/96/34/17/170963417.db2.gz JJAYTGADNQSDQI-QGZVFWFLSA-N 1 0 278.440 3.597 10 0 CHAERO CCc1ccc([C@@H]([NH3+])CN2CCCc3ccccc32)cc1 ZINC000020021493 170971738 /nfs/dbraw/zinc/97/17/38/170971738.db2.gz RAJUUWVUDDKCRS-SFHVURJKSA-N 1 0 280.415 3.702 10 0 CHAERO Clc1ccc(CC[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000020024711 170972341 /nfs/dbraw/zinc/97/23/41/170972341.db2.gz OLPXOSPEUABIKI-INIZCTEOSA-N 1 0 287.790 3.996 10 0 CHAERO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccncc1 ZINC000020120983 170999321 /nfs/dbraw/zinc/99/93/21/170999321.db2.gz LHPQXRDRYKCCAB-LLVKDONJSA-N 1 0 280.293 3.951 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(O)cc1 ZINC000020127656 171012816 /nfs/dbraw/zinc/01/28/16/171012816.db2.gz AKUXAQAUPXEWRE-LRDDRELGSA-N 1 0 256.349 3.589 10 0 CHAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129348 171016911 /nfs/dbraw/zinc/01/69/11/171016911.db2.gz CTMBNTJVHVHCCU-HIFRSBDPSA-N 1 0 274.433 3.702 10 0 CHAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020129394 171017420 /nfs/dbraw/zinc/01/74/20/171017420.db2.gz OOEMEKRRCOTUKZ-APWZRJJASA-N 1 0 282.431 3.949 10 0 CHAERO C[C@H]1C[C@H]1c1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000020143190 171029168 /nfs/dbraw/zinc/02/91/68/171029168.db2.gz RTDOEPITLJTLPJ-SWLSCSKDSA-N 1 0 290.451 3.802 10 0 CHAERO C=COCCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000020197345 171061216 /nfs/dbraw/zinc/06/12/16/171061216.db2.gz OILCQAAJPBUNAW-CQSZACIVSA-N 1 0 253.773 3.931 10 0 CHAERO CCc1ccc([C@@H](C[NH3+])N(C)Cc2ccccc2C)cc1 ZINC000020225700 171088228 /nfs/dbraw/zinc/08/82/28/171088228.db2.gz WZIAQWICSYTKIB-LJQANCHMSA-N 1 0 282.431 3.689 10 0 CHAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccc(Cl)cc2)cc1 ZINC000020225557 171088438 /nfs/dbraw/zinc/08/84/38/171088438.db2.gz SYJFHEGWBSQZBB-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO Cc1ccc([C@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020225578 171088586 /nfs/dbraw/zinc/08/85/86/171088586.db2.gz AVSPIMBPIWVNCD-KRWDZBQOSA-N 1 0 260.425 3.507 10 0 CHAERO CCc1ccc(CN(CCC[NH3+])c2ccc(C)cc2)cc1 ZINC000020237091 171096125 /nfs/dbraw/zinc/09/61/25/171096125.db2.gz NXTLITLWJQGHBD-UHFFFAOYSA-N 1 0 282.431 3.913 10 0 CHAERO [NH3+]CCCN(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000020237406 171096270 /nfs/dbraw/zinc/09/62/70/171096270.db2.gz RBVQZCJBXWQNRO-UHFFFAOYSA-N 1 0 274.795 3.695 10 0 CHAERO C[C@@H]([NH3+])c1ccccc1OCc1ccc2ccccc2n1 ZINC000020246131 171099601 /nfs/dbraw/zinc/09/96/01/171099601.db2.gz CBTLRBXDZMRGCR-CYBMUJFWSA-N 1 0 278.355 3.834 10 0 CHAERO Cc1ccc([C@@H]([NH3+])[C@@H](C)n2ccnc2C(C)C)cc1 ZINC000020262077 171119757 /nfs/dbraw/zinc/11/97/57/171119757.db2.gz WINQOOYGESEFIP-HIFRSBDPSA-N 1 0 257.381 3.576 10 0 CHAERO CC[C@H](Oc1ccccc1F)[C@H]([NH3+])c1ccccc1 ZINC000020262550 171119947 /nfs/dbraw/zinc/11/99/47/171119947.db2.gz HWXUQCARQLSBTM-GOEBONIOSA-N 1 0 259.324 3.683 10 0 CHAERO c1ccc(-c2c3ccccc3nc3c2C[NH2+]CC3)cc1 ZINC000020274845 171131703 /nfs/dbraw/zinc/13/17/03/171131703.db2.gz LHCXBBDXIKZJOU-UHFFFAOYSA-N 1 0 260.340 3.548 10 0 CHAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000020362585 171161896 /nfs/dbraw/zinc/16/18/96/171161896.db2.gz IFGGGWWCPZWULF-KRWDZBQOSA-N 1 0 286.444 3.935 10 0 CHAERO Cc1ccc(-c2nn(-c3cccc(C)c3)cc2C[NH3+])cc1 ZINC000020390739 171179828 /nfs/dbraw/zinc/17/98/28/171179828.db2.gz CGIXZJNBPGXKGM-UHFFFAOYSA-N 1 0 277.371 3.615 10 0 CHAERO [NH3+][C@H](Cc1nc2ccccc2o1)c1ccccc1Cl ZINC000020427714 171193411 /nfs/dbraw/zinc/19/34/11/171193411.db2.gz IZJZCJSOMANYKT-GFCCVEGCSA-N 1 0 272.735 3.724 10 0 CHAERO Cc1cccc([C@@H]([NH3+])Cc2nc3ccccc3s2)c1 ZINC000020428600 171193987 /nfs/dbraw/zinc/19/39/87/171193987.db2.gz WDADBRCHSTXNFU-ZDUSSCGKSA-N 1 0 268.385 3.847 10 0 CHAERO C[C@@H]([NH3+])CCOc1ccc(Oc2ccccc2)cc1 ZINC000020429310 171194661 /nfs/dbraw/zinc/19/46/61/171194661.db2.gz WMXDIVRHSRJSFO-CYBMUJFWSA-N 1 0 257.333 3.595 10 0 CHAERO [NH3+]Cc1ccc(Oc2cccc(Cl)c2)c(F)c1 ZINC000020470286 171212710 /nfs/dbraw/zinc/21/27/10/171212710.db2.gz PQUFDIYPLHNXMU-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000020482323 171223114 /nfs/dbraw/zinc/22/31/14/171223114.db2.gz ZZSZAESDIWPJMP-MLGOLLRUSA-N 1 0 265.397 3.920 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1ccsc1 ZINC000020484694 171224779 /nfs/dbraw/zinc/22/47/79/171224779.db2.gz OALHRHFFYXCQCY-AWEZNQCLSA-N 1 0 254.443 3.650 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@H]1CCC[C@@H](C)C1 ZINC000020517097 171232686 /nfs/dbraw/zinc/23/26/86/171232686.db2.gz KIMRWIOFYBVALO-WZRBSPASSA-N 1 0 251.345 3.803 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@H]1CCC[C@H](C)C1 ZINC000020517098 171232802 /nfs/dbraw/zinc/23/28/02/171232802.db2.gz KIMRWIOFYBVALO-LOWVWBTDSA-N 1 0 251.345 3.803 10 0 CHAERO C[C@@H]1CCC[C@H](Oc2cccc(Cl)c2C[NH3+])C1 ZINC000020517783 171233126 /nfs/dbraw/zinc/23/31/26/171233126.db2.gz SKGFZOJXJDVOND-MNOVXSKESA-N 1 0 253.773 3.756 10 0 CHAERO C=COCCC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000020525771 171238566 /nfs/dbraw/zinc/23/85/66/171238566.db2.gz BPEKFKLSUSOOKQ-INIZCTEOSA-N 1 0 259.393 3.939 10 0 CHAERO CCOc1ccc(O[C@H](C)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000020546341 171244100 /nfs/dbraw/zinc/24/41/00/171244100.db2.gz XOSPYPCUESVAEM-RDTXWAMCSA-N 1 0 285.387 3.861 10 0 CHAERO CC(C)[C@@H]([C@H](N)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000020546229 171244216 /nfs/dbraw/zinc/24/42/16/171244216.db2.gz GPQSLYWPUOZNAR-UAGQMJEPSA-N 1 0 260.425 3.585 10 0 CHAERO CCCC[N@H+](CC)C[C@H](N)c1ccc(C(C)C)cc1 ZINC000020547091 171244652 /nfs/dbraw/zinc/24/46/52/171244652.db2.gz GERSKCGPCDDWHW-KRWDZBQOSA-N 1 0 262.441 3.932 10 0 CHAERO CC[C@@H](C)C[C@](CC)(CN)[NH+]1CCCCCCC1 ZINC000020547509 171244868 /nfs/dbraw/zinc/24/48/68/171244868.db2.gz NIRTYKCJZBTQFD-HZPDHXFCSA-N 1 0 254.462 3.796 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@H](N)[C@@H]([NH+]2CCCCCC2)C1 ZINC000020558757 171250958 /nfs/dbraw/zinc/25/09/58/171250958.db2.gz AFHUBFDWICPHDG-PMPSAXMXSA-N 1 0 266.473 3.795 10 0 CHAERO CC(C)c1ccc(O[C@H]2COc3ccccc3[C@H]2[NH3+])cc1 ZINC000020566883 171254605 /nfs/dbraw/zinc/25/46/05/171254605.db2.gz KCIWEMHBWKHWOO-ZWKOTPCHSA-N 1 0 283.371 3.650 10 0 CHAERO COc1cccc(C[C@@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020587199 171259326 /nfs/dbraw/zinc/25/93/26/171259326.db2.gz KNGVPBKFDRKUCJ-QGZVFWFLSA-N 1 0 255.361 3.555 10 0 CHAERO COc1cc([C@@H]([NH3+])c2ccc(C)c(C)c2)ccc1C ZINC000020587150 171259456 /nfs/dbraw/zinc/25/94/56/171259456.db2.gz WEDYRCPQAVLOQZ-KRWDZBQOSA-N 1 0 255.361 3.669 10 0 CHAERO Cc1ccc(F)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020596027 171264354 /nfs/dbraw/zinc/26/43/54/171264354.db2.gz PEWRIIUESRCSIC-INIZCTEOSA-N 1 0 284.378 3.821 10 0 CHAERO COC[C@H](C)[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000020826510 171273864 /nfs/dbraw/zinc/27/38/64/171273864.db2.gz DVAAAQRVMBYWLU-JKSUJKDBSA-N 1 0 299.414 3.951 10 0 CHAERO Cc1n[nH]c(CCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1C ZINC000020868209 171276891 /nfs/dbraw/zinc/27/68/91/171276891.db2.gz BNNFWJNVWXBBIK-GOSISDBHSA-N 1 0 298.434 3.581 10 0 CHAERO CC(C)N(CC[NH2+]C1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000021009492 171286377 /nfs/dbraw/zinc/28/63/77/171286377.db2.gz ARCJVAHCGZSJTA-XYPWUTKMSA-N 1 0 254.462 3.520 10 0 CHAERO CC(C)Cc1ccc([C@H](N)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000021011665 171287120 /nfs/dbraw/zinc/28/71/20/171287120.db2.gz LIJSTADSEJDEPV-CRAIPNDOSA-N 1 0 274.452 3.617 10 0 CHAERO [NH3+][C@H](COc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000021013236 171288646 /nfs/dbraw/zinc/28/86/46/171288646.db2.gz LRXFIKYQGBWOBO-RBXDXQPVSA-N 1 0 289.394 3.748 10 0 CHAERO CCc1ccc(OC[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021013746 171288852 /nfs/dbraw/zinc/28/88/52/171288852.db2.gz PAGDGXDPBICCPB-KRWDZBQOSA-N 1 0 255.361 3.636 10 0 CHAERO Cc1cc(C)c(C[NH2+]CC2(N(C)C)CCCCC2)c(C)c1 ZINC000021021840 171290666 /nfs/dbraw/zinc/29/06/66/171290666.db2.gz OHQJZCMYTMLWFR-UHFFFAOYSA-N 1 0 288.479 3.966 10 0 CHAERO CCC(CC)[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000021022446 171290842 /nfs/dbraw/zinc/29/08/42/171290842.db2.gz HIDIRLYARCOODI-KRWDZBQOSA-N 1 0 262.441 3.848 10 0 CHAERO CC[C@@H](NCC[NH+](C(C)C)C(C)C)c1ccc(F)cc1 ZINC000021049811 171294973 /nfs/dbraw/zinc/29/49/73/171294973.db2.gz KVJLIGXTVFVTJV-QGZVFWFLSA-N 1 0 280.431 3.985 10 0 CHAERO Cc1ccccc1[C@@H]1[NH2+]Cc2ccccc2-n2cccc21 ZINC000021164201 171299076 /nfs/dbraw/zinc/29/90/76/171299076.db2.gz XTCIHHNQFPJCJP-IBGZPJMESA-N 1 0 274.367 3.978 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000021503838 171306917 /nfs/dbraw/zinc/30/69/17/171306917.db2.gz HVANAFAXZPQQBP-ZOWXZIJZSA-N 1 0 294.826 3.693 10 0 CHAERO C[C@H]1[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2)CCC[C@@H]1C ZINC000021503835 171306979 /nfs/dbraw/zinc/30/69/79/171306979.db2.gz HVANAFAXZPQQBP-YWPYICTPSA-N 1 0 294.826 3.693 10 0 CHAERO CC(C)[C@H](CNCc1cccc(Cl)c1Cl)[NH+](C)C ZINC000021504508 171307266 /nfs/dbraw/zinc/30/72/66/171307266.db2.gz WZIJSHAXZVIIDW-ZDUSSCGKSA-N 1 0 289.250 3.669 10 0 CHAERO CCc1ccc([C@@H]([NH3+])COc2ccc(C)cc2)cc1 ZINC000021505419 171307743 /nfs/dbraw/zinc/30/77/43/171307743.db2.gz NHLAVPQHPNGFGO-KRWDZBQOSA-N 1 0 255.361 3.636 10 0 CHAERO CCc1ccc([C@@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000021508639 171309250 /nfs/dbraw/zinc/30/92/50/171309250.db2.gz XNUJDCIOPIEQPF-ZQIUZPCESA-N 1 0 260.425 3.512 10 0 CHAERO CCc1ccc([C@H]([NH3+])COc2cc(C)cc(C)c2)cc1 ZINC000021511282 171310466 /nfs/dbraw/zinc/31/04/66/171310466.db2.gz DWUWHYVNGFJRIC-GOSISDBHSA-N 1 0 269.388 3.945 10 0 CHAERO CC(C)Cc1ccc([C@H](N)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000021515314 171311856 /nfs/dbraw/zinc/31/18/56/171311856.db2.gz ANKJWRHUQNZPPT-MAUKXSAKSA-N 1 0 274.452 3.759 10 0 CHAERO CC(C)CC[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000021514873 171311916 /nfs/dbraw/zinc/31/19/16/171311916.db2.gz IEIOMESVALJAIP-HOTGVXAUSA-N 1 0 254.462 3.521 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCCCCCC1 ZINC000021518552 171314506 /nfs/dbraw/zinc/31/45/06/171314506.db2.gz NKQUCDWJBRVBCE-GFCCVEGCSA-N 1 0 250.361 3.616 10 0 CHAERO COc1ccc(OC)c([C@H]([NH3+])CC2CCCCC2)c1 ZINC000021519145 171315181 /nfs/dbraw/zinc/31/51/81/171315181.db2.gz NKRJFKDSJODDBM-OAHLLOKOSA-N 1 0 263.381 3.674 10 0 CHAERO CCCOc1ccc([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000021787180 171323009 /nfs/dbraw/zinc/32/30/09/171323009.db2.gz ZFSQNEFHDACCCD-RLFYNMQTSA-N 1 0 290.451 3.738 10 0 CHAERO CC(C)C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC000021789922 171323554 /nfs/dbraw/zinc/32/35/54/171323554.db2.gz BLHJVGDXNQKZBM-XJKSGUPXSA-N 1 0 282.859 3.967 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](OCCC(C)C)C1 ZINC000021805877 171327409 /nfs/dbraw/zinc/32/74/09/171327409.db2.gz PRIZRGHTWAPYHM-ILXRZTDVSA-N 1 0 255.446 3.981 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COC2CCC(C)CC2)cc1C ZINC000021814666 171331851 /nfs/dbraw/zinc/33/18/51/171331851.db2.gz IPZCWLPYXKJJDQ-SEFLRBGSSA-N 1 0 261.409 3.899 10 0 CHAERO CC(C)[C@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)N1CCCC1 ZINC000021815987 171332440 /nfs/dbraw/zinc/33/24/40/171332440.db2.gz QPKOHMROELBOMG-JYJNAYRXSA-N 1 0 266.473 3.521 10 0 CHAERO Cc1cc(C)c([C@@H]([NH3+])COc2ccccc2C)c(C)c1 ZINC000021819747 171334206 /nfs/dbraw/zinc/33/42/06/171334206.db2.gz IZENRYWOXRUKGE-INIZCTEOSA-N 1 0 269.388 3.999 10 0 CHAERO Cc1cccc(NC(=O)Nc2cccc([C@@H](C)[NH3+])c2)c1 ZINC000022217985 171376272 /nfs/dbraw/zinc/37/62/72/171376272.db2.gz XHFPPNPLIKNXQU-GFCCVEGCSA-N 1 0 269.348 3.659 10 0 CHAERO [NH3+]C[C@@H](c1cccc(Oc2ccccc2)c1)N1CCCC1 ZINC000022222498 171378993 /nfs/dbraw/zinc/37/89/93/171378993.db2.gz BULAYWCURDGQST-SFHVURJKSA-N 1 0 282.387 3.575 10 0 CHAERO Fc1ccc(C[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000022449366 171387592 /nfs/dbraw/zinc/38/75/92/171387592.db2.gz QQAUMABKNVBWOG-UHFFFAOYSA-N 1 0 278.350 3.752 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2ccc(F)cc2)c(C)c1 ZINC000023068392 171408759 /nfs/dbraw/zinc/40/87/59/171408759.db2.gz CDODANBUXLDBNW-MRXNPFEDSA-N 1 0 259.324 3.521 10 0 CHAERO CCC[NH+]1CCC(Nc2cccc3cnccc32)CC1 ZINC000028641173 171567870 /nfs/dbraw/zinc/56/78/70/171567870.db2.gz BHEVVMVKCUMQLW-UHFFFAOYSA-N 1 0 269.392 3.521 10 0 CHAERO C[NH+](C)CCNc1cc(-c2ccccc2)c2ccccc2n1 ZINC000029207038 171589339 /nfs/dbraw/zinc/58/93/39/171589339.db2.gz NIRVSZIDASGULS-UHFFFAOYSA-N 1 0 291.398 3.875 10 0 CHAERO Cc1cccc2c(C)cc(SCCC[NH+](C)C)nc12 ZINC000032529040 171731978 /nfs/dbraw/zinc/73/19/78/171731978.db2.gz UIZXGYKVQMHWLQ-UHFFFAOYSA-N 1 0 274.433 3.895 10 0 CHAERO CC[NH2+]Cc1ccc(N(C)c2ccccc2)c(F)c1 ZINC000034823210 171877072 /nfs/dbraw/zinc/87/70/72/171877072.db2.gz XDMJIBWFLQHPHW-UHFFFAOYSA-N 1 0 258.340 3.703 10 0 CHAERO CCCN(c1cccc(F)c1[C@H](C)[NH2+]C)C(C)C ZINC000034841340 171884281 /nfs/dbraw/zinc/88/42/81/171884281.db2.gz CUQVIEKJQIDHFK-LBPRGKRZSA-N 1 0 252.377 3.731 10 0 CHAERO NC(=[NH2+])c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000034973249 171909368 /nfs/dbraw/zinc/90/93/68/171909368.db2.gz VXRYVQJQBODHIV-UHFFFAOYSA-N 1 0 295.169 3.856 10 0 CHAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000034974314 171909855 /nfs/dbraw/zinc/90/98/55/171909855.db2.gz JILFGFCEONNNEV-YMTOWFKASA-N 1 0 269.772 3.547 10 0 CHAERO c1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc2c1OCO2 ZINC000034994362 171922473 /nfs/dbraw/zinc/92/24/73/171922473.db2.gz MIPPRDLRFKZAFM-ARFHVFGLSA-N 1 0 287.403 3.864 10 0 CHAERO CCCC[NH+](CCCC)CC(=O)c1ccc(OC)c(F)c1 ZINC000035022215 171941027 /nfs/dbraw/zinc/94/10/27/171941027.db2.gz AMHJJAPBFCKBDA-UHFFFAOYSA-N 1 0 295.398 3.919 10 0 CHAERO Fc1cccc(CC[NH2+]CCCc2ccccc2)c1 ZINC000035137897 172005402 /nfs/dbraw/zinc/00/54/02/172005402.db2.gz HTNNKRZGSBJYNY-UHFFFAOYSA-N 1 0 257.352 3.591 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@@](C)(CN)CCc1ccccc1 ZINC000035176720 172030309 /nfs/dbraw/zinc/03/03/09/172030309.db2.gz BUCPGQIFBGITNY-LJQANCHMSA-N 1 0 288.479 3.991 10 0 CHAERO CC(C)(C)[C@H]([NH3+])CCc1ccc(Br)cc1F ZINC000035285165 172103500 /nfs/dbraw/zinc/10/35/00/172103500.db2.gz WXIPFIJTZBCFEN-GFCCVEGCSA-N 1 0 288.204 3.894 10 0 CHAERO Cc1cc([C@H]([NH3+])c2cc3c(s2)CCC3)c(C)s1 ZINC000035381404 172163204 /nfs/dbraw/zinc/16/32/04/172163204.db2.gz UWPVBBPHQJUORW-AWEZNQCLSA-N 1 0 263.431 3.963 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2cccs2)cc1Br ZINC000035381673 172164358 /nfs/dbraw/zinc/16/43/58/172164358.db2.gz QJECJSNYGQMJBH-GFCCVEGCSA-N 1 0 298.205 3.567 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccsc2)c2ccccc12 ZINC000035381790 172164805 /nfs/dbraw/zinc/16/48/05/172164805.db2.gz VZHZZCHLOIHYHN-INIZCTEOSA-N 1 0 269.369 3.958 10 0 CHAERO CCCC[C@@H]([NH2+]C)c1ccc(OC)c(Br)c1 ZINC000035455118 172206581 /nfs/dbraw/zinc/20/65/81/172206581.db2.gz BJJZXAJJWXWPMS-GFCCVEGCSA-N 1 0 286.213 3.908 10 0 CHAERO CCCC[C@H]([NH2+]C)c1ccc(OC)c(Br)c1 ZINC000035455115 172206842 /nfs/dbraw/zinc/20/68/42/172206842.db2.gz BJJZXAJJWXWPMS-LBPRGKRZSA-N 1 0 286.213 3.908 10 0 CHAERO C[NH2+][C@@H](CC(C)C)c1cc(Br)ccc1OC ZINC000035456604 172206931 /nfs/dbraw/zinc/20/69/31/172206931.db2.gz VRLNULMWEKBUBO-LBPRGKRZSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@H](Cc1cccc(OC)c1)c1ccc(C)s1 ZINC000035459073 172208255 /nfs/dbraw/zinc/20/82/55/172208255.db2.gz OQPKRAJGAHCFND-CQSZACIVSA-N 1 0 261.390 3.568 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cccc(F)c1 ZINC000035462822 172210663 /nfs/dbraw/zinc/21/06/63/172210663.db2.gz ZVUJFRNSUWBAON-AWEZNQCLSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000035462959 172210852 /nfs/dbraw/zinc/21/08/52/172210852.db2.gz MJVWFBYMOKWQDN-VIFPVBQESA-N 1 0 282.103 3.662 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)s1)c1ccccc1 ZINC000035464847 172212242 /nfs/dbraw/zinc/21/22/42/172212242.db2.gz OTPTYVOXIFPENU-LBPRGKRZSA-N 1 0 282.206 3.819 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1F)c1ccc(Cl)cc1 ZINC000035464604 172212610 /nfs/dbraw/zinc/21/26/10/172212610.db2.gz BEQWWVQOXDENGD-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000035465906 172213077 /nfs/dbraw/zinc/21/30/77/172213077.db2.gz PLBCFERBMJIPBN-HNNXBMFYSA-N 1 0 261.752 3.657 10 0 CHAERO CCOc1ccc([C@@H]([NH2+]C)c2sccc2C)cc1 ZINC000035466379 172213889 /nfs/dbraw/zinc/21/38/89/172213889.db2.gz DNGSCFHWAKLJCE-CQSZACIVSA-N 1 0 261.390 3.764 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1ccc(F)cc1Cl ZINC000035488104 172223296 /nfs/dbraw/zinc/22/32/96/172223296.db2.gz PVSIFBUOXGTZOD-LBPRGKRZSA-N 1 0 255.745 3.849 10 0 CHAERO CCCCC[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488799 172224129 /nfs/dbraw/zinc/22/41/29/172224129.db2.gz XYIIYQPTEVJYSN-AWEZNQCLSA-N 1 0 251.370 3.545 10 0 CHAERO C[NH2+][C@H](c1cc(C)cc(C)c1)c1ccc(F)cc1F ZINC000035491926 172226316 /nfs/dbraw/zinc/22/63/16/172226316.db2.gz VFOGJHKMPUNWKC-MRXNPFEDSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@H](c1ccsc1)c1ccc(OC(C)C)cc1 ZINC000035498560 172232428 /nfs/dbraw/zinc/23/24/28/172232428.db2.gz SGMJMDGKOFKHBT-HNNXBMFYSA-N 1 0 261.390 3.844 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1cc(OC)c(OC)cc1Cl ZINC000035501201 172235918 /nfs/dbraw/zinc/23/59/18/172235918.db2.gz AQIGMHLRYQHGJB-AWEZNQCLSA-N 1 0 297.807 3.728 10 0 CHAERO C[NH2+][C@@H](c1ccc2c(c1)C[C@@H](C)O2)C1CCCCC1 ZINC000035505018 172238654 /nfs/dbraw/zinc/23/86/54/172238654.db2.gz UWODAXCJBUOSPT-SJKOYZFVSA-N 1 0 259.393 3.851 10 0 CHAERO CCC[C@H]([NH2+]C)c1cc(Br)ccc1OCC ZINC000035505575 172239199 /nfs/dbraw/zinc/23/91/99/172239199.db2.gz NRXWWVXGKFNSQH-LBPRGKRZSA-N 1 0 286.213 3.908 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc(OC)c(F)c1 ZINC000035507447 172239691 /nfs/dbraw/zinc/23/96/91/172239691.db2.gz CUEGQHIUAIVLNT-CYBMUJFWSA-N 1 0 265.353 3.513 10 0 CHAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1cc(F)ccc1F ZINC000035543744 172252202 /nfs/dbraw/zinc/25/22/02/172252202.db2.gz OUCYSFLNGWVGFD-HNNXBMFYSA-N 1 0 265.278 3.803 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1ccc(F)cc1F ZINC000035547241 172255450 /nfs/dbraw/zinc/25/54/50/172255450.db2.gz QMNBUFZLMPJGGS-CYBMUJFWSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@@H](c1cccc(F)c1)c1ccc(F)cc1F ZINC000035547536 172255971 /nfs/dbraw/zinc/25/59/71/172255971.db2.gz SJPZYOCSBDYJKX-HNNXBMFYSA-N 1 0 265.278 3.803 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000035551645 172259486 /nfs/dbraw/zinc/25/94/86/172259486.db2.gz LLSIKRUMVZDNOS-CYBMUJFWSA-N 1 0 257.299 3.778 10 0 CHAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)OCCCO2)C1CC1 ZINC000035557390 172262741 /nfs/dbraw/zinc/26/27/41/172262741.db2.gz DFEADKQPHSBKQA-OAHLLOKOSA-N 1 0 281.783 3.562 10 0 CHAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000035558265 172263563 /nfs/dbraw/zinc/26/35/63/172263563.db2.gz GMAJZBXSRFCWMY-CHWSQXEVSA-N 1 0 274.191 3.823 10 0 CHAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035570550 172266216 /nfs/dbraw/zinc/26/62/16/172266216.db2.gz PCLMGMRUFOBLMV-GFCCVEGCSA-N 1 0 284.190 3.610 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)c(C)c1 ZINC000035571688 172267078 /nfs/dbraw/zinc/26/70/78/172267078.db2.gz JNDRNVPPPNVSPN-LLVKDONJSA-N 1 0 261.287 3.607 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035571071 172267460 /nfs/dbraw/zinc/26/74/60/172267460.db2.gz RQRCSAJEONDPNG-SKDRFNHKSA-N 1 0 273.298 3.613 10 0 CHAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)c(F)c1 ZINC000035572267 172268207 /nfs/dbraw/zinc/26/82/07/172268207.db2.gz MGLIGAQQFUNUJN-ZDUSSCGKSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(OC)c(F)c1 ZINC000035572038 172268303 /nfs/dbraw/zinc/26/83/03/172268303.db2.gz XHNKAYPIZKWMAV-CQSZACIVSA-N 1 0 265.353 3.595 10 0 CHAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1F ZINC000035582036 172279599 /nfs/dbraw/zinc/27/95/99/172279599.db2.gz XRJIXMJHQXWKPF-LLVKDONJSA-N 1 0 267.241 3.958 10 0 CHAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(F)c(F)c1 ZINC000035582352 172280158 /nfs/dbraw/zinc/28/01/58/172280158.db2.gz KZRXUDCLEWYQBD-AWEZNQCLSA-N 1 0 251.276 3.647 10 0 CHAERO CCC[NH2+][C@@H](c1cc(C)sc1C)[C@H]1CCCO1 ZINC000035583399 172281992 /nfs/dbraw/zinc/28/19/92/172281992.db2.gz RDZLVVKMQXAIAG-KGLIPLIRSA-N 1 0 253.411 3.585 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)C1CCC1 ZINC000035598562 172287782 /nfs/dbraw/zinc/28/77/82/172287782.db2.gz MGDXVGRZIVXECD-OAHLLOKOSA-N 1 0 251.345 3.675 10 0 CHAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)C(CC)CC ZINC000035643633 172321367 /nfs/dbraw/zinc/32/13/67/172321367.db2.gz ZFUGXGAAJIPDEL-LBPRGKRZSA-N 1 0 262.397 3.732 10 0 CHAERO CC[NH2+][C@H]1CCCOc2c(Br)cc(C)cc21 ZINC000035653793 172330990 /nfs/dbraw/zinc/33/09/90/172330990.db2.gz VKVMOKPNHCCSJR-LBPRGKRZSA-N 1 0 284.197 3.581 10 0 CHAERO CCCCOc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000035661948 172339421 /nfs/dbraw/zinc/33/94/21/172339421.db2.gz XRTQKMULDDLBAR-UHFFFAOYSA-N 1 0 262.180 3.892 10 0 CHAERO CC[C@H](C)C[C@](CC)(C[NH3+])N(C)Cc1ccsc1 ZINC000035719088 172373260 /nfs/dbraw/zinc/37/32/60/172373260.db2.gz YOYREZVYFDPOHB-DZGCQCFKSA-N 1 0 268.470 3.724 10 0 CHAERO CCc1cc(Oc2ccc(C[NH3+])cn2)ccc1Cl ZINC000035719867 172373658 /nfs/dbraw/zinc/37/36/58/172373658.db2.gz MZTHIKWGLWQLIN-UHFFFAOYSA-N 1 0 262.740 3.548 10 0 CHAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nc(C)cs2)C1 ZINC000035724646 172380173 /nfs/dbraw/zinc/38/01/73/172380173.db2.gz BODTWAAGNWCVDT-GRYCIOLGSA-N 1 0 270.467 3.697 10 0 CHAERO Cc1cc(Cl)c(C(C)C)cc1OC[C@H](C)C[NH3+] ZINC000035725974 172380587 /nfs/dbraw/zinc/38/05/87/172380587.db2.gz PCHSWJDVFQCJJU-SNVBAGLBSA-N 1 0 255.789 3.745 10 0 CHAERO Cc1cc(Cl)ccc1OCc1ccc(C[NH3+])cc1F ZINC000035726831 172380805 /nfs/dbraw/zinc/38/08/05/172380805.db2.gz UJHMZRGEGAAPOD-UHFFFAOYSA-N 1 0 279.742 3.825 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1OC ZINC000035738765 172392312 /nfs/dbraw/zinc/39/23/12/172392312.db2.gz ALHZKRGLIKXKIK-VXGBXAGGSA-N 1 0 275.348 3.709 10 0 CHAERO CC[NH2+][C@@H]1c2cc(Cl)cc(Cl)c2OC[C@@H]1C ZINC000035754488 172396371 /nfs/dbraw/zinc/39/63/71/172396371.db2.gz SFLUBERQXYUBKM-CPCISQLKSA-N 1 0 260.164 3.673 10 0 CHAERO CC[NH2+][C@H]1c2cc(Cl)cc(Cl)c2OC[C@H]1C ZINC000035754492 172396500 /nfs/dbraw/zinc/39/65/00/172396500.db2.gz SFLUBERQXYUBKM-RDDDGLTNSA-N 1 0 260.164 3.673 10 0 CHAERO CCOc1ccc(-c2csc([C@@H]([NH3+])C(C)C)n2)cc1 ZINC000036175642 172495666 /nfs/dbraw/zinc/49/56/66/172495666.db2.gz CBMNXSMMIQZAKM-AWEZNQCLSA-N 1 0 276.405 3.865 10 0 CHAERO CCc1ccccc1OC[C@H]([NH3+])c1ccccc1C ZINC000036669267 172647345 /nfs/dbraw/zinc/64/73/45/172647345.db2.gz HXQNIRJOAZPMHS-INIZCTEOSA-N 1 0 255.361 3.636 10 0 CHAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000036941034 172818072 /nfs/dbraw/zinc/81/80/72/172818072.db2.gz XDMOJDBVXXJAPL-AWEZNQCLSA-N 1 0 267.706 3.861 10 0 CHAERO CC(C)(C)[C@@H]([NH3+])CCc1cccc(Br)c1 ZINC000036988324 172851917 /nfs/dbraw/zinc/85/19/17/172851917.db2.gz ULUUOAHNAKBVRH-LBPRGKRZSA-N 1 0 270.214 3.755 10 0 CHAERO CC[N@H+]([C@@H](CN)c1ccc(C)c(C)c1)C1CCCC1 ZINC000037180115 173013128 /nfs/dbraw/zinc/01/31/28/173013128.db2.gz IHEZQZNUNBFGPO-KRWDZBQOSA-N 1 0 260.425 3.568 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+][C@@H](C)c3ccccc3)n12 ZINC000037185730 173017326 /nfs/dbraw/zinc/01/73/26/173017326.db2.gz AVCWHVCKXZWHSW-LBPRGKRZSA-N 1 0 285.416 3.863 10 0 CHAERO CC(C)[NH2+]Cc1cc(F)ccc1N1CCCCCC1 ZINC000037236077 173054686 /nfs/dbraw/zinc/05/46/86/173054686.db2.gz SSMBDOFNUVZDMS-UHFFFAOYSA-N 1 0 264.388 3.704 10 0 CHAERO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037303490 173108624 /nfs/dbraw/zinc/10/86/24/173108624.db2.gz LETHOSYPAFZJBO-WCQYABFASA-N 1 0 274.389 3.626 10 0 CHAERO CSCC[C@H]([NH3+])c1nc2ccccc2n1C(C)(C)C ZINC000037323681 173124017 /nfs/dbraw/zinc/12/40/17/173124017.db2.gz SOFBXSVIXVYXRI-NSHDSACASA-N 1 0 277.437 3.544 10 0 CHAERO FC(F)(F)Oc1ccc(CCC2CC[NH2+]CC2)cc1 ZINC000037328129 173128754 /nfs/dbraw/zinc/12/87/54/173128754.db2.gz LGSWDWQRLAFXGS-UHFFFAOYSA-N 1 0 273.298 3.517 10 0 CHAERO CCOc1cc(Cl)c([C@@H]([NH3+])C2CCC2)cc1OCC ZINC000037332942 173134700 /nfs/dbraw/zinc/13/47/00/173134700.db2.gz YFVGEAAPPDMWFT-HNNXBMFYSA-N 1 0 283.799 3.937 10 0 CHAERO CCC[N@H+](C(C)C)[C@H](C)C(=O)c1ccc(CC)cc1 ZINC000037335226 173136592 /nfs/dbraw/zinc/13/65/92/173136592.db2.gz STWPXDCTGKDXLZ-CQSZACIVSA-N 1 0 261.409 3.941 10 0 CHAERO COc1ccc(C(=O)C[N@H+](C)[C@H](C)C(C)C)cc1Cl ZINC000037339039 173140215 /nfs/dbraw/zinc/14/02/15/173140215.db2.gz TVBZZLUMYYMQQF-LLVKDONJSA-N 1 0 283.799 3.508 10 0 CHAERO CC(C)[C@H](C)[N@H+](C)CC(=O)c1cc2ccccc2o1 ZINC000037339032 173140824 /nfs/dbraw/zinc/14/08/24/173140824.db2.gz FBKNCOYXZNBOMN-LBPRGKRZSA-N 1 0 259.349 3.592 10 0 CHAERO CCCCN(C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424811 173199434 /nfs/dbraw/zinc/19/94/34/173199434.db2.gz SLZHYEKWLHUPSZ-ZDUSSCGKSA-N 1 0 275.223 3.725 10 0 CHAERO CC(C)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440691 173210213 /nfs/dbraw/zinc/21/02/13/173210213.db2.gz MNRPEXIOFOCQQW-ZDUSSCGKSA-N 1 0 265.788 3.926 10 0 CHAERO CC(C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440693 173210546 /nfs/dbraw/zinc/21/05/46/173210546.db2.gz MNRPEXIOFOCQQW-CYBMUJFWSA-N 1 0 265.788 3.926 10 0 CHAERO COc1ccccc1[C@@](C)([NH3+])c1cccc(Cl)c1 ZINC000037529707 173252689 /nfs/dbraw/zinc/25/26/89/173252689.db2.gz DHPIBJCTEQKVFB-HNNXBMFYSA-N 1 0 261.752 3.571 10 0 CHAERO C[C@@]([NH3+])(Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000037531152 173253254 /nfs/dbraw/zinc/25/32/54/173253254.db2.gz JNXLJZZJUSJZQT-OAHLLOKOSA-N 1 0 263.743 3.896 10 0 CHAERO C[C@]([NH3+])(Cc1ccccc1Cl)c1cccc(F)c1 ZINC000037531237 173253261 /nfs/dbraw/zinc/25/32/61/173253261.db2.gz XBVJINYKYKYYRM-HNNXBMFYSA-N 1 0 263.743 3.896 10 0 CHAERO [NH3+][C@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000037533499 173253726 /nfs/dbraw/zinc/25/37/26/173253726.db2.gz DOYHUEZAEHAFHO-CQSZACIVSA-N 1 0 294.167 3.831 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000037534176 173254497 /nfs/dbraw/zinc/25/44/97/173254497.db2.gz FBFMQIURPAKFHD-MRXNPFEDSA-N 1 0 277.770 3.852 10 0 CHAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000037533503 173254710 /nfs/dbraw/zinc/25/47/10/173254710.db2.gz JHBMDPKQBYUPFL-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO CCn1c(CC[NH2+]C(C)(C)C)nc2cccc(Cl)c21 ZINC000037600149 173553707 /nfs/dbraw/zinc/55/37/07/173553707.db2.gz YFSGSJNSLPQYCT-UHFFFAOYSA-N 1 0 279.815 3.640 10 0 CHAERO CCOC(=O)CCC[C@H]([NH3+])c1ccc([C@H](C)CC)cc1 ZINC000037636239 173584034 /nfs/dbraw/zinc/58/40/34/173584034.db2.gz NVBXMBZLXJSVME-CJNGLKHVSA-N 1 0 277.408 3.933 10 0 CHAERO C[C@@H]([NH3+])Cc1cccc(OCc2ccccc2Cl)c1 ZINC000037726483 173645194 /nfs/dbraw/zinc/64/51/94/173645194.db2.gz IAYFRXPORLIXGB-GFCCVEGCSA-N 1 0 275.779 3.809 10 0 CHAERO CCSc1ccccc1NC(=O)CC[NH2+]C(C)(C)C ZINC000037768056 173698366 /nfs/dbraw/zinc/69/83/66/173698366.db2.gz FAXMHFIJHIJIAB-UHFFFAOYSA-N 1 0 280.437 3.515 10 0 CHAERO CCC1CCC(C[NH2+]C[C@H](O)c2cccs2)CC1 ZINC000037905564 173838409 /nfs/dbraw/zinc/83/84/09/173838409.db2.gz LBKYPNZKQPALRA-RUXDESIVSA-N 1 0 267.438 3.588 10 0 CHAERO CC(C)[C@@H](OCc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000037981157 173941267 /nfs/dbraw/zinc/94/12/67/173941267.db2.gz CKYUOBOKVXKSFN-ZWKOTPCHSA-N 1 0 269.388 3.928 10 0 CHAERO CCC[C@@H](CCc1cc(Br)ccc1F)[NH2+]C ZINC000038001171 173963871 /nfs/dbraw/zinc/96/38/71/173963871.db2.gz GCYLMXVWKDJBPE-LBPRGKRZSA-N 1 0 288.204 3.909 10 0 CHAERO CC[C@@H](Cc1ccc(F)cc1Br)[C@@H](C)[NH2+]C ZINC000038004688 173966505 /nfs/dbraw/zinc/96/65/05/173966505.db2.gz PZSGBCTWBYHRFN-ZJUUUORDSA-N 1 0 288.204 3.765 10 0 CHAERO C[C@H](CCc1ccccc1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009393 173975161 /nfs/dbraw/zinc/97/51/61/173975161.db2.gz DDTZPROSZIKZIH-CRAIPNDOSA-N 1 0 281.399 3.601 10 0 CHAERO CC(C)[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000038009694 173975892 /nfs/dbraw/zinc/97/58/92/173975892.db2.gz NUHHMXVUHFVONY-MJGOQNOKSA-N 1 0 281.399 3.977 10 0 CHAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cc1 ZINC000038028194 174016538 /nfs/dbraw/zinc/01/65/38/174016538.db2.gz HDTWCMBAJUCDTG-CVEARBPZSA-N 1 0 274.452 3.774 10 0 CHAERO C[C@H](C[NH2+][C@@H]1CCCCc2ccccc21)N1CCCCC1 ZINC000038028451 174017344 /nfs/dbraw/zinc/01/73/44/174017344.db2.gz NTAWSZCQDQDCCD-VQIMIIECSA-N 1 0 286.463 3.918 10 0 CHAERO c1sc(C[NH2+][C@@H]2CN3CCC2CC3)cc1-c1ccccc1 ZINC000038030714 174022614 /nfs/dbraw/zinc/02/26/14/174022614.db2.gz DLKGZRCDXVBMHP-GOSISDBHSA-N 1 0 298.455 3.599 10 0 CHAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000038030837 174024044 /nfs/dbraw/zinc/02/40/44/174024044.db2.gz MAFFRMVUCHLLLJ-HOTGVXAUSA-N 1 0 287.428 3.808 10 0 CHAERO Cc1nccc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000038037449 174037640 /nfs/dbraw/zinc/03/76/40/174037640.db2.gz BRZNPAUZIWQAEF-CQSZACIVSA-N 1 0 283.419 3.834 10 0 CHAERO c1ccc(Oc2ccccc2NC2CC[NH2+]CC2)cc1 ZINC000038040501 174040806 /nfs/dbraw/zinc/04/08/06/174040806.db2.gz QJBPXTWOWFJQMJ-UHFFFAOYSA-N 1 0 268.360 3.643 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038044533 174052081 /nfs/dbraw/zinc/05/20/81/174052081.db2.gz BUIJIEJAHGJRGD-JKSUJKDBSA-N 1 0 291.435 3.799 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)c(Cl)c1 ZINC000038044510 174052170 /nfs/dbraw/zinc/05/21/70/174052170.db2.gz FYGVYNXKZABRFS-QWRGUYRKSA-N 1 0 271.763 3.556 10 0 CHAERO CCC[NH2+][C@H](C)c1c(F)cccc1-n1cc(Cl)cn1 ZINC000038053659 174065059 /nfs/dbraw/zinc/06/50/59/174065059.db2.gz OQBRJXLKZITYHA-SNVBAGLBSA-N 1 0 281.762 3.725 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(N(C)C)cc1 ZINC000038070091 174081110 /nfs/dbraw/zinc/08/11/10/174081110.db2.gz JCDYJSFHYLQDTF-CYBMUJFWSA-N 1 0 254.377 3.700 10 0 CHAERO CCC[NH2+]Cc1ccccc1-c1cccc(OC)c1 ZINC000038071476 174081900 /nfs/dbraw/zinc/08/19/00/174081900.db2.gz BUNUCRPIKTWWAM-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO [NH3+]Cc1ccc(F)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000038070901 174081959 /nfs/dbraw/zinc/08/19/59/174081959.db2.gz UKXVVPMJNXFICQ-UHFFFAOYSA-N 1 0 269.241 3.970 10 0 CHAERO CC[NH2+]Cc1ccc(F)c(-c2cccc(OC)c2)c1 ZINC000038071498 174082057 /nfs/dbraw/zinc/08/20/57/174082057.db2.gz UEZOPJVBNGQVCC-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO COc1ccc(-c2ccccc2C[NH2+]C(C)C)cc1 ZINC000038070963 174082216 /nfs/dbraw/zinc/08/22/16/174082216.db2.gz GYKBKCCMAOYFOV-UHFFFAOYSA-N 1 0 255.361 3.860 10 0 CHAERO C[NH2+]Cc1cc(-c2cc(Cl)ccc2OC)ccc1F ZINC000038071043 174082237 /nfs/dbraw/zinc/08/22/37/174082237.db2.gz LUNQJATXXMSBQY-UHFFFAOYSA-N 1 0 279.742 3.874 10 0 CHAERO CC[NH2+]Cc1cc(-c2ccc(F)c(F)c2)ccc1F ZINC000038072608 174082870 /nfs/dbraw/zinc/08/28/70/174082870.db2.gz SJGZZIXFBNURFC-UHFFFAOYSA-N 1 0 265.278 3.880 10 0 CHAERO CC[C@H]([NH3+])c1ccc(-c2ccc(OC)cc2F)cc1 ZINC000038073773 174083926 /nfs/dbraw/zinc/08/39/26/174083926.db2.gz FICOPJHXBWFNNN-INIZCTEOSA-N 1 0 259.324 3.911 10 0 CHAERO Cc1cc(C)cc(COc2ccccc2[C@H](C)[NH3+])c1 ZINC000038076656 174087442 /nfs/dbraw/zinc/08/74/42/174087442.db2.gz IUWOOGUYVIUHPC-AWEZNQCLSA-N 1 0 255.361 3.902 10 0 CHAERO Cc1cc(C)cc(C[C@](C)([NH3+])c2ccccc2F)c1 ZINC000038077124 174087475 /nfs/dbraw/zinc/08/74/75/174087475.db2.gz PWPUPJSTFLEORO-KRWDZBQOSA-N 1 0 257.352 3.859 10 0 CHAERO Cc1cc(C)cc(COc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000038076654 174087675 /nfs/dbraw/zinc/08/76/75/174087675.db2.gz FQECPNGHOWLKEX-AWEZNQCLSA-N 1 0 255.361 3.902 10 0 CHAERO CC[NH2+][C@H](Cc1ccccn1)c1ccccc1Cl ZINC000038078594 174088748 /nfs/dbraw/zinc/08/87/48/174088748.db2.gz XUXZCKMNNPGDGC-OAHLLOKOSA-N 1 0 260.768 3.628 10 0 CHAERO CCc1ccc([C@H](CC)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038096080 174110116 /nfs/dbraw/zinc/11/01/16/174110116.db2.gz VTDGYVBYMKXMRG-SJORKVTESA-N 1 0 261.409 3.859 10 0 CHAERO CC(C)[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccs1 ZINC000038096256 174110176 /nfs/dbraw/zinc/11/01/76/174110176.db2.gz MZVJTQVTXGBIFR-GXTWGEPZSA-N 1 0 253.411 3.604 10 0 CHAERO Cc1ccc([C@H]([NH2+]CC[C@H]2CCCO2)C2CC2)cc1 ZINC000038096261 174110520 /nfs/dbraw/zinc/11/05/20/174110520.db2.gz YWKZENMFKPDHBR-SJORKVTESA-N 1 0 259.393 3.605 10 0 CHAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000038129273 174131494 /nfs/dbraw/zinc/13/14/94/174131494.db2.gz DKAXSGPPFNMIHV-AWEZNQCLSA-N 1 0 267.706 3.861 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1OC)c1sccc1C ZINC000038135009 174132247 /nfs/dbraw/zinc/13/22/47/174132247.db2.gz ZBSUHYMUAAPVSQ-CYBMUJFWSA-N 1 0 261.390 3.568 10 0 CHAERO CN(C)[C@H](c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000040148613 174194695 /nfs/dbraw/zinc/19/46/95/174194695.db2.gz MYLJZKKJRGGLPH-HDICACEKSA-N 1 0 268.404 3.592 10 0 CHAERO CCc1nc2ccc(Cl)cc2n1CC[NH+](CC)CC ZINC000040405509 174254001 /nfs/dbraw/zinc/25/40/01/174254001.db2.gz SACHDMLXKMWWKR-UHFFFAOYSA-N 1 0 279.815 3.594 10 0 CHAERO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cccnc2)s1 ZINC000040517617 174307720 /nfs/dbraw/zinc/30/77/20/174307720.db2.gz WJOXLXXKLKQGBC-ZJUUUORDSA-N 1 0 261.394 3.567 10 0 CHAERO Cc1ccc(NCCC[NH+]2CCCC2)cc1Cl ZINC000041322937 174519389 /nfs/dbraw/zinc/51/93/89/174519389.db2.gz BWUYPBTZEQUWCK-UHFFFAOYSA-N 1 0 252.789 3.546 10 0 CHAERO Clc1ccc(NCCC[NH+]2CCCC2)c(Cl)c1 ZINC000041408927 174547920 /nfs/dbraw/zinc/54/79/20/174547920.db2.gz RRBVIUISDAHCGE-UHFFFAOYSA-N 1 0 273.207 3.891 10 0 CHAERO COc1ccc(C[C@@H](C[NH3+])Cc2ccccc2C)cc1F ZINC000041463984 174556480 /nfs/dbraw/zinc/55/64/80/174556480.db2.gz WNGYXPCIVUMDFJ-OAHLLOKOSA-N 1 0 287.378 3.503 10 0 CHAERO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C)ccc1OC ZINC000042245001 174664186 /nfs/dbraw/zinc/66/41/86/174664186.db2.gz LOZFWXBFPZFKQE-QGZVFWFLSA-N 1 0 293.451 3.939 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042331163 174687264 /nfs/dbraw/zinc/68/72/64/174687264.db2.gz SNTSZOMUIPKXOL-GOEBONIOSA-N 1 0 280.481 3.765 10 0 CHAERO C[NH2+][C@H]1CCCC[C@@H]1Cc1cc(Cl)ccc1OC ZINC000042402223 174710576 /nfs/dbraw/zinc/71/05/76/174710576.db2.gz SKRNPZQFXLBLHC-RISCZKNCSA-N 1 0 267.800 3.669 10 0 CHAERO CC(C)C[N@H+](C(C)C)[C@H](CN)c1cccc(Cl)c1 ZINC000042579094 174804325 /nfs/dbraw/zinc/80/43/25/174804325.db2.gz ZOVHPEXLTOKERD-OAHLLOKOSA-N 1 0 268.832 3.706 10 0 CHAERO CC[C@H]([NH2+]Cc1c(C)nc2sc(C)cn12)C(C)C ZINC000042585737 174808563 /nfs/dbraw/zinc/80/85/63/174808563.db2.gz WPRMSNAJBMTNGD-LBPRGKRZSA-N 1 0 265.426 3.537 10 0 CHAERO Cc1nc2sccn2c1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042858990 174892386 /nfs/dbraw/zinc/89/23/86/174892386.db2.gz MZCHQNAMHZWMQF-AAEUAGOBSA-N 1 0 277.437 3.620 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OC1CCCCC1)c1ccc(F)cc1 ZINC000042916030 174916327 /nfs/dbraw/zinc/91/63/27/174916327.db2.gz LWVBZRQFCBNZRP-HZPDHXFCSA-N 1 0 265.372 3.953 10 0 CHAERO C[C@@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1ccc(F)cc1 ZINC000042916531 174916393 /nfs/dbraw/zinc/91/63/93/174916393.db2.gz KUKXQZYZAATYSO-RGODHZJXSA-N 1 0 265.372 3.809 10 0 CHAERO Cc1cccc([C@@H](C[NH3+])Oc2ccc(F)cc2Cl)c1 ZINC000042969325 174932657 /nfs/dbraw/zinc/93/26/57/174932657.db2.gz ASONCTNVEKFIGV-OAHLLOKOSA-N 1 0 279.742 3.866 10 0 CHAERO CC[C@H]([NH3+])[C@H](Sc1ccccn1)c1cccc(C)c1 ZINC000042969767 174932924 /nfs/dbraw/zinc/93/29/24/174932924.db2.gz AQBAYDSNYKZLKI-GOEBONIOSA-N 1 0 272.417 3.961 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OCc1cccs1)c1cccc(F)c1 ZINC000042974286 174937664 /nfs/dbraw/zinc/93/76/64/174937664.db2.gz ZEEJQMVUPPYLNB-HUUCEWRRSA-N 1 0 279.380 3.882 10 0 CHAERO COc1cccc([C@@H](Sc2cccs2)[C@@H](C)[NH3+])c1 ZINC000043032313 174949102 /nfs/dbraw/zinc/94/91/02/174949102.db2.gz VPNWGQLRYDJFJU-YGRLFVJLSA-N 1 0 279.430 3.937 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](SCC(C)C)c1cccc(OC)c1 ZINC000043032439 174949257 /nfs/dbraw/zinc/94/92/57/174949257.db2.gz DNHFMXDWOGLLQB-CABCVRRESA-N 1 0 267.438 3.863 10 0 CHAERO Cc1ccccc1[C@H](O[C@@H]1CCCC[C@@H]1C)[C@@H](C)[NH3+] ZINC000043039276 174952877 /nfs/dbraw/zinc/95/28/77/174952877.db2.gz LXMKCPWTWXTEPN-XOSAIJSUSA-N 1 0 261.409 3.979 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](OC1CCCC1)c1ccccc1F ZINC000043046507 174956631 /nfs/dbraw/zinc/95/66/31/174956631.db2.gz YOIBXSWDOPCSDE-CABCVRRESA-N 1 0 251.345 3.563 10 0 CHAERO [NH3+]C[C@@H](SCc1ccccc1)c1ccccc1F ZINC000043049084 174957928 /nfs/dbraw/zinc/95/79/28/174957928.db2.gz XRKHVNZICIKVHU-OAHLLOKOSA-N 1 0 261.365 3.759 10 0 CHAERO CCC(C)(C)O[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043088201 174963321 /nfs/dbraw/zinc/96/33/21/174963321.db2.gz RHEPPPYJYGYXHJ-MFKMUULPSA-N 1 0 255.789 3.934 10 0 CHAERO COc1ccccc1[C@H](C[NH3+])Sc1ccccc1C ZINC000043101758 174968015 /nfs/dbraw/zinc/96/80/15/174968015.db2.gz YIYQYZLLVRTHSX-INIZCTEOSA-N 1 0 273.401 3.796 10 0 CHAERO COc1ccc(S[C@H](c2cccs2)[C@@H](C)[NH3+])cc1 ZINC000043112985 174975030 /nfs/dbraw/zinc/97/50/30/174975030.db2.gz CBJXSNKIFAMSBN-YGRLFVJLSA-N 1 0 279.430 3.937 10 0 CHAERO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(OC(C)C)ccc21 ZINC000043460372 175051054 /nfs/dbraw/zinc/05/10/54/175051054.db2.gz FHSDXXMOQUUGOI-CQSZACIVSA-N 1 0 263.381 3.686 10 0 CHAERO Nc1cc[nH+]c(Nc2ccc(Cl)c(Cl)c2)c1 ZINC000043568656 175067328 /nfs/dbraw/zinc/06/73/28/175067328.db2.gz IKXAQWQKRLGKCW-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO CCC[NH2+][C@H](C)CCc1cc(Br)cs1 ZINC000043688040 175094872 /nfs/dbraw/zinc/09/48/72/175094872.db2.gz HQUMNEDHZLCXBJ-SECBINFHSA-N 1 0 276.243 3.831 10 0 CHAERO [NH3+][C@H]1CCCCC[C@@H]1Cc1cc(Br)cs1 ZINC000043688136 175095402 /nfs/dbraw/zinc/09/54/02/175095402.db2.gz PSKFMFIBBNDGHB-SKDRFNHKSA-N 1 0 288.254 3.961 10 0 CHAERO CCCOc1ccc([C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121852 175143358 /nfs/dbraw/zinc/14/33/58/175143358.db2.gz NEEWLURPUDEZLZ-RLFYNMQTSA-N 1 0 291.435 3.772 10 0 CHAERO CCc1ccc([C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121767 175143388 /nfs/dbraw/zinc/14/33/88/175143388.db2.gz MZZKKHLYXMKTQV-JKIFEVAISA-N 1 0 261.409 3.545 10 0 CHAERO CCCn1cc(C[NH2+]CCCOCC)c2ccccc21 ZINC000045945213 175387858 /nfs/dbraw/zinc/38/78/58/175387858.db2.gz TYILKUQDYRVHFV-UHFFFAOYSA-N 1 0 274.408 3.568 10 0 CHAERO CC[NH2+]C[C@](C)(CC)O[C@H]1CCCc2ccccc21 ZINC000051958621 175528763 /nfs/dbraw/zinc/52/87/63/175528763.db2.gz IMVYQGKORKLHMV-IRXDYDNUSA-N 1 0 261.409 3.859 10 0 CHAERO CC(C)C[NH2+]C[C@]1(CCC(C)(C)C)CCCOC1 ZINC000062229776 175666481 /nfs/dbraw/zinc/66/64/81/175666481.db2.gz FFTTZJLJMKWUJT-MRXNPFEDSA-N 1 0 255.446 3.855 10 0 CHAERO CCC[C@@H]1CC[C@@H]([NH3+])[C@H](Oc2cc(F)ccc2F)C1 ZINC000071167615 176049496 /nfs/dbraw/zinc/04/94/96/176049496.db2.gz ASMVVCLUYCSAFB-WDBKCZKBSA-N 1 0 269.335 3.640 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@H](CC)Oc1cc(F)ccc1F ZINC000071167420 176049586 /nfs/dbraw/zinc/04/95/86/176049586.db2.gz CLTJLOCUUJOILF-KBPBESRZSA-N 1 0 271.351 3.900 10 0 CHAERO COc1ccc(C2CC([NH2+][C@H]3CCC[C@H]3C)C2)cc1 ZINC000071206342 176080157 /nfs/dbraw/zinc/08/01/57/176080157.db2.gz DVQKIYMCRFUJHZ-CRELMNQXSA-N 1 0 259.393 3.719 10 0 CHAERO CC[C@@H](NC1=[NH+]C[C@@H](C2CC2)S1)c1ccccc1 ZINC000071307935 176116096 /nfs/dbraw/zinc/11/60/96/176116096.db2.gz BZNPZKUJENBAEN-KGLIPLIRSA-N 1 0 260.406 3.609 10 0 CHAERO CC[C@@H](NC1=[NH+]C[C@H](C2CC2)S1)c1ccccc1 ZINC000071307931 176116517 /nfs/dbraw/zinc/11/65/17/176116517.db2.gz BZNPZKUJENBAEN-ZIAGYGMSSA-N 1 0 260.406 3.609 10 0 CHAERO CCOc1ccc(C[NH2+]C(C)(C)C)cc1C(F)(F)F ZINC000071398800 176151892 /nfs/dbraw/zinc/15/18/92/176151892.db2.gz HNWMYXQIHMXLKR-UHFFFAOYSA-N 1 0 275.314 3.992 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2cc3cc(C)ccc3o2)cc1 ZINC000071406811 176156099 /nfs/dbraw/zinc/15/60/99/176156099.db2.gz HNWVKWLPPKSENB-QGZVFWFLSA-N 1 0 267.328 3.798 10 0 CHAERO CCN(c1ccccc1)c1ccc(CCC[NH3+])cc1 ZINC000071575932 176203210 /nfs/dbraw/zinc/20/32/10/176203210.db2.gz DBWHKMJURHYWIB-UHFFFAOYSA-N 1 0 254.377 3.736 10 0 CHAERO CCc1ccccc1Oc1ccc(CCC[NH3+])cc1 ZINC000071576735 176204738 /nfs/dbraw/zinc/20/47/38/176204738.db2.gz BPCZUCDNUHXVRD-UHFFFAOYSA-N 1 0 255.361 3.933 10 0 CHAERO Cc1ccc(C(C)(C)C)cc1[C@H](OCC[NH3+])C1CC1 ZINC000071587978 176215663 /nfs/dbraw/zinc/21/56/63/176215663.db2.gz KPEAIXFSZIYZIJ-MRXNPFEDSA-N 1 0 261.409 3.719 10 0 CHAERO CC(C)COc1ccc(CC2(C[NH3+])CCCC2)cc1 ZINC000071588015 176215790 /nfs/dbraw/zinc/21/57/90/176215790.db2.gz XVGKCKAMEDQWDV-UHFFFAOYSA-N 1 0 261.409 3.783 10 0 CHAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@H]2c1ccco1 ZINC000071633542 176238118 /nfs/dbraw/zinc/23/81/18/176238118.db2.gz JVNJDTWOCGUNEW-QGZVFWFLSA-N 1 0 283.371 3.793 10 0 CHAERO COc1ccc([C@@H]2[NH2+]CC(C)(C)c3cc(OC)ccc32)cc1 ZINC000071652002 176241654 /nfs/dbraw/zinc/24/16/54/176241654.db2.gz COTCOLAHSGCODS-SFHVURJKSA-N 1 0 297.398 3.674 10 0 CHAERO FC(F)(F)c1ccc(-c2cnc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000072363368 176377903 /nfs/dbraw/zinc/37/79/03/176377903.db2.gz GVRTYUCUVNBLJP-LBPRGKRZSA-N 1 0 293.292 3.587 10 0 CHAERO [NH3+][C@@H]1CCC[C@@H](c2cc(Br)ccc2F)C1 ZINC000076413291 177021229 /nfs/dbraw/zinc/02/12/29/177021229.db2.gz BWCSQNGOMJYASN-PSASIEDQSA-N 1 0 272.161 3.573 10 0 CHAERO CC(C)C1CC(C[NH3+])(c2cccc(Br)c2)C1 ZINC000076480170 177026263 /nfs/dbraw/zinc/02/62/63/177026263.db2.gz VQXFABBPHGASCB-UHFFFAOYSA-N 1 0 282.225 3.712 10 0 CHAERO CC[N@H+](CC[C@H]1NCCc2ccccc21)Cc1ccccc1 ZINC000076565512 177039418 /nfs/dbraw/zinc/03/94/18/177039418.db2.gz BMJIWWJJMXCFCB-HXUWFJFHSA-N 1 0 294.442 3.786 10 0 CHAERO CCc1ccc([C@H](CC[NH3+])Cc2ccccc2)cc1 ZINC000076657727 177047196 /nfs/dbraw/zinc/04/71/96/177047196.db2.gz XYRJFOSJKBMQNK-GOSISDBHSA-N 1 0 253.389 3.924 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccccc1F)c1ccccc1 ZINC000076664551 177050446 /nfs/dbraw/zinc/05/04/46/177050446.db2.gz PLWNAWXZXGFNGQ-OAHLLOKOSA-N 1 0 257.352 3.891 10 0 CHAERO CCCOc1ccc([C@H](C[NH3+])c2cccs2)cc1 ZINC000076673015 177054851 /nfs/dbraw/zinc/05/48/51/177054851.db2.gz HXILRDGWYKLYOS-AWEZNQCLSA-N 1 0 261.390 3.628 10 0 CHAERO CCSc1ccc([C@H](CC[NH3+])c2ccccn2)cc1 ZINC000076715404 177068431 /nfs/dbraw/zinc/06/84/31/177068431.db2.gz MGSCLZKAGYRSFQ-HNNXBMFYSA-N 1 0 272.417 3.674 10 0 CHAERO CCSc1ccc([C@H](CC[NH3+])c2cccnc2)cc1 ZINC000076715412 177068635 /nfs/dbraw/zinc/06/86/35/177068635.db2.gz PDHMZTNIMZCJTK-INIZCTEOSA-N 1 0 272.417 3.674 10 0 CHAERO CC[NH2+][C@H](C)c1csc(-c2cccc(F)c2)n1 ZINC000076784541 177091802 /nfs/dbraw/zinc/09/18/02/177091802.db2.gz MDNAHEVHMBQLBS-SECBINFHSA-N 1 0 250.342 3.620 10 0 CHAERO C[C@@H]([NH3+])c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000076784721 177092466 /nfs/dbraw/zinc/09/24/66/177092466.db2.gz PKSCZLCSMAAICM-SSDOTTSWSA-N 1 0 272.295 3.849 10 0 CHAERO CCOc1ccc([C@H]([NH3+])c2c(C)oc(C)c2C)cc1 ZINC000077088660 177212392 /nfs/dbraw/zinc/21/23/92/177212392.db2.gz KDFNEZNDTPVIHS-INIZCTEOSA-N 1 0 259.349 3.652 10 0 CHAERO COc1ccc([C@H](C)CC[NH2+]C2CC2)cc1Cl ZINC000077607509 177284356 /nfs/dbraw/zinc/28/43/56/177284356.db2.gz HZMGCAMLXKOTNF-SNVBAGLBSA-N 1 0 253.773 3.594 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]CCCCc2ccccc2)o1 ZINC000220899335 260140912 /nfs/dbraw/zinc/14/09/12/260140912.db2.gz DKJAOWUFAZOASW-CQSZACIVSA-N 1 0 258.365 3.657 10 0 CHAERO CCCOc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070153 260151616 /nfs/dbraw/zinc/15/16/16/260151616.db2.gz JPGIPNBISJHCRV-QGZVFWFLSA-N 1 0 283.371 3.699 10 0 CHAERO C[NH+](C)C[C@H](NCc1ccsc1Cl)c1ccccc1 ZINC000312634922 260186046 /nfs/dbraw/zinc/18/60/46/260186046.db2.gz XYPFKXOSXQEBRP-AWEZNQCLSA-N 1 0 294.851 3.794 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(C(C)C)CC2)c1C ZINC000090230442 260240020 /nfs/dbraw/zinc/24/00/20/260240020.db2.gz WASJCJDWFGFQJZ-GFCCVEGCSA-N 1 0 263.429 3.607 10 0 CHAERO CCn1cccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091024562 260265173 /nfs/dbraw/zinc/26/51/73/260265173.db2.gz TYZKCHSQDFBNAO-QGZVFWFLSA-N 1 0 254.377 3.749 10 0 CHAERO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1cccc(Cl)c1 ZINC000040502212 260285456 /nfs/dbraw/zinc/28/54/56/260285456.db2.gz UYRGJSREFPIZBL-JKSUJKDBSA-N 1 0 280.843 3.865 10 0 CHAERO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)cn1 ZINC000128966686 260380519 /nfs/dbraw/zinc/38/05/19/260380519.db2.gz XHXACURZQUVWKM-MRXNPFEDSA-N 1 0 282.387 3.782 10 0 CHAERO C[C@H](C(=O)Nc1cccc(Cl)c1)[C@@H]([NH3+])c1ccccc1 ZINC000130059200 260392213 /nfs/dbraw/zinc/39/22/13/260392213.db2.gz YCGVQNKZECLDSJ-XHDPSFHLSA-N 1 0 288.778 3.615 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C)c1C ZINC000045171499 260650377 /nfs/dbraw/zinc/65/03/77/260650377.db2.gz RUHAWOSHVJZHPM-CYBMUJFWSA-N 1 0 271.408 3.679 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]Cc1ccnn1C)c1ccccc1 ZINC000175173164 261210925 /nfs/dbraw/zinc/21/09/25/261210925.db2.gz LDVZPCCDRIIZGP-IBGZPJMESA-N 1 0 291.398 3.608 10 0 CHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000106206191 261322849 /nfs/dbraw/zinc/32/28/49/261322849.db2.gz MTVYBEISADLFIA-GOSISDBHSA-N 1 0 297.446 3.991 10 0 CHAERO C[C@H]([NH3+])c1nc(-c2cccc(Br)c2)cs1 ZINC000003708692 261331658 /nfs/dbraw/zinc/33/16/58/261331658.db2.gz DXJUVRTXAWWUTB-ZETCQYMHSA-N 1 0 283.194 3.592 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(C)CCCC2)c1C ZINC000108941324 261390052 /nfs/dbraw/zinc/39/00/52/261390052.db2.gz PMIFULRMIWACNB-LBPRGKRZSA-N 1 0 263.429 3.751 10 0 CHAERO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000186420543 262092765 /nfs/dbraw/zinc/09/27/65/262092765.db2.gz RFCLROLSERSZHV-ZNMIVQPWSA-N 1 0 292.448 3.509 10 0 CHAERO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)c(C)o1 ZINC000119419332 262162260 /nfs/dbraw/zinc/16/22/60/262162260.db2.gz FHJYLFGZRRMCKC-GHMZBOCLSA-N 1 0 262.328 3.842 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(OC)c1)C(C)C ZINC000212737877 262174108 /nfs/dbraw/zinc/17/41/08/262174108.db2.gz OZHHFOKRBVTFAQ-BXUZGUMPSA-N 1 0 253.361 3.920 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)C1CCCC1 ZINC000390601189 262226738 /nfs/dbraw/zinc/22/67/38/262226738.db2.gz XJXLISFJCIIABW-LSDHHAIUSA-N 1 0 261.409 3.760 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000221721183 262292300 /nfs/dbraw/zinc/29/23/00/262292300.db2.gz OFTBBFGUTGVSDL-JKIFEVAISA-N 1 0 272.436 3.525 10 0 CHAERO C[C@H](CCCC[NH3+])Nc1ncc(C(F)(F)F)cc1Cl ZINC000311503426 262337226 /nfs/dbraw/zinc/33/72/26/262337226.db2.gz XLPQFVLAHSKMQU-MRVPVSSYSA-N 1 0 295.736 3.683 10 0 CHAERO [NH3+]CCC[C@H](Nc1ccncc1Cl)c1ccccc1 ZINC000312043621 262346631 /nfs/dbraw/zinc/34/66/31/262346631.db2.gz XSTKHDDWMMLUGL-AWEZNQCLSA-N 1 0 275.783 3.627 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)[C@H](C)O1 ZINC000414279549 262835170 /nfs/dbraw/zinc/83/51/70/262835170.db2.gz JMHXZFJJDAKFNH-MRLBHPIUSA-N 1 0 253.430 3.604 10 0 CHAERO C[C@@H](CO)[C@H](C)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000125415556 264007421 /nfs/dbraw/zinc/00/74/21/264007421.db2.gz ZRFQIUOAMPAGBS-UWVGGRQHSA-N 1 0 298.308 3.682 10 0 CHAERO COc1cnccc1[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000189547955 264306693 /nfs/dbraw/zinc/30/66/93/264306693.db2.gz JLVJGNSSEOKXQK-ROKHWSDSSA-N 1 0 262.397 3.567 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000093585357 265186798 /nfs/dbraw/zinc/18/67/98/265186798.db2.gz VZBRBOIAYCNREY-CJNGLKHVSA-N 1 0 297.801 3.606 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000093586104 265188428 /nfs/dbraw/zinc/18/84/28/265188428.db2.gz JVACXMVHWYMFKQ-CJNGLKHVSA-N 1 0 297.801 3.606 10 0 CHAERO c1ccc2c(c1)CCC[C@@H]2[C@H]1CCC[N@H+]1Cc1cncnc1 ZINC000361155936 266793281 /nfs/dbraw/zinc/79/32/81/266793281.db2.gz YBKZLZWYWZKOBJ-RBUKOAKNSA-N 1 0 293.414 3.561 10 0 CHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000119280383 267314660 /nfs/dbraw/zinc/31/46/60/267314660.db2.gz UYRFLFZVSFHQQB-INIZCTEOSA-N 1 0 275.440 3.754 10 0 CHAERO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C1CCOCC1 ZINC000222132314 268047476 /nfs/dbraw/zinc/04/74/76/268047476.db2.gz QDVXQJVWZBVRTA-VWDMACCTSA-N 1 0 293.838 3.991 10 0 CHAERO CC[C@H](C)N(CC)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054902940 523935089 /nfs/dbraw/zinc/93/50/89/523935089.db2.gz CUHUDABNYIMTIH-NSHDSACASA-N 1 0 269.458 3.656 10 0 CHAERO CN1C(=O)C[C@H]([NH2+][C@H]2CCCCC2(C)C)c2ccccc21 ZINC000094323022 327703475 /nfs/dbraw/zinc/70/34/75/327703475.db2.gz FJORMDOVTFDRDG-HOCLYGCPSA-N 1 0 286.419 3.653 10 0 CHAERO CCN1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000040501966 327907542 /nfs/dbraw/zinc/90/75/42/327907542.db2.gz KCDMUGUZPUJFOG-KRWDZBQOSA-N 1 0 274.452 3.558 10 0 CHAERO Clc1cccc(C2CC([NH2+][C@@H]3CCCOCC3)C2)c1 ZINC000312025370 327926967 /nfs/dbraw/zinc/92/69/67/327926967.db2.gz LZSPMLBIBLEMCT-OGVSOVDVSA-N 1 0 279.811 3.745 10 0 CHAERO Cc1cc(OCC[NH2+][C@H](C)[C@H]2CCCO2)ccc1C(C)C ZINC000047943966 327944480 /nfs/dbraw/zinc/94/44/80/327944480.db2.gz YDEKWLOOFHUYNQ-CRAIPNDOSA-N 1 0 291.435 3.654 10 0 CHAERO CCOC[C@@H](C)[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156739569 328291132 /nfs/dbraw/zinc/29/11/32/328291132.db2.gz JVZXWACBIVSUDN-CZUORRHYSA-N 1 0 261.409 3.715 10 0 CHAERO COC(=O)CCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037417070 326851171 /nfs/dbraw/zinc/85/11/71/326851171.db2.gz UHHXFENIBWJUDV-CYBMUJFWSA-N 1 0 277.408 3.588 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC2CC(C)(C)C2)c1C ZINC000584091777 326945879 /nfs/dbraw/zinc/94/58/79/326945879.db2.gz SRYSGCZBZSSQCK-NSHDSACASA-N 1 0 263.429 3.607 10 0 CHAERO CC(C)c1ccc([C@H](C)NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000262019012 327007888 /nfs/dbraw/zinc/00/78/88/327007888.db2.gz YJYAEWFJMXHKQG-RRQGHBQHSA-N 1 0 288.435 3.505 10 0 CHAERO CCc1csc([C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000092789082 327195322 /nfs/dbraw/zinc/19/53/22/327195322.db2.gz VNPUQDJWRACFNL-NSHDSACASA-N 1 0 293.461 3.542 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000167301126 331308216 /nfs/dbraw/zinc/30/82/16/331308216.db2.gz WLPFTEUBDPKWED-NZXMKCKXSA-N 1 0 256.176 3.979 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000070345857 328608108 /nfs/dbraw/zinc/60/81/08/328608108.db2.gz GFIBLULGPDEMFT-MJVIPROJSA-N 1 0 253.773 3.558 10 0 CHAERO C=Cn1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)cn1 ZINC000194178857 329066491 /nfs/dbraw/zinc/06/64/91/329066491.db2.gz AHCIXGCTPYAMJZ-AWEZNQCLSA-N 1 0 277.371 3.988 10 0 CHAERO CC(C)c1noc(CN2CC=C(c3cccs3)CC2)n1 ZINC000172194411 329082104 /nfs/dbraw/zinc/08/21/04/329082104.db2.gz WOHAQLJLDOZCEA-UHFFFAOYSA-N 1 0 289.404 3.544 10 0 CHAERO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000393641918 329088173 /nfs/dbraw/zinc/08/81/73/329088173.db2.gz XXOGXPUEUDBZLK-SOUVJXGZSA-N 1 0 269.473 3.978 10 0 CHAERO Cc1cccc([C@@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000173606016 329149836 /nfs/dbraw/zinc/14/98/36/329149836.db2.gz DNEBHZKUMWPYEW-CQSZACIVSA-N 1 0 269.392 3.659 10 0 CHAERO C[C@@H]([NH2+][C@@H](c1ccncc1)c1ccc(F)cc1)C1CC1 ZINC000177313151 329185888 /nfs/dbraw/zinc/18/58/88/329185888.db2.gz XDZPPKCGPYWFBN-SJKOYZFVSA-N 1 0 270.351 3.698 10 0 CHAERO CCCCCC(C)(C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000177643483 329188554 /nfs/dbraw/zinc/18/85/54/329188554.db2.gz MUHODWYAXFHRMI-UHFFFAOYSA-N 1 0 294.483 3.680 10 0 CHAERO c1[nH]c([C@@H]2CCC[N@@H+](C3CCC3)C2)nc1-c1ccccc1 ZINC000179574955 329209663 /nfs/dbraw/zinc/20/96/63/329209663.db2.gz CHCPZEFPGAHFOI-OAHLLOKOSA-N 1 0 281.403 3.809 10 0 CHAERO Clc1ccccc1OC1CC[NH+](C2CCC2)CC1 ZINC000179557760 329209686 /nfs/dbraw/zinc/20/96/86/329209686.db2.gz WVWGJIPUWIQZCY-UHFFFAOYSA-N 1 0 265.784 3.736 10 0 CHAERO Cc1nc(CC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cs1 ZINC000221823307 329218551 /nfs/dbraw/zinc/21/85/51/329218551.db2.gz LVTHARABYSFOOW-RISCZKNCSA-N 1 0 266.454 3.798 10 0 CHAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000181889302 329238392 /nfs/dbraw/zinc/23/83/92/329238392.db2.gz HZORSAGPUDEGPM-ZDUSSCGKSA-N 1 0 279.380 3.538 10 0 CHAERO Cc1cccc(N2CCC([NH2+][C@H](C)CCC3CC3)CC2)n1 ZINC000186343285 329343342 /nfs/dbraw/zinc/34/33/42/329343342.db2.gz RCGLAMZGPZKGJF-OAHLLOKOSA-N 1 0 287.451 3.527 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F)o1 ZINC000229604713 329356673 /nfs/dbraw/zinc/35/66/73/329356673.db2.gz XYDBFVFXAYYBGO-WPRPVWTQSA-N 1 0 264.291 3.755 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)c2ccc(C)cc2)o1 ZINC000187493893 329358285 /nfs/dbraw/zinc/35/82/85/329358285.db2.gz PUAMAISEVCKOID-CQSZACIVSA-N 1 0 271.360 3.820 10 0 CHAERO Cc1nocc1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000397933149 329421497 /nfs/dbraw/zinc/42/14/97/329421497.db2.gz VQJHOXZCYGCVDQ-INIZCTEOSA-N 1 0 256.349 3.540 10 0 CHAERO CCCCCC[C@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129411161 329617523 /nfs/dbraw/zinc/61/75/23/329617523.db2.gz OIZBAZNDPQEHAV-ONYGOOLBSA-N 1 0 294.483 3.772 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(F)cc(F)c1 ZINC000248760640 329898788 /nfs/dbraw/zinc/89/87/88/329898788.db2.gz VYRDOYULOPHTPQ-MZORAGNBSA-N 1 0 293.357 3.573 10 0 CHAERO CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262236545 330002236 /nfs/dbraw/zinc/00/22/36/330002236.db2.gz QZHUEUPJUNJHIZ-CYBMUJFWSA-N 1 0 288.435 3.727 10 0 CHAERO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)[C@@H]1CCCO1 ZINC000036845119 330294392 /nfs/dbraw/zinc/29/43/92/330294392.db2.gz BVNZZHVZAYRVBM-WIRQWFGLSA-N 1 0 279.811 3.743 10 0 CHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H](C)c1ccccc1 ZINC000116878933 330361142 /nfs/dbraw/zinc/36/11/42/330361142.db2.gz XQMCNYUPZDKABI-KDOFPFPSSA-N 1 0 297.446 3.978 10 0 CHAERO CC(C)c1ccc2[nH]c(C(F)(F)F)c(CC[NH3+])c2c1 ZINC000536960216 330384063 /nfs/dbraw/zinc/38/40/63/330384063.db2.gz OCQRFWZXTFSVTO-UHFFFAOYSA-N 1 0 270.298 3.811 10 0 CHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000120443805 330387921 /nfs/dbraw/zinc/38/79/21/330387921.db2.gz ASQQQNZGEXFRAF-JBLDHEPKSA-N 1 0 255.308 3.655 10 0 CHAERO CCCn1ccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000091009130 330397806 /nfs/dbraw/zinc/39/78/06/330397806.db2.gz UDDVPDAXXMKLNO-UHFFFAOYSA-N 1 0 262.784 3.841 10 0 CHAERO Cn1nccc1C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000092810319 330414127 /nfs/dbraw/zinc/41/41/27/330414127.db2.gz MIPHXPHXOGUUFH-UHFFFAOYSA-N 1 0 295.386 3.546 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000149770460 330577912 /nfs/dbraw/zinc/57/79/12/330577912.db2.gz PWHSRTBVZSDXFN-RDDDGLTNSA-N 1 0 274.589 3.601 10 0 CHAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000152323433 330631723 /nfs/dbraw/zinc/63/17/23/330631723.db2.gz GPGAWPKJIBJXJR-SWLSCSKDSA-N 1 0 275.417 3.542 10 0 CHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438190031 330719288 /nfs/dbraw/zinc/71/92/88/330719288.db2.gz UYFRMIMDOYXNLU-CHWFTXMASA-N 1 0 267.360 3.591 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc2c(s1)CCCC2 ZINC000156375576 330731004 /nfs/dbraw/zinc/73/10/04/330731004.db2.gz IIJBTSSYKCZKNK-CFVMTHIKSA-N 1 0 293.476 3.829 10 0 CHAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000165231706 331306076 /nfs/dbraw/zinc/30/60/76/331306076.db2.gz MKQFDXIYMHYDQE-CQSZACIVSA-N 1 0 290.451 3.752 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(Cl)c2cccnc12)[C@H]1CCCO1 ZINC000166403323 331307183 /nfs/dbraw/zinc/30/71/83/331307183.db2.gz GZZKKHPDMLLXGN-IAQYHMDHSA-N 1 0 290.794 3.545 10 0 CHAERO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000466409352 331395296 /nfs/dbraw/zinc/39/52/96/331395296.db2.gz LCKQPGBBEKDBNA-RBGFHDKUSA-N 1 0 253.430 3.606 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000466408051 331395559 /nfs/dbraw/zinc/39/55/59/331395559.db2.gz FAZRHPUICMXSJN-VXGBXAGGSA-N 1 0 267.800 3.633 10 0 CHAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466423415 331396389 /nfs/dbraw/zinc/39/63/89/331396389.db2.gz CTADPVOSDFWKCO-UXXRCYHCSA-N 1 0 253.430 3.604 10 0 CHAERO Cc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000466426248 331396583 /nfs/dbraw/zinc/39/65/83/331396583.db2.gz SKUUODZGHNOORC-MIFYACCESA-N 1 0 261.409 3.597 10 0 CHAERO Cc1cc(C[C@H](C)[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)[nH]n1 ZINC000249119777 334328261 /nfs/dbraw/zinc/32/82/61/334328261.db2.gz PFFIXPLYFSHPOU-WBAXXEDZSA-N 1 0 297.446 3.650 10 0 CHAERO c1c2ccccc2oc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000178518939 333074696 /nfs/dbraw/zinc/07/46/96/333074696.db2.gz UAXRPYWKBRNBAC-RDJZCZTQSA-N 1 0 271.360 3.576 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CC(C)C)C12CCOCC2 ZINC000186418079 333160422 /nfs/dbraw/zinc/16/04/22/333160422.db2.gz ZCYMPUPECZZIKR-JKSUJKDBSA-N 1 0 297.483 3.623 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000222154990 333175852 /nfs/dbraw/zinc/17/58/52/333175852.db2.gz DKODTWZHVACREC-CFVMTHIKSA-N 1 0 275.392 3.687 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000222243956 333178392 /nfs/dbraw/zinc/17/83/92/333178392.db2.gz AIWIULVTGSARGM-GJZGRUSLSA-N 1 0 267.457 3.998 10 0 CHAERO CC(C)[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccccc1Cl ZINC000189330737 333190576 /nfs/dbraw/zinc/19/05/76/333190576.db2.gz BJGAESGDMACVMC-XEZPLFJOSA-N 1 0 281.827 3.788 10 0 CHAERO CC(C)COc1ccc([C@@H](C)NCc2ccno2)cc1 ZINC000223894066 333213000 /nfs/dbraw/zinc/21/30/00/333213000.db2.gz VEDXGMLMXTWWKH-CYBMUJFWSA-N 1 0 274.364 3.560 10 0 CHAERO CCCC1CCC([NH2+][C@@H](C)c2ncc(C)o2)CC1 ZINC000227556579 333285714 /nfs/dbraw/zinc/28/57/14/333285714.db2.gz PBQMPUXMLBDWQX-HSBZDZAISA-N 1 0 250.386 3.993 10 0 CHAERO [NH3+]CC1(CC(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000229397158 333304556 /nfs/dbraw/zinc/30/45/56/333304556.db2.gz VNWPYAQNPHHMHU-UHFFFAOYSA-N 1 0 280.799 3.578 10 0 CHAERO COCCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230864007 333322097 /nfs/dbraw/zinc/32/20/97/333322097.db2.gz NTVKEMSFBOGBRB-ZIAGYGMSSA-N 1 0 255.446 3.854 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@H](C)Cc2ccc(Cl)cc2)o1 ZINC000231901085 333331749 /nfs/dbraw/zinc/33/17/49/333331749.db2.gz DNQQVYHARBIPQI-PWSUYJOCSA-N 1 0 278.783 3.918 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC2CCCC2)cc1F ZINC000232133319 333334435 /nfs/dbraw/zinc/33/44/35/333334435.db2.gz VWBXNVQZVLBGCH-XJKSGUPXSA-N 1 0 279.399 3.726 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000232716509 333341162 /nfs/dbraw/zinc/34/11/62/333341162.db2.gz DNHPELSKSLGVQB-BFHYXJOUSA-N 1 0 250.386 3.848 10 0 CHAERO Clc1cnccc1CN1CCC[C@@H]1c1ccco1 ZINC000173758278 335140004 /nfs/dbraw/zinc/14/00/04/335140004.db2.gz OQPOEHUSLHCDQX-CYBMUJFWSA-N 1 0 262.740 3.665 10 0 CHAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCSc1ccccc1 ZINC000037904171 333542675 /nfs/dbraw/zinc/54/26/75/333542675.db2.gz OORGWYRRSHURNM-INIZCTEOSA-N 1 0 285.412 3.761 10 0 CHAERO O[C@H]1CCCC[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000129413006 333762795 /nfs/dbraw/zinc/76/27/95/333762795.db2.gz KIXHXBQCFSMLMO-HOCLYGCPSA-N 1 0 265.441 3.630 10 0 CHAERO CCC[C@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000131095834 333899793 /nfs/dbraw/zinc/89/97/93/333899793.db2.gz RCHYECIEDKNCDS-BDAKNGLRSA-N 1 0 294.197 3.944 10 0 CHAERO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000132872933 334008424 /nfs/dbraw/zinc/00/84/24/334008424.db2.gz NLUOPVQNJGHPIG-DLBZAZTESA-N 1 0 295.430 3.885 10 0 CHAERO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000135144575 334117589 /nfs/dbraw/zinc/11/75/89/334117589.db2.gz ZLNZIIFUROXOSS-TZMCWYRMSA-N 1 0 285.362 3.825 10 0 CHAERO C[C@@H]([NH2+]CC(C)(C)O)c1c(Cl)ccc(F)c1Cl ZINC000078514755 334135048 /nfs/dbraw/zinc/13/50/48/334135048.db2.gz JWJWYKRUGNYIKZ-SSDOTTSWSA-N 1 0 280.170 3.554 10 0 CHAERO CCC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000135666129 334135677 /nfs/dbraw/zinc/13/56/77/334135677.db2.gz XYTVDKKUHTURPV-BBWFWOEESA-N 1 0 261.409 3.811 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)C1 ZINC000080429148 334171367 /nfs/dbraw/zinc/17/13/67/334171367.db2.gz PSFZYWFXIDBBQK-NVXWUHKLSA-N 1 0 272.436 3.608 10 0 CHAERO CCSc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000245682658 334212065 /nfs/dbraw/zinc/21/20/65/334212065.db2.gz SDVPMCNAAIDBPM-VBNZEHGJSA-N 1 0 279.449 3.753 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccncc1)[C@H](C)C2 ZINC000245691049 334212884 /nfs/dbraw/zinc/21/28/84/334212884.db2.gz KJPFPMRCFVQLKU-HBUWYVDXSA-N 1 0 266.388 3.974 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@H]2CCCC23CCCC3)C[C@@H](C)O1 ZINC000550795178 334228670 /nfs/dbraw/zinc/22/86/70/334228670.db2.gz CGZOIFRCYAZRJB-FMKPAKJESA-N 1 0 265.441 3.893 10 0 CHAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000246583745 334264722 /nfs/dbraw/zinc/26/47/22/334264722.db2.gz YUQUBJCZKCFXNY-SOUVJXGZSA-N 1 0 292.471 3.521 10 0 CHAERO CC[C@H](c1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248130024 334295310 /nfs/dbraw/zinc/29/53/10/334295310.db2.gz OICYNJLSJIXJRK-RCCFBDPRSA-N 1 0 273.420 3.765 10 0 CHAERO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248163779 334296155 /nfs/dbraw/zinc/29/61/55/334296155.db2.gz SPBZVUQUJGWHQE-BQFCYCMXSA-N 1 0 273.420 3.683 10 0 CHAERO COC[C@@H]([NH2+][C@H]1CCCCc2ccccc21)C(C)C ZINC000086695351 334314760 /nfs/dbraw/zinc/31/47/60/334314760.db2.gz DYDYVCZTTFCZBR-DLBZAZTESA-N 1 0 261.409 3.715 10 0 CHAERO COC[C@H]([NH2+][C@H]1CCCCc2ccccc21)C(C)C ZINC000086695356 334315153 /nfs/dbraw/zinc/31/51/53/334315153.db2.gz DYDYVCZTTFCZBR-IRXDYDNUSA-N 1 0 261.409 3.715 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2(C)C)C12CCOCC2 ZINC000249016584 334324618 /nfs/dbraw/zinc/32/46/18/334324618.db2.gz PRYNMGUDCVPYBQ-HRCADAONSA-N 1 0 295.467 3.519 10 0 CHAERO C[C@@H]([NH2+]CCCc1nc2ccccc2n1C)C1CCCC1 ZINC000090050325 334356287 /nfs/dbraw/zinc/35/62/87/334356287.db2.gz FNXJGUMROIQAEZ-CQSZACIVSA-N 1 0 285.435 3.674 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000251759330 334369044 /nfs/dbraw/zinc/36/90/44/334369044.db2.gz VCPOBSZTLXFLKZ-SUYBPPKGSA-N 1 0 274.408 3.874 10 0 CHAERO C[C@H]([NH2+]C1(C)CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156965554 334755161 /nfs/dbraw/zinc/75/51/61/334755161.db2.gz RIFXITMZVKSFDU-UONOGXRCSA-N 1 0 296.455 3.554 10 0 CHAERO CCc1ccc(C[NH2+][C@H](C)c2cccc(C)c2)nc1 ZINC000380903714 336038918 /nfs/dbraw/zinc/03/89/18/336038918.db2.gz NPGGMSPOZQOOEW-CQSZACIVSA-N 1 0 254.377 3.803 10 0 CHAERO CC[C@@H]([NH2+][C@@H](CC(C)C)CN(C)C)c1ccsc1 ZINC000382130139 336082513 /nfs/dbraw/zinc/08/25/13/336082513.db2.gz OLUPQCJFQXZHIE-LSDHHAIUSA-N 1 0 268.470 3.765 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC000383549532 336113755 /nfs/dbraw/zinc/11/37/55/336113755.db2.gz SEBIWVXQHZFLLO-FGTMMUONSA-N 1 0 279.468 3.972 10 0 CHAERO C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000384803566 336131478 /nfs/dbraw/zinc/13/14/78/336131478.db2.gz YZEZOQRWJRMIMR-QLFBSQMISA-N 1 0 255.446 3.590 10 0 CHAERO CSCC1CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000385444154 336146401 /nfs/dbraw/zinc/14/64/01/336146401.db2.gz RLDDMIVUVZGJLR-SSDMNJCBSA-N 1 0 277.433 3.632 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@H]1C ZINC000385966435 336163528 /nfs/dbraw/zinc/16/35/28/336163528.db2.gz ONOZFOVZWAXALP-PAPYEOQZSA-N 1 0 259.393 3.923 10 0 CHAERO CC(C)CCC[C@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601258 519646119 /nfs/dbraw/zinc/64/61/19/519646119.db2.gz KBIDDHOBQLJGTF-SOUVJXGZSA-N 1 0 251.414 3.787 10 0 CHAERO CCC[NH2+]CC1(CC2CCOCC2)CCCCC1 ZINC000054654934 519908768 /nfs/dbraw/zinc/90/87/68/519908768.db2.gz RAKBVZFGCZDXGR-UHFFFAOYSA-N 1 0 253.430 3.753 10 0 CHAERO CCC[NH2+]CC1(O[C@H]2CCCC[C@H]2C)CCCC1 ZINC000050491408 519911379 /nfs/dbraw/zinc/91/13/79/519911379.db2.gz QVLPTFVVBSYANG-CABCVRRESA-N 1 0 253.430 3.894 10 0 CHAERO CCC[NH2+]C[C@@H]1CCN(c2cccc(Cl)c2Cl)C1 ZINC000053013035 519925406 /nfs/dbraw/zinc/92/54/06/519925406.db2.gz GVSSFOJOMPUNNY-NSHDSACASA-N 1 0 287.234 3.819 10 0 CHAERO CCC[NH2+]C[C@@](C)(CC)CN(CC(F)(F)F)C(C)C ZINC000051250253 519929227 /nfs/dbraw/zinc/92/92/27/519929227.db2.gz VJGIEPVWOALCRO-CYBMUJFWSA-N 1 0 282.394 3.675 10 0 CHAERO CCC[NH2+]Cc1nc(CN(C)[C@@H](C)C(C)(C)C)cs1 ZINC000052504221 519965665 /nfs/dbraw/zinc/96/56/65/519965665.db2.gz VILXCLNGZOUHNK-LBPRGKRZSA-N 1 0 283.485 3.509 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccccc2C)nc1C ZINC000052330462 519972308 /nfs/dbraw/zinc/97/23/08/519972308.db2.gz APROYMWVJWTHQO-UHFFFAOYSA-N 1 0 260.406 3.927 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1CC ZINC000054995317 519975625 /nfs/dbraw/zinc/97/56/25/519975625.db2.gz DRUNTYPOROTJTQ-GFCCVEGCSA-N 1 0 281.469 3.584 10 0 CHAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000062237969 520012704 /nfs/dbraw/zinc/01/27/04/520012704.db2.gz RRXCRWHBSSODDM-ZBFHGGJFSA-N 1 0 281.827 3.677 10 0 CHAERO CC[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1C(C)(C)C ZINC000054995304 520032817 /nfs/dbraw/zinc/03/28/17/520032817.db2.gz LEYYKPSGCKOGPG-GFCCVEGCSA-N 1 0 295.496 3.929 10 0 CHAERO CC[NH2+]Cc1sc(N(C)[C@H](C)C(C)(C)C)nc1CC ZINC000054998640 520033041 /nfs/dbraw/zinc/03/30/41/520033041.db2.gz MAMFKSHULHXHIC-LLVKDONJSA-N 1 0 283.485 3.686 10 0 CHAERO CCC[NH2+][C@H]1CCC[C@H]1CN(C)c1ccc(C)cc1 ZINC000053874086 520091937 /nfs/dbraw/zinc/09/19/37/520091937.db2.gz ZYBIJSJOIGHNME-RDJZCZTQSA-N 1 0 260.425 3.600 10 0 CHAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCC(C)(C)CC1 ZINC000061819717 520770350 /nfs/dbraw/zinc/77/03/50/520770350.db2.gz SXXJSYLVEDWYKN-HUUCEWRRSA-N 1 0 254.462 3.665 10 0 CHAERO CCCN(CC(F)(F)F)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052503967 521586378 /nfs/dbraw/zinc/58/63/78/521586378.db2.gz GJAFEXJEXVMIFQ-ZDUSSCGKSA-N 1 0 282.394 3.531 10 0 CHAERO CC[C@H](C[NH2+]C(C)C)N(C)Cc1cccc(Cl)c1 ZINC000052507964 522189254 /nfs/dbraw/zinc/18/92/54/522189254.db2.gz GCUBNDCJRQHFQM-OAHLLOKOSA-N 1 0 268.832 3.548 10 0 CHAERO CC[C@@H](C)[NH2+]CCN(C)[C@@H](C)c1ccccc1Cl ZINC000062018726 522228180 /nfs/dbraw/zinc/22/81/80/522228180.db2.gz ZTRZFRVODGVBON-OLZOCXBDSA-N 1 0 268.832 3.721 10 0 CHAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000049345986 522377364 /nfs/dbraw/zinc/37/73/64/522377364.db2.gz YNKHFKDGFQCYPY-QMTHXVAHSA-N 1 0 255.764 3.800 10 0 CHAERO CC(C)(C)CC(C)(C)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601247 518626057 /nfs/dbraw/zinc/62/60/57/518626057.db2.gz SEYLIFAKTVSGRE-BETUJISGSA-N 1 0 251.414 3.787 10 0 CHAERO CC(C)(C)[NH2+]C[C@@H]1C[C@]1(C)c1ccc(F)c(F)c1 ZINC000054597199 518760739 /nfs/dbraw/zinc/76/07/39/518760739.db2.gz IXVUKJMOPVYUFO-XHDPSFHLSA-N 1 0 253.336 3.631 10 0 CHAERO CC(C)(C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000057394837 518765850 /nfs/dbraw/zinc/76/58/50/518765850.db2.gz XIMHSBHWPNAAMV-UHFFFAOYSA-N 1 0 270.376 3.549 10 0 CHAERO CC(C)C[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1N ZINC000050443175 519309997 /nfs/dbraw/zinc/30/99/97/519309997.db2.gz NCHSLKDJKXVVQK-NSHDSACASA-N 1 0 254.805 3.789 10 0 CHAERO CC(C)C[C@H](C)OCc1ccoc1C[NH2+]C(C)C ZINC000052603394 519324313 /nfs/dbraw/zinc/32/43/13/519324313.db2.gz OHDYGMALOAOMIB-ZDUSSCGKSA-N 1 0 253.386 3.729 10 0 CHAERO CC(C)C[C@H]1[NH2+]CC[C@H]1c1ccc(OC(F)F)cc1 ZINC000054929075 519419672 /nfs/dbraw/zinc/41/96/72/519419672.db2.gz PDMHBIGGTUDGDB-UONOGXRCSA-N 1 0 269.335 3.780 10 0 CHAERO CC(C)CCCOCc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052630259 519642717 /nfs/dbraw/zinc/64/27/17/519642717.db2.gz SBJRAYQFSPAEEY-UHFFFAOYSA-N 1 0 268.401 3.516 10 0 CHAERO CC(C)CC[NH2+]CCn1cc(Cl)c2ccccc21 ZINC000055310897 519662362 /nfs/dbraw/zinc/66/23/62/519662362.db2.gz DAQNCBSVAWUJMX-UHFFFAOYSA-N 1 0 264.800 3.930 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCCCN1Cc1ccc(Cl)s1 ZINC000053651504 519723082 /nfs/dbraw/zinc/72/30/82/519723082.db2.gz PBEOPMAFZWKFLU-LBPRGKRZSA-N 1 0 286.872 3.754 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000053010993 519723398 /nfs/dbraw/zinc/72/33/98/519723398.db2.gz HGNPSANXCSYDCD-LBPRGKRZSA-N 1 0 286.341 3.530 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2ccccc2C(C)C)C1 ZINC000053011051 519723419 /nfs/dbraw/zinc/72/34/19/519723419.db2.gz PEOHTOTWWSEFOS-HNNXBMFYSA-N 1 0 260.425 3.634 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1CCN(c2cccc3ccccc32)C1 ZINC000053010604 519744949 /nfs/dbraw/zinc/74/49/49/519744949.db2.gz YLYWUSKEXPFRGO-INIZCTEOSA-N 1 0 282.431 3.912 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054597688 519746409 /nfs/dbraw/zinc/74/64/09/519746409.db2.gz DIJGSIPPFFTXPG-TZMCWYRMSA-N 1 0 269.335 3.637 10 0 CHAERO CC(C)C[NH2+]Cc1ccccc1N(C)[C@H](C)C(C)C ZINC000062736044 519747774 /nfs/dbraw/zinc/74/77/74/519747774.db2.gz XPRQQLUTFLTLOL-OAHLLOKOSA-N 1 0 262.441 3.913 10 0 CHAERO CC(C)CO[C@]1(C[NH2+]C(C)(C)C)CCC[C@H](C)C1 ZINC000050504366 519761895 /nfs/dbraw/zinc/76/18/95/519761895.db2.gz MUGQABZXOFMYMP-GOEBONIOSA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)Oc1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070162 519783236 /nfs/dbraw/zinc/78/32/36/519783236.db2.gz KPLCMYLQTIWXAG-KRWDZBQOSA-N 1 0 283.371 3.697 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000049195323 519793695 /nfs/dbraw/zinc/79/36/95/519793695.db2.gz WDYDDGFVSJOEBQ-CQSZACIVSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](c1cccs1)C(C)C ZINC000049198484 519794010 /nfs/dbraw/zinc/79/40/10/519794010.db2.gz RWDFQAHBXLMPPS-HIFRSBDPSA-N 1 0 268.470 3.621 10 0 CHAERO CC(C)[C@@H]([NH3+])c1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000054556842 519796485 /nfs/dbraw/zinc/79/64/85/519796485.db2.gz FIHWUUOEKCBLHZ-ZWNOBZJWSA-N 1 0 252.427 3.560 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCC[NH2+]C1CC1 ZINC000052625304 519803295 /nfs/dbraw/zinc/80/32/95/519803295.db2.gz MZXKSENTOWDLPQ-VNQPRFMTSA-N 1 0 253.430 3.606 10 0 CHAERO CC(C)[C@@H]1CN(Cc2ccc(Cl)cc2)[C@@H](C(C)C)C[NH2+]1 ZINC000062708911 519804577 /nfs/dbraw/zinc/80/45/77/519804577.db2.gz GMEHMNFWDHCHBB-DLBZAZTESA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)[C@@H](C(C)C)CN1 ZINC000062668251 519804595 /nfs/dbraw/zinc/80/45/95/519804595.db2.gz VDQIOPDCNGLGQG-RYQLBKOJSA-N 1 0 274.452 3.702 10 0 CHAERO CC(C)[C@@H]1CN(Cc2cccc(Cl)c2)[C@@H](C(C)C)C[NH2+]1 ZINC000062708904 519804658 /nfs/dbraw/zinc/80/46/58/519804658.db2.gz SWNZTZRSZJEQEM-DLBZAZTESA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@H](C)[NH2+]CCO[C@@H]1CCCc2ccccc21 ZINC000053559262 519813052 /nfs/dbraw/zinc/81/30/52/519813052.db2.gz VNIQGGLACCZTQL-WMLDXEAASA-N 1 0 261.409 3.715 10 0 CHAERO CC(C)[C@H](C[NH2+]C(C)(C)C)Oc1ccc(F)cc1 ZINC000052667593 519815896 /nfs/dbraw/zinc/81/58/96/519815896.db2.gz QUFUWDSVXVUKLS-AWEZNQCLSA-N 1 0 253.361 3.617 10 0 CHAERO CC(C)[C@H]1C[N@H+](C2CCCCC2)[C@H](c2ccccc2)CN1 ZINC000062673058 519826586 /nfs/dbraw/zinc/82/65/86/519826586.db2.gz YQIMQFTVUJJCKW-MOPGFXCFSA-N 1 0 286.463 3.990 10 0 CHAERO CC(C)[C@H]1C[N@H+](CCCc2ccccc2)[C@@H](C(C)C)CN1 ZINC000062705147 519826627 /nfs/dbraw/zinc/82/66/27/519826627.db2.gz PYHNPUXPPOMURA-RTBURBONSA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H](C)C(C)C)cc1 ZINC000236658216 519839358 /nfs/dbraw/zinc/83/93/58/519839358.db2.gz DXKJMRLPJINORI-YOEHRIQHSA-N 1 0 290.451 3.608 10 0 CHAERO CC(C)c1csc([C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000156521773 519856685 /nfs/dbraw/zinc/85/66/85/519856685.db2.gz CBRZDNSWNYQARW-CYBMUJFWSA-N 1 0 264.438 3.856 10 0 CHAERO CCOCCC[NH2+]C[C@H](C)S[C@@H]1CCC[C@H](C)C1 ZINC000054696625 519897082 /nfs/dbraw/zinc/89/70/82/519897082.db2.gz ADKKEHMESNLRAW-SOUVJXGZSA-N 1 0 273.486 3.703 10 0 CHAERO CCC[NH2+]CC1(CCOCC(F)(F)F)CCCCC1 ZINC000054654942 519910378 /nfs/dbraw/zinc/91/03/78/519910378.db2.gz NZHHOZOFWSAUJP-UHFFFAOYSA-N 1 0 281.362 3.906 10 0 CHAERO CC[NH2+]CC(CC)(CC)Cc1cc(C)ccc1OC ZINC000054658561 519911543 /nfs/dbraw/zinc/91/15/43/519911543.db2.gz JLZQYALGKWDIJX-UHFFFAOYSA-N 1 0 263.425 3.962 10 0 CHAERO CC[NH2+]CCCCCO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629440 519919221 /nfs/dbraw/zinc/91/92/21/519919221.db2.gz MEOQEANFZSVOOB-GJZGRUSLSA-N 1 0 255.446 3.998 10 0 CHAERO CCC[NH2+]C[C@@H](CC)N1c2ccccc2CC[C@@H]1C ZINC000052416989 519921028 /nfs/dbraw/zinc/92/10/28/519921028.db2.gz GUYYBSQVOYHBIZ-GOEBONIOSA-N 1 0 260.425 3.606 10 0 CHAERO CCC[NH2+]C[C@@H](OCC(F)(F)F)c1cccc(Cl)c1 ZINC000050502291 519921749 /nfs/dbraw/zinc/92/17/49/519921749.db2.gz DMFKOGBIBYCTIR-GFCCVEGCSA-N 1 0 295.732 3.960 10 0 CHAERO CCC[NH2+]C[C@@]1(OCC(F)(F)F)CCC[C@H](C)C1 ZINC000050504884 519928720 /nfs/dbraw/zinc/92/87/20/519928720.db2.gz HNBAWDABDBKEDC-NWDGAFQWSA-N 1 0 267.335 3.514 10 0 CHAERO CCC[NH2+]C[C@H](OCC(F)(F)F)c1ccccc1C ZINC000050502219 519933272 /nfs/dbraw/zinc/93/32/72/519933272.db2.gz ZJDYOLKQAKURCM-ZDUSSCGKSA-N 1 0 275.314 3.615 10 0 CHAERO CCC[NH2+]C[C@H](CCCOC)Cc1ccccc1Cl ZINC000052979626 519933516 /nfs/dbraw/zinc/93/35/16/519933516.db2.gz QXSDTDYRPNWYMA-CQSZACIVSA-N 1 0 283.843 3.925 10 0 CHAERO CCC[NH2+]C[C@H]1CCN(c2cc(Cl)cc(Cl)c2)C1 ZINC000053010731 519936021 /nfs/dbraw/zinc/93/60/21/519936021.db2.gz PLYBMUZEELBIPI-LLVKDONJSA-N 1 0 287.234 3.819 10 0 CHAERO CC[NH2+]C[C@H](CCCOCC(F)(F)F)CC(C)C ZINC000052968080 519971730 /nfs/dbraw/zinc/97/17/30/519971730.db2.gz YSMWDCWYFVDTHQ-GFCCVEGCSA-N 1 0 269.351 3.617 10 0 CHAERO CC[NH2+]C[C@H](Cc1ccco1)Cc1cccc(C)c1 ZINC000062102889 519973310 /nfs/dbraw/zinc/97/33/10/519973310.db2.gz BQVHAJAVONJZBC-INIZCTEOSA-N 1 0 257.377 3.599 10 0 CHAERO CCC[NH2+]Cc1sc(N(CC)[C@H](C)CC)nc1C ZINC000054996921 519974607 /nfs/dbraw/zinc/97/46/07/519974607.db2.gz FYNJKPIPHFWQOI-LLVKDONJSA-N 1 0 269.458 3.576 10 0 CHAERO CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H](C)CC ZINC000050423636 519990621 /nfs/dbraw/zinc/99/06/21/519990621.db2.gz SGQVMEWFSUNFNB-NSHDSACASA-N 1 0 255.789 3.874 10 0 CHAERO CC[NH2+]Cc1ccc(OC[C@@H](C)CC)c(Cl)c1 ZINC000050424069 520000097 /nfs/dbraw/zinc/00/00/97/520000097.db2.gz BDGQFZJHUZQDJZ-NSHDSACASA-N 1 0 255.789 3.874 10 0 CHAERO CCC[NH2+][C@@H](CSC)Cc1c(C)cc(C)cc1C ZINC000054496610 520011040 /nfs/dbraw/zinc/01/10/40/520011040.db2.gz MWPFMHXGWGBASW-OAHLLOKOSA-N 1 0 265.466 3.886 10 0 CHAERO CCC[NH2+][C@@H](c1ccccn1)c1cc(C)ccc1C ZINC000053303302 520017481 /nfs/dbraw/zinc/01/74/81/520017481.db2.gz LUFVGKNLDZFSCW-QGZVFWFLSA-N 1 0 254.377 3.787 10 0 CHAERO CCC[NH2+][C@@H]1CCCc2nc(N(C)[C@@H](C)CC)sc21 ZINC000054902733 520021762 /nfs/dbraw/zinc/02/17/62/520021762.db2.gz QYXMMJOSEZGTOR-NWDGAFQWSA-N 1 0 281.469 3.755 10 0 CHAERO CCC[NH2+][C@H](CC(F)(F)F)c1cc(F)cc(F)c1 ZINC000055225666 520066973 /nfs/dbraw/zinc/06/69/73/520066973.db2.gz YLEBFEVNNPQTIT-LLVKDONJSA-N 1 0 267.241 3.958 10 0 CHAERO CCCCCC[N@@H+]1C[C@H](C)NC[C@@H]1c1ccccc1 ZINC000062657398 520079901 /nfs/dbraw/zinc/07/99/01/520079901.db2.gz QALXEBRFMFPQJU-DOTOQJQBSA-N 1 0 260.425 3.602 10 0 CHAERO CCC[NH2+][C@H](COC1CCC1)c1cc(C)ccc1C ZINC000050520302 520082424 /nfs/dbraw/zinc/08/24/24/520082424.db2.gz YMVUHUBHZVUGDE-QGZVFWFLSA-N 1 0 261.409 3.913 10 0 CHAERO CCC[NH2+][C@H](Cc1ccc(F)cc1F)CC(F)(F)F ZINC000050886191 520086327 /nfs/dbraw/zinc/08/63/27/520086327.db2.gz UYGSWUMJJDWQOQ-LLVKDONJSA-N 1 0 281.268 3.828 10 0 CHAERO CCC[NH2+][C@H](Cc1cc(C)ccc1OC)C(C)(C)C ZINC000050706841 520087254 /nfs/dbraw/zinc/08/72/54/520087254.db2.gz PSBWIEVADUTFCD-MRXNPFEDSA-N 1 0 263.425 3.960 10 0 CHAERO CCC[NH2+][C@H]1CCCC[C@@H]1CCOCCC(C)C ZINC000049267275 520092024 /nfs/dbraw/zinc/09/20/24/520092024.db2.gz ZSTWBMNVEOJNTL-CVEARBPZSA-N 1 0 255.446 3.998 10 0 CHAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H](C)OC1CCC1 ZINC000050519710 520109950 /nfs/dbraw/zinc/10/99/50/520109950.db2.gz MULDBZBELJTTDS-CXAGYDPISA-N 1 0 261.409 3.857 10 0 CHAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H](C)OC1CCC1 ZINC000050519712 520110672 /nfs/dbraw/zinc/11/06/72/520110672.db2.gz MULDBZBELJTTDS-SUMWQHHRSA-N 1 0 261.409 3.857 10 0 CHAERO CC[NH2+][C@@H](c1nc(C)cs1)c1ccccc1CC ZINC000052204748 520113926 /nfs/dbraw/zinc/11/39/26/520113926.db2.gz FOGZGAZFMJHDSP-CQSZACIVSA-N 1 0 260.406 3.713 10 0 CHAERO CCCCCC[C@H](C)[NH2+]CCCOCC(F)(F)F ZINC000049312467 520130174 /nfs/dbraw/zinc/13/01/74/520130174.db2.gz OPDDYGCLSXULPN-LBPRGKRZSA-N 1 0 269.351 3.904 10 0 CHAERO CCCCCC[C@H](C)O[C@H](C)C[NH2+]CCCOCC ZINC000053569424 520132254 /nfs/dbraw/zinc/13/22/54/520132254.db2.gz JHIFZZOHSBOBAK-JKSUJKDBSA-N 1 0 273.461 3.767 10 0 CHAERO CC[NH2+][C@H](C)c1sc(N(CC)CC(F)(F)F)nc1C ZINC000054906077 520182672 /nfs/dbraw/zinc/18/26/72/520182672.db2.gz QOFNBQYSUGKJSF-MRVPVSSYSA-N 1 0 295.374 3.511 10 0 CHAERO CC[NH2+][C@H](Cc1csc(C)n1)C1CCCCC1 ZINC000055295482 520204848 /nfs/dbraw/zinc/20/48/48/520204848.db2.gz LWHILYZVYGYAPY-CQSZACIVSA-N 1 0 252.427 3.552 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc2ncccc2c1 ZINC000061414457 520212583 /nfs/dbraw/zinc/21/25/83/520212583.db2.gz MLLACYRXUIWYAP-INIZCTEOSA-N 1 0 268.385 3.995 10 0 CHAERO CC[NH2+][C@H]1c2ccccc2CCC[C@H]1OC1CCC1 ZINC000050519878 520222285 /nfs/dbraw/zinc/22/22/85/520222285.db2.gz XZBXPCKWXMTXEA-SJORKVTESA-N 1 0 259.393 3.611 10 0 CHAERO CCCCCO[C@H](C[NH2+]CC)c1ccccc1F ZINC000050500960 520248677 /nfs/dbraw/zinc/24/86/77/520248677.db2.gz PGDZNDCIXJCVCW-OAHLLOKOSA-N 1 0 253.361 3.683 10 0 CHAERO CCNc1ccc(Cl)c(C[N@H+](C)[C@@H](C)C(C)C)n1 ZINC000061631334 520307760 /nfs/dbraw/zinc/30/77/60/520307760.db2.gz VSLWXINWIWONLE-NSHDSACASA-N 1 0 269.820 3.643 10 0 CHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1ccccn1 ZINC000126152915 520412496 /nfs/dbraw/zinc/41/24/96/520412496.db2.gz XZLMBVOKRFWJSF-KRWDZBQOSA-N 1 0 266.388 3.885 10 0 CHAERO CCCOc1ccc([C@@]2(C)C[C@@H]2C[NH2+]C(C)C)cc1 ZINC000054595297 520423866 /nfs/dbraw/zinc/42/38/66/520423866.db2.gz YSRPJSSWHJQISS-NVXWUHKLSA-N 1 0 261.409 3.751 10 0 CHAERO CCCOc1ccc([C@@]2(C)C[C@H]2C[NH2+]C2CC2)cc1 ZINC000054596289 520424625 /nfs/dbraw/zinc/42/46/25/520424625.db2.gz PAHHHIWOWOXBMC-WMLDXEAASA-N 1 0 259.393 3.505 10 0 CHAERO CCCCN(C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]CC ZINC000054554771 520433744 /nfs/dbraw/zinc/43/37/44/520433744.db2.gz QCYJLIWAVRXMSW-OWCLPIDISA-N 1 0 254.462 3.521 10 0 CHAERO CC1(C)CN(Cc2ccccc2)[C@H](c2ccccc2)C[NH2+]1 ZINC000062671213 520483875 /nfs/dbraw/zinc/48/38/75/520483875.db2.gz XYQFTPQKBPBGCL-SFHVURJKSA-N 1 0 280.415 3.612 10 0 CHAERO CC1(C)CSC(N[C@H]2CCCc3sccc32)=[NH+]1 ZINC000061365197 520515521 /nfs/dbraw/zinc/51/55/21/520515521.db2.gz NMMYLHUYNKKBNJ-JTQLQIEISA-N 1 0 266.435 3.597 10 0 CHAERO CCOc1c(Br)cccc1C[NH2+]C(C)(C)C ZINC000062733483 520593318 /nfs/dbraw/zinc/59/33/18/520593318.db2.gz WOCJDODWWHFNMM-UHFFFAOYSA-N 1 0 286.213 3.736 10 0 CHAERO CCCC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062668305 520598280 /nfs/dbraw/zinc/59/82/80/520598280.db2.gz LVYWDELALFJLSA-QZTJIDSGSA-N 1 0 274.452 3.848 10 0 CHAERO CCC[C@@H](C)C[C@@H](C[NH2+]C)Cc1ccccc1OC ZINC000052980173 520636271 /nfs/dbraw/zinc/63/62/71/520636271.db2.gz HVYQDLFNIUGFER-HUUCEWRRSA-N 1 0 263.425 3.900 10 0 CHAERO CCCCOCC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000049261920 520783828 /nfs/dbraw/zinc/78/38/28/520783828.db2.gz OWVULYOSLWNUMD-UHFFFAOYSA-N 1 0 290.234 3.942 10 0 CHAERO CCC[C@@](C)(CCCOCC(F)(F)F)C[NH2+]CC ZINC000054656694 520909130 /nfs/dbraw/zinc/90/91/30/520909130.db2.gz YYWZKLRPHMVOPZ-LBPRGKRZSA-N 1 0 269.351 3.761 10 0 CHAERO CC1CCC(N(C)c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062794147 520936882 /nfs/dbraw/zinc/93/68/82/520936882.db2.gz XNILHIXDHVAOFL-UHFFFAOYSA-N 1 0 279.815 3.639 10 0 CHAERO CC1CCC(OCC[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000053551910 520961874 /nfs/dbraw/zinc/96/18/74/520961874.db2.gz ATXVDMKXQKTHDE-GYTBAZASSA-N 1 0 253.430 3.750 10 0 CHAERO CCC[C@H](C)COc1ccc([C@H](C)[NH3+])cc1OC ZINC000051297221 521020662 /nfs/dbraw/zinc/02/06/62/521020662.db2.gz PTVJWSCAJHJTKF-RYUDHWBXSA-N 1 0 251.370 3.530 10 0 CHAERO CCC[C@H](C)[NH2+]C[C@@H](C)N1CCCc2ccccc21 ZINC000053487459 521061223 /nfs/dbraw/zinc/06/12/23/521061223.db2.gz DULQSBUFRGEKGM-LSDHHAIUSA-N 1 0 260.425 3.606 10 0 CHAERO CCC[C@H](C[NH2+]C1CC1)Cc1cc(F)ccc1F ZINC000052970543 521101030 /nfs/dbraw/zinc/10/10/30/521101030.db2.gz XDGVILZJDUWYCY-NSHDSACASA-N 1 0 253.336 3.676 10 0 CHAERO CCCC[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000050041314 521215509 /nfs/dbraw/zinc/21/55/09/521215509.db2.gz UTJYENHADIHSDH-LBPRGKRZSA-N 1 0 256.187 3.509 10 0 CHAERO CCN(c1nc(C)c([C@H](C)[NH3+])s1)c1ccc(C)cc1 ZINC000054897230 521506109 /nfs/dbraw/zinc/50/61/09/521506109.db2.gz SUYPYGKWKNPSIY-NSHDSACASA-N 1 0 275.421 3.938 10 0 CHAERO CCC(CC)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000153909247 521522586 /nfs/dbraw/zinc/52/25/86/521522586.db2.gz ORQCPABSNJBWSF-OAHLLOKOSA-N 1 0 263.429 3.610 10 0 CHAERO CCC(CC)CN(CC)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788884 521522839 /nfs/dbraw/zinc/52/28/39/521522839.db2.gz NNZXWXCZLGIRIJ-UHFFFAOYSA-N 1 0 281.831 3.887 10 0 CHAERO CC[C@H](C)OCc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052669348 521755275 /nfs/dbraw/zinc/75/52/75/521755275.db2.gz PVFSJIPGUQDGBG-ZDUSSCGKSA-N 1 0 253.386 3.649 10 0 CHAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)o1 ZINC000037772175 522034347 /nfs/dbraw/zinc/03/43/47/522034347.db2.gz BCBBXRBZOQEJAI-ZDUSSCGKSA-N 1 0 287.359 3.534 10 0 CHAERO CC[C@H](C)c1ccccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628254 522043147 /nfs/dbraw/zinc/04/31/47/522043147.db2.gz YWBJHPMHEPLIIN-AVOUXACISA-N 1 0 258.409 3.659 10 0 CHAERO C[NH2+]Cc1nc(CO[C@@H]2C[C@H](C)CC(C)(C)C2)cs1 ZINC000052629090 522152411 /nfs/dbraw/zinc/15/24/11/522152411.db2.gz FMMKTQROGGQUFX-WCQYABFASA-N 1 0 282.453 3.594 10 0 CHAERO CC[C@@H](C)[NH2+]CC[C@@H](O)c1c(C)c(C)cc(C)c1C ZINC000049855069 522228509 /nfs/dbraw/zinc/22/85/09/522228509.db2.gz LKSSMZALJKCUNO-CZUORRHYSA-N 1 0 263.425 3.732 10 0 CHAERO CC[C@@H](C)Oc1c(C[NH2+]CC(C)C)cccc1OC ZINC000062732285 522256557 /nfs/dbraw/zinc/25/65/57/522256557.db2.gz SMALYNJLYMIGTI-CYBMUJFWSA-N 1 0 265.397 3.618 10 0 CHAERO C[NH2+][C@@H](c1cc(Cl)ccc1OC)C1CCCC1 ZINC000055225248 522367453 /nfs/dbraw/zinc/36/74/53/522367453.db2.gz MBUQOSVZRJXENY-CQSZACIVSA-N 1 0 253.773 3.799 10 0 CHAERO CCc1nc([C@H]([NH2+]C)c2ccccc2CC)sc1C ZINC000052204725 522457385 /nfs/dbraw/zinc/45/73/85/522457385.db2.gz NBEXMQVYLMODKP-OAHLLOKOSA-N 1 0 274.433 3.885 10 0 CHAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(F)cc1C ZINC000055228328 522472635 /nfs/dbraw/zinc/47/26/35/522472635.db2.gz RSSROVDSNQPEBG-QGZVFWFLSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCCCO1 ZINC000050961745 522477999 /nfs/dbraw/zinc/47/79/99/522477999.db2.gz ANQVGJOLCXCKKJ-CHWSQXEVSA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C(C)(C)C ZINC000061703633 522485397 /nfs/dbraw/zinc/48/53/97/522485397.db2.gz GNIOFPNKGXNTQB-LLVKDONJSA-N 1 0 261.287 3.892 10 0 CHAERO CC[C@@H](C[NH2+]C)Oc1ccccc1-c1ccccc1 ZINC000052651094 522545999 /nfs/dbraw/zinc/54/59/99/522545999.db2.gz RAIZIRGRHJZFJY-HNNXBMFYSA-N 1 0 255.361 3.730 10 0 CHAERO CC[C@@H](C[NH2+]CC(C)C)N(Cc1cccs1)C(C)C ZINC000052544941 522548321 /nfs/dbraw/zinc/54/83/21/522548321.db2.gz IATKFLMAULEISF-HNNXBMFYSA-N 1 0 282.497 3.983 10 0 CHAERO CC[C@@H](N)[C@@H](c1sccc1C)[NH+]1CCC(C)(C)CC1 ZINC000061818482 522651117 /nfs/dbraw/zinc/65/11/17/522651117.db2.gz VSDBSRNBNWPCMY-KGLIPLIRSA-N 1 0 280.481 3.957 10 0 CHAERO CC[C@@H]([NH2+]Cc1ccccc1OC)c1cccs1 ZINC000020087208 522883452 /nfs/dbraw/zinc/88/34/52/522883452.db2.gz RFJMWJQLVKPWPI-CYBMUJFWSA-N 1 0 261.390 3.998 10 0 CHAERO CC[C@H]1CCCC[C@@H]1OCc1cc(C)c(C[NH3+])o1 ZINC000052621885 523049698 /nfs/dbraw/zinc/04/96/98/523049698.db2.gz TZSBUWYSPNCQPP-JSGCOSHPSA-N 1 0 251.370 3.532 10 0 CHAERO CC[C@@H](c1ccccc1)[NH+]1CCC(c2nncn2CC)CC1 ZINC000105928575 523098628 /nfs/dbraw/zinc/09/86/28/523098628.db2.gz ZPHMRRXFFFBQGW-KRWDZBQOSA-N 1 0 298.434 3.629 10 0 CHAERO CC[C@@H]1CCC(=O)[C@@H](C[NH+]2CCCCCCC2)C1 ZINC000053925967 523140838 /nfs/dbraw/zinc/14/08/38/523140838.db2.gz JXJASHUILCVBPI-HUUCEWRRSA-N 1 0 251.414 3.648 10 0 CHAERO COCCC[NH2+]CCSc1cc(Cl)ccc1Cl ZINC000049750670 523372245 /nfs/dbraw/zinc/37/22/45/523372245.db2.gz BBVJSVAVUJKTMR-UHFFFAOYSA-N 1 0 294.247 3.712 10 0 CHAERO CC[C@@](C)(C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000054661352 523640794 /nfs/dbraw/zinc/64/07/94/523640794.db2.gz SKXUWIJOVCTHDR-OAHLLOKOSA-N 1 0 253.336 3.676 10 0 CHAERO CCc1c(C)nn(-c2ccc([C@H](C)[NH3+])cc2Cl)c1C ZINC000061698444 523713974 /nfs/dbraw/zinc/71/39/74/523713974.db2.gz VPVKTIXRUFEDME-VIFPVBQESA-N 1 0 277.799 3.725 10 0 CHAERO CC[C@H](C)COc1ccc2ccccc2c1C[NH2+]C ZINC000050423935 523888679 /nfs/dbraw/zinc/88/86/79/523888679.db2.gz UOJNJNOBCHHFAR-ZDUSSCGKSA-N 1 0 257.377 3.984 10 0 CHAERO COc1ccc(CC(C)(C)C[NH2+]C(C)(C)C)cc1F ZINC000054638404 523914491 /nfs/dbraw/zinc/91/44/91/523914491.db2.gz UUAPHUCVWRVWOG-UHFFFAOYSA-N 1 0 267.388 3.791 10 0 CHAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCCCCO)o1 ZINC000130974976 524035218 /nfs/dbraw/zinc/03/52/18/524035218.db2.gz ORUFCXCIWGKZQG-HNNXBMFYSA-N 1 0 265.397 3.532 10 0 CHAERO COc1ccc(C[NH2+]CC(C)C)c(OC/C=C/Cl)c1 ZINC000062733214 524069371 /nfs/dbraw/zinc/06/93/71/524069371.db2.gz AXXRZASKLXPENW-QPJJXVBHSA-N 1 0 283.799 3.572 10 0 CHAERO Cc1ccc2sc(CC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000050927843 524100003 /nfs/dbraw/zinc/10/00/03/524100003.db2.gz RPQNTKFRBGBHBZ-LBPRGKRZSA-N 1 0 260.406 3.679 10 0 CHAERO C[C@@H]1CCCC[C@@]1([NH3+])Cc1c(F)cccc1Cl ZINC000049346441 524152047 /nfs/dbraw/zinc/15/20/47/524152047.db2.gz RBYKDTMKTGGJFS-QMTHXVAHSA-N 1 0 255.764 3.929 10 0 CHAERO C[C@H](CC[NH2+]C(C)(C)C)N(Cc1ccsc1)C1CC1 ZINC000052542179 524191223 /nfs/dbraw/zinc/19/12/23/524191223.db2.gz DHHMEPRHWKXOBA-CYBMUJFWSA-N 1 0 280.481 3.879 10 0 CHAERO C[C@H]1CCC[C@H](Sc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000054691418 524212575 /nfs/dbraw/zinc/21/25/75/524212575.db2.gz HBRNTMDKBJANNE-ONGXEEELSA-N 1 0 266.385 3.781 10 0 CHAERO COc1ccc(Cl)cc1C[C@@H]([NH3+])Cc1cccs1 ZINC000060706613 524212662 /nfs/dbraw/zinc/21/26/62/524212662.db2.gz XWLDHBSORJRPOU-GFCCVEGCSA-N 1 0 281.808 3.523 10 0 CHAERO C[C@H]1CCC[C@]([NH3+])(Cc2c(F)cccc2Cl)C1 ZINC000049346414 524225671 /nfs/dbraw/zinc/22/56/71/524225671.db2.gz NAUPBKJRNJRIDC-IINYFYTJSA-N 1 0 255.764 3.929 10 0 CHAERO C[C@@H]1CCC[N@H+]([C@@H](CC(N)=S)c2ccccc2)[C@@H]1C ZINC000055025467 524244391 /nfs/dbraw/zinc/24/43/91/524244391.db2.gz JKLDGKGVKOZQFI-NFAWXSAZSA-N 1 0 276.449 3.524 10 0 CHAERO COc1ccc(Cl)cc1[C@H]1CCCCC[C@H]1C[NH3+] ZINC000062664097 524254432 /nfs/dbraw/zinc/25/44/32/524254432.db2.gz IUZCXCCBZWXJTP-AAEUAGOBSA-N 1 0 267.800 3.971 10 0 CHAERO COc1ccc(Cl)cc1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000062625201 524254918 /nfs/dbraw/zinc/25/49/18/524254918.db2.gz MJAGKKLSNXCPBT-CMPLNLGQSA-N 1 0 253.773 3.581 10 0 CHAERO Cc1cc(C)c([C@H](O)C[N@@H+]2CCCC2(C)C)c(C)c1 ZINC000063072476 524335243 /nfs/dbraw/zinc/33/52/43/524335243.db2.gz HQVSALOCXFDOFB-OAHLLOKOSA-N 1 0 261.409 3.520 10 0 CHAERO Cc1cccc(C[NH2+][C@H]2COc3ccccc32)c1C ZINC000070070336 524440056 /nfs/dbraw/zinc/44/00/56/524440056.db2.gz VUAVDPXHHMTYLS-INIZCTEOSA-N 1 0 253.345 3.527 10 0 CHAERO COc1ccccc1N[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000057593834 524648097 /nfs/dbraw/zinc/64/80/97/524648097.db2.gz RMILVSZUVMZJNT-KRWDZBQOSA-N 1 0 284.403 3.931 10 0 CHAERO COc1ccc(NCC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000052205188 524678097 /nfs/dbraw/zinc/67/80/97/524678097.db2.gz KIDHDAWMCABJDI-CYBMUJFWSA-N 1 0 282.815 3.635 10 0 CHAERO Cc1ccc(C[C@H]([NH3+])C(C)(C)c2ccccc2)cc1 ZINC000062773130 524684970 /nfs/dbraw/zinc/68/49/70/524684970.db2.gz GYTUTONNXIVNMG-KRWDZBQOSA-N 1 0 253.389 3.843 10 0 CHAERO Cc1cccc(N[C@H](C[NH3+])c2ccccc2Cl)c1 ZINC000057547767 524697228 /nfs/dbraw/zinc/69/72/28/524697228.db2.gz YBNVNEIQBKQZKG-OAHLLOKOSA-N 1 0 260.768 3.760 10 0 CHAERO C[C@@H](C[NH2+]C1CCCC1)N(C)Cc1ccccc1Cl ZINC000053498483 524736673 /nfs/dbraw/zinc/73/66/73/524736673.db2.gz FFFGGOVAEKHCNB-ZDUSSCGKSA-N 1 0 280.843 3.693 10 0 CHAERO COc1ccccc1[C@H]([NH3+])Cc1cc(C)ccc1C ZINC000049257932 524792621 /nfs/dbraw/zinc/79/26/21/524792621.db2.gz UOMYPBJXPLBVLT-MRXNPFEDSA-N 1 0 255.361 3.555 10 0 CHAERO Cc1ccc(F)c(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000037374300 524823945 /nfs/dbraw/zinc/82/39/45/524823945.db2.gz JACZBHKJENCPAG-UHFFFAOYSA-N 1 0 285.366 3.610 10 0 CHAERO C[C@H]([NH3+])c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000052924075 524865353 /nfs/dbraw/zinc/86/53/53/524865353.db2.gz VYWIHDPGAJETTF-QMMMGPOBSA-N 1 0 255.239 3.985 10 0 CHAERO Cc1ccc(N(C)CCCCC[NH2+]C(C)C)c(C)c1 ZINC000052544393 524886288 /nfs/dbraw/zinc/88/62/88/524886288.db2.gz IDLOMKJTVRGQTR-UHFFFAOYSA-N 1 0 262.441 3.908 10 0 CHAERO C[C@@H]([NH3+])Cc1ccc(-c2cccc3c2CCCC3)o1 ZINC000062770195 524999681 /nfs/dbraw/zinc/99/96/81/524999681.db2.gz XHLKOCIYEFAERG-GFCCVEGCSA-N 1 0 255.361 3.715 10 0 CHAERO C[C@@H]([NH3+])Cc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000054160921 525000305 /nfs/dbraw/zinc/00/03/05/525000305.db2.gz UAQSALLWLNSGIF-MRVPVSSYSA-N 1 0 286.322 3.719 10 0 CHAERO Cc1cc(F)ccc1[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000055225986 525002659 /nfs/dbraw/zinc/00/26/59/525002659.db2.gz AVACFWMORZWPQU-HNNXBMFYSA-N 1 0 265.278 3.655 10 0 CHAERO Cc1ccccc1C[N@H+]1C[C@@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062705154 525146389 /nfs/dbraw/zinc/14/63/89/525146389.db2.gz YTSTVFGJGYGYEJ-OALUTQOASA-N 1 0 288.479 3.840 10 0 CHAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000280970515 525327783 /nfs/dbraw/zinc/32/77/83/525327783.db2.gz HSOYJROYRNEQHJ-UTUOFQBUSA-N 1 0 283.362 3.819 10 0 CHAERO Cc1ccccc1[C@H](C[NH2+]C(C)C)OC1CCCC1 ZINC000050487668 525423633 /nfs/dbraw/zinc/42/36/33/525423633.db2.gz WONOVENGGAKZRX-KRWDZBQOSA-N 1 0 261.409 3.993 10 0 CHAERO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000054764182 525427996 /nfs/dbraw/zinc/42/79/96/525427996.db2.gz MVZIVCJVBNJSLY-LBPRGKRZSA-N 1 0 257.381 3.558 10 0 CHAERO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000054764184 525511772 /nfs/dbraw/zinc/51/17/72/525511772.db2.gz MVZIVCJVBNJSLY-GFCCVEGCSA-N 1 0 257.381 3.558 10 0 CHAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc2c(c1)CCO2 ZINC000037229971 525632864 /nfs/dbraw/zinc/63/28/64/525632864.db2.gz GUISENORZJONDY-UGSOOPFHSA-N 1 0 279.383 3.960 10 0 CHAERO Cc1c(C[NH2+]C(C)C)cnn1-c1c(C)cc(C)cc1C ZINC000055265786 525723070 /nfs/dbraw/zinc/72/30/70/525723070.db2.gz QMBQIGYMASAPEQ-UHFFFAOYSA-N 1 0 271.408 3.604 10 0 CHAERO Cc1ccc([C@@H](C[NH3+])Nc2cccc(Cl)c2)cc1 ZINC000057547741 525757110 /nfs/dbraw/zinc/75/71/10/525757110.db2.gz BQLZQQKAOKOKKU-OAHLLOKOSA-N 1 0 260.768 3.760 10 0 CHAERO Cc1ccc([C@@](C)([NH3+])c2ccc(F)cc2C)cc1C ZINC000055198679 525868055 /nfs/dbraw/zinc/86/80/55/525868055.db2.gz LHUBOUWNXCULEF-QGZVFWFLSA-N 1 0 257.352 3.973 10 0 CHAERO Cc1ccsc1[C@H]([NH3+])Cc1cccc(Cl)c1 ZINC000052944579 525891045 /nfs/dbraw/zinc/89/10/45/525891045.db2.gz LECDSWXOQJGZMS-GFCCVEGCSA-N 1 0 251.782 3.952 10 0 CHAERO Cc1ccc([C@H]([NH3+])Cc2cccc(Cl)c2)s1 ZINC000052944415 525961512 /nfs/dbraw/zinc/96/15/12/525961512.db2.gz NDSNAZPDHOPQGB-GFCCVEGCSA-N 1 0 251.782 3.952 10 0 CHAERO Cc1ccc([C@H](O)C[NH+](CC(C)C)CC(C)C)cc1C ZINC000062349856 525973442 /nfs/dbraw/zinc/97/34/42/525973442.db2.gz CLAIBEAWEXXRNE-GOSISDBHSA-N 1 0 277.452 3.951 10 0 CHAERO CSc1ccc(NCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000052205225 526042516 /nfs/dbraw/zinc/04/25/16/526042516.db2.gz DQHPRHKOPDJNFP-CQSZACIVSA-N 1 0 264.438 3.695 10 0 CHAERO C[C@H](C1CCCCC1)n1c(N)[nH+]c2cc(F)ccc21 ZINC000052341541 526215987 /nfs/dbraw/zinc/21/59/87/526215987.db2.gz JFMGBWZNMNKHDX-SNVBAGLBSA-N 1 0 261.344 3.899 10 0 CHAERO Cc1ccc2c(c1)[nH+]c(N)n2CC1CCC(C)CC1 ZINC000063146055 526220279 /nfs/dbraw/zinc/22/02/79/526220279.db2.gz ZAAWYSXNSHAVNT-UHFFFAOYSA-N 1 0 257.381 3.753 10 0 CHAERO Fc1ccc(F)c(CC2(C[NH2+]C3CC3)CCCC2)c1 ZINC000054655882 526348259 /nfs/dbraw/zinc/34/82/59/526348259.db2.gz HZHFEYGGMRQJEW-UHFFFAOYSA-N 1 0 265.347 3.820 10 0 CHAERO Fc1ccc(F)c([C@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC000054683552 526350696 /nfs/dbraw/zinc/35/06/96/526350696.db2.gz CKFDAXILTQQEAB-CJNGLKHVSA-N 1 0 259.299 3.783 10 0 CHAERO Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000156981159 526421588 /nfs/dbraw/zinc/42/15/88/526421588.db2.gz YYBCHTMCADBULZ-CQSZACIVSA-N 1 0 290.407 3.970 10 0 CHAERO Cc1nc(-c2c(F)cccc2F)sc1C[NH2+]C1CC1 ZINC000052330848 526559734 /nfs/dbraw/zinc/55/97/34/526559734.db2.gz WJROWNATUZWSOB-UHFFFAOYSA-N 1 0 280.343 3.649 10 0 CHAERO c1coc([C@H]([NH2+]CCCOCC2CC2)c2ccccc2)c1 ZINC000020190868 526570340 /nfs/dbraw/zinc/57/03/40/526570340.db2.gz AGBZYTQHDQVHEY-GOSISDBHSA-N 1 0 285.387 3.775 10 0 CHAERO Cc1oc(C[NH3+])cc1COc1ccc(Cl)cc1C ZINC000052690292 526771543 /nfs/dbraw/zinc/77/15/43/526771543.db2.gz QCUDBWYSXXGBFN-UHFFFAOYSA-N 1 0 265.740 3.588 10 0 CHAERO Cc1oc(C[NH3+])cc1COc1cccc(C(C)C)c1 ZINC000052653714 526772193 /nfs/dbraw/zinc/77/21/93/526772193.db2.gz AIJBALKMYFANTL-UHFFFAOYSA-N 1 0 259.349 3.749 10 0 CHAERO [NH2+]=C1c2ccccc2CN1[C@@H]1CCCc2sccc21 ZINC000061364045 526840096 /nfs/dbraw/zinc/84/00/96/526840096.db2.gz QJIPXHWNFYSQOL-CQSZACIVSA-N 1 0 268.385 3.967 10 0 CHAERO Clc1cc2nc([C@@H]3CCC[NH2+]C3)oc2c(Cl)c1 ZINC000062541565 526933044 /nfs/dbraw/zinc/93/30/44/526933044.db2.gz HZYCLRNHSMBCLI-SSDOTTSWSA-N 1 0 271.147 3.602 10 0 CHAERO Clc1cc2nc([C@H]3CCC[NH2+]3)oc2c(Cl)c1 ZINC000062537942 526933470 /nfs/dbraw/zinc/93/34/70/526933470.db2.gz YAIIQMAPEOPCGF-MRVPVSSYSA-N 1 0 257.120 3.559 10 0 CHAERO [NH3+]C[C@@H](Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000057750588 527203215 /nfs/dbraw/zinc/20/32/15/527203215.db2.gz BQJZHMHQPPGLIE-CYBMUJFWSA-N 1 0 263.743 3.764 10 0 CHAERO [NH3+]Cc1csc(C2(c3ccccc3)CCCCC2)n1 ZINC000062783030 527264254 /nfs/dbraw/zinc/26/42/54/527264254.db2.gz ITTUIHNZNJOOOP-UHFFFAOYSA-N 1 0 272.417 3.852 10 0 CHAERO [NH3+]Cc1sc2ccccc2c1COC1CCCC1 ZINC000052600771 527269188 /nfs/dbraw/zinc/26/91/88/527269188.db2.gz OTCOPDXJKSPNST-UHFFFAOYSA-N 1 0 261.390 3.819 10 0 CHAERO [NH3+][C@H](Cc1cccc(C(F)(F)F)c1)CC(F)(F)F ZINC000053832083 527388425 /nfs/dbraw/zinc/38/84/25/527388425.db2.gz HAKWBHWYGGXJDR-SECBINFHSA-N 1 0 271.204 3.528 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(Cl)cc1Cl ZINC000083536485 535825273 /nfs/dbraw/zinc/82/52/73/535825273.db2.gz FUELPFNDEKPBMD-GXSJLCMTSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(Cl)c(Cl)c1 ZINC000083536494 536169733 /nfs/dbraw/zinc/16/97/33/536169733.db2.gz ZDNUZWZZYSMWFV-ZJUUUORDSA-N 1 0 273.207 3.570 10 0 CHAERO CCC(C)(C)[C@H]1CCc2nc(CCC[NH3+])sc2C1 ZINC000054139504 570413090 /nfs/dbraw/zinc/41/30/90/570413090.db2.gz AZIRRQQPFKHXPA-NSHDSACASA-N 1 0 266.454 3.576 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001665988 560183527 /nfs/dbraw/zinc/18/35/27/560183527.db2.gz ILMMSBJXXQIEEM-ZIAGYGMSSA-N 1 0 282.170 3.727 10 0 in-vitro CHAERO Cc1[nH+]ccc(N(C)C2CCCCC2)c1Br ZINC000669379479 566950922 /nfs/dbraw/zinc/95/09/22/566950922.db2.gz DELBWLUQMUIIID-UHFFFAOYSA-N 1 0 283.213 3.921 10 0 CHAERO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](C)O)cc1 ZINC000036101986 566993268 /nfs/dbraw/zinc/99/32/68/566993268.db2.gz MFMDMCXGPNTPGW-OAHLLOKOSA-N 1 0 287.378 3.517 10 0 CHAERO CCC[C@@H](O)C[N@@H+](Cc1ccsc1)Cc1ccco1 ZINC000036099309 566994897 /nfs/dbraw/zinc/99/48/97/566994897.db2.gz GQEJMZJKWXHACD-CQSZACIVSA-N 1 0 279.405 3.504 10 0 CHAERO CC(C)c1nc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)cs1 ZINC000328635758 567120662 /nfs/dbraw/zinc/12/06/62/567120662.db2.gz VBMDHRQIVABDCP-OCCSQVGLSA-N 1 0 296.480 3.807 10 0 CHAERO CCOc1c(Cl)cc(C[NH2+]C2CC2)cc1Cl ZINC000010475296 567861913 /nfs/dbraw/zinc/86/19/13/567861913.db2.gz FONJEGXCOROEPP-UHFFFAOYSA-N 1 0 260.164 3.644 10 0 CHAERO CCCn1cc(C[NH2+]C[C@@H]2CCCN2CC)c2ccccc21 ZINC000057353486 567894814 /nfs/dbraw/zinc/89/48/14/567894814.db2.gz IPYSMMQHJQWOJY-KRWDZBQOSA-N 1 0 299.462 3.625 10 0 CHAERO C=C(OCC)c1ccc(Cl)cc1C[NH2+]C(C)C ZINC000725268200 567924136 /nfs/dbraw/zinc/92/41/36/567924136.db2.gz LNXVTYSYUUUGBO-UHFFFAOYSA-N 1 0 253.773 3.845 10 0 CHAERO CC(C)(C)[C@@H]1C[C@H]2CC[C@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000725268199 567924229 /nfs/dbraw/zinc/92/42/29/567924229.db2.gz KOPJWUJWSGCGCT-TUVASFSCSA-N 1 0 263.425 3.502 10 0 CHAERO CC(C)(C)[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270205 567924416 /nfs/dbraw/zinc/92/44/16/567924416.db2.gz IOZUELPJZZWWTB-UHFFFAOYSA-N 1 0 266.694 3.642 10 0 CHAERO C[C@@H]1CCC[C@@H](c2cccc(C(=O)OC(C)(C)C)c2)[NH2+]1 ZINC000725270669 567924638 /nfs/dbraw/zinc/92/46/38/567924638.db2.gz PMMNFMWHAWMMRG-DOMZBBRYSA-N 1 0 275.392 3.845 10 0 CHAERO [NH3+]Cc1ncc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000308948059 567930457 /nfs/dbraw/zinc/93/04/57/567930457.db2.gz GTQAIUBOFSJMSP-UHFFFAOYSA-N 1 0 259.161 3.576 10 0 CHAERO CC[C@@H](CO)[N@H+](C/C(C)=C/c1ccco1)Cc1ccco1 ZINC000055212074 570241499 /nfs/dbraw/zinc/24/14/99/570241499.db2.gz WEELIWZIYYAHGL-IPJDOKCGSA-N 1 0 289.375 3.549 10 0 CHAERO C/C(=C\c1ccco1)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000014991213 570317638 /nfs/dbraw/zinc/31/76/38/570317638.db2.gz IPSXOGCQWCGCBY-IPJDOKCGSA-N 1 0 283.371 3.966 10 0 CHAERO CCC1(CC)[C@H]([NH3+])[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000669383863 570352872 /nfs/dbraw/zinc/35/28/72/570352872.db2.gz LRIYFHKGAVHJBV-MCIONIFRSA-N 1 0 296.455 3.540 10 0 CHAERO CCC[C@]1(C)[C@H]([NH3+])[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669384410 570352918 /nfs/dbraw/zinc/35/29/18/570352918.db2.gz VNKONQPTWILHRC-VMUDFCTBSA-N 1 0 296.455 3.540 10 0 CHAERO [NH3+][C@@H](CC1CC1)c1cc2ccc(Br)cc2o1 ZINC000675080346 570368900 /nfs/dbraw/zinc/36/89/00/570368900.db2.gz CGNBCERSLIZMCV-NSHDSACASA-N 1 0 280.165 3.995 10 0 CHAERO CC[C@]1([NH+]2CCCCC2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961345 570406800 /nfs/dbraw/zinc/40/68/00/570406800.db2.gz QSYCDRPGTUBPHZ-KRWDZBQOSA-N 1 0 296.455 3.652 10 0 CHAERO CC[NH2+]CCN1c2ccccc2Sc2ccccc21 ZINC000048784739 570412870 /nfs/dbraw/zinc/41/28/70/570412870.db2.gz XSGRSCGGDBZPNX-UHFFFAOYSA-N 1 0 270.401 3.899 10 0 CHAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC000193987129 1125550420 /nfs/dbraw/zinc/55/04/20/1125550420.db2.gz ZUOLUSRNLAYESK-KYJSFNMBSA-N 1 0 287.403 3.566 10 0 CHAERO CC(C)[NH+]1CCC(c2cccc3cnccc32)CC1 ZINC000366820456 1125703039 /nfs/dbraw/zinc/70/30/39/1125703039.db2.gz BYVYRHOMPRTCQR-UHFFFAOYSA-N 1 0 254.377 3.823 10 0 CHAERO COc1ccc(CN2CCC[C@H]2c2csc(C)n2)cc1 ZINC000189920718 1126935666 /nfs/dbraw/zinc/93/56/66/1126935666.db2.gz DHBFHIKOJSMNLU-INIZCTEOSA-N 1 0 288.416 3.797 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Cl)cc1Cl ZINC000368496522 1119371116 /nfs/dbraw/zinc/37/11/16/1119371116.db2.gz PCWATYMSFOAWKQ-ZBPZKIAKSA-N 1 0 286.202 3.536 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CCCOC1 ZINC000103962131 1120026725 /nfs/dbraw/zinc/02/67/25/1120026725.db2.gz FDDOYWLHBLCLFY-PWSUYJOCSA-N 1 0 282.453 3.579 10 0 CHAERO C[NH+](C)C[C@@H]1Cc2ccccc2Oc2ccccc21 ZINC000095616756 185016551 /nfs/dbraw/zinc/01/65/51/185016551.db2.gz FSTGCJHWFBLEJF-AWEZNQCLSA-N 1 0 253.345 3.680 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1COC ZINC000082445312 178021568 /nfs/dbraw/zinc/02/15/68/178021568.db2.gz ZQQTVYBCRPORHO-UHFFFAOYSA-N 1 0 296.823 3.719 10 0 CHAERO CCc1nc(-c2ccccc2)sc1C[NH2+]C(C)C ZINC000082422603 177996147 /nfs/dbraw/zinc/99/61/47/177996147.db2.gz VCGIGVLDPSQGCP-UHFFFAOYSA-N 1 0 260.406 3.871 10 0 CHAERO CCc1nc(-c2ccc(C)cc2)sc1C[NH2+]C1CC1 ZINC000082422889 177996861 /nfs/dbraw/zinc/99/68/61/177996861.db2.gz GGJFLFJRWQQNGQ-UHFFFAOYSA-N 1 0 272.417 3.933 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccncc2)nc1CCC ZINC000082427306 178002716 /nfs/dbraw/zinc/00/27/16/178002716.db2.gz CVTMAMLNIFHKGY-UHFFFAOYSA-N 1 0 275.421 3.657 10 0 CHAERO C[NH2+]Cc1sc(Cc2ccccc2OC)nc1C(C)C ZINC000082429578 178006951 /nfs/dbraw/zinc/00/69/51/178006951.db2.gz KYCZEXYLTBUJCW-UHFFFAOYSA-N 1 0 290.432 3.585 10 0 CHAERO CC(C)[NH2+]Cc1sc(-c2ccncc2)nc1C(C)C ZINC000082429829 178007236 /nfs/dbraw/zinc/00/72/36/178007236.db2.gz MHSHKGBPBPTZGY-UHFFFAOYSA-N 1 0 275.421 3.827 10 0 CHAERO CC(C)c1nc(Cc2cccc(Cl)c2)sc1C[NH3+] ZINC000082429766 178007454 /nfs/dbraw/zinc/00/74/54/178007454.db2.gz ZJXXKIPDHVHHOK-UHFFFAOYSA-N 1 0 280.824 3.969 10 0 CHAERO CC[NH2+]Cc1sc(N2CCC(C)CC2)nc1C(C)C ZINC000082434865 178012076 /nfs/dbraw/zinc/01/20/76/178012076.db2.gz OVORFYRIECUHAH-UHFFFAOYSA-N 1 0 281.469 3.612 10 0 CHAERO COc1ccccc1C[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000082503070 178066815 /nfs/dbraw/zinc/06/68/15/178066815.db2.gz JSKFWJWOLVCDMS-INIZCTEOSA-N 1 0 283.371 3.617 10 0 CHAERO CC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccc(F)cc21 ZINC000082509121 178075254 /nfs/dbraw/zinc/07/52/54/178075254.db2.gz DMWDDLQHNCHFHP-CQSZACIVSA-N 1 0 263.356 3.962 10 0 CHAERO CC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000095764186 185027545 /nfs/dbraw/zinc/02/75/45/185027545.db2.gz HPIOOTFKTKCKLG-OALUTQOASA-N 1 0 279.383 3.839 10 0 CHAERO [NH3+]Cc1ccc(C(F)(F)F)cc1OCc1ccccc1 ZINC000095830245 185029283 /nfs/dbraw/zinc/02/92/83/185029283.db2.gz CCPPVEPFHHMSEP-UHFFFAOYSA-N 1 0 281.277 3.743 10 0 CHAERO COc1cc(Cl)c(C(C)(C)CC[NH3+])cc1Cl ZINC000082622051 178135083 /nfs/dbraw/zinc/13/50/83/178135083.db2.gz NAKJODFHFNTOHJ-UHFFFAOYSA-N 1 0 262.180 3.628 10 0 CHAERO Cc1cc(Br)c2c(c1)[C@@H](C(C)C)[NH2+]CC2 ZINC000083655623 178656324 /nfs/dbraw/zinc/65/63/24/178656324.db2.gz IZOWSPOOKYKDAC-CYBMUJFWSA-N 1 0 268.198 3.600 10 0 CHAERO [NH3+][C@@H]1C[C@H](c2cccc(Cl)c2)Nc2ccccc21 ZINC000097758157 185662855 /nfs/dbraw/zinc/66/28/55/185662855.db2.gz DODHOZRWIDTSRB-UKRRQHHQSA-N 1 0 258.752 3.897 10 0 CHAERO Cc1ccc2c(c1)CCCN2Cc1ccc(C[NH3+])cc1F ZINC000019806445 136578667 /nfs/dbraw/zinc/57/86/67/136578667.db2.gz UPEUHTQVMZUGSJ-UHFFFAOYSA-N 1 0 284.378 3.546 10 0 CHAERO CCCc1[nH+]c(Cc2ccccc2)c(N)n1C(C)C ZINC000103501450 185845645 /nfs/dbraw/zinc/84/56/45/185845645.db2.gz VWVYIVADLQHCQH-UHFFFAOYSA-N 1 0 257.381 3.590 10 0 CHAERO CCN(CC[NH2+]CCCC(C)C)c1ccccc1C ZINC000103998079 185878370 /nfs/dbraw/zinc/87/83/70/185878370.db2.gz YELMVDNPWUQTFR-UHFFFAOYSA-N 1 0 262.441 3.847 10 0 CHAERO CCCCCC[C@@H](C)N1CC[NH2+]Cc2ccccc21 ZINC000104156588 185913595 /nfs/dbraw/zinc/91/35/95/185913595.db2.gz XQHIBBDMIYIKPZ-OAHLLOKOSA-N 1 0 260.425 3.955 10 0 CHAERO [NH3+]CCc1c(Cl)cccc1N1CCCCCCC1 ZINC000104268800 185949620 /nfs/dbraw/zinc/94/96/20/185949620.db2.gz MKGSUAJOBYNCCO-UHFFFAOYSA-N 1 0 266.816 3.612 10 0 CHAERO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328631697 201979884 /nfs/dbraw/zinc/97/98/84/201979884.db2.gz RIPCXLLGQOOPLA-KVSKMBFKSA-N 1 0 299.414 3.968 10 0 CHAERO Cc1ccc([C@@H](C)[NH3+])c(OCc2cccc(F)c2)c1 ZINC000104331101 185971388 /nfs/dbraw/zinc/97/13/88/185971388.db2.gz LPELEDMLYXJUNM-GFCCVEGCSA-N 1 0 259.324 3.733 10 0 CHAERO CC[C@@H]1CCCC[C@H]1n1nc(C)c(C[C@@H](C)[NH3+])c1C ZINC000104387220 185989152 /nfs/dbraw/zinc/98/91/52/185989152.db2.gz BMCVKICVZPTBRJ-DJSGYFEHSA-N 1 0 263.429 3.531 10 0 CHAERO CC1(C[NH2+]Cc2ccc3c(c2)CCCN3)CCCC1 ZINC000104435074 186001585 /nfs/dbraw/zinc/00/15/85/186001585.db2.gz YQHIQRLGFXEWDU-UHFFFAOYSA-N 1 0 258.409 3.715 10 0 CHAERO CCCNCC[NH+](C1CCCCC1)C1CCCCC1 ZINC000110447833 186296975 /nfs/dbraw/zinc/29/69/75/186296975.db2.gz YNQIQGAMCZMTFZ-UHFFFAOYSA-N 1 0 266.473 3.953 10 0 CHAERO c1sc(C[NH2+][C@@H]2CCN3CCC[C@@H]23)cc1-c1ccccc1 ZINC000216473081 189703940 /nfs/dbraw/zinc/70/39/40/189703940.db2.gz JXZOXGRXEKTLPY-MSOLQXFVSA-N 1 0 298.455 3.741 10 0 CHAERO COCc1cccc(C[NH2+][C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c1 ZINC000216426831 189703951 /nfs/dbraw/zinc/70/39/51/189703951.db2.gz PXNUBIUIGMFBBH-ZRSRNVLSSA-N 1 0 285.431 3.747 10 0 CHAERO C[C@H]([NH3+])c1ccc(N2CCc3ccccc32)c(F)c1 ZINC000019872498 184535032 /nfs/dbraw/zinc/53/50/32/184535032.db2.gz PEWFLODYDMECFP-NSHDSACASA-N 1 0 256.324 3.540 10 0 CHAERO C[C@@H]([NH3+])c1ccc(N2c3ccccc3C[C@H]2C)cc1 ZINC000019872305 184535050 /nfs/dbraw/zinc/53/50/50/184535050.db2.gz PIERCIUPGKFFPB-CHWSQXEVSA-N 1 0 252.361 3.789 10 0 CHAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2csc3ccccc23)cn1 ZINC000171413543 335065214 /nfs/dbraw/zinc/06/52/14/335065214.db2.gz YHEYDLWFPXWPSJ-INIZCTEOSA-N 1 0 297.427 3.972 10 0 CHAERO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171413136 335065323 /nfs/dbraw/zinc/06/53/23/335065323.db2.gz BBEVUOIMBTWAFC-SFHVURJKSA-N 1 0 283.419 3.881 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1cccc(C(C)C)c1 ZINC000083441578 135021522 /nfs/dbraw/zinc/02/15/22/135021522.db2.gz NVIBOQFAAZZDOM-JKSUJKDBSA-N 1 0 260.425 3.777 10 0 CHAERO CC(C)c1cccc(N2C[C@H](C)[NH2+]C[C@H]2C(C)C)c1 ZINC000083441770 135022048 /nfs/dbraw/zinc/02/20/48/135022048.db2.gz XMHUGALWPUVYOZ-YOEHRIQHSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@@H]1CN(c2ccc3ccccc3c2)[C@@H](CC)C[NH2+]1 ZINC000083511084 135025513 /nfs/dbraw/zinc/02/55/13/135025513.db2.gz LDTUQGAJWAGQPY-SJORKVTESA-N 1 0 268.404 3.807 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1cc(Cl)cc(Cl)c1 ZINC000083536478 135027633 /nfs/dbraw/zinc/02/76/33/135027633.db2.gz BUGLIRGLVDAYFO-CABZTGNLSA-N 1 0 273.207 3.570 10 0 CHAERO CC(C)OCCC[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000171501680 335067523 /nfs/dbraw/zinc/06/75/23/335067523.db2.gz DODBAZJWLVJBPX-QGZVFWFLSA-N 1 0 291.435 3.654 10 0 CHAERO COc1ccccc1C[C@@H]([NH3+])Cc1ccc(C(C)C)cc1 ZINC000011600942 170425308 /nfs/dbraw/zinc/42/53/08/170425308.db2.gz SAZJEKJAOBWKEK-SFHVURJKSA-N 1 0 283.415 3.931 10 0 CHAERO [NH3+][C@H](Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000011600681 170425372 /nfs/dbraw/zinc/42/53/72/170425372.db2.gz CKWWYHMIUAWIIG-OAHLLOKOSA-N 1 0 263.743 3.592 10 0 CHAERO CCc1ccc(C[C@@H]([NH3+])c2ccc(OC)c(OC)c2)cc1 ZINC000011603139 170425665 /nfs/dbraw/zinc/42/56/65/170425665.db2.gz QSOSBVYWWWCLPJ-MRXNPFEDSA-N 1 0 285.387 3.509 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])Cc2ccccc2Cl)cc1 ZINC000011603856 170426363 /nfs/dbraw/zinc/42/63/63/170426363.db2.gz RUXGNAVSQCPZGN-INIZCTEOSA-N 1 0 275.779 3.981 10 0 CHAERO [NH3+]Cc1ccccc1COc1ccc2ccccc2c1 ZINC000011945038 170459865 /nfs/dbraw/zinc/45/98/65/170459865.db2.gz WVEBPRBXDWKALK-UHFFFAOYSA-N 1 0 263.340 3.878 10 0 CHAERO CCC[NH+](CCC)C[C@H]1CCc2sccc2C1 ZINC000013474748 170554275 /nfs/dbraw/zinc/55/42/75/170554275.db2.gz AFLPJFUVXSSHKS-ZDUSSCGKSA-N 1 0 251.439 3.975 10 0 CHAERO CC(C)OCCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000013721946 170581803 /nfs/dbraw/zinc/58/18/03/170581803.db2.gz CFCXYHVJMXVCNI-UHFFFAOYSA-N 1 0 291.366 3.990 10 0 CHAERO COCCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000013722592 170582125 /nfs/dbraw/zinc/58/21/25/170582125.db2.gz MZBJPXJDHXLRDI-UHFFFAOYSA-N 1 0 299.414 3.700 10 0 CHAERO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C ZINC000014921351 170648525 /nfs/dbraw/zinc/64/85/25/170648525.db2.gz MPYVOQRNXDXWSF-NEPJUHHUSA-N 1 0 282.815 3.610 10 0 CHAERO CCN(c1ccccc1)[C@H](C[NH3+])c1sccc1C ZINC000019261151 170762320 /nfs/dbraw/zinc/76/23/20/170762320.db2.gz HNHSNKHSACIUJE-CQSZACIVSA-N 1 0 260.406 3.583 10 0 CHAERO [NH3+]C[C@@H](Oc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000019670848 170835419 /nfs/dbraw/zinc/83/54/19/170835419.db2.gz ABRIIYBMHUHOOW-GOSISDBHSA-N 1 0 267.372 3.644 10 0 CHAERO CCc1cccc(O[C@@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000019671011 170835706 /nfs/dbraw/zinc/83/57/06/170835706.db2.gz HPGRPAKYBQNTLH-INIZCTEOSA-N 1 0 275.779 3.981 10 0 CHAERO Cc1cc(Cl)ccc1OCc1cccc(C(N)=[NH2+])c1 ZINC000019808706 170877620 /nfs/dbraw/zinc/87/76/20/170877620.db2.gz QCVPYBKHMFVSIH-UHFFFAOYSA-N 1 0 274.751 3.511 10 0 CHAERO CC(C)(C)c1ccccc1OCc1ccccc1C(N)=[NH2+] ZINC000019808778 170877938 /nfs/dbraw/zinc/87/79/38/170877938.db2.gz XPERCIIPYYNCLO-UHFFFAOYSA-N 1 0 282.387 3.847 10 0 CHAERO [NH3+]Cc1cccc(COc2cccc(C(F)(F)F)c2)c1 ZINC000019841007 170889565 /nfs/dbraw/zinc/88/95/65/170889565.db2.gz GBLHSACFDGVTFF-UHFFFAOYSA-N 1 0 281.277 3.743 10 0 CHAERO CCCOc1ccc([C@@H]([NH3+])CN(C)c2ccccc2)cc1 ZINC000020002910 170966522 /nfs/dbraw/zinc/96/65/22/170966522.db2.gz ATSWOXWXSNYPOL-SFHVURJKSA-N 1 0 284.403 3.612 10 0 CHAERO CC[N@H+](C[C@@H]1CNc2ccccc2O1)C1CCCCC1 ZINC000020073383 170983611 /nfs/dbraw/zinc/98/36/11/170983611.db2.gz VJEJZIWKEGFUGL-HNNXBMFYSA-N 1 0 274.408 3.514 10 0 CHAERO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(O)cc1 ZINC000020122705 171003532 /nfs/dbraw/zinc/00/35/32/171003532.db2.gz GMWOTLUOACOBFN-CQSZACIVSA-N 1 0 255.361 3.676 10 0 CHAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1c(F)cccc1F ZINC000020130903 171020196 /nfs/dbraw/zinc/02/01/96/171020196.db2.gz IRNHRHNPFNPXEP-SECBINFHSA-N 1 0 251.320 3.804 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccncc2)c(C)c1 ZINC000020140061 171027134 /nfs/dbraw/zinc/02/71/34/171027134.db2.gz LTIPMVFBFQWIBB-OAHLLOKOSA-N 1 0 254.377 3.858 10 0 CHAERO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCOc2ccccc21 ZINC000020145081 171030022 /nfs/dbraw/zinc/03/00/22/171030022.db2.gz NJRUIXCJQCDXGL-BBRMVZONSA-N 1 0 271.360 3.714 10 0 CHAERO CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1cccs1 ZINC000020189465 171055403 /nfs/dbraw/zinc/05/54/03/171055403.db2.gz LGBZWFNKIBCJCL-AWEZNQCLSA-N 1 0 266.454 3.662 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(O)cc1 ZINC000020204193 171069072 /nfs/dbraw/zinc/06/90/72/171069072.db2.gz UUMMYSRMBLEPPA-XHDPSFHLSA-N 1 0 257.333 3.713 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC000020206340 171071236 /nfs/dbraw/zinc/07/12/36/171071236.db2.gz XBRYSVNTCYOJGG-WDMOLILDSA-N 1 0 298.224 3.667 10 0 CHAERO CN(Cc1ccc(Cl)cc1)[C@@H](C[NH3+])c1cccs1 ZINC000020225324 171087302 /nfs/dbraw/zinc/08/73/02/171087302.db2.gz UFCANQQAKDGMOA-ZDUSSCGKSA-N 1 0 280.824 3.533 10 0 CHAERO Cc1ccccc1[C@H](C[NH3+])N(C)Cc1ccccc1Cl ZINC000020225442 171088091 /nfs/dbraw/zinc/08/80/91/171088091.db2.gz INELDZNAPZGPDE-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO CN(CC1CCCCC1)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225935 171089669 /nfs/dbraw/zinc/08/96/69/171089669.db2.gz NMXLDBQBXIXWCS-MRXNPFEDSA-N 1 0 280.843 3.852 10 0 CHAERO CN(Cc1ccccc1F)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225905 171090260 /nfs/dbraw/zinc/09/02/60/171090260.db2.gz WYZDFMJTRDUWMX-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO CC[C@H](Oc1cccc(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000020262678 171120737 /nfs/dbraw/zinc/12/07/37/171120737.db2.gz GTAPERSFEWYTTF-HOTGVXAUSA-N 1 0 259.324 3.683 10 0 CHAERO CC(C)[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000020362164 171160788 /nfs/dbraw/zinc/16/07/88/171160788.db2.gz LLQVGLIZRGERFD-JTQLQIEISA-N 1 0 261.287 3.719 10 0 CHAERO CCCC[NH+](CCCC)[C@]1(CN)CCC[C@H](C)C1 ZINC000020362694 171161948 /nfs/dbraw/zinc/16/19/48/171161948.db2.gz QTKWKJAEBOXCAF-JKSUJKDBSA-N 1 0 254.462 3.796 10 0 CHAERO Cc1cc(C)c(C)c(OCc2cccc(C[NH3+])c2)c1 ZINC000020425359 171192277 /nfs/dbraw/zinc/19/22/77/171192277.db2.gz HOWVXQLSLGELSP-UHFFFAOYSA-N 1 0 255.361 3.650 10 0 CHAERO [NH3+][C@H](Cc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000020428626 171194074 /nfs/dbraw/zinc/19/40/74/171194074.db2.gz OLVUFDMZFQBEGZ-GFCCVEGCSA-N 1 0 272.348 3.678 10 0 CHAERO [NH3+][C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000020429979 171194930 /nfs/dbraw/zinc/19/49/30/171194930.db2.gz LITKGGXGWMBMDE-AWEZNQCLSA-N 1 0 292.741 3.508 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccccc2Cl)c(F)c1 ZINC000020470238 171212787 /nfs/dbraw/zinc/21/27/87/171212787.db2.gz VVTAKZXMFXBGMQ-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO CC(C)c1ccc(COc2ccc(CC[NH3+])cc2)cc1 ZINC000020475691 171219712 /nfs/dbraw/zinc/21/97/12/171219712.db2.gz GAKWEGXFCRUBQP-UHFFFAOYSA-N 1 0 269.388 3.890 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1cccc(F)c1 ZINC000020484731 171224426 /nfs/dbraw/zinc/22/44/26/171224426.db2.gz RNGMUFCXIVQHGC-INIZCTEOSA-N 1 0 266.404 3.728 10 0 CHAERO CCCC[NH+](CCCC)[C@@]1(CN)CCCC[C@@H]1C ZINC000020484881 171224798 /nfs/dbraw/zinc/22/47/98/171224798.db2.gz MCYQKOPHGAZTHE-JKSUJKDBSA-N 1 0 254.462 3.796 10 0 CHAERO Cc1ccc([C@H]([NH3+])CO[C@@H]2CCC[C@@H](C)C2)c(C)c1 ZINC000020513148 171231701 /nfs/dbraw/zinc/23/17/01/171231701.db2.gz QGRAKSMEKOZJIX-SRCQZFHVSA-N 1 0 261.409 3.899 10 0 CHAERO C[C@H]1CCC[C@@H](Oc2cccc(Cl)c2C[NH3+])C1 ZINC000020517782 171233327 /nfs/dbraw/zinc/23/33/27/171233327.db2.gz SKGFZOJXJDVOND-WDEREUQCSA-N 1 0 253.773 3.756 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccccc2F)cc1Cl ZINC000020521857 171234941 /nfs/dbraw/zinc/23/49/41/171234941.db2.gz XVLGIDFMPYVQKF-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO COc1ccc([C@H]([NH3+])CCC(C)C)cc1Br ZINC000020522005 171235562 /nfs/dbraw/zinc/23/55/62/171235562.db2.gz NCJLHPKJVAFDBM-GFCCVEGCSA-N 1 0 286.213 3.894 10 0 CHAERO [NH3+][C@@H]1CCC[C@@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000020544635 171243197 /nfs/dbraw/zinc/24/31/97/171243197.db2.gz VNFBWGWNZWGBEA-SJORKVTESA-N 1 0 269.344 3.738 10 0 CHAERO CCCC[N@H+](CC)[C@H](CN)c1ccc(C(C)C)cc1 ZINC000020545039 171243216 /nfs/dbraw/zinc/24/32/16/171243216.db2.gz AJPSNXOKNIWIHN-QGZVFWFLSA-N 1 0 262.441 3.932 10 0 CHAERO CCOc1ccc(O[C@@H](C)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000020546343 171243942 /nfs/dbraw/zinc/24/39/42/171243942.db2.gz XOSPYPCUESVAEM-KSSFIOAISA-N 1 0 285.387 3.861 10 0 CHAERO COc1cccc(O[C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000020548811 171246018 /nfs/dbraw/zinc/24/60/18/171246018.db2.gz AEXXLGOGRSCMQS-ZWKOTPCHSA-N 1 0 285.387 3.799 10 0 CHAERO C=COCCC[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000020553644 171249396 /nfs/dbraw/zinc/24/93/96/171249396.db2.gz DFNRIMROYAGDMV-UHFFFAOYSA-N 1 0 277.408 3.751 10 0 CHAERO CCCC[N@H+](CC)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000020558734 171250977 /nfs/dbraw/zinc/25/09/77/171250977.db2.gz SLSQGROARLYBHV-AWEZNQCLSA-N 1 0 288.357 3.827 10 0 CHAERO COc1ccc(Br)cc1[C@@H]([NH3+])CCC(C)C ZINC000020586585 171259350 /nfs/dbraw/zinc/25/93/50/171259350.db2.gz SKIUFGRGYBCAGV-LBPRGKRZSA-N 1 0 286.213 3.894 10 0 CHAERO CCC[C@@H](C)[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586581 171259584 /nfs/dbraw/zinc/25/95/84/171259584.db2.gz YVJKADJSVWZNAR-RNCFNFMXSA-N 1 0 286.213 3.894 10 0 CHAERO Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000020595932 171264274 /nfs/dbraw/zinc/26/42/74/171264274.db2.gz FOYUBSSRYIBSRE-SFHVURJKSA-N 1 0 280.415 3.990 10 0 CHAERO Fc1ccc(F)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595815 171264641 /nfs/dbraw/zinc/26/46/41/171264641.db2.gz GYPVGTMBDJIEDY-HNNXBMFYSA-N 1 0 288.341 3.651 10 0 CHAERO Cc1c(C[NH2+][C@@H]2COc3ccccc3C2)[nH]c2ccccc21 ZINC000020781201 171272842 /nfs/dbraw/zinc/27/28/42/171272842.db2.gz XJYGBCKHXHUJTO-HNNXBMFYSA-N 1 0 292.382 3.570 10 0 CHAERO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876575 171277607 /nfs/dbraw/zinc/27/76/07/171277607.db2.gz LPUSHFRCQSZHSV-ZDUSSCGKSA-N 1 0 293.794 3.769 10 0 CHAERO COc1c(Cl)cc(C[NH2+]Cc2cccnc2)cc1Cl ZINC000020928315 171280402 /nfs/dbraw/zinc/28/04/02/171280402.db2.gz KWPLTEDREHZUSN-UHFFFAOYSA-N 1 0 297.185 3.687 10 0 CHAERO CCCCOCCC[NH2+]Cc1ccc(OCCC)cc1 ZINC000020925322 171280662 /nfs/dbraw/zinc/28/06/62/171280662.db2.gz XGPAOJBEANEMCN-UHFFFAOYSA-N 1 0 279.424 3.772 10 0 CHAERO CC[C@H](C)C[C@](CC)(C[NH3+])N1CCc2ccccc21 ZINC000021009898 171286473 /nfs/dbraw/zinc/28/64/73/171286473.db2.gz QBXHNBIROZIIMU-WMLDXEAASA-N 1 0 260.425 3.593 10 0 CHAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1OC[C@@H]1CCCO1 ZINC000021018654 171290274 /nfs/dbraw/zinc/29/02/74/171290274.db2.gz YFRSUQJSDVLHCV-ULQDDVLXSA-N 1 0 283.456 3.793 10 0 CHAERO CCC(CC)[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000021022439 171290972 /nfs/dbraw/zinc/29/09/72/171290972.db2.gz HIDIRLYARCOODI-QGZVFWFLSA-N 1 0 262.441 3.848 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C(N)=[NH2+])cc1 ZINC000021051621 171295167 /nfs/dbraw/zinc/29/51/67/171295167.db2.gz VQCWNYUNAIDZRW-KCXAZCMYSA-N 1 0 274.408 3.810 10 0 CHAERO CCOc1ccccc1[C@@H]([NH3+])CN(CC)c1ccccc1 ZINC000021052335 171295228 /nfs/dbraw/zinc/29/52/28/171295228.db2.gz BDMJIGGTWBDCPK-KRWDZBQOSA-N 1 0 284.403 3.612 10 0 CHAERO CN(C)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021054073 171295336 /nfs/dbraw/zinc/29/53/36/171295336.db2.gz LMQKXFYGYYONQT-KBPBESRZSA-N 1 0 254.462 3.521 10 0 CHAERO CCC[NH+](CCC)[C@H](C(C)C)[C@H](N)c1ccccc1 ZINC000021054815 171295384 /nfs/dbraw/zinc/29/53/84/171295384.db2.gz BALPYWJJFDZSFH-IAGOWNOFSA-N 1 0 262.441 3.833 10 0 CHAERO CCCOc1ccccc1O[C@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000021501385 171305307 /nfs/dbraw/zinc/30/53/07/171305307.db2.gz XAQZHPOWUAMYME-ZQIUZPCESA-N 1 0 277.408 3.760 10 0 CHAERO C[C@@H]1CCCC[N@@H+]1C1(CN)CCC(C(C)(C)C)CC1 ZINC000021504386 171307234 /nfs/dbraw/zinc/30/72/34/171307234.db2.gz MGQRSWMXIBKSOI-HPUBIQBYSA-N 1 0 266.473 3.795 10 0 CHAERO CCc1ccc([C@H]([NH3+])COc2ccc(C)cc2)cc1 ZINC000021505421 171307440 /nfs/dbraw/zinc/30/74/40/171307440.db2.gz NHLAVPQHPNGFGO-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO CCOc1cc2c(cc1C[NH2+]C(CC)CC)O[C@H](C)C2 ZINC000021506166 171307978 /nfs/dbraw/zinc/30/79/78/171307978.db2.gz ZKRGSGPNKHVVBK-GFCCVEGCSA-N 1 0 277.408 3.687 10 0 CHAERO CCCc1ccc([C@@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021507831 171308988 /nfs/dbraw/zinc/30/89/88/171308988.db2.gz BXJXXXRTMFIEJM-RKVPGOIHSA-N 1 0 274.452 3.617 10 0 CHAERO CCc1ccc([C@@H]([NH3+])COc2cc(C)cc(C)c2)cc1 ZINC000021511280 171310552 /nfs/dbraw/zinc/31/05/52/171310552.db2.gz DWUWHYVNGFJRIC-SFHVURJKSA-N 1 0 269.388 3.945 10 0 CHAERO CCCC(CCC)[NH2+]CC1(N(C)C)CCCCC1 ZINC000021511943 171311063 /nfs/dbraw/zinc/31/10/63/171311063.db2.gz RZFARHZTXCKNLP-UHFFFAOYSA-N 1 0 254.462 3.809 10 0 CHAERO CCCc1ccc([C@@H]([NH3+])COc2ccccc2)cc1 ZINC000021516218 171312495 /nfs/dbraw/zinc/31/24/95/171312495.db2.gz DFSVKZNIESRLBB-KRWDZBQOSA-N 1 0 255.361 3.718 10 0 CHAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccccc2C(F)(F)F)C1 ZINC000021517847 171313995 /nfs/dbraw/zinc/31/39/95/171313995.db2.gz ZQEFEZSALJENEF-CDMKHQONSA-N 1 0 273.298 3.600 10 0 CHAERO CCCOc1ccc([C@@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000021787177 171322836 /nfs/dbraw/zinc/32/28/36/171322836.db2.gz ZFSQNEFHDACCCD-MPGHIAIKSA-N 1 0 290.451 3.738 10 0 CHAERO CC(C)c1ccc(O[C@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000021792070 171324255 /nfs/dbraw/zinc/32/42/55/171324255.db2.gz FIUDKLHLSBFSBL-ZWKOTPCHSA-N 1 0 267.372 3.814 10 0 CHAERO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000021794233 171324502 /nfs/dbraw/zinc/32/45/02/171324502.db2.gz SEWYBRPMUHUFTI-KVFOQLRZSA-N 1 0 290.495 3.793 10 0 CHAERO CCC[NH+](CCC)C[C@H](N)c1ccc(OC(C)C)cc1 ZINC000021800671 171325979 /nfs/dbraw/zinc/32/59/79/171325979.db2.gz QFYVNLVXWCLATB-KRWDZBQOSA-N 1 0 278.440 3.596 10 0 CHAERO Cc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)N(C)C)c(C)s1 ZINC000021809142 171328627 /nfs/dbraw/zinc/32/86/27/171328627.db2.gz WAOLXFDUXPAZQC-WFASDCNBSA-N 1 0 268.470 3.602 10 0 CHAERO CCC[NH+](CCC)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1N ZINC000021814646 171331688 /nfs/dbraw/zinc/33/16/88/171331688.db2.gz MZCIELJBAXKSPV-OKZBNKHCSA-N 1 0 274.452 3.772 10 0 CHAERO CCc1ccc([C@H]([NH3+])CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000021814536 171331853 /nfs/dbraw/zinc/33/18/53/171331853.db2.gz ULABOQNCGYBRSH-XKQJLSEDSA-N 1 0 261.409 3.844 10 0 CHAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000022015214 171349585 /nfs/dbraw/zinc/34/95/85/171349585.db2.gz XDTSNFSQMSONEY-CQSZACIVSA-N 1 0 276.380 3.848 10 0 CHAERO CC1(C)[C@H]2CC[C@]1(C)[C@@](C[NH3+])(Nc1ccccc1)C2 ZINC000026442746 171484577 /nfs/dbraw/zinc/48/45/77/171484577.db2.gz ONOLKANKSDWARA-RRQGHBQHSA-N 1 0 258.409 3.642 10 0 CHAERO Cc1ccc([C@@H](CN)[NH+](CC(C)C)CC(C)C)cc1 ZINC000032026530 171687400 /nfs/dbraw/zinc/68/74/00/171687400.db2.gz XTVQKCZWELDFIO-QGZVFWFLSA-N 1 0 262.441 3.609 10 0 CHAERO CCc1ccc(O[C@H](CC[NH3+])c2ccccc2)cc1 ZINC000032108753 171700953 /nfs/dbraw/zinc/70/09/53/171700953.db2.gz ZXTPFGGMRKPFSP-QGZVFWFLSA-N 1 0 255.361 3.718 10 0 CHAERO [NH3+]CCC[C@H](Oc1ccc(F)cc1)c1ccccc1 ZINC000032111079 171703502 /nfs/dbraw/zinc/70/35/02/171703502.db2.gz FILMQWBOZNJTFQ-INIZCTEOSA-N 1 0 259.324 3.685 10 0 CHAERO CC[C@H]([NH2+]C)c1ccccc1OCc1ccccc1 ZINC000034817942 171870515 /nfs/dbraw/zinc/87/05/15/171870515.db2.gz PZXVCCUIHGESQV-INIZCTEOSA-N 1 0 255.361 3.936 10 0 CHAERO Cc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000035161441 172020406 /nfs/dbraw/zinc/02/04/06/172020406.db2.gz RNJDKRPDAYHDBX-UHFFFAOYSA-N 1 0 255.405 3.909 10 0 CHAERO C=COCCC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000035163488 172024558 /nfs/dbraw/zinc/02/45/58/172024558.db2.gz MNENFSXDUIULBV-UHFFFAOYSA-N 1 0 292.379 3.589 10 0 CHAERO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](CC)C2CCCCC2)C1 ZINC000035219755 172060553 /nfs/dbraw/zinc/06/05/53/172060553.db2.gz SGVWFLBWJIYHTA-VNQPRFMTSA-N 1 0 252.446 3.547 10 0 CHAERO Cc1ccc([C@@H](N)[C@@H](C)[N@H+](C)C2CCCCC2)cc1 ZINC000035219790 172061126 /nfs/dbraw/zinc/06/11/26/172061126.db2.gz YRDUJMNPDKYJRC-PBHICJAKSA-N 1 0 260.425 3.648 10 0 CHAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000035258152 172089463 /nfs/dbraw/zinc/08/94/63/172089463.db2.gz RGEDKZVYFYWEHM-WDEREUQCSA-N 1 0 263.328 3.959 10 0 CHAERO CC(C)CC[NH2+][C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000035273316 172093230 /nfs/dbraw/zinc/09/32/30/172093230.db2.gz PHGUGSURDUJMJP-NWDGAFQWSA-N 1 0 267.335 3.512 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@@H]1CCCC[C@H]1C ZINC000035438999 172202766 /nfs/dbraw/zinc/20/27/66/172202766.db2.gz KQYBBXHAZWCAGJ-JTNHKYCSSA-N 1 0 251.345 3.803 10 0 CHAERO C[NH2+][C@H](CC(C)C)c1cc(Br)ccc1OC ZINC000035456608 172206737 /nfs/dbraw/zinc/20/67/37/172206737.db2.gz VRLNULMWEKBUBO-GFCCVEGCSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@H](c1occc1C)c1ccc(Br)cc1 ZINC000035462350 172210512 /nfs/dbraw/zinc/21/05/12/172210512.db2.gz RVTNBITXFXTAGW-LBPRGKRZSA-N 1 0 280.165 3.659 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CCCC1 ZINC000035462204 172210523 /nfs/dbraw/zinc/21/05/23/172210523.db2.gz VRBBXCFTWUWCBG-AWEZNQCLSA-N 1 0 253.773 3.799 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000035462294 172211163 /nfs/dbraw/zinc/21/11/63/172211163.db2.gz RCTGZJQERUWRHV-HNNXBMFYSA-N 1 0 275.779 3.852 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc(OC)cc1C ZINC000035468325 172217900 /nfs/dbraw/zinc/21/79/00/172217900.db2.gz UKUHLKKKQZHZFT-AWEZNQCLSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1cc(C)ccc1C ZINC000035489924 172224817 /nfs/dbraw/zinc/22/48/17/172224817.db2.gz SJIXXTOQMIJTEI-QGZVFWFLSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1Cc2ccccc2O1 ZINC000035498164 172231428 /nfs/dbraw/zinc/23/14/28/172231428.db2.gz JZRFZIIRUAPRAF-SMDDNHRTSA-N 1 0 279.792 3.666 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc(OC)cc(OC)c1 ZINC000035498364 172232117 /nfs/dbraw/zinc/23/21/17/172232117.db2.gz VOGQUGPCNHLFHW-AWEZNQCLSA-N 1 0 297.807 3.728 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1)c1ccc(Cl)s1 ZINC000035498538 172232201 /nfs/dbraw/zinc/23/22/01/172232201.db2.gz OBNGHJZHSXTMMB-NSHDSACASA-N 1 0 251.782 3.905 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1ccc(OC(C)C)cc1 ZINC000035498603 172232299 /nfs/dbraw/zinc/23/22/99/172232299.db2.gz FBVFQONMQFEGOW-HNNXBMFYSA-N 1 0 261.390 3.844 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1cc(F)ccc1OC ZINC000035498971 172232326 /nfs/dbraw/zinc/23/23/26/172232326.db2.gz BISHPYLUSKUZSX-ZDUSSCGKSA-N 1 0 265.353 3.513 10 0 CHAERO C[NH2+][C@@H](c1cc(OC)c(OC)cc1Cl)C1CCCC1 ZINC000035501286 172236037 /nfs/dbraw/zinc/23/60/37/172236037.db2.gz IKCXHDIBYZSREB-OAHLLOKOSA-N 1 0 283.799 3.808 10 0 CHAERO CC[NH2+][C@@H](c1cc(Br)ccc1OC)C(C)C ZINC000035508869 172240906 /nfs/dbraw/zinc/24/09/06/172240906.db2.gz CDBHDCJIQFMTAH-CYBMUJFWSA-N 1 0 286.213 3.764 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(CC)s1 ZINC000035537948 172244057 /nfs/dbraw/zinc/24/40/57/172244057.db2.gz VLVLOWOJAMNFQK-SECBINFHSA-N 1 0 251.317 3.914 10 0 CHAERO CC[NH2+][C@H](c1ccco1)c1ccc(OC)c(Cl)c1 ZINC000035538249 172244983 /nfs/dbraw/zinc/24/49/83/172244983.db2.gz TWOWFHRKVLPVSA-AWEZNQCLSA-N 1 0 265.740 3.641 10 0 CHAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(OC)cc1 ZINC000035540711 172246727 /nfs/dbraw/zinc/24/67/27/172246727.db2.gz PVIIGBNZTPXUPK-CQSZACIVSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1OC)c1ccccc1 ZINC000035540479 172247370 /nfs/dbraw/zinc/24/73/70/172247370.db2.gz WJAXAYQKCHPYFC-INIZCTEOSA-N 1 0 255.361 3.589 10 0 CHAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)cc1OC ZINC000035546081 172254146 /nfs/dbraw/zinc/25/41/46/172254146.db2.gz GBPCFUCEQIEWRI-AWEZNQCLSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000035559026 172264004 /nfs/dbraw/zinc/26/40/04/172264004.db2.gz BSSXPLXSOLUTCV-OLZOCXBDSA-N 1 0 274.191 3.823 10 0 CHAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000035575238 172272243 /nfs/dbraw/zinc/27/22/43/172272243.db2.gz PXMRCZLFSAXHFL-OAHLLOKOSA-N 1 0 260.768 3.824 10 0 CHAERO CCC[NH2+][C@H](c1cccs1)c1ccccc1OC ZINC000035581275 172277316 /nfs/dbraw/zinc/27/73/16/172277316.db2.gz ODSYXCCHZCCTKA-HNNXBMFYSA-N 1 0 261.390 3.846 10 0 CHAERO CCC[NH2+][C@H](c1cc(C)sc1C)[C@H]1CCCO1 ZINC000035583400 172281600 /nfs/dbraw/zinc/28/16/00/172281600.db2.gz RDZLVVKMQXAIAG-ZIAGYGMSSA-N 1 0 253.411 3.585 10 0 CHAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)[C@H]1C[C@@H]1C ZINC000035583952 172282532 /nfs/dbraw/zinc/28/25/32/172282532.db2.gz PQZHDGDZZIIGPR-ITDIGPHOSA-N 1 0 251.345 3.531 10 0 CHAERO Cc1cccc(COc2ccc(C)cc2[C@H](C)[NH3+])c1 ZINC000035629445 172310051 /nfs/dbraw/zinc/31/00/51/172310051.db2.gz ZPGKCQDDYBSYDT-AWEZNQCLSA-N 1 0 255.361 3.902 10 0 CHAERO CC[NH2+]Cc1c(OC[C@@H]2CCCO2)ccc2ccccc21 ZINC000035630670 172312467 /nfs/dbraw/zinc/31/24/67/172312467.db2.gz JYOOWKGMCGQSBM-HNNXBMFYSA-N 1 0 285.387 3.507 10 0 CHAERO CCC[NH2+][C@@H](C)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000035635482 172320592 /nfs/dbraw/zinc/32/05/92/172320592.db2.gz AMCLIGDMHRJMIL-LBPRGKRZSA-N 1 0 262.397 3.732 10 0 CHAERO C[NH2+][C@H]1COc2c1cc(-c1ccccc1)cc2Cl ZINC000035655071 172331588 /nfs/dbraw/zinc/33/15/88/172331588.db2.gz MRSCWUVWOVQYCX-AWEZNQCLSA-N 1 0 259.736 3.660 10 0 CHAERO CC(C)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000035657556 172332686 /nfs/dbraw/zinc/33/26/86/172332686.db2.gz RNBSHDPGOMAWQM-LBPRGKRZSA-N 1 0 284.197 3.661 10 0 CHAERO Cc1ccc(Cl)c2c1[C@@H]([NH2+]C(C)C)CCCO2 ZINC000035657714 172332689 /nfs/dbraw/zinc/33/26/89/172332689.db2.gz YWDRCMYEUQFDNO-LBPRGKRZSA-N 1 0 253.773 3.860 10 0 CHAERO C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)Cc2cccs2)C1 ZINC000035717212 172370826 /nfs/dbraw/zinc/37/08/26/172370826.db2.gz WGICFRHCUJGLFN-CJNGLKHVSA-N 1 0 280.481 3.724 10 0 CHAERO CN(Cc1cccs1)[C@H](C[NH3+])c1ccccc1Cl ZINC000035717269 172371674 /nfs/dbraw/zinc/37/16/74/172371674.db2.gz FKLBCNMEJXYIAZ-CQSZACIVSA-N 1 0 280.824 3.533 10 0 CHAERO CC(C)c1ccc(Sc2ccc(C[NH3+])cn2)cc1 ZINC000035720089 172374749 /nfs/dbraw/zinc/37/47/49/172374749.db2.gz HBFKZYXPCIYGRO-UHFFFAOYSA-N 1 0 258.390 3.815 10 0 CHAERO [NH3+]Cc1ccc(Sc2ccc3ccccc3c2)nc1 ZINC000035720273 172375218 /nfs/dbraw/zinc/37/52/18/172375218.db2.gz VSXUUDNCPDCNOP-UHFFFAOYSA-N 1 0 266.369 3.845 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1ccc(F)cc1F ZINC000035722034 172377397 /nfs/dbraw/zinc/37/73/97/172377397.db2.gz VROIHSOWZZKCGL-MFKMUULPSA-N 1 0 271.376 3.965 10 0 CHAERO [NH3+]Cc1ccc(F)c(CSc2cccs2)c1 ZINC000035722153 172377836 /nfs/dbraw/zinc/37/78/36/172377836.db2.gz YTKYQOBIPXCVLF-UHFFFAOYSA-N 1 0 253.367 3.638 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1ccc(F)cc1 ZINC000035723595 172378479 /nfs/dbraw/zinc/37/84/79/172378479.db2.gz JFOQOXNPDIHIDC-SMDDNHRTSA-N 1 0 253.386 3.825 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1nc2ccccc2[nH]1 ZINC000035723670 172378829 /nfs/dbraw/zinc/37/88/29/172378829.db2.gz WKRXWVRPFXWALU-BXUZGUMPSA-N 1 0 275.421 3.563 10 0 CHAERO COc1cccc(SCc2cc(C[NH3+])ccc2F)c1 ZINC000035723250 172378833 /nfs/dbraw/zinc/37/88/33/172378833.db2.gz WDOGPTDFJSMNJT-UHFFFAOYSA-N 1 0 277.364 3.585 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1ccccc1F ZINC000035723161 172378981 /nfs/dbraw/zinc/37/89/81/172378981.db2.gz OXABUTWXBQAPSI-AAEUAGOBSA-N 1 0 253.386 3.825 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1cc(F)ccc1F ZINC000035725005 172379776 /nfs/dbraw/zinc/37/97/76/172379776.db2.gz QSDZYKNMZJQBOK-BXKDBHETSA-N 1 0 257.349 3.574 10 0 CHAERO CC[NH2+][C@H]1c2cc(Cl)cc(Cl)c2OC[C@@H]1C ZINC000035754489 172396447 /nfs/dbraw/zinc/39/64/47/172396447.db2.gz SFLUBERQXYUBKM-WRWORJQWSA-N 1 0 260.164 3.673 10 0 CHAERO C[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)C(N)=S ZINC000036678087 172651285 /nfs/dbraw/zinc/65/12/85/172651285.db2.gz FINIGLXRLOSIKR-OAHLLOKOSA-N 1 0 298.455 3.611 10 0 CHAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(OC)cc1Cl ZINC000036768220 172686537 /nfs/dbraw/zinc/68/65/37/172686537.db2.gz SFJSUUUOJKPQSQ-SNVBAGLBSA-N 1 0 267.678 3.562 10 0 CHAERO C[C@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)[C@H]1CCCO1 ZINC000036845079 172747737 /nfs/dbraw/zinc/74/77/37/172747737.db2.gz AHAFIBGJBYNZIH-SXSDBLRQSA-N 1 0 279.811 3.743 10 0 CHAERO CSc1cccc(N[C@H](C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000037208865 173030377 /nfs/dbraw/zinc/03/03/77/173030377.db2.gz QGPRYYDMJYIFLO-OLZOCXBDSA-N 1 0 264.438 3.551 10 0 CHAERO CC(C)[C@H](CN[C@@H](C)c1ccc(F)cc1Cl)[NH+](C)C ZINC000037233290 173052634 /nfs/dbraw/zinc/05/26/34/173052634.db2.gz DDQZQKWTEOVYAU-NHYWBVRUSA-N 1 0 286.822 3.716 10 0 CHAERO CC(C)C[C@@H](C)Oc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000037306676 173110148 /nfs/dbraw/zinc/11/01/48/173110148.db2.gz WGCDQMFPLCONRY-SNVBAGLBSA-N 1 0 275.314 3.978 10 0 CHAERO CSCC[C@@H]([NH3+])c1nc2ccccc2n1C(C)(C)C ZINC000037323680 173123971 /nfs/dbraw/zinc/12/39/71/173123971.db2.gz SOFBXSVIXVYXRI-LLVKDONJSA-N 1 0 277.437 3.544 10 0 CHAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000037328342 173129614 /nfs/dbraw/zinc/12/96/14/173129614.db2.gz NZIBIYPLYPFUSC-ZDUSSCGKSA-N 1 0 294.851 3.923 10 0 CHAERO CCC[NH+](CCC)[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037333111 173134738 /nfs/dbraw/zinc/13/47/38/173134738.db2.gz UNUGPVWKEDNMLC-NSHDSACASA-N 1 0 269.335 3.658 10 0 CHAERO Cc1ccc(C)c(C(=O)[C@H](C)[N@H+](C)C2CCCC2)c1 ZINC000037334792 173135817 /nfs/dbraw/zinc/13/58/17/173135817.db2.gz IVDUDMPRBOBHMK-AWEZNQCLSA-N 1 0 259.393 3.749 10 0 CHAERO CCC[C@H](C)[N@H+](C)[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000037339354 173140537 /nfs/dbraw/zinc/14/05/37/173140537.db2.gz XUNGJDZTPIDLGM-QWRGUYRKSA-N 1 0 269.335 3.656 10 0 CHAERO CC(C)C[C@](C)([NH3+])c1cccc(Br)c1 ZINC000037380141 173167366 /nfs/dbraw/zinc/16/73/66/173167366.db2.gz XBGDYHXTNOZGNS-LBPRGKRZSA-N 1 0 256.187 3.669 10 0 CHAERO CCCn1c2ccc(F)cc2nc1[C@H]([NH3+])CC(C)C ZINC000037439534 173209461 /nfs/dbraw/zinc/20/94/61/173209461.db2.gz TXHVIFOPLQGLJO-GFCCVEGCSA-N 1 0 263.360 3.631 10 0 CHAERO CCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1CCC ZINC000037440539 173210186 /nfs/dbraw/zinc/21/01/86/173210186.db2.gz QJBZKNNVAHMGPV-LLVKDONJSA-N 1 0 265.788 3.900 10 0 CHAERO [NH3+][C@H](c1cccc(Br)c1)C1CCCC1 ZINC000037466561 173226906 /nfs/dbraw/zinc/22/69/06/173226906.db2.gz GMSOAUJJXLZSGT-LBPRGKRZSA-N 1 0 254.171 3.639 10 0 CHAERO CC[NH2+][C@@H](c1cccc(F)c1)c1ccccc1OC ZINC000037533012 173253805 /nfs/dbraw/zinc/25/38/05/173253805.db2.gz JQHVZFCWGYSAHU-INIZCTEOSA-N 1 0 259.324 3.533 10 0 CHAERO C[NH2+][C@H](CCOc1ccccc1)c1ccc(F)cc1 ZINC000037533119 173254023 /nfs/dbraw/zinc/25/40/23/173254023.db2.gz UWXSPEXJYFOQPH-MRXNPFEDSA-N 1 0 259.324 3.555 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)Cc1ccccc1C ZINC000037535030 173254244 /nfs/dbraw/zinc/25/42/44/173254244.db2.gz VHYRHRMYZDPPFX-KRWDZBQOSA-N 1 0 257.352 3.507 10 0 CHAERO CCOC(=O)CCC[C@H]([NH3+])c1ccc([C@@H](C)CC)cc1 ZINC000037636240 173584145 /nfs/dbraw/zinc/58/41/45/173584145.db2.gz NVBXMBZLXJSVME-BBRMVZONSA-N 1 0 277.408 3.933 10 0 CHAERO CC[C@H](C)Oc1ccc2ccccc2c1C[C@@H](C)[NH3+] ZINC000037727441 173646084 /nfs/dbraw/zinc/64/60/84/173646084.db2.gz LDCFJCRPNNYZSP-OLZOCXBDSA-N 1 0 257.377 3.907 10 0 CHAERO c1ccc2nc(C[NH2+]CCC3CCCC3)ccc2c1 ZINC000037741384 173662790 /nfs/dbraw/zinc/66/27/90/173662790.db2.gz DLYUTJWNDZIHGF-UHFFFAOYSA-N 1 0 254.377 3.905 10 0 CHAERO C[NH2+][C@@H](CCC(C)C)c1c(F)cc(OC)cc1F ZINC000037903516 173835419 /nfs/dbraw/zinc/83/54/19/173835419.db2.gz VTCSYHZLAFJRHL-ZDUSSCGKSA-N 1 0 257.324 3.670 10 0 CHAERO CCCCCC[C@@](C)([NH2+]C1CCCCCC1)C(N)=O ZINC000037970404 173919709 /nfs/dbraw/zinc/91/97/09/173919709.db2.gz PHKDOJKXJSKOKR-MRXNPFEDSA-N 1 0 268.445 3.513 10 0 CHAERO CCC[C@@H](CCc1ccc(Br)s1)[NH2+]C ZINC000038001179 173963931 /nfs/dbraw/zinc/96/39/31/173963931.db2.gz BYZVFPBQSDEKHN-VIFPVBQESA-N 1 0 276.243 3.831 10 0 CHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(OC)c(F)c1 ZINC000038005002 173967112 /nfs/dbraw/zinc/96/71/12/173967112.db2.gz LQONFLLYJPAQKK-GXTWGEPZSA-N 1 0 267.388 3.791 10 0 CHAERO C[C@@H](C[NH2+][C@@H]1CCCCc2ccccc21)N1CCCCC1 ZINC000038028450 174017511 /nfs/dbraw/zinc/01/75/11/174017511.db2.gz NTAWSZCQDQDCCD-QFBILLFUSA-N 1 0 286.463 3.918 10 0 CHAERO CC[C@H](C)C[NH2+]Cc1cc(F)ccc1Br ZINC000038039048 174039822 /nfs/dbraw/zinc/03/98/22/174039822.db2.gz FUUQPLYFEIXLDP-VIFPVBQESA-N 1 0 274.177 3.724 10 0 CHAERO C[C@@H](CN[C@@H](C)c1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000038041672 174042666 /nfs/dbraw/zinc/04/26/66/174042666.db2.gz WKWZOGKKHDLSRQ-KBPBESRZSA-N 1 0 296.405 3.737 10 0 CHAERO C[C@H](CN[C@@H](C)c1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000038041673 174043208 /nfs/dbraw/zinc/04/32/08/174043208.db2.gz WKWZOGKKHDLSRQ-KGLIPLIRSA-N 1 0 296.405 3.737 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 ZINC000038057775 174068398 /nfs/dbraw/zinc/06/83/98/174068398.db2.gz GPWQDZCDUWMXLX-MRXNPFEDSA-N 1 0 273.763 3.713 10 0 CHAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCO2)C1CCC1 ZINC000038058222 174068554 /nfs/dbraw/zinc/06/85/54/174068554.db2.gz LMCIYMUHZZMGKK-QGZVFWFLSA-N 1 0 259.393 3.852 10 0 CHAERO CC[C@H](C)[NH2+][C@]1(C(=O)OC)CCCC[C@@H]1C(C)(C)C ZINC000038066635 174078605 /nfs/dbraw/zinc/07/86/05/174078605.db2.gz ORMOMRQPMDMSRM-WOSRLPQWSA-N 1 0 269.429 3.523 10 0 CHAERO C[NH2+]Cc1cc(-c2cc(C)ccc2F)ccc1OC ZINC000038070336 174081571 /nfs/dbraw/zinc/08/15/71/174081571.db2.gz BXNPFNSRYDNGNV-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO Fc1cc(F)cc(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000038070245 174081666 /nfs/dbraw/zinc/08/16/66/174081666.db2.gz HGOZHXJETYTTDN-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO CC[C@H]([NH3+])c1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000038072948 174083260 /nfs/dbraw/zinc/08/32/60/174083260.db2.gz IHZWXNDODJUTID-INIZCTEOSA-N 1 0 253.345 3.698 10 0 CHAERO CCC[NH2+][C@@H](CC)c1ccc(-c2cnn(C)c2)cc1 ZINC000038073111 174083474 /nfs/dbraw/zinc/08/34/74/174083474.db2.gz KFXINGKQAFBDEE-INIZCTEOSA-N 1 0 257.381 3.538 10 0 CHAERO CC[C@@H]([NH3+])c1cccc(-c2ccc(OC)cc2F)c1 ZINC000038073777 174083722 /nfs/dbraw/zinc/08/37/22/174083722.db2.gz YTPQCTDTHAVYFA-MRXNPFEDSA-N 1 0 259.324 3.911 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccc(OC)cc2F)cc1 ZINC000038073751 174083906 /nfs/dbraw/zinc/08/39/06/174083906.db2.gz NGBIXRRCILGRTN-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO CC[NH2+]Cc1cccc(-c2ccc(OC)cc2F)c1 ZINC000038073786 174083946 /nfs/dbraw/zinc/08/39/46/174083946.db2.gz RKMDBCHOYLZXML-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO CC[NH2+][C@H]1COc2c1cc1ccccc1c2Br ZINC000038077580 174087980 /nfs/dbraw/zinc/08/79/80/174087980.db2.gz RCYHPLFUXDQUDG-LBPRGKRZSA-N 1 0 292.176 3.645 10 0 CHAERO CCC[NH2+][C@@H](c1ccccn1)c1ccccc1Cl ZINC000038078540 174088715 /nfs/dbraw/zinc/08/87/15/174088715.db2.gz UETRKXKNPZSOPK-OAHLLOKOSA-N 1 0 260.768 3.824 10 0 CHAERO CC(C)CCC[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000038093643 174107409 /nfs/dbraw/zinc/10/74/09/174107409.db2.gz DFAZMVYYKZTSSO-AWEZNQCLSA-N 1 0 277.437 3.597 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c(C)c1 ZINC000038095610 174109317 /nfs/dbraw/zinc/10/93/17/174109317.db2.gz VGCJUSDMNRQVJL-CVEARBPZSA-N 1 0 261.409 3.832 10 0 CHAERO [NH3+][C@H](Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000038127178 174131961 /nfs/dbraw/zinc/13/19/61/174131961.db2.gz NHSUGWAVEPJRGB-CQSZACIVSA-N 1 0 265.278 3.948 10 0 CHAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccc(C)o1 ZINC000038131678 174132672 /nfs/dbraw/zinc/13/26/72/174132672.db2.gz XIICIQOMXOCVPB-ZDUSSCGKSA-N 1 0 267.731 3.884 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1F)c1cc(F)cc(F)c1 ZINC000038135604 174133009 /nfs/dbraw/zinc/13/30/09/174133009.db2.gz SUNGSPUICORGIU-OAHLLOKOSA-N 1 0 265.278 3.607 10 0 CHAERO C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000039789085 174173390 /nfs/dbraw/zinc/17/33/90/174173390.db2.gz MVJRDXHZOPQSGC-TYNCELHUSA-N 1 0 266.816 3.603 10 0 CHAERO Clc1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1O2 ZINC000040135814 174193956 /nfs/dbraw/zinc/19/39/56/174193956.db2.gz DQUCRGAOGUQHJQ-KGLIPLIRSA-N 1 0 271.747 3.916 10 0 CHAERO CC(C)[C@H]([NH3+])c1nc2ccccc2n1Cc1ccccc1 ZINC000040163887 174196950 /nfs/dbraw/zinc/19/69/50/174196950.db2.gz XTPICPNVOPNADJ-KRWDZBQOSA-N 1 0 279.387 3.740 10 0 CHAERO Cc1cccc(-c2nc3ccccc3n2CCC[NH+](C)C)c1 ZINC000040389668 174252143 /nfs/dbraw/zinc/25/21/43/174252143.db2.gz XCBATOMKXWDCLC-UHFFFAOYSA-N 1 0 293.414 3.963 10 0 CHAERO CC[NH+](CC)CCn1c(C)nc2cc(C(F)(F)F)ccc21 ZINC000040405330 174253961 /nfs/dbraw/zinc/25/39/61/174253961.db2.gz COBAZTHRTSORHQ-UHFFFAOYSA-N 1 0 299.340 3.705 10 0 CHAERO COc1cc(Cl)cc(C[NH2+]C(C)C)c1OC(C)C ZINC000040728386 174387855 /nfs/dbraw/zinc/38/78/55/174387855.db2.gz XOHUVMOHJPQXQX-UHFFFAOYSA-N 1 0 271.788 3.634 10 0 CHAERO CCC[NH+](CCC)CC[C@H](O)c1ccc(Cl)cc1 ZINC000041144965 174496056 /nfs/dbraw/zinc/49/60/56/174496056.db2.gz QRJVWQJIKQRPAB-HNNXBMFYSA-N 1 0 269.816 3.886 10 0 CHAERO CC(C)C[NH2+]CCCOc1ccc2c(c1)CCCC2 ZINC000041352529 174531357 /nfs/dbraw/zinc/53/13/57/174531357.db2.gz RRLYKUAEYPHNMZ-UHFFFAOYSA-N 1 0 261.409 3.580 10 0 CHAERO C[NH2+]C[C@@H](C)CCOc1ccc(Cl)c(Cl)c1 ZINC000041353006 174531752 /nfs/dbraw/zinc/53/17/52/174531752.db2.gz FHOCLCCVINSLNZ-VIFPVBQESA-N 1 0 262.180 3.618 10 0 CHAERO Cc1cccc(C[C@H](C[NH3+])Cc2cc(C)ccc2C)c1 ZINC000041386084 174542375 /nfs/dbraw/zinc/54/23/75/174542375.db2.gz XFXAANFQPILVGL-SFHVURJKSA-N 1 0 267.416 3.972 10 0 CHAERO Cc1ccc(C)c(C[C@H](C[NH3+])Cc2cccc(F)c2)c1 ZINC000041404730 174546987 /nfs/dbraw/zinc/54/69/87/174546987.db2.gz ZBURDCIRKZNQJK-MRXNPFEDSA-N 1 0 271.379 3.803 10 0 CHAERO Clc1cccc(NCCC[NH+]2CCCC2)c1Cl ZINC000041408936 174547698 /nfs/dbraw/zinc/54/76/98/174547698.db2.gz XOGOZXPSRBVVDM-UHFFFAOYSA-N 1 0 273.207 3.891 10 0 CHAERO C[NH2+]C[C@@H](c1ccc(Br)cc1)C1CCCC1 ZINC000041438931 174553081 /nfs/dbraw/zinc/55/30/81/174553081.db2.gz GEDPUDFZQGVSDD-CQSZACIVSA-N 1 0 282.225 3.942 10 0 CHAERO CC(C)Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000042245305 174664480 /nfs/dbraw/zinc/66/44/80/174664480.db2.gz YAPNUWIPZJKKEH-YJBOKZPZSA-N 1 0 275.436 3.793 10 0 CHAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(Cl)c(N)c1 ZINC000042601490 174817125 /nfs/dbraw/zinc/81/71/25/174817125.db2.gz WTACIMRYIURUMD-ABAIWWIYSA-N 1 0 266.816 3.933 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000042916348 174916240 /nfs/dbraw/zinc/91/62/40/174916240.db2.gz HGPFZEFCGOXPKU-MEBBXXQBSA-N 1 0 279.742 3.946 10 0 CHAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC(F)(F)F ZINC000042945516 174920966 /nfs/dbraw/zinc/92/09/66/174920966.db2.gz APPLCOZQJLGAQL-NWDGAFQWSA-N 1 0 294.748 3.613 10 0 CHAERO C[C@H]1CCC[C@H](O[C@@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000042949357 174923274 /nfs/dbraw/zinc/92/32/74/174923274.db2.gz BMMCJGAUXVUXCE-CQDKDKBSSA-N 1 0 267.800 3.935 10 0 CHAERO Cc1csc(S[C@H](c2cccc(C)c2)[C@H](C)[NH3+])n1 ZINC000042969901 174932945 /nfs/dbraw/zinc/93/29/45/174932945.db2.gz PSCKEKZMPAWKSN-AAEUAGOBSA-N 1 0 278.446 3.941 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1)c1ccccc1F ZINC000043047081 174957437 /nfs/dbraw/zinc/95/74/37/174957437.db2.gz RDMSMBJAACLZRP-HZPDHXFCSA-N 1 0 259.324 3.683 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1F)c1ccccc1Cl ZINC000043086867 174962899 /nfs/dbraw/zinc/96/28/99/174962899.db2.gz COCBLLWWNMRLRZ-MEBBXXQBSA-N 1 0 279.742 3.946 10 0 CHAERO Cc1nnc(S[C@H](c2ccccc2Cl)[C@H](C)[NH3+])s1 ZINC000043089983 174964245 /nfs/dbraw/zinc/96/42/45/174964245.db2.gz ZVEVYDYNFIYBGG-CPCISQLKSA-N 1 0 299.852 3.681 10 0 CHAERO C[C@H]([NH3+])[C@H](c1cccs1)N(Cc1ccsc1)C1CC1 ZINC000043105539 174970128 /nfs/dbraw/zinc/97/01/28/174970128.db2.gz UMWHELFAJPMWKA-XHDPSFHLSA-N 1 0 292.473 3.863 10 0 CHAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(CC)Cc1ccco1 ZINC000043105371 174970324 /nfs/dbraw/zinc/97/03/24/174970324.db2.gz YQDCOROWGQKNTC-UKRRQHHQSA-N 1 0 278.421 3.642 10 0 CHAERO CCC[C@H](CCc1sccc1Br)[NH2+]C ZINC000043676196 175088201 /nfs/dbraw/zinc/08/82/01/175088201.db2.gz OKWBPMXNYWKGRO-SECBINFHSA-N 1 0 276.243 3.831 10 0 CHAERO CCCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH2+]C ZINC000043460266 175051258 /nfs/dbraw/zinc/05/12/58/175051258.db2.gz WRXWJYPLIBSUBH-AWEZNQCLSA-N 1 0 263.381 3.687 10 0 CHAERO CCCC[N@H+](C)C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000044122775 175143227 /nfs/dbraw/zinc/14/32/27/175143227.db2.gz LBZPXBMCGUPTPB-MRXNPFEDSA-N 1 0 263.425 3.749 10 0 CHAERO Cc1ccc([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000044121808 175143338 /nfs/dbraw/zinc/14/33/38/175143338.db2.gz GPMJRLGIOJCSKF-UXLLHSPISA-N 1 0 261.409 3.600 10 0 CHAERO [NH3+]CCc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000044422323 175174337 /nfs/dbraw/zinc/17/43/37/175174337.db2.gz VVCYNAOQTKERIV-UHFFFAOYSA-N 1 0 279.742 3.559 10 0 CHAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1Cc1cccc(F)c1 ZINC000044467681 175177757 /nfs/dbraw/zinc/17/77/57/175177757.db2.gz WILQFXJNZVDJRX-PBHICJAKSA-N 1 0 255.336 3.501 10 0 CHAERO C[C@@H](Cn1c2ccccc2[nH]c1=S)[NH+]1CCCCC1 ZINC000045005392 175288213 /nfs/dbraw/zinc/28/82/13/175288213.db2.gz NRRCYYOYIXHIBI-LBPRGKRZSA-N 1 0 275.421 3.573 10 0 CHAERO COc1cc2c(cc1Cl)CC[NH2+][C@@H]2Cc1ccccc1 ZINC000045283377 175353292 /nfs/dbraw/zinc/35/32/92/175353292.db2.gz JWQPRNMHWLPRTR-MRXNPFEDSA-N 1 0 287.790 3.778 10 0 CHAERO Cn1cc(C[NH2+]CCc2ccccc2F)c2ccccc21 ZINC000045945015 175387529 /nfs/dbraw/zinc/38/75/29/175387529.db2.gz KHHCLWIBNIFQCE-UHFFFAOYSA-N 1 0 282.362 3.650 10 0 CHAERO C[NH2+][C@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000070840793 176008573 /nfs/dbraw/zinc/00/85/73/176008573.db2.gz PSVHIUIWKDOPNA-MRVPVSSYSA-N 1 0 252.770 3.744 10 0 CHAERO CCC[NH2+][C@H](CCc1cc(F)ccc1F)C1CC1 ZINC000070940913 176014517 /nfs/dbraw/zinc/01/45/17/176014517.db2.gz JTNLCJXCNUDNFP-OAHLLOKOSA-N 1 0 253.336 3.676 10 0 CHAERO CCC[NH2+]CCC[C@@H](C)Oc1cc(F)ccc1F ZINC000071168806 176049845 /nfs/dbraw/zinc/04/98/45/176049845.db2.gz FNVOXZIIWDREEC-LLVKDONJSA-N 1 0 257.324 3.512 10 0 CHAERO C[C@H]1CCC[C@H]1NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000071208732 176081232 /nfs/dbraw/zinc/08/12/32/176081232.db2.gz LNFXMHZRGLMFJT-IACUBPJLSA-N 1 0 260.406 3.609 10 0 CHAERO COc1cc(Cl)c([C@@H]([NH3+])C2CCC2)cc1Cl ZINC000071586004 176211942 /nfs/dbraw/zinc/21/19/42/176211942.db2.gz OJVMQEJCUKHQER-LBPRGKRZSA-N 1 0 260.164 3.802 10 0 CHAERO [NH3+]C[C@H](c1cc(Br)cs1)C1CCCC1 ZINC000071613977 176233646 /nfs/dbraw/zinc/23/36/46/176233646.db2.gz PCWNXVFPZBTDTR-JTQLQIEISA-N 1 0 274.227 3.743 10 0 CHAERO COc1cc2c(cc1OC)C1(CCCC1)C[NH2+][C@H]2C1CC1 ZINC000071643898 176239528 /nfs/dbraw/zinc/23/95/28/176239528.db2.gz YXIAMXJSTWXHAO-KRWDZBQOSA-N 1 0 287.403 3.570 10 0 CHAERO COc1ccc(-c2cccc3c2CC[NH2+]C3)c2cccnc12 ZINC000071757043 176260794 /nfs/dbraw/zinc/26/07/94/176260794.db2.gz ZFVVLNQMERMZBR-UHFFFAOYSA-N 1 0 290.366 3.556 10 0 CHAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@H](c1ccc(C(C)C)cc1)C2 ZINC000072415305 176399412 /nfs/dbraw/zinc/39/94/12/176399412.db2.gz VTLNNIHHJQNJLP-GJZGRUSLSA-N 1 0 269.392 3.571 10 0 CHAERO Clc1cc(Br)cc2c1CC[NH2+][C@H]2C1CC1 ZINC000075743418 176770940 /nfs/dbraw/zinc/77/09/40/176770940.db2.gz DIBPVPADTLDPPT-LBPRGKRZSA-N 1 0 286.600 3.699 10 0 CHAERO CC(C)(C)[NH2+]CCCCc1ccc2c(c1)CCCO2 ZINC000076351552 176996301 /nfs/dbraw/zinc/99/63/01/176996301.db2.gz CJXCRPJKQFRRDN-UHFFFAOYSA-N 1 0 261.409 3.722 10 0 CHAERO COc1c(C)cc(Cl)cc1[C@H](C)CC[NH2+]C1CC1 ZINC000076397635 177015121 /nfs/dbraw/zinc/01/51/21/177015121.db2.gz QMFVHRLFOCORCN-SNVBAGLBSA-N 1 0 267.800 3.903 10 0 CHAERO CC(C)[C@@H]([NH3+])CSc1ccc(Br)cc1 ZINC000076420552 177023262 /nfs/dbraw/zinc/02/32/62/177023262.db2.gz RRAVRQPSXYRFQE-NSHDSACASA-N 1 0 274.227 3.525 10 0 CHAERO CC1CCC(C[NH3+])(c2ccccc2Br)CC1 ZINC000076480195 177026067 /nfs/dbraw/zinc/02/60/67/177026067.db2.gz LCNFVYULOJTPEH-UHFFFAOYSA-N 1 0 282.225 3.856 10 0 CHAERO CCOc1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1F ZINC000076657485 177046443 /nfs/dbraw/zinc/04/64/43/177046443.db2.gz XXNNUEIAZGJGIT-GFCCVEGCSA-N 1 0 253.361 3.703 10 0 CHAERO CCc1ccc([C@@H](C[NH3+])CCc2ccccc2)cc1 ZINC000076657545 177046524 /nfs/dbraw/zinc/04/65/24/177046524.db2.gz BMAAKWLKMXEYIM-GOSISDBHSA-N 1 0 253.389 3.924 10 0 CHAERO Cc1cccc(OC[C@H](CC[NH3+])c2ccccc2)c1 ZINC000076660478 177048513 /nfs/dbraw/zinc/04/85/13/177048513.db2.gz GZDASYVMYNWDJE-INIZCTEOSA-N 1 0 255.361 3.506 10 0 CHAERO Cc1ccc(OC[C@@H](CC[NH3+])c2ccccc2)cc1 ZINC000076660481 177048526 /nfs/dbraw/zinc/04/85/26/177048526.db2.gz KDEMERIMRSADPO-MRXNPFEDSA-N 1 0 255.361 3.506 10 0 CHAERO Cc1ccc(OCC[C@H](C[NH3+])c2cccs2)cc1 ZINC000076672999 177054891 /nfs/dbraw/zinc/05/48/91/177054891.db2.gz QWMBXDCWMXLCOZ-CYBMUJFWSA-N 1 0 261.390 3.568 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccccc1Cl)c1ccccn1 ZINC000076722103 177069844 /nfs/dbraw/zinc/06/98/44/177069844.db2.gz WBLSDMHCQSDMRY-CQSZACIVSA-N 1 0 274.795 3.800 10 0 CHAERO Cc1c(Cl)cccc1NC(=O)C[C@H](C[NH3+])CC(C)C ZINC000076763252 177086395 /nfs/dbraw/zinc/08/63/95/177086395.db2.gz AUVGNMOUYNIDAU-GFCCVEGCSA-N 1 0 282.815 3.598 10 0 CHAERO CC[NH2+][C@@H](C)c1csc(-c2cccc(OCC)c2)n1 ZINC000076784593 177091526 /nfs/dbraw/zinc/09/15/26/177091526.db2.gz VRMHDOIOCFDEHW-NSHDSACASA-N 1 0 276.405 3.879 10 0 CHAERO CCc1ccc2oc(C[NH2+]CC(C)C)c(COC)c2c1 ZINC000077070749 177186529 /nfs/dbraw/zinc/18/65/29/177186529.db2.gz CQFZDKHNEFSMCF-UHFFFAOYSA-N 1 0 275.392 3.887 10 0 CHAERO Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000171652040 335073282 /nfs/dbraw/zinc/07/32/82/335073282.db2.gz NJFMGKZONQSLSR-DLBZAZTESA-N 1 0 295.430 3.885 10 0 CHAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191694594 227131156 /nfs/dbraw/zinc/13/11/56/227131156.db2.gz VIDUDMRWXHNQOD-YLWLKBPMSA-N 1 0 280.618 3.662 10 0 CHAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000036281600 260036235 /nfs/dbraw/zinc/03/62/35/260036235.db2.gz DBWSPRZXOFCSQT-UHFFFAOYSA-N 1 0 288.778 3.702 10 0 CHAERO Cc1ccc(C[NH2+][C@@H]2COc3ccccc32)c(C)c1 ZINC000070070353 260151217 /nfs/dbraw/zinc/15/12/17/260151217.db2.gz MKPBFYDBYOJNGF-MRXNPFEDSA-N 1 0 253.345 3.527 10 0 CHAERO CCCCC1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000070176573 260153250 /nfs/dbraw/zinc/15/32/50/260153250.db2.gz OYNHFBHMWAAMTJ-RDHHWEPZSA-N 1 0 294.483 3.569 10 0 CHAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CO)o2)cc1 ZINC000077897854 260167351 /nfs/dbraw/zinc/16/73/51/260167351.db2.gz DJVHOEZPTREVPM-CYBMUJFWSA-N 1 0 273.376 3.746 10 0 CHAERO CC[C@H]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)C1 ZINC000078005403 260168068 /nfs/dbraw/zinc/16/80/68/260168068.db2.gz LWLQEMWUHLCTNK-GJZGRUSLSA-N 1 0 271.408 3.595 10 0 CHAERO CN1C(=O)C[C@H]([NH2+]C2CCC(C)(C)CC2)c2ccccc21 ZINC000079677137 260177182 /nfs/dbraw/zinc/17/71/82/260177182.db2.gz QYPUTIVBZRKTJZ-HNNXBMFYSA-N 1 0 286.419 3.653 10 0 CHAERO CCCn1ccc(C[NH2+]CCCN(C)c2ccccc2)c1 ZINC000091009090 260264589 /nfs/dbraw/zinc/26/45/89/260264589.db2.gz UNJSHPTWWRJZLF-UHFFFAOYSA-N 1 0 285.435 3.514 10 0 CHAERO CCn1cccc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000091025181 260265277 /nfs/dbraw/zinc/26/52/77/260265277.db2.gz YXHFDJMZUNURIO-RYUDHWBXSA-N 1 0 274.330 3.719 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092195301 260269104 /nfs/dbraw/zinc/26/91/04/260269104.db2.gz IQXKOMGDVPNQJM-STQMWFEESA-N 1 0 258.340 3.941 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000093248820 260273348 /nfs/dbraw/zinc/27/33/48/260273348.db2.gz JDUBZRXOVHDMSM-APWZRJJASA-N 1 0 281.399 3.711 10 0 CHAERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC000040502236 260285159 /nfs/dbraw/zinc/28/51/59/260285159.db2.gz HAHHIUWJYSAUQH-HZPDHXFCSA-N 1 0 280.843 3.865 10 0 CHAERO C[C@@H](C(=O)Nc1ccccc1Cl)[C@H]([NH3+])c1ccccc1 ZINC000130066543 260393102 /nfs/dbraw/zinc/39/31/02/260393102.db2.gz KUAIJHQNGSLNCW-ABAIWWIYSA-N 1 0 288.778 3.615 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]CCn1cccn1)c1ccccc1 ZINC000175172718 261210638 /nfs/dbraw/zinc/21/06/38/261210638.db2.gz AUYHHRCJQJMAJK-LJQANCHMSA-N 1 0 291.398 3.571 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccccc1Cl ZINC000177359048 261350338 /nfs/dbraw/zinc/35/03/38/261350338.db2.gz LYKYDQQBPHHLSU-YWPYICTPSA-N 1 0 267.800 3.542 10 0 CHAERO CCC1(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CCC1 ZINC000177486605 261358042 /nfs/dbraw/zinc/35/80/42/261358042.db2.gz OJOJIQIYQZOYDF-AWEZNQCLSA-N 1 0 297.402 3.630 10 0 CHAERO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000178590369 261751989 /nfs/dbraw/zinc/75/19/89/261751989.db2.gz OQAPMCGVCLMFMN-WDEREUQCSA-N 1 0 273.779 3.945 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(OC)c1)C(C)C ZINC000212737686 262173909 /nfs/dbraw/zinc/17/39/09/262173909.db2.gz OZHHFOKRBVTFAQ-FZMZJTMJSA-N 1 0 253.361 3.920 10 0 CHAERO COc1ccccc1[C@H](C)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120420996 262194823 /nfs/dbraw/zinc/19/48/23/262194823.db2.gz ONIOWKCRVIAHAW-YJBOKZPZSA-N 1 0 298.430 3.649 10 0 CHAERO CCc1ccc(C[NH2+][C@H](C)COCc2ccccc2)cc1 ZINC000390573479 262221834 /nfs/dbraw/zinc/22/18/34/262221834.db2.gz DAZUXYHXICDRQA-MRXNPFEDSA-N 1 0 283.415 3.944 10 0 CHAERO CCc1ccc(C[NH2+][C@@H](C)COCc2ccccc2)cc1 ZINC000390573477 262222185 /nfs/dbraw/zinc/22/21/85/262222185.db2.gz DAZUXYHXICDRQA-INIZCTEOSA-N 1 0 283.415 3.944 10 0 CHAERO Cc1ccc(C)c(C[NH2+][C@@H](C)COCc2ccccc2)c1 ZINC000390591967 262225305 /nfs/dbraw/zinc/22/53/05/262225305.db2.gz QLCUVJYJFQNTEH-KRWDZBQOSA-N 1 0 283.415 3.998 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1cccc(C)c1 ZINC000311338666 262237699 /nfs/dbraw/zinc/23/76/99/262237699.db2.gz JQQALIBXSJHDME-IRXDYDNUSA-N 1 0 260.425 3.520 10 0 CHAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000521432115 262333473 /nfs/dbraw/zinc/33/34/73/262333473.db2.gz MWLVAUIVGHKEFE-PWSUYJOCSA-N 1 0 292.732 3.946 10 0 CHAERO CC[C@@H](CO)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000021012519 262373564 /nfs/dbraw/zinc/37/35/64/262373564.db2.gz KDGSXWGPZAVWPS-PKOBYXMFSA-N 1 0 283.415 3.753 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061328030 262394040 /nfs/dbraw/zinc/39/40/40/262394040.db2.gz ONRYWDGPVBLQKE-DZGCQCFKSA-N 1 0 280.481 3.691 10 0 CHAERO CC(C)OC1CC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000189516485 264303141 /nfs/dbraw/zinc/30/31/41/264303141.db2.gz OWAIIDWUPKWNQM-OKZRHMCRSA-N 1 0 279.346 3.653 10 0 CHAERO CC(C)OC1CC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000189516442 264303366 /nfs/dbraw/zinc/30/33/66/264303366.db2.gz OWAIIDWUPKWNQM-ZFDZMSFRSA-N 1 0 279.346 3.653 10 0 CHAERO C[C@H](Nc1cccc(C2CCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000519596381 265486824 /nfs/dbraw/zinc/48/68/24/265486824.db2.gz PGLLQFHKDDEPTB-XJKSGUPXSA-N 1 0 258.409 3.754 10 0 CHAERO Cc1ccccc1OCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482380 266296957 /nfs/dbraw/zinc/29/69/57/266296957.db2.gz LPLSYYDGGWNOKN-KRWDZBQOSA-N 1 0 299.418 3.714 10 0 CHAERO Cc1cnccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000228656717 266349977 /nfs/dbraw/zinc/34/99/77/266349977.db2.gz NBTQBGNNCXJPSG-LLVKDONJSA-N 1 0 262.303 3.519 10 0 CHAERO C[C@@H]1CC(C[NH2+]C2CC(c3ccccc3)C2)C[C@@H](C)O1 ZINC000369860408 267272005 /nfs/dbraw/zinc/27/20/05/267272005.db2.gz CEWZYEQOQNYKLY-JDPPGYRCSA-N 1 0 273.420 3.726 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000397587050 327832512 /nfs/dbraw/zinc/83/25/12/327832512.db2.gz AVHXDDZYXTXFIE-FMKPAKJESA-N 1 0 261.409 3.616 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000397587051 327832624 /nfs/dbraw/zinc/83/26/24/327832624.db2.gz AVHXDDZYXTXFIE-IIAWOOMASA-N 1 0 261.409 3.616 10 0 CHAERO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000040773798 328018008 /nfs/dbraw/zinc/01/80/08/328018008.db2.gz TTWGDSDOXVHQLB-KBXCAEBGSA-N 1 0 271.404 3.897 10 0 CHAERO C[C@H]([NH3+])CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000040856011 328021609 /nfs/dbraw/zinc/02/16/09/328021609.db2.gz RHDDEZAKUZDNSZ-LBPRGKRZSA-N 1 0 286.400 3.514 10 0 CHAERO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000289997593 328257314 /nfs/dbraw/zinc/25/73/14/328257314.db2.gz STUZMZFDZSQZRQ-CYBMUJFWSA-N 1 0 257.381 3.692 10 0 CHAERO Cc1ccc(C[NH2+][C@H](CN(C)C)c2ccccc2)cc1F ZINC000110974737 328322886 /nfs/dbraw/zinc/32/28/86/328322886.db2.gz QAVBFDIUXOELKE-GOSISDBHSA-N 1 0 286.394 3.527 10 0 CHAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)CC2CC2)c1 ZINC000070101300 328390412 /nfs/dbraw/zinc/39/04/12/328390412.db2.gz XUBOYQRTXDPQTJ-RYUDHWBXSA-N 1 0 263.381 3.543 10 0 CHAERO Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c2ccccc2n1 ZINC000172075655 335093698 /nfs/dbraw/zinc/09/36/98/335093698.db2.gz ZCRPDMRDFQKDGN-RBUKOAKNSA-N 1 0 296.414 3.687 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037321507 326845463 /nfs/dbraw/zinc/84/54/63/326845463.db2.gz LJEAUFITPCSQDU-KRWDZBQOSA-N 1 0 292.467 3.540 10 0 CHAERO Cc1cnn([C@H]2CCC[N@H+](C/C=C\c3ccc(F)cc3)C2)c1 ZINC000255839006 327019775 /nfs/dbraw/zinc/01/97/75/327019775.db2.gz ISDCCBNVROYUMQ-VEXQSBSHSA-N 1 0 299.393 3.681 10 0 CHAERO CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1=CCCC1 ZINC000308766963 332783819 /nfs/dbraw/zinc/78/38/19/332783819.db2.gz FKWNOHFDWVUWCA-ZNMIVQPWSA-N 1 0 263.425 3.526 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000070345855 328608600 /nfs/dbraw/zinc/60/86/00/328608600.db2.gz GFIBLULGPDEMFT-COPLHBTASA-N 1 0 253.773 3.558 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CCO1 ZINC000389139742 328629314 /nfs/dbraw/zinc/62/93/14/328629314.db2.gz RWCTWFIWJACOEI-KBXIAJHMSA-N 1 0 253.430 3.606 10 0 CHAERO C[C@H]1C[C@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000052273282 328641993 /nfs/dbraw/zinc/64/19/93/328641993.db2.gz PIWNBEHMUNHVKO-IEXPGBGJSA-N 1 0 280.209 3.693 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000300414866 332814893 /nfs/dbraw/zinc/81/48/93/332814893.db2.gz QHRJATMSZHAHIO-OWCLPIDISA-N 1 0 267.457 3.854 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000300415981 332815157 /nfs/dbraw/zinc/81/51/57/332815157.db2.gz BBWZFWXGMOUIMV-BPQIPLTHSA-N 1 0 266.388 3.949 10 0 CHAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000102686947 328714164 /nfs/dbraw/zinc/71/41/64/328714164.db2.gz XDXMOKWNXQVXON-AWEZNQCLSA-N 1 0 298.430 3.795 10 0 CHAERO FC1(F)CCC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000532627212 328793300 /nfs/dbraw/zinc/79/33/00/328793300.db2.gz DYXGMRLAAYOFMW-CYBMUJFWSA-N 1 0 276.330 3.902 10 0 CHAERO CC(C)Oc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000171037564 329074196 /nfs/dbraw/zinc/07/41/96/329074196.db2.gz YHSCQKOPDLLOGA-UHFFFAOYSA-N 1 0 299.418 3.577 10 0 CHAERO CCc1csc([C@@H]2CCC[N@H+](CCCOC(C)C)C2)n1 ZINC000171500972 329076802 /nfs/dbraw/zinc/07/68/02/329076802.db2.gz HRSIPDQRWNEDOC-CQSZACIVSA-N 1 0 296.480 3.700 10 0 CHAERO C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CCS1 ZINC000171691295 329078510 /nfs/dbraw/zinc/07/85/10/329078510.db2.gz ULAXOCBYCOPXBD-NSHDSACASA-N 1 0 292.835 3.826 10 0 CHAERO CC(C)[C@@H](C)CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177231753 329182236 /nfs/dbraw/zinc/18/22/36/329182236.db2.gz ZOPZCRUQSKHYJE-HNNXBMFYSA-N 1 0 294.483 3.582 10 0 CHAERO c1ccc2oc([C@@H]3CCC[N@@H+](C4CCC4)C3)nc2c1 ZINC000178999918 329203597 /nfs/dbraw/zinc/20/35/97/329203597.db2.gz NHUWILIVEVTWDY-GFCCVEGCSA-N 1 0 256.349 3.560 10 0 CHAERO Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)cs1 ZINC000221823253 329218640 /nfs/dbraw/zinc/21/86/40/329218640.db2.gz LVTHARABYSFOOW-BXUZGUMPSA-N 1 0 266.454 3.798 10 0 CHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180503830 329219832 /nfs/dbraw/zinc/21/98/32/329219832.db2.gz LUUFDSGIFSXEGD-ZNMIVQPWSA-N 1 0 292.471 3.521 10 0 CHAERO CC(C)c1ccc([C@H](C)[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000181650603 329235517 /nfs/dbraw/zinc/23/55/17/329235517.db2.gz DVJXDMUOKHWUTO-HNNXBMFYSA-N 1 0 298.434 3.800 10 0 CHAERO Cc1csc([C@@H]2CCC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000184671226 329261843 /nfs/dbraw/zinc/26/18/43/329261843.db2.gz GFJLXYAGIIIYQS-KGLIPLIRSA-N 1 0 294.464 3.589 10 0 CHAERO CC(C)C[C@@H](C)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186058111 329336656 /nfs/dbraw/zinc/33/66/56/329336656.db2.gz HYHSBDBWFZRDHI-CQSZACIVSA-N 1 0 269.392 3.668 10 0 CHAERO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2C)c(C)n1 ZINC000187401976 329357370 /nfs/dbraw/zinc/35/73/70/329357370.db2.gz VXVIPWJZNMNDDG-HNNXBMFYSA-N 1 0 254.377 3.858 10 0 CHAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)c(C)n1 ZINC000187439926 329357614 /nfs/dbraw/zinc/35/76/14/329357614.db2.gz FUYMFVQTKJFTTH-ZDUSSCGKSA-N 1 0 272.367 3.997 10 0 CHAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Cl)cc1Cl ZINC000063191642 329373740 /nfs/dbraw/zinc/37/37/40/329373740.db2.gz UHYFEOSQANFZOV-HZMBPMFUSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000063191510 329373804 /nfs/dbraw/zinc/37/38/04/329373804.db2.gz JXDTZOWGTARQKP-HZMBPMFUSA-N 1 0 287.234 3.695 10 0 CHAERO Cc1ccccc1C[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000188952622 329376179 /nfs/dbraw/zinc/37/61/79/329376179.db2.gz RIXKLDMUGLZUEC-KRWDZBQOSA-N 1 0 267.372 3.917 10 0 CHAERO C[C@H]([NH2+]Cc1noc(-c2ccc(F)cc2F)n1)C(C)(C)C ZINC000189110276 329377943 /nfs/dbraw/zinc/37/79/43/329377943.db2.gz DBKMGBXVXDOYSQ-VIFPVBQESA-N 1 0 295.333 3.539 10 0 CHAERO Cc1cccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000128187308 329605571 /nfs/dbraw/zinc/60/55/71/329605571.db2.gz VXEWCZRKEIYFNC-YOEHRIQHSA-N 1 0 287.451 3.527 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(F)c(F)c(F)c1 ZINC000247199378 329877405 /nfs/dbraw/zinc/87/74/05/329877405.db2.gz UVYGXOARSYALPO-YZENIEGJSA-N 1 0 299.336 3.712 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)[C@H]1CCCO1 ZINC000248564421 329892039 /nfs/dbraw/zinc/89/20/39/329892039.db2.gz DPPKHBASTWKZLP-VNHYZAJKSA-N 1 0 286.375 3.560 10 0 CHAERO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000249954943 329912392 /nfs/dbraw/zinc/91/23/92/329912392.db2.gz JBLAOVBZAKLHMI-CEXWTWQISA-N 1 0 287.447 3.801 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(Cl)s1 ZINC000269040645 330067751 /nfs/dbraw/zinc/06/77/51/330067751.db2.gz UZJBHOVRNOVANW-GARJFASQSA-N 1 0 273.829 3.603 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1ccco1 ZINC000379615237 330141907 /nfs/dbraw/zinc/14/19/07/330141907.db2.gz AKTAEYQPGUCCGF-WMZOPIPTSA-N 1 0 298.430 3.985 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1ccccn1 ZINC000036122777 330249696 /nfs/dbraw/zinc/24/96/96/330249696.db2.gz QIJRPOAMNPDOKT-HYVNUMGLSA-N 1 0 260.425 3.675 10 0 CHAERO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC000036845125 330294296 /nfs/dbraw/zinc/29/42/96/330294296.db2.gz BVNZZHVZAYRVBM-SXSDBLRQSA-N 1 0 279.811 3.743 10 0 CHAERO Cc1csc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000079055092 330330325 /nfs/dbraw/zinc/33/03/25/330330325.db2.gz GKOGCADOGRHVRI-UWVGGRQHSA-N 1 0 278.343 3.662 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044674138 330331619 /nfs/dbraw/zinc/33/16/19/330331619.db2.gz AYWVGPXQTYCBNI-VHSSKADRSA-N 1 0 267.372 3.902 10 0 CHAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H]3CCCc4ccccc43)C2)c1 ZINC000106221242 330333781 /nfs/dbraw/zinc/33/37/81/330333781.db2.gz JVFIFNNMFGURMR-PKOBYXMFSA-N 1 0 295.430 3.906 10 0 CHAERO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CCOCC2)CC1 ZINC000086946965 330371398 /nfs/dbraw/zinc/37/13/98/330371398.db2.gz FYLLQUPGFVBOEK-JKSUJKDBSA-N 1 0 253.430 3.608 10 0 CHAERO C[C@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000087758690 330374348 /nfs/dbraw/zinc/37/43/48/330374348.db2.gz JVOUQBAWEWVCCO-ZANVPECISA-N 1 0 274.191 3.651 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccncc1Cl ZINC000088781298 330378729 /nfs/dbraw/zinc/37/87/29/330378729.db2.gz SZKPVVWSOGTZHM-LBPRGKRZSA-N 1 0 260.768 3.894 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc2ccccc2c1 ZINC000119816946 330380139 /nfs/dbraw/zinc/38/01/39/330380139.db2.gz GSRWLPVCRCZARA-GDZNZVCISA-N 1 0 255.361 3.668 10 0 CHAERO CC(C)c1nc([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cs1 ZINC000090048454 330389996 /nfs/dbraw/zinc/38/99/96/330389996.db2.gz MEANWLOJAUKXRJ-IHRRRGAJSA-N 1 0 295.496 3.646 10 0 CHAERO CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1nccs1 ZINC000090976810 330397322 /nfs/dbraw/zinc/39/73/22/330397322.db2.gz CCOLJFQGVYCNLJ-GXTWGEPZSA-N 1 0 258.390 3.524 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1cnn(C)c1 ZINC000090964352 330397344 /nfs/dbraw/zinc/39/73/44/330397344.db2.gz FFMCLYBBXXSCLA-IRXDYDNUSA-N 1 0 287.382 3.678 10 0 CHAERO CC[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1nccs1 ZINC000090976812 330397347 /nfs/dbraw/zinc/39/73/47/330397347.db2.gz CCOLJFQGVYCNLJ-TZMCWYRMSA-N 1 0 258.390 3.524 10 0 CHAERO Cc1csc(C2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000092787522 330413516 /nfs/dbraw/zinc/41/35/16/330413516.db2.gz VNUYPEDVBQTSNL-UHFFFAOYSA-N 1 0 278.446 3.893 10 0 CHAERO CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085975375 330493116 /nfs/dbraw/zinc/49/31/16/330493116.db2.gz RLEMTJYYHCUZFK-BBRMVZONSA-N 1 0 287.403 3.636 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000162529789 330925839 /nfs/dbraw/zinc/92/58/39/330925839.db2.gz MEGCZQGFMOZRAI-NOZJJQNGSA-N 1 0 291.288 3.502 10 0 CHAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)CC2 ZINC000163848196 331134571 /nfs/dbraw/zinc/13/45/71/331134571.db2.gz XNHDAEWMODBXKS-PMACEKPBSA-N 1 0 294.442 3.875 10 0 CHAERO O=C(C[NH2+]C1(C2CCC2)CCC1)Nc1ccc(Cl)cc1 ZINC000459758725 331298868 /nfs/dbraw/zinc/29/88/68/331298868.db2.gz HXQPGHWLQLQWNZ-UHFFFAOYSA-N 1 0 292.810 3.591 10 0 CHAERO CCC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000166060846 331306492 /nfs/dbraw/zinc/30/64/92/331306492.db2.gz URXSVHNEJZYCSQ-IEBWSBKVSA-N 1 0 283.415 3.835 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC000466408740 331395537 /nfs/dbraw/zinc/39/55/37/331395537.db2.gz IDKDHFSDYPGQNO-MHDGFBEUSA-N 1 0 293.373 3.901 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000466411152 331395758 /nfs/dbraw/zinc/39/57/58/331395758.db2.gz XMYCSFZDVKLULG-QWRGUYRKSA-N 1 0 285.790 3.772 10 0 CHAERO Cc1cc(C)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000466423940 331396474 /nfs/dbraw/zinc/39/64/74/331396474.db2.gz BTTPBRNEDIOOQU-SCAQPMJSSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000466426719 331396763 /nfs/dbraw/zinc/39/67/63/331396763.db2.gz SEBJJWQBNIRUBA-UTHRFFRBSA-N 1 0 253.430 3.604 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2O)c2ccccc21 ZINC000252867036 334397837 /nfs/dbraw/zinc/39/78/37/334397837.db2.gz MSUHZUCQLLFHDN-QCSYZSNVSA-N 1 0 273.420 3.908 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(Cl)s1 ZINC000248178613 334296823 /nfs/dbraw/zinc/29/68/23/334296823.db2.gz WADZOQLLHMWNGJ-GARJFASQSA-N 1 0 273.829 3.746 10 0 CHAERO CCc1nc(C2([NH2+]C[C@@H](C)c3ccccc3)CCCC2)no1 ZINC000174238964 332994446 /nfs/dbraw/zinc/99/44/46/332994446.db2.gz WEQXYEPDEMXWIS-CQSZACIVSA-N 1 0 299.418 3.795 10 0 CHAERO CC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309812842 333049812 /nfs/dbraw/zinc/04/98/12/333049812.db2.gz XBDQHBHLTUUSJG-DSLXNQLJSA-N 1 0 286.463 3.533 10 0 CHAERO COc1cccc([C@H](C)[NH2+][C@@H](C)COCc2ccccc2)c1 ZINC000177385522 333058233 /nfs/dbraw/zinc/05/82/33/333058233.db2.gz LUPITMAPMSLBKH-HOTGVXAUSA-N 1 0 299.414 3.951 10 0 CHAERO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000311288414 333066668 /nfs/dbraw/zinc/06/66/68/333066668.db2.gz PEWURVFCXJCEEA-YLFCFFPRSA-N 1 0 267.457 3.684 10 0 CHAERO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178699550 333077050 /nfs/dbraw/zinc/07/70/50/333077050.db2.gz BSKHSUUHUOTDKH-FRFSOERESA-N 1 0 277.383 3.514 10 0 CHAERO CC/C=C/CC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000184494057 333129390 /nfs/dbraw/zinc/12/93/90/333129390.db2.gz WPZMKKIGAWOUMB-NNTXTVRGSA-N 1 0 264.438 3.987 10 0 CHAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000219006218 333140222 /nfs/dbraw/zinc/14/02/22/333140222.db2.gz CULPMWJEEYMKHU-WBVHZDCISA-N 1 0 275.436 3.625 10 0 CHAERO Cc1cnc([C@@H](C)NCc2ccc(C(F)(F)F)cc2)o1 ZINC000220898407 333170175 /nfs/dbraw/zinc/17/01/75/333170175.db2.gz IOIAFYDAXODRDF-SNVBAGLBSA-N 1 0 284.281 3.853 10 0 CHAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000222605662 333197859 /nfs/dbraw/zinc/19/78/59/333197859.db2.gz WWIULCFOIFVHKI-CKEIUWERSA-N 1 0 261.409 3.622 10 0 CHAERO CC/C=C/CC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189911918 333200245 /nfs/dbraw/zinc/20/02/45/333200245.db2.gz WPMSSLWFRVPAON-MBVDDHJVSA-N 1 0 269.392 3.879 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000223254787 333205983 /nfs/dbraw/zinc/20/59/83/333205983.db2.gz CNARVCNUNSVFNU-SJORKVTESA-N 1 0 275.436 3.873 10 0 CHAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000192581910 333236684 /nfs/dbraw/zinc/23/66/84/333236684.db2.gz NXMOBWVBWYGFSW-SOUVJXGZSA-N 1 0 298.430 3.794 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000226583841 333265441 /nfs/dbraw/zinc/26/54/41/333265441.db2.gz PAUXZBRORCMDJP-MISXGVKJSA-N 1 0 287.325 3.924 10 0 CHAERO CCCC1CCC([NH2+][C@H](C)c2ncc(C)o2)CC1 ZINC000227556582 333285857 /nfs/dbraw/zinc/28/58/57/333285857.db2.gz PBQMPUXMLBDWQX-IYXRBSQSSA-N 1 0 250.386 3.993 10 0 CHAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000230045687 333312542 /nfs/dbraw/zinc/31/25/42/333312542.db2.gz FNWJDQXTFDMRIB-ZIBATOQPSA-N 1 0 299.245 3.553 10 0 CHAERO Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000236000526 333372915 /nfs/dbraw/zinc/37/29/15/333372915.db2.gz KAHOWODVHWFFNT-WBVHZDCISA-N 1 0 293.838 3.775 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)C(C)C ZINC000037301671 333531560 /nfs/dbraw/zinc/53/15/60/333531560.db2.gz ISSMNNHIMZWRSX-IUODEOHRSA-N 1 0 265.397 3.789 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000130052141 333809769 /nfs/dbraw/zinc/80/97/69/333809769.db2.gz UZUXGSJJLBOPRY-DYEKYZERSA-N 1 0 279.449 3.845 10 0 CHAERO CCC(CC)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000130711179 333867784 /nfs/dbraw/zinc/86/77/84/333867784.db2.gz XVAOMJZSBKWPNK-NSHDSACASA-N 1 0 251.418 3.607 10 0 CHAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000134241796 334085211 /nfs/dbraw/zinc/08/52/11/334085211.db2.gz GRIXOTAWTXMDAZ-IAQYHMDHSA-N 1 0 291.391 3.821 10 0 CHAERO Cc1cc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(F)cc1F ZINC000135241050 334121403 /nfs/dbraw/zinc/12/14/03/334121403.db2.gz RCGQKEFOVNYJPT-SNVBAGLBSA-N 1 0 290.313 3.545 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cnc2ccsc2c1 ZINC000135662646 334135416 /nfs/dbraw/zinc/13/54/16/334135416.db2.gz ZSYUFJFQWAUZIQ-LNSITVRQSA-N 1 0 290.432 3.641 10 0 CHAERO CCOCc1ccccc1C[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000080457097 334171635 /nfs/dbraw/zinc/17/16/35/334171635.db2.gz NLDGPNMFPNRULM-PBHICJAKSA-N 1 0 261.409 3.891 10 0 CHAERO CCCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246597250 334265060 /nfs/dbraw/zinc/26/50/60/334265060.db2.gz GZIBBUCRSFOCII-KGLIPLIRSA-N 1 0 287.325 3.613 10 0 CHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000246866987 334270886 /nfs/dbraw/zinc/27/08/86/334270886.db2.gz DESFNHZHPOCXIO-OUCADQQQSA-N 1 0 299.361 3.815 10 0 CHAERO Cc1c([C@H](C)[NH2+][C@H]2C[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC000246892770 334271383 /nfs/dbraw/zinc/27/13/83/334271383.db2.gz DUUKSUPWKPTKJD-GDLVEWKHSA-N 1 0 289.810 3.893 10 0 CHAERO FC(F)c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000248390114 334299726 /nfs/dbraw/zinc/29/97/26/334299726.db2.gz HLOAKYILMJCMEG-HUUCEWRRSA-N 1 0 281.346 3.768 10 0 CHAERO CCC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccsc1 ZINC000248966123 334323124 /nfs/dbraw/zinc/32/31/24/334323124.db2.gz RVYTXEGYEWTKPA-KWCYVHTRSA-N 1 0 253.411 3.746 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccco2)CC(C)(C)C1 ZINC000249027665 334325114 /nfs/dbraw/zinc/32/51/14/334325114.db2.gz RYLQSWXBWPNYTE-MGPQQGTHSA-N 1 0 265.397 3.508 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](CC)C2)C12CCOCC2 ZINC000249043271 334325659 /nfs/dbraw/zinc/32/56/59/334325659.db2.gz VNFQMGCYXQFCOZ-WCXIOVBPSA-N 1 0 295.467 3.519 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC(C2CC2)C2CC2)c1C ZINC000088455565 334338848 /nfs/dbraw/zinc/33/88/48/334338848.db2.gz AHQRSCUSYHWJCD-NSHDSACASA-N 1 0 275.440 3.607 10 0 CHAERO CC(C)C[C@H](CO)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000251951537 334372435 /nfs/dbraw/zinc/37/24/35/334372435.db2.gz WWIULCFOIFVHKI-VBQJREDUSA-N 1 0 261.409 3.622 10 0 CHAERO CCC[C@@H]([NH2+]CC1CC(O)C1)c1ccc(Cl)cc1 ZINC000091415665 334377984 /nfs/dbraw/zinc/37/79/84/334377984.db2.gz JKJHOHREROKVCR-WDIPEOLASA-N 1 0 267.800 3.542 10 0 CHAERO CC[C@@H]([NH2+]CC1CC(O)C1)c1ccc(Cl)cc1Cl ZINC000091415821 334378112 /nfs/dbraw/zinc/37/81/12/334378112.db2.gz CZKXRCMKVUZHNY-PFMWSLTASA-N 1 0 288.218 3.805 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1C ZINC000252368295 334378615 /nfs/dbraw/zinc/37/86/15/334378615.db2.gz MXNAFQXYUBPLKA-ZMSDIMECSA-N 1 0 261.409 3.830 10 0 CHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000252389384 334378893 /nfs/dbraw/zinc/37/88/93/334378893.db2.gz INBQNFHAAWRPIF-WOSRLPQWSA-N 1 0 290.451 3.535 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(C)cc1 ZINC000252844898 334396317 /nfs/dbraw/zinc/39/63/17/334396317.db2.gz BZJJUFITNOHGBK-GVDBMIGSSA-N 1 0 261.409 3.729 10 0 CHAERO CC(C)[C@H](C)[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000154358319 334693232 /nfs/dbraw/zinc/69/32/32/334693232.db2.gz IYXVSKRKJCFTPP-WFASDCNBSA-N 1 0 259.397 3.894 10 0 CHAERO C[C@@H]([NH2+]C1(C)CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156965698 334755240 /nfs/dbraw/zinc/75/52/40/334755240.db2.gz RIFXITMZVKSFDU-ZIAGYGMSSA-N 1 0 296.455 3.554 10 0 CHAERO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000157694656 334781168 /nfs/dbraw/zinc/78/11/68/334781168.db2.gz COCFUQQEUJTAND-ZQDZILKHSA-N 1 0 255.446 3.588 10 0 CHAERO CC(C)CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000568853804 334843613 /nfs/dbraw/zinc/84/36/13/334843613.db2.gz UOFZRMGDXNYIDZ-IVSAIRAKSA-N 1 0 267.457 3.994 10 0 CHAERO CC(C)[NH2+]CC1(O[C@@H]2CCC[C@H](C)C2)CCCC1 ZINC000050497719 519720164 /nfs/dbraw/zinc/72/01/64/519720164.db2.gz UWHAARWINXDDGW-LSDHHAIUSA-N 1 0 253.430 3.893 10 0 CHAERO CC(C)C[NH2+]CCC[C@@H](C)Oc1ccccc1F ZINC000052663855 519743597 /nfs/dbraw/zinc/74/35/97/519743597.db2.gz LTRILEPZOWYEOH-CYBMUJFWSA-N 1 0 253.361 3.619 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@]1(C)c1ccccc1Br ZINC000054598111 519745127 /nfs/dbraw/zinc/74/51/27/519745127.db2.gz DNYIWEPISIBRIF-WFASDCNBSA-N 1 0 296.252 3.972 10 0 CHAERO CC[NH2+]CCCCn1cc(Cl)c2ccccc21 ZINC000055310881 519919111 /nfs/dbraw/zinc/91/91/11/519919111.db2.gz RNIZKIWWEPPSLL-UHFFFAOYSA-N 1 0 250.773 3.684 10 0 CHAERO CCC[NH2+]C[C@@](CC)(CCCOC)c1ccccc1 ZINC000054659334 519928587 /nfs/dbraw/zinc/92/85/87/519928587.db2.gz UDKZDSVJEXWYMD-QGZVFWFLSA-N 1 0 263.425 3.761 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cccc(C)c2)nc1C ZINC000052330472 519973290 /nfs/dbraw/zinc/97/32/90/519973290.db2.gz XXGZAHRSZINPCJ-UHFFFAOYSA-N 1 0 260.406 3.927 10 0 CHAERO CCC[NH2+]Cc1sc(N(C)C[C@@H](C)CC)nc1CC ZINC000054997098 519975763 /nfs/dbraw/zinc/97/57/63/519975763.db2.gz XNTPHVARSMNRJE-LBPRGKRZSA-N 1 0 283.485 3.687 10 0 CHAERO CCC[NH2+][C@@H](CCOCC)c1ccc(C)c(F)c1 ZINC000053827154 520001999 /nfs/dbraw/zinc/00/19/99/520001999.db2.gz RXPKWWXGYHIYSC-HNNXBMFYSA-N 1 0 253.361 3.601 10 0 CHAERO CCC[NH2+][C@@H]1CCCc2nc(N3CCCCC3)sc21 ZINC000054901080 520023582 /nfs/dbraw/zinc/02/35/82/520023582.db2.gz FJOGYIWCTVZBBZ-GFCCVEGCSA-N 1 0 279.453 3.510 10 0 CHAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OCC(C)C ZINC000062747423 520063928 /nfs/dbraw/zinc/06/39/28/520063928.db2.gz CCFHJKAUUPPLDP-GFCCVEGCSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@H](CCC)Cc1ccnc2ccccc12 ZINC000063029667 520069039 /nfs/dbraw/zinc/06/90/39/520069039.db2.gz JKDXFYQOLPBJKM-OAHLLOKOSA-N 1 0 256.393 3.946 10 0 CHAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[C@@H]1CCCO1 ZINC000054630981 520122440 /nfs/dbraw/zinc/12/24/40/520122440.db2.gz KEZAQMKYDUQWSW-XUWVNRHRSA-N 1 0 253.430 3.606 10 0 CHAERO CC[NH2+][C@H](Cc1csc(C)n1)c1ccc(F)cc1C ZINC000055295596 520203531 /nfs/dbraw/zinc/20/35/31/520203531.db2.gz ACMMJGKAQRWQOP-OAHLLOKOSA-N 1 0 278.396 3.792 10 0 CHAERO CCNc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2CC)n1 ZINC000061630520 520309163 /nfs/dbraw/zinc/30/91/63/520309163.db2.gz YYKCHCSMPKTNCU-NSHDSACASA-N 1 0 267.804 3.541 10 0 CHAERO CCC[C@H](C)N(C)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054904277 521038661 /nfs/dbraw/zinc/03/86/61/521038661.db2.gz SQTAYJDAHHTMQV-NSHDSACASA-N 1 0 269.458 3.656 10 0 CHAERO CCCc1nc(N2CCC[C@@H]2CC)sc1C[NH2+]CC ZINC000054968790 521532027 /nfs/dbraw/zinc/53/20/27/521532027.db2.gz FUYQXQKHXBOZCL-LBPRGKRZSA-N 1 0 281.469 3.584 10 0 CHAERO CC[C@H]([NH3+])[C@H](Sc1nccc(C)n1)c1ccc(C)s1 ZINC000051331300 522343976 /nfs/dbraw/zinc/34/39/76/522343976.db2.gz VWEHQVJNYAYWJR-AAEUAGOBSA-N 1 0 293.461 3.726 10 0 CHAERO CCc1nc(N2CCCCCC2)sc1C[NH2+]C(C)C ZINC000054995654 522384107 /nfs/dbraw/zinc/38/41/07/522384107.db2.gz RJLDBKJEUZKCGA-UHFFFAOYSA-N 1 0 281.469 3.584 10 0 CHAERO C[NH2+][C@H](c1ccc(C)c(F)c1)c1cc(F)ccc1C ZINC000055224183 522480237 /nfs/dbraw/zinc/48/02/37/522480237.db2.gz AUCBQNDZVODNST-MRXNPFEDSA-N 1 0 261.315 3.890 10 0 CHAERO COc1ccc([C@@H](CC[NH3+])C2CC2)cc1C(C)(C)C ZINC000041352350 518160034 /nfs/dbraw/zinc/16/00/34/518160034.db2.gz LTEBXNOLXRWAGG-AWEZNQCLSA-N 1 0 261.409 3.835 10 0 CHAERO CC(C)(C)[NH2+]CCCCOc1ccc(F)c(F)c1 ZINC000052700287 518756070 /nfs/dbraw/zinc/75/60/70/518756070.db2.gz MBZIEDQIUBXCSF-UHFFFAOYSA-N 1 0 257.324 3.512 10 0 CHAERO CC(C)C[C@H]1C[N@H+](CC(C)C)[C@H](Cc2ccccc2)CN1 ZINC000062705189 519415720 /nfs/dbraw/zinc/41/57/20/519415720.db2.gz YPEMHFDLDJVWRE-RBUKOAKNSA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000053010488 519725038 /nfs/dbraw/zinc/72/50/38/519725038.db2.gz HVIMOPBIKMLOAM-LLVKDONJSA-N 1 0 287.234 3.818 10 0 CHAERO CC(C)C[NH2+]CCn1ccc2ccc(Cl)cc21 ZINC000053529229 519744544 /nfs/dbraw/zinc/74/45/44/519744544.db2.gz CVFUTXMOBYYRAB-UHFFFAOYSA-N 1 0 250.773 3.540 10 0 CHAERO CC(C)COc1ccc([C@@H](C)[NH3+])cc1Br ZINC000061698801 519763625 /nfs/dbraw/zinc/76/36/25/519763625.db2.gz BEQHXWRWYSJQII-SECBINFHSA-N 1 0 272.186 3.504 10 0 CHAERO CC(C)C[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1N ZINC000050443174 519772596 /nfs/dbraw/zinc/77/25/96/519772596.db2.gz NCHSLKDJKXVVQK-LLVKDONJSA-N 1 0 254.805 3.789 10 0 CHAERO CC(C)[C@@H](NC1=[NH+]C(C)(C)CS1)c1cccs1 ZINC000049559186 519798778 /nfs/dbraw/zinc/79/87/78/519798778.db2.gz MQOUTVGZEIOKKX-LLVKDONJSA-N 1 0 268.451 3.916 10 0 CHAERO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H](C)c1ccccc1 ZINC000062668253 519804782 /nfs/dbraw/zinc/80/47/82/519804782.db2.gz VDQIOPDCNGLGQG-JQHSSLGASA-N 1 0 274.452 3.702 10 0 CHAERO CC(C)[C@H](C)[N@H+](C)CCNc1ccccc1Br ZINC000053384559 519811803 /nfs/dbraw/zinc/81/18/03/519811803.db2.gz CKJMEEMAAMGUQQ-LBPRGKRZSA-N 1 0 299.256 3.837 10 0 CHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000151673400 519813217 /nfs/dbraw/zinc/81/32/17/519813217.db2.gz HLBZYAONLODOGM-KBPBESRZSA-N 1 0 257.381 3.567 10 0 CHAERO CC(C)[C@H]([NH2+]CCc1ccncc1)c1cccs1 ZINC000050878110 519820717 /nfs/dbraw/zinc/82/07/17/519820717.db2.gz JNXZHHYNOFOERX-HNNXBMFYSA-N 1 0 260.406 3.673 10 0 CHAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1Cc1c(F)cccc1Cl ZINC000062712342 519827114 /nfs/dbraw/zinc/82/71/14/519827114.db2.gz OHFIVQNYSKTPLT-OAHLLOKOSA-N 1 0 298.833 3.688 10 0 CHAERO CC(C)c1ccc([C@H](C)[NH2+]CC2CCOCC2)cc1 ZINC000052177336 519840052 /nfs/dbraw/zinc/84/00/52/519840052.db2.gz FUKBHMTWMWGQQP-AWEZNQCLSA-N 1 0 261.409 3.887 10 0 CHAERO CCC1CCC(C[NH2+]C(C)C)(OCC(C)C)CC1 ZINC000050492413 519851650 /nfs/dbraw/zinc/85/16/50/519851650.db2.gz FVOYOWGNGXZDHJ-UHFFFAOYSA-N 1 0 255.446 3.996 10 0 CHAERO CCCC1CCC([NH2+]C[C@@H](O)c2cccs2)CC1 ZINC000049545248 519898818 /nfs/dbraw/zinc/89/88/18/519898818.db2.gz VIUOAPPYNCPJKC-JXQTWKCFSA-N 1 0 267.438 3.730 10 0 CHAERO CCCC1CCN([C@H](c2ccsc2)[C@H](C)[NH3+])CC1 ZINC000050893033 519903100 /nfs/dbraw/zinc/90/31/00/519903100.db2.gz JFVQVPDFYQRLSO-WFASDCNBSA-N 1 0 266.454 3.649 10 0 CHAERO CC[NH2+]CC1(OCC(F)(F)F)CCC(CC)CC1 ZINC000050502405 519914130 /nfs/dbraw/zinc/91/41/30/519914130.db2.gz IDQMLVAXUZFZFZ-UHFFFAOYSA-N 1 0 267.335 3.514 10 0 CHAERO CCC[NH2+]C[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000052699963 519932216 /nfs/dbraw/zinc/93/22/16/519932216.db2.gz GTTVLNPSVOMOLI-LBPRGKRZSA-N 1 0 255.789 3.724 10 0 CHAERO CCC[NH2+]Cc1cc(C)nc(C2CCC(C)CC2)n1 ZINC000054831524 519945086 /nfs/dbraw/zinc/94/50/86/519945086.db2.gz ALSVLCLVANEPIC-UHFFFAOYSA-N 1 0 261.413 3.578 10 0 CHAERO CCC[NH2+][C@@H](C)c1nc2c(cccc2F)n1C1CC1 ZINC000062366399 519991037 /nfs/dbraw/zinc/99/10/37/519991037.db2.gz SJPMJYCPBVIQEL-JTQLQIEISA-N 1 0 261.344 3.571 10 0 CHAERO CCC[NH2+][C@@H](CC)c1c(C)nn(CC(F)(F)F)c1C ZINC000054719006 519992455 /nfs/dbraw/zinc/99/24/55/519992455.db2.gz ZCQBDXNTRQFPRA-NSHDSACASA-N 1 0 277.334 3.513 10 0 CHAERO CC[NH2+]Cc1ccccc1COCC1CCCCC1 ZINC000052708208 520008820 /nfs/dbraw/zinc/00/88/20/520008820.db2.gz VXZDMSRRQIQJQS-UHFFFAOYSA-N 1 0 261.409 3.893 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccc(Cl)s1)Cc1ccccn1 ZINC000053825790 520012817 /nfs/dbraw/zinc/01/28/17/520012817.db2.gz OUTUVRJSPCPMJJ-CYBMUJFWSA-N 1 0 294.851 3.950 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccnc2ccccc12)C(C)C ZINC000063031736 520013385 /nfs/dbraw/zinc/01/33/85/520013385.db2.gz FPEKBSSDKQJXPT-KRWDZBQOSA-N 1 0 256.393 3.802 10 0 CHAERO CC[NH2+]Cc1cnc(N(C)c2cc(C)cc(C)c2)s1 ZINC000054908189 520015342 /nfs/dbraw/zinc/01/53/42/520015342.db2.gz WARDSMJUCXBCGZ-UHFFFAOYSA-N 1 0 275.421 3.637 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@H]1CCCCO1 ZINC000050962567 520015840 /nfs/dbraw/zinc/01/58/40/520015840.db2.gz VKGIUTWWMMMHHT-SJORKVTESA-N 1 0 261.409 3.859 10 0 CHAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H]1CCCCO1 ZINC000050962487 520016284 /nfs/dbraw/zinc/01/62/84/520016284.db2.gz LTRFYHUYCARXDZ-GJZGRUSLSA-N 1 0 269.335 3.575 10 0 CHAERO CC[NH2+]Cc1sc(N(C)c2ccccc2C)nc1C ZINC000055000218 520033375 /nfs/dbraw/zinc/03/33/75/520033375.db2.gz SBBVDWAEZLHFIO-UHFFFAOYSA-N 1 0 275.421 3.637 10 0 CHAERO CCOCC[C@H](C[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC000052977763 520066857 /nfs/dbraw/zinc/06/68/57/520066857.db2.gz LLIQDGTVEVPXDI-HNNXBMFYSA-N 1 0 283.843 3.923 10 0 CHAERO CC[NH2+][C@@H](C)[C@H](CCCOCC(F)(F)F)C(C)C ZINC000061687071 520074921 /nfs/dbraw/zinc/07/49/21/520074921.db2.gz DQCLZZCIMGOEHQ-NWDGAFQWSA-N 1 0 269.351 3.616 10 0 CHAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@H]1CCCCO1 ZINC000050962569 520088844 /nfs/dbraw/zinc/08/88/44/520088844.db2.gz VKGIUTWWMMMHHT-IAGOWNOFSA-N 1 0 261.409 3.859 10 0 CHAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@H]1CCCCO1 ZINC000050962176 520110441 /nfs/dbraw/zinc/11/04/41/520110441.db2.gz CGODTPNEVOSDBJ-BXKDBHETSA-N 1 0 259.802 3.621 10 0 CHAERO CC[NH2+][C@@H](c1cccc(Cl)c1)c1cncc(F)c1 ZINC000049576265 520111459 /nfs/dbraw/zinc/11/14/59/520111459.db2.gz NHYJIWDIMFOOMQ-AWEZNQCLSA-N 1 0 264.731 3.573 10 0 CHAERO CCCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062625635 520183027 /nfs/dbraw/zinc/18/30/27/520183027.db2.gz DCIVKHLNSDIHNK-HOTGVXAUSA-N 1 0 254.462 3.521 10 0 CHAERO CC[NH2+][C@H](Cc1ccccc1Br)c1ccco1 ZINC000054456152 520202709 /nfs/dbraw/zinc/20/27/09/520202709.db2.gz JHRKSHKDWUYCJJ-CYBMUJFWSA-N 1 0 294.192 3.935 10 0 CHAERO CC[NH2+][C@H](Cc1csc(C)n1)c1ccc(CC)cc1 ZINC000055295409 520203681 /nfs/dbraw/zinc/20/36/81/520203681.db2.gz IUAHMGLVLKSHBD-MRXNPFEDSA-N 1 0 274.433 3.907 10 0 CHAERO CCCO[C@@H](C[NH2+]C(C)(C)C)c1ccc(OC)cc1 ZINC000050482677 520262054 /nfs/dbraw/zinc/26/20/54/520262054.db2.gz AYRADZDJOGQKMI-HNNXBMFYSA-N 1 0 265.397 3.551 10 0 CHAERO CCCCC[C@@H](C)[NH2+]CCN(CC)C1CCCC1 ZINC000053382066 520286636 /nfs/dbraw/zinc/28/66/36/520286636.db2.gz ITJCOBYRVLXSBW-OAHLLOKOSA-N 1 0 254.462 3.809 10 0 CHAERO CCCCC[C@@H](Cc1csc(C)n1)[NH2+]CCC ZINC000055295996 520291710 /nfs/dbraw/zinc/29/17/10/520291710.db2.gz KBRYPBBPODTVLR-ZDUSSCGKSA-N 1 0 254.443 3.943 10 0 CHAERO CC1(C)CCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000102950576 520337154 /nfs/dbraw/zinc/33/71/54/520337154.db2.gz BFOXQZLZWFPYSM-UHFFFAOYSA-N 1 0 262.378 3.778 10 0 CHAERO CCNc1nc2ccccc2cc1C[N@H+](C)C(C)C ZINC000050792612 520359836 /nfs/dbraw/zinc/35/98/36/520359836.db2.gz PNDIAJJVDRMZFR-UHFFFAOYSA-N 1 0 257.381 3.507 10 0 CHAERO CCCOc1ccc([C@@]2(C)C[C@@H]2C[NH2+]C2CC2)cc1 ZINC000054596287 520424311 /nfs/dbraw/zinc/42/43/11/520424311.db2.gz PAHHHIWOWOXBMC-RHSMWYFYSA-N 1 0 259.393 3.505 10 0 CHAERO CCCOc1ccc([C@H]([NH2+]C)c2nc(C)cs2)cc1 ZINC000052920483 520430883 /nfs/dbraw/zinc/43/08/83/520430883.db2.gz UAGIZIILAUDOHQ-AWEZNQCLSA-N 1 0 276.405 3.549 10 0 CHAERO CCC[C@@H](C)[NH2+]C[C@H](C)N1CCCc2ccccc21 ZINC000053487461 520666981 /nfs/dbraw/zinc/66/69/81/520666981.db2.gz DULQSBUFRGEKGM-CABCVRRESA-N 1 0 260.425 3.606 10 0 CHAERO CCCC[NH2+]C[C@H](C)Sc1ncnc2ccccc21 ZINC000053623325 520691779 /nfs/dbraw/zinc/69/17/79/520691779.db2.gz AVOSGLKZVVBIJS-LBPRGKRZSA-N 1 0 275.421 3.500 10 0 CHAERO CCCCOCC[C@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000052947629 520795837 /nfs/dbraw/zinc/79/58/37/520795837.db2.gz SLIOQNTZIHWGFV-AWEZNQCLSA-N 1 0 269.816 3.664 10 0 CHAERO CCCCO[C@@H](C[NH2+]CC)c1ccc(Cl)cc1 ZINC000050483013 520823558 /nfs/dbraw/zinc/82/35/58/520823558.db2.gz XWCGWKSHRXITSG-AWEZNQCLSA-N 1 0 255.789 3.807 10 0 CHAERO CCCCO[C@H](C[NH2+]CC)c1ccc(Cl)cc1 ZINC000050483015 520843567 /nfs/dbraw/zinc/84/35/67/520843567.db2.gz XWCGWKSHRXITSG-CQSZACIVSA-N 1 0 255.789 3.807 10 0 CHAERO CCC[C@H](C)C[C@H](C[NH2+]C)Cc1ccccc1OC ZINC000052980170 521026139 /nfs/dbraw/zinc/02/61/39/521026139.db2.gz HVYQDLFNIUGFER-GJZGRUSLSA-N 1 0 263.425 3.900 10 0 CHAERO CCC[C@H](C)N(C)c1nc(C)c(C[NH2+]C(C)(C)C)s1 ZINC000054997717 521034959 /nfs/dbraw/zinc/03/49/59/521034959.db2.gz WRLVIDATBXDYJU-NSHDSACASA-N 1 0 283.485 3.964 10 0 CHAERO CCCc1ccc([C@H](C[C@H]2CCCO2)[NH2+]CC)cc1 ZINC000055242022 521419513 /nfs/dbraw/zinc/41/95/13/521419513.db2.gz MDCGNJDEEKPMHT-SJORKVTESA-N 1 0 261.409 3.859 10 0 CHAERO CC[N@H+](Cc1nc2sccc2c(Cl)n1)C(C)C ZINC000050839906 521457410 /nfs/dbraw/zinc/45/74/10/521457410.db2.gz KBHMUZLDFDJSAO-UHFFFAOYSA-N 1 0 269.801 3.575 10 0 CHAERO CCCc1nc(N2CCC(CCC)CC2)sc1C[NH3+] ZINC000054998235 521530463 /nfs/dbraw/zinc/53/04/63/521530463.db2.gz DAXNEKMBCUVZRW-UHFFFAOYSA-N 1 0 281.469 3.571 10 0 CHAERO CC[C@H](C)Oc1c(C[NH2+]C(C)(C)C)cccc1OC ZINC000062732206 521758459 /nfs/dbraw/zinc/75/84/59/521758459.db2.gz DWMOEGAKZIUOPW-LBPRGKRZSA-N 1 0 265.397 3.761 10 0 CHAERO C[NH2+]CC1(CCCOC)CCC(C(C)(C)C)CC1 ZINC000054657616 521967132 /nfs/dbraw/zinc/96/71/32/521967132.db2.gz CXXCMINRNYLRCL-UHFFFAOYSA-N 1 0 255.446 3.855 10 0 CHAERO C[NH2+]CC1(Cc2cccc(F)c2F)CCCCC1 ZINC000054654764 521971218 /nfs/dbraw/zinc/97/12/18/521971218.db2.gz NRIXPFOMAORXNB-UHFFFAOYSA-N 1 0 253.336 3.677 10 0 CHAERO C[NH2+]CC1(OCC(F)(F)F)CCC(C(C)(C)C)CC1 ZINC000050502429 521972481 /nfs/dbraw/zinc/97/24/81/521972481.db2.gz BVJDKCVBPGMZEA-UHFFFAOYSA-N 1 0 281.362 3.760 10 0 CHAERO C[NH2+]C[C@H](OC1CCCC1)c1ccccc1Cl ZINC000050487512 522075907 /nfs/dbraw/zinc/07/59/07/522075907.db2.gz RFGKNQJXVXRBFS-AWEZNQCLSA-N 1 0 253.773 3.560 10 0 CHAERO CC[C@H](C[NH2+]C(C)C)N(C)Cc1ccc(Cl)s1 ZINC000052508895 522188391 /nfs/dbraw/zinc/18/83/91/522188391.db2.gz GKVSBOLBJHPZGQ-LLVKDONJSA-N 1 0 274.861 3.610 10 0 CHAERO C[NH2+][C@@H](CC(C)(C)C)c1cc(OC)c(OC)cc1F ZINC000061561282 522344138 /nfs/dbraw/zinc/34/41/38/522344138.db2.gz ALTYUVDCIDFIDR-LBPRGKRZSA-N 1 0 269.360 3.540 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1C)c1ccc(F)cc1C ZINC000055226809 522361526 /nfs/dbraw/zinc/36/15/26/522361526.db2.gz QRXOFAVYULDYSP-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@@H](Cc1csc(CSC)n1)c1ccccc1 ZINC000054497000 522365172 /nfs/dbraw/zinc/36/51/72/522365172.db2.gz HMRSQGDURVCIBT-ZDUSSCGKSA-N 1 0 278.446 3.509 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(OC)c(F)c1 ZINC000061668898 522365248 /nfs/dbraw/zinc/36/52/48/522365248.db2.gz BTLMSXPJIDQMJM-OAHLLOKOSA-N 1 0 279.380 3.821 10 0 CHAERO C[NH2+][C@@H](c1ccncc1)c1cccc(Cl)c1Cl ZINC000055223123 522373134 /nfs/dbraw/zinc/37/31/34/522373134.db2.gz GIUYKYQOZVAAHA-ZDUSSCGKSA-N 1 0 267.159 3.697 10 0 CHAERO C[NH2+][C@@H]1CCCCc2c3ccccc3c(OC)cc21 ZINC000054742308 522379996 /nfs/dbraw/zinc/37/99/96/522379996.db2.gz YLIQDQOJDKKEEK-MRXNPFEDSA-N 1 0 255.361 3.835 10 0 CHAERO CCc1nc([C@@H]([NH2+]C)c2ccccc2CC)sc1C ZINC000052204723 522427083 /nfs/dbraw/zinc/42/70/83/522427083.db2.gz NBEXMQVYLMODKP-HNNXBMFYSA-N 1 0 274.433 3.885 10 0 CHAERO CC[C@@H](C)c1ccc([C@@H]([NH2+]C)[C@@H]2CCCOC2)cc1 ZINC000062231264 522431367 /nfs/dbraw/zinc/43/13/67/522431367.db2.gz ZYZKJMQFWBMPGV-KBRIMQKVSA-N 1 0 261.409 3.887 10 0 CHAERO C[NH2+][C@H](C)Cc1ccc(-c2cccc(Cl)c2F)o1 ZINC000062770728 522441876 /nfs/dbraw/zinc/44/18/76/522441876.db2.gz QWHCXTFLNSMEJJ-SECBINFHSA-N 1 0 267.731 3.890 10 0 CHAERO C[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(Cl)c1 ZINC000061698934 522449232 /nfs/dbraw/zinc/44/92/32/522449232.db2.gz KGXUZPSVXIHLTD-DGCLKSJQSA-N 1 0 283.799 3.568 10 0 CHAERO C[NH2+][C@H](CCc1ccccc1C)Cc1ccccc1 ZINC000051985693 522467029 /nfs/dbraw/zinc/46/70/29/522467029.db2.gz IEUBCIQLZTYVCF-GOSISDBHSA-N 1 0 253.389 3.758 10 0 CHAERO C[NH2+][C@H](Cc1cc(F)cc(F)c1)C1CCCCC1 ZINC000049349034 522473770 /nfs/dbraw/zinc/47/37/70/522473770.db2.gz RUCVVDPIGYDFLE-OAHLLOKOSA-N 1 0 253.336 3.676 10 0 CHAERO C[NH2+][C@H](c1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000055270535 522485971 /nfs/dbraw/zinc/48/59/71/522485971.db2.gz CPQVTXONOFGRCO-QUZGTJOHSA-N 1 0 256.393 3.559 10 0 CHAERO C[NH2+][C@H](c1csc2ccccc12)c1nccs1 ZINC000054465588 522487680 /nfs/dbraw/zinc/48/76/80/522487680.db2.gz OYKFSTZIBMOITP-GFCCVEGCSA-N 1 0 260.387 3.667 10 0 CHAERO C[NH2+][C@H]1CCC[C@@H]1CCOc1ccc(Br)cc1 ZINC000049597068 522498899 /nfs/dbraw/zinc/49/88/99/522498899.db2.gz KUYFKGIVRMSFKN-RISCZKNCSA-N 1 0 298.224 3.606 10 0 CHAERO CCc1ncc(C[NH2+][C@@H](C)Cc2ccc(F)cc2)s1 ZINC000062050483 522552433 /nfs/dbraw/zinc/55/24/33/522552433.db2.gz FDNBCKWQWDVMAZ-NSHDSACASA-N 1 0 278.396 3.565 10 0 CHAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OC)c1cccs1 ZINC000049529573 522925441 /nfs/dbraw/zinc/92/54/41/522925441.db2.gz BWRLUKFUFMIRBD-UPJWGTAASA-N 1 0 253.411 3.746 10 0 CHAERO CN(c1ccc(Cl)cc1C(N)=[NH2+])C1CCCCCC1 ZINC000052860070 523636750 /nfs/dbraw/zinc/63/67/50/523636750.db2.gz ABSLJWRUUHYTPE-UHFFFAOYSA-N 1 0 279.815 3.783 10 0 CHAERO CN(c1nc(C(C)(C)C)c(C[NH3+])s1)C1CCCCC1 ZINC000054994849 523660605 /nfs/dbraw/zinc/66/06/05/523660605.db2.gz RSKJNAZWBOOYCT-UHFFFAOYSA-N 1 0 281.469 3.668 10 0 CHAERO CC[C@@](C[NH2+]C)(Cc1ccsc1)c1ccccc1 ZINC000054659141 523683990 /nfs/dbraw/zinc/68/39/90/523683990.db2.gz DCMDEVBNFJVSQU-INIZCTEOSA-N 1 0 259.418 3.858 10 0 CHAERO CC[C@H](C)C[C@@](CC)(C[NH3+])N1Cc2ccccc2C1 ZINC000050910690 523899101 /nfs/dbraw/zinc/89/91/01/523899101.db2.gz SPTWBYOMVXNMBS-YOEHRIQHSA-N 1 0 260.425 3.546 10 0 CHAERO CCc1ccc(C[C@@H]([NH2+]C)c2cccc(OC)c2)s1 ZINC000053788690 523951924 /nfs/dbraw/zinc/95/19/24/523951924.db2.gz SYXHHBYCKFVIDY-MRXNPFEDSA-N 1 0 275.417 3.822 10 0 CHAERO CCc1ccc(N(C)c2nc(C)c([C@H](C)[NH3+])s2)cc1 ZINC000054897559 523959271 /nfs/dbraw/zinc/95/92/71/523959271.db2.gz MYJLIZKIICAJPB-JTQLQIEISA-N 1 0 275.421 3.802 10 0 CHAERO CCc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)s1 ZINC000049199604 524027262 /nfs/dbraw/zinc/02/72/62/524027262.db2.gz AEOASPYIJMFDFC-OCCSQVGLSA-N 1 0 268.470 3.547 10 0 CHAERO CCc1ccc([C@]2(C)C[C@@H]2C[NH2+]CC(C)C)s1 ZINC000054598209 524057499 /nfs/dbraw/zinc/05/74/99/524057499.db2.gz KXUOQQPGHFWOAD-IUODEOHRSA-N 1 0 251.439 3.834 10 0 CHAERO CCc1cccc(CC)c1N1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053011873 524067470 /nfs/dbraw/zinc/06/74/70/524067470.db2.gz JTJCWNWPSBDJAK-HNNXBMFYSA-N 1 0 274.452 3.636 10 0 CHAERO C[C@@H]1CCCC[C@@H]1N(C)c1ccc(Cl)cc1C[NH3+] ZINC000052857499 524131482 /nfs/dbraw/zinc/13/14/82/524131482.db2.gz PKVAGWVPKQPNHI-RISCZKNCSA-N 1 0 266.816 3.814 10 0 CHAERO COc1ccc(C[C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000049597129 524141336 /nfs/dbraw/zinc/14/13/36/524141336.db2.gz WMFOXBIGYWESTH-WCQYABFASA-N 1 0 298.224 3.518 10 0 CHAERO C[C@H]1CCC[C@@H]([N@@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000062673054 524145235 /nfs/dbraw/zinc/14/52/35/524145235.db2.gz SIXKTXZDCOUARB-CGTJXYLNSA-N 1 0 286.463 3.990 10 0 CHAERO COc1ccc(C[C@H](C[NH3+])Cc2ccc(Cl)s2)cc1 ZINC000052947723 524153825 /nfs/dbraw/zinc/15/38/25/524153825.db2.gz CFWYFSRWDXXQEP-LBPRGKRZSA-N 1 0 295.835 3.770 10 0 CHAERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577247 524349903 /nfs/dbraw/zinc/34/99/03/524349903.db2.gz OMYXQNWODDPGOS-YWXMQNBFSA-N 1 0 253.336 3.879 10 0 CHAERO Cc1ccc(CC[C@H]([NH3+])Cc2ccccc2C)cc1 ZINC000052945994 524350651 /nfs/dbraw/zinc/35/06/51/524350651.db2.gz BBWCSKOVXGRMGC-SFHVURJKSA-N 1 0 253.389 3.806 10 0 CHAERO Cc1cccc(CC[C@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000063099715 524365627 /nfs/dbraw/zinc/36/56/27/524365627.db2.gz DWDQJDZBDFYXOS-LBPRGKRZSA-N 1 0 259.315 3.858 10 0 CHAERO C[C@H]1CC[C@@H]([NH2+]CC2CCOCC2)c2ccccc21 ZINC000131238559 524371020 /nfs/dbraw/zinc/37/10/20/524371020.db2.gz KBBBJJPTXIWOSF-SUMWQHHRSA-N 1 0 259.393 3.641 10 0 CHAERO C[C@@H]1CCC[C@H]([N@@H+]2C[C@H](C)NC[C@@H]2c2ccccc2)C1 ZINC000062666526 524391217 /nfs/dbraw/zinc/39/12/17/524391217.db2.gz ZQIUMCIYQBIDEC-MXSMSXNCSA-N 1 0 272.436 3.600 10 0 CHAERO C[C@@H](CC1CC1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000164327047 524428556 /nfs/dbraw/zinc/42/85/56/524428556.db2.gz WVQQCINKQAFSKZ-XIWWETDGSA-N 1 0 298.430 3.597 10 0 CHAERO C[C@@H](CCC[NH3+])Oc1ccccc1-c1ccccc1 ZINC000052651164 524457911 /nfs/dbraw/zinc/45/79/11/524457911.db2.gz AXRRXLJMDBPKEX-AWEZNQCLSA-N 1 0 255.361 3.860 10 0 CHAERO C[C@H](C[NH2+]C(C)(C)C)Oc1ccc2ccccc2c1 ZINC000052677365 524478346 /nfs/dbraw/zinc/47/83/46/524478346.db2.gz YOPYSYMYJBJJJY-CYBMUJFWSA-N 1 0 257.377 3.995 10 0 CHAERO Cc1cccc(OCC[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000048437003 524748106 /nfs/dbraw/zinc/74/81/06/524748106.db2.gz CAQDBROCELKOGL-MRXNPFEDSA-N 1 0 269.388 3.767 10 0 CHAERO Cc1ccc(F)c([C@@H]([NH3+])c2ccc(Cl)cc2F)c1 ZINC000062785970 524835484 /nfs/dbraw/zinc/83/54/84/524835484.db2.gz WBULUYQXMMYORB-AWEZNQCLSA-N 1 0 267.706 3.975 10 0 CHAERO Cc1ccc(F)c([C@@]2([NH3+])CCCc3ccccc32)c1 ZINC000055194051 524836376 /nfs/dbraw/zinc/83/63/76/524836376.db2.gz XEYPYULBRSPDIY-QGZVFWFLSA-N 1 0 255.336 3.673 10 0 CHAERO Cc1cccc([C@@H](C[NH3+])Nc2cccc(Cl)c2)c1 ZINC000057547727 524837137 /nfs/dbraw/zinc/83/71/37/524837137.db2.gz GCVUHRSUIHZLJL-OAHLLOKOSA-N 1 0 260.768 3.760 10 0 CHAERO Cc1cc(Cl)cc(C)c1OCC[NH2+][C@H](C)C1CC1 ZINC000053563960 524860138 /nfs/dbraw/zinc/86/01/38/524860138.db2.gz HAEYXEYIGUKDJO-GFCCVEGCSA-N 1 0 267.800 3.724 10 0 CHAERO C[C@H](NC(=[NH2+])NC1CCCC1)c1ccc(Cl)s1 ZINC000052048106 524874399 /nfs/dbraw/zinc/87/43/99/524874399.db2.gz OQALPEAOGBGVNG-QMMMGPOBSA-N 1 0 271.817 3.519 10 0 CHAERO C[C@@H](Cc1ccsc1)N1Cc2ccccc2C1=[NH2+] ZINC000049184045 524938059 /nfs/dbraw/zinc/93/80/59/524938059.db2.gz AOULOHJPWVMUKF-NSHDSACASA-N 1 0 256.374 3.520 10 0 CHAERO Cc1cc(N)c[nH+]c1N[C@H]1CCCc2sccc21 ZINC000061361046 525040559 /nfs/dbraw/zinc/04/05/59/525040559.db2.gz XSOQNFLVHHKQTC-LBPRGKRZSA-N 1 0 259.378 3.523 10 0 CHAERO Cc1cc(N)c[nH+]c1N[C@@H]1CCCc2sccc21 ZINC000061361045 525041715 /nfs/dbraw/zinc/04/17/15/525041715.db2.gz XSOQNFLVHHKQTC-GFCCVEGCSA-N 1 0 259.378 3.523 10 0 CHAERO COc1ccc(S[C@H](CC[NH3+])c2ccccc2)cc1 ZINC000055019486 525113480 /nfs/dbraw/zinc/11/34/80/525113480.db2.gz PTDWQLJIMAOGKX-MRXNPFEDSA-N 1 0 273.401 3.877 10 0 CHAERO C[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000055237018 525150654 /nfs/dbraw/zinc/15/06/54/525150654.db2.gz NGTNWMNFWHUTJL-AWEZNQCLSA-N 1 0 267.706 3.840 10 0 CHAERO Cc1ccccc1CSCc1cccc(C[NH3+])c1 ZINC000054964286 525183568 /nfs/dbraw/zinc/18/35/68/525183568.db2.gz HLERVCRFZXMRKB-UHFFFAOYSA-N 1 0 257.402 3.887 10 0 CHAERO Cc1ccccc1NCC[N@@H+](C)C1CCC(C)CC1 ZINC000053443303 525269395 /nfs/dbraw/zinc/26/93/95/525269395.db2.gz XITNSWWXMFRZGD-UHFFFAOYSA-N 1 0 260.425 3.917 10 0 CHAERO C[C@H]([NH2+]CC[C@@H](O)c1cccs1)c1ccccc1 ZINC000049849523 525364394 /nfs/dbraw/zinc/36/43/94/525364394.db2.gz VLQDDQIAFNGVMT-GXTWGEPZSA-N 1 0 261.390 3.522 10 0 CHAERO Cc1ccccc1[C@@H](C[NH3+])Nc1cccc(Cl)c1 ZINC000057547712 525365840 /nfs/dbraw/zinc/36/58/40/525365840.db2.gz XFAGABHZBLSFLI-OAHLLOKOSA-N 1 0 260.768 3.760 10 0 CHAERO Cc1ccccc1[C@@H](C[NH2+]C(C)C)OC1CCCC1 ZINC000050487665 525366286 /nfs/dbraw/zinc/36/62/86/525366286.db2.gz WONOVENGGAKZRX-QGZVFWFLSA-N 1 0 261.409 3.993 10 0 CHAERO Cc1cc([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)c(C)s1 ZINC000049197288 525472203 /nfs/dbraw/zinc/47/22/03/525472203.db2.gz PYRVHEOIWOMMNP-DOMZBBRYSA-N 1 0 268.470 3.602 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@@H](CN(C)C)C(C)C)c(C)s1 ZINC000049197291 525525042 /nfs/dbraw/zinc/52/50/42/525525042.db2.gz PYRVHEOIWOMMNP-WFASDCNBSA-N 1 0 268.470 3.602 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1N(C)C ZINC000093941406 525577197 /nfs/dbraw/zinc/57/71/97/525577197.db2.gz UZSMGJKWZSZAAD-WMLDXEAASA-N 1 0 296.414 3.927 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Br)s1 ZINC000052275051 525589303 /nfs/dbraw/zinc/58/93/03/525589303.db2.gz SFAIBOSCCGIIEC-BIIVOSGPSA-N 1 0 260.200 3.570 10 0 CHAERO Cc1ccsc1[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000052944580 525872361 /nfs/dbraw/zinc/87/23/61/525872361.db2.gz LECDSWXOQJGZMS-LBPRGKRZSA-N 1 0 251.782 3.952 10 0 CHAERO C[C@@H](Oc1ccc(C(N)=[NH2+])c(Cl)c1)c1ccccc1 ZINC000061856866 525920498 /nfs/dbraw/zinc/92/04/98/525920498.db2.gz DQVXQJYQMPAJCH-SNVBAGLBSA-N 1 0 274.751 3.764 10 0 CHAERO Cc1cn[nH]c1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000289602497 526035945 /nfs/dbraw/zinc/03/59/45/526035945.db2.gz VCAHODKWSMYQOW-MRXNPFEDSA-N 1 0 269.392 3.521 10 0 CHAERO C[C@H](c1ccc(Cl)cc1)N(C)c1cc(N)cc[nH+]1 ZINC000062013882 526050803 /nfs/dbraw/zinc/05/08/03/526050803.db2.gz OTXAHVYRFWIUQJ-SNVBAGLBSA-N 1 0 261.756 3.515 10 0 CHAERO C[C@@H](c1ccccc1)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062671253 526092542 /nfs/dbraw/zinc/09/25/42/526092542.db2.gz YQDOJERAAFEZFD-LPHOPBHVSA-N 1 0 280.415 3.784 10 0 CHAERO C[C@@H](c1nc(-c2ccccc2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000157947430 526163461 /nfs/dbraw/zinc/16/34/61/526163461.db2.gz HUHHYQLXKLBWNN-IUODEOHRSA-N 1 0 279.343 3.540 10 0 CHAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000120480990 526178554 /nfs/dbraw/zinc/17/85/54/526178554.db2.gz XIHMGVFSPATURN-DCQANWLSSA-N 1 0 260.406 3.786 10 0 CHAERO Cc1ccc(C(C)C)c(OCc2ccc(C[NH3+])o2)c1 ZINC000052663098 526248356 /nfs/dbraw/zinc/24/83/56/526248356.db2.gz URWGZZBIVYNCGV-UHFFFAOYSA-N 1 0 259.349 3.749 10 0 CHAERO Cc1csc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000156975107 526421662 /nfs/dbraw/zinc/42/16/62/526421662.db2.gz JKTCMMDDQBFUBI-CQSZACIVSA-N 1 0 290.407 3.970 10 0 CHAERO Cc1csc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000156975260 526441969 /nfs/dbraw/zinc/44/19/69/526441969.db2.gz JKTCMMDDQBFUBI-AWEZNQCLSA-N 1 0 290.407 3.970 10 0 CHAERO c1ccc2c(c1)CCC[C@@H]2OCCC[C@H]1CCC[NH2+]1 ZINC000052764992 526503070 /nfs/dbraw/zinc/50/30/70/526503070.db2.gz PTGPUMJSZFUGLT-WBVHZDCISA-N 1 0 259.393 3.613 10 0 CHAERO Cc1nc(-c2ccccc2)sc1C[NH2+]CC(C)C ZINC000052331185 526604754 /nfs/dbraw/zinc/60/47/54/526604754.db2.gz TXYTWZFSBUYSHE-UHFFFAOYSA-N 1 0 260.406 3.864 10 0 CHAERO Cc1nocc1C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000293224289 526696169 /nfs/dbraw/zinc/69/61/69/526696169.db2.gz KFYXQIYOOYQBJD-MEDUHNTESA-N 1 0 256.349 3.711 10 0 CHAERO Clc1cc(Cl)cc(OCCCC[NH2+]C2CC2)c1 ZINC000052700917 526927642 /nfs/dbraw/zinc/92/76/42/526927642.db2.gz HZTZZEZRAFXZRE-UHFFFAOYSA-N 1 0 274.191 3.904 10 0 CHAERO Clc1cn(CC[NH2+]Cc2ccoc2)c2ccccc12 ZINC000055310955 526996276 /nfs/dbraw/zinc/99/62/76/526996276.db2.gz PTNNSZGRHMVIGP-UHFFFAOYSA-N 1 0 274.751 3.678 10 0 CHAERO [NH3+]C[C@@H](Nc1ccccc1)c1ccc(Br)cc1 ZINC000057603998 527206266 /nfs/dbraw/zinc/20/62/66/527206266.db2.gz YVIORCUNAHJJGG-CQSZACIVSA-N 1 0 291.192 3.561 10 0 CHAERO [NH3+]C[C@@H](Nc1ccccc1)c1cccc(Br)c1 ZINC000057603993 527206376 /nfs/dbraw/zinc/20/63/76/527206376.db2.gz RHRIKHZBJFEYRS-CQSZACIVSA-N 1 0 291.192 3.561 10 0 CHAERO [NH3+]Cc1cc(Cl)ccc1N(Cc1ccco1)C1CC1 ZINC000052857548 527248641 /nfs/dbraw/zinc/24/86/41/527248641.db2.gz FQFSWLIUAQCQNM-UHFFFAOYSA-N 1 0 276.767 3.561 10 0 CHAERO [NH3+][C@@H](c1cccs1)c1cccc(OC(F)(F)F)c1 ZINC000061703482 527338516 /nfs/dbraw/zinc/33/85/16/527338516.db2.gz HEZAOTGKIZQERB-LLVKDONJSA-N 1 0 273.279 3.695 10 0 CHAERO Nc1[nH+]c2ccc(F)c(F)c2n1-c1ccc(Cl)cc1 ZINC000053169722 527561254 /nfs/dbraw/zinc/56/12/54/527561254.db2.gz JHBDUQDQNAWZGV-UHFFFAOYSA-N 1 0 279.677 3.539 10 0 CHAERO FC(F)(F)CO[C@H](C[NH2+]C1CC1)c1ccccc1Cl ZINC000050502184 527671981 /nfs/dbraw/zinc/67/19/81/527671981.db2.gz RUBQIUGQJRHKET-GFCCVEGCSA-N 1 0 293.716 3.712 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1cc(Cl)ccc1Cl ZINC000083536517 535825278 /nfs/dbraw/zinc/82/52/78/535825278.db2.gz RNUCMGNTJHEGEJ-GXSJLCMTSA-N 1 0 273.207 3.570 10 0 CHAERO CCc1cccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083542125 535892354 /nfs/dbraw/zinc/89/23/54/535892354.db2.gz LCQMYBDDJXFZDK-QZTJIDSGSA-N 1 0 274.452 3.708 10 0 CHAERO CCOc1ccc(Cl)cc1C[NH2+]CCC(C)C ZINC000013718015 567867433 /nfs/dbraw/zinc/86/74/33/567867433.db2.gz AJSZDIMXZZEARR-UHFFFAOYSA-N 1 0 255.789 3.874 10 0 CHAERO CC[NH+](CC)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952514 567209168 /nfs/dbraw/zinc/20/91/68/567209168.db2.gz NHPZPDPUHZPSED-INIZCTEOSA-N 1 0 284.444 3.508 10 0 CHAERO C[C@H]1CCC[N@@H+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952312 567209213 /nfs/dbraw/zinc/20/92/13/567209213.db2.gz FJDBTJOYDJZVCO-LSDHHAIUSA-N 1 0 296.455 3.508 10 0 CHAERO CC(C)C1([NH+]2CCCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000685961704 567210570 /nfs/dbraw/zinc/21/05/70/567210570.db2.gz VFYLONFQMCEVDL-UHFFFAOYSA-N 1 0 296.455 3.508 10 0 CHAERO CC[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000033435581 567861032 /nfs/dbraw/zinc/86/10/32/567861032.db2.gz POVUMZXAWDHGSQ-UHFFFAOYSA-N 1 0 255.361 3.684 10 0 CHAERO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCOC ZINC000013722503 567867536 /nfs/dbraw/zinc/86/75/36/567867536.db2.gz YWVFQBZEATYSDY-UHFFFAOYSA-N 1 0 292.206 3.518 10 0 CHAERO CCC[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000040730884 567890655 /nfs/dbraw/zinc/89/06/55/567890655.db2.gz ZTEKFEJCWXTRQF-UHFFFAOYSA-N 1 0 286.213 3.736 10 0 CHAERO CC(C)n1cc(C[NH2+]CCCn2ccnc2)c2ccccc21 ZINC000057353258 567895050 /nfs/dbraw/zinc/89/50/50/567895050.db2.gz TXCCXHSOGUGDAT-UHFFFAOYSA-N 1 0 296.418 3.599 10 0 CHAERO C=C(OCC)c1ccc(C[NH2+]C2CC2)cc1Cl ZINC000725267716 567924037 /nfs/dbraw/zinc/92/40/37/567924037.db2.gz ZQXQAUJTNIRHMD-UHFFFAOYSA-N 1 0 251.757 3.599 10 0 CHAERO Nc1c[nH+]c2ccc(Oc3ccccc3Cl)cc2c1N ZINC000584882290 570229412 /nfs/dbraw/zinc/22/94/12/570229412.db2.gz ZOZKRNJPKWJRGT-UHFFFAOYSA-N 1 0 285.734 3.675 10 0 CHAERO CCC[NH2+][C@@H](C)c1c(Br)ccc(F)c1F ZINC000725261988 570262304 /nfs/dbraw/zinc/26/23/04/570262304.db2.gz PWLLTEOGKMFIKS-ZETCQYMHSA-N 1 0 278.140 3.788 10 0 CHAERO c1ccc(-c2cccc(OCC[NH+]3CCCC3)c2)cc1 ZINC000013805459 581091954 /nfs/dbraw/zinc/09/19/54/581091954.db2.gz KZLGZZMQKAOWEY-UHFFFAOYSA-N 1 0 267.372 3.828 10 0 CHAERO c1csc(C2=CC[N@H+](C[C@@H]3CCC=CO3)CC2)c1 ZINC000193983696 1125550792 /nfs/dbraw/zinc/55/07/92/1125550792.db2.gz TYWMYTNPWFWSGH-AWEZNQCLSA-N 1 0 261.390 3.530 10 0 CHAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC000193987141 1125551217 /nfs/dbraw/zinc/55/12/17/1125551217.db2.gz ZUOLUSRNLAYESK-LESCRADOSA-N 1 0 287.403 3.566 10 0 CHAERO CC1(C)C[N@H+](C/C=C\Cl)CC[C@@H]1C(F)(F)F ZINC000588588046 1119480254 /nfs/dbraw/zinc/48/02/54/1119480254.db2.gz PQKHRLSIRGGILF-LVCFMKKZSA-N 1 0 255.711 3.649 10 0 CHAERO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3C3CCC3)n2)c1 ZINC000102927658 1123595869 /nfs/dbraw/zinc/59/58/69/1123595869.db2.gz JFRRMDDMHROADO-MRXNPFEDSA-N 1 0 297.402 3.810 10 0 CHAERO Cc1cc(C)c(C[NH2+]C[C@H]2COc3ccccc3O2)cc1C ZINC000104864170 1123831466 /nfs/dbraw/zinc/83/14/66/1123831466.db2.gz CRVLCOZGUHICGJ-KRWDZBQOSA-N 1 0 297.398 3.541 10 0 CHAERO COCc1nc(-c2cccc(C)c2)sc1C[NH2+]C1CC1 ZINC000082445359 178021687 /nfs/dbraw/zinc/02/16/87/178021687.db2.gz OPBZRGZQGAZAMB-UHFFFAOYSA-N 1 0 288.416 3.517 10 0 CHAERO CCCc1nc(-c2ccc(Cl)cc2)sc1C[NH3+] ZINC000082427092 178002649 /nfs/dbraw/zinc/00/26/49/178002649.db2.gz XIUDDMLTTAVXFG-UHFFFAOYSA-N 1 0 266.797 3.875 10 0 CHAERO [NH3+]Cc1sc(Cc2ccc(Cl)cc2)nc1C1CC1 ZINC000082441438 178021222 /nfs/dbraw/zinc/02/12/22/178021222.db2.gz NUXYKMRGAVEZIO-UHFFFAOYSA-N 1 0 278.808 3.723 10 0 CHAERO [NH3+]C[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000095751198 185025214 /nfs/dbraw/zinc/02/52/14/185025214.db2.gz FTFDPQKZUIOXLS-CQSZACIVSA-N 1 0 297.276 3.664 10 0 CHAERO [NH3+]C[C@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000095751200 185025850 /nfs/dbraw/zinc/02/58/50/185025850.db2.gz FTFDPQKZUIOXLS-AWEZNQCLSA-N 1 0 297.276 3.664 10 0 CHAERO C[NH2+][C@H]1CC(C)(C)Oc2cc(C)c(Cl)c(C)c21 ZINC000082505636 178070078 /nfs/dbraw/zinc/07/00/78/178070078.db2.gz FKMHLQVKEBZEHR-JTQLQIEISA-N 1 0 253.773 3.778 10 0 CHAERO C[C@@H](CSC(F)(F)F)[NH2+]Cc1ccc(F)cc1 ZINC000095918327 185030421 /nfs/dbraw/zinc/03/04/21/185030421.db2.gz GVUDVYWFHBBPNX-QMMMGPOBSA-N 1 0 267.291 3.557 10 0 CHAERO Fc1cccc(C[NH2+]CCCSC(F)(F)F)c1 ZINC000095918312 185031112 /nfs/dbraw/zinc/03/11/12/185031112.db2.gz UBJCPKCDXARIJS-UHFFFAOYSA-N 1 0 267.291 3.558 10 0 CHAERO Cc1scc(C[NH3+])c1-c1ccc(Br)cc1 ZINC000082586425 178122900 /nfs/dbraw/zinc/12/29/00/178122900.db2.gz WPXDJTLZIDDQOJ-UHFFFAOYSA-N 1 0 282.206 3.945 10 0 CHAERO Cc1cc2c(N)cccc2c(NCc2ccccc2)[nH+]1 ZINC000082765748 178279874 /nfs/dbraw/zinc/27/98/74/178279874.db2.gz CCIICEUCBZSOMF-UHFFFAOYSA-N 1 0 263.344 3.738 10 0 CHAERO CCSc1cc(OC)c2c(c1OC)[C@@H](C)[NH2+]CC2(C)C ZINC000096889024 185123574 /nfs/dbraw/zinc/12/35/74/185123574.db2.gz UUYPFEOKTXCRLV-SNVBAGLBSA-N 1 0 295.448 3.758 10 0 CHAERO COc1cc(CC(C)C)c(OC)c2c1CC[NH2+][C@H]2C(C)C ZINC000096889063 185123683 /nfs/dbraw/zinc/12/36/83/185123683.db2.gz MDUIRILXRLCZRX-KRWDZBQOSA-N 1 0 291.435 3.745 10 0 CHAERO [NH3+]CCc1csc(-c2csc3ccccc23)n1 ZINC000083441017 178453581 /nfs/dbraw/zinc/45/35/81/178453581.db2.gz HUGHFEBOTVSGAB-UHFFFAOYSA-N 1 0 260.387 3.526 10 0 CHAERO CCc1c(C)[nH+]c2ccccc2c1N1CCC([C@H](C)O)CC1 ZINC000302034545 529491509 /nfs/dbraw/zinc/49/15/09/529491509.db2.gz LIONMRVDCGKYBV-AWEZNQCLSA-N 1 0 298.430 3.703 10 0 CHAERO Cc1ccc(C(C)(C)C)c(OCC[NH2+]CC(C)C)c1 ZINC000083461128 178484900 /nfs/dbraw/zinc/48/49/00/178484900.db2.gz XDPPVBSXFXPYAR-UHFFFAOYSA-N 1 0 263.425 3.917 10 0 CHAERO CCCOc1ccccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000083618897 178616187 /nfs/dbraw/zinc/61/61/87/178616187.db2.gz SECMRXWWDSTLQJ-SFHVURJKSA-N 1 0 267.372 3.711 10 0 CHAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1ccc2c(c1)CCCC2 ZINC000103976090 185873023 /nfs/dbraw/zinc/87/30/23/185873023.db2.gz NNLFDTURTNZKSF-DLBZAZTESA-N 1 0 261.409 3.850 10 0 CHAERO CCC1(CC)CC[NH+]([C@H]2CCCCCC[C@@H]2O)CC1 ZINC000103977691 185873468 /nfs/dbraw/zinc/87/34/68/185873468.db2.gz PZUMUVLGWSDBET-HOTGVXAUSA-N 1 0 267.457 3.972 10 0 CHAERO C[NH2+]CC1(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CCCC1 ZINC000103979869 185874515 /nfs/dbraw/zinc/87/45/15/185874515.db2.gz UCUGYJGHQDHIRK-ARFHVFGLSA-N 1 0 267.457 3.996 10 0 CHAERO CCCCN(c1ccc(F)cc1C(N)=[NH2+])[C@@H](C)CC ZINC000104248999 185942921 /nfs/dbraw/zinc/94/29/21/185942921.db2.gz YAKXAIDETNVFAK-NSHDSACASA-N 1 0 265.376 3.515 10 0 CHAERO NC(=[NH2+])c1cc(F)ccc1Sc1ccc(F)cc1F ZINC000104252003 185944148 /nfs/dbraw/zinc/94/41/48/185944148.db2.gz CXQYPOBVVFISCI-UHFFFAOYSA-N 1 0 282.290 3.539 10 0 CHAERO CCN(CC(F)(F)F)c1cccc(Cl)c1C[C@@H](C)[NH3+] ZINC000104267404 185949006 /nfs/dbraw/zinc/94/90/06/185949006.db2.gz OMGMMPIIGJKMFB-SECBINFHSA-N 1 0 294.748 3.618 10 0 CHAERO C[NH2+][C@H](CCc1cccs1)Cc1cccc(F)c1 ZINC000104268330 185949806 /nfs/dbraw/zinc/94/98/06/185949806.db2.gz UZISDIHBBFJTGU-CQSZACIVSA-N 1 0 263.381 3.651 10 0 CHAERO CCC[NH2+]Cc1c(Cl)cccc1Sc1nnc(C)o1 ZINC000104294650 185957831 /nfs/dbraw/zinc/95/78/31/185957831.db2.gz KLUGFLGXIXBFOE-UHFFFAOYSA-N 1 0 297.811 3.682 10 0 CHAERO Cc1cc(C)cc(Oc2ccc(CC[NH3+])cc2F)c1 ZINC000104291315 185956995 /nfs/dbraw/zinc/95/69/95/185956995.db2.gz SLCXDFWBMUSFMH-UHFFFAOYSA-N 1 0 259.324 3.736 10 0 CHAERO CCC(CC)[C@@H](C)[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000104440862 186003238 /nfs/dbraw/zinc/00/32/38/186003238.db2.gz ZAAUIDZXHWNDPH-LLVKDONJSA-N 1 0 258.365 3.765 10 0 CHAERO CC1(C[NH2+]Cc2cccc3cnccc32)CCCC1 ZINC000104434989 186001372 /nfs/dbraw/zinc/00/13/72/186001372.db2.gz CDKXBPNQTHKQRX-UHFFFAOYSA-N 1 0 254.377 3.905 10 0 CHAERO CCC(CC)[C@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000104435993 186001563 /nfs/dbraw/zinc/00/15/63/186001563.db2.gz ICCIGQIWJMFZAF-NSHDSACASA-N 1 0 282.815 3.693 10 0 CHAERO C[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000104442843 186004048 /nfs/dbraw/zinc/00/40/48/186004048.db2.gz QYTMXRZCUIRUET-IUODEOHRSA-N 1 0 261.409 3.954 10 0 CHAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000090770512 180038146 /nfs/dbraw/zinc/03/81/46/180038146.db2.gz IIEXZPDGBVEEDO-CYBMUJFWSA-N 1 0 298.224 3.621 10 0 CHAERO CCC(CC)[C@H](C)[NH2+]Cc1cc(OC)ccc1OC ZINC000104444446 186003742 /nfs/dbraw/zinc/00/37/42/186003742.db2.gz UOBJXMZGODBPAI-LBPRGKRZSA-N 1 0 265.397 3.618 10 0 CHAERO FC(F)(F)c1ccc(C(F)(F)F)c(C[NH2+]C2CC2)c1 ZINC000091252188 180113987 /nfs/dbraw/zinc/11/39/87/180113987.db2.gz HKYORPIUYJTOFG-UHFFFAOYSA-N 1 0 283.215 3.976 10 0 CHAERO CC(C)(C)OC(=O)NCCC[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000091692270 180228135 /nfs/dbraw/zinc/22/81/35/180228135.db2.gz CWABKZVBLWEFDJ-CYBMUJFWSA-N 1 0 298.814 3.645 10 0 CHAERO COc1ccc2c(c1)[C@@H](Cc1ccccc1)[NH2+]CCC2 ZINC000091692815 180228885 /nfs/dbraw/zinc/22/88/85/180228885.db2.gz ORQIKUGAUWLXJI-GOSISDBHSA-N 1 0 267.372 3.515 10 0 CHAERO Cc1cc(Br)c2c(c1)[C@@H](CC(C)C)[NH2+]CC2 ZINC000106238837 186104586 /nfs/dbraw/zinc/10/45/86/186104586.db2.gz RGWDJFFICOYXEM-CQSZACIVSA-N 1 0 282.225 3.990 10 0 CHAERO Cc1ccc(C(=O)C[N@H+]2CCC[C@@H](C)CC2)cc1C ZINC000111237605 186373479 /nfs/dbraw/zinc/37/34/79/186373479.db2.gz VOHRUAWRYIDXCA-CYBMUJFWSA-N 1 0 259.393 3.608 10 0 CHAERO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171413131 335065335 /nfs/dbraw/zinc/06/53/35/335065335.db2.gz BBEVUOIMBTWAFC-GOSISDBHSA-N 1 0 283.419 3.881 10 0 CHAERO CC[NH2+][C@@H](C)c1ccccc1N1C[C@H](C)C[C@H](C)C1 ZINC000034839656 134784715 /nfs/dbraw/zinc/78/47/15/134784715.db2.gz NBBBUMXCSVAMMJ-ZNMIVQPWSA-N 1 0 260.425 3.839 10 0 CHAERO CC[C@@H]1CN(c2ccc(C)cc2C)[C@H](C(C)C)C[NH2+]1 ZINC000083441831 135022043 /nfs/dbraw/zinc/02/20/43/135022043.db2.gz QZWWAMDDIDCGQA-WBVHZDCISA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@@H]1CN(c2cc(C)ccc2Cl)[C@@H](CC)C[NH2+]1 ZINC000083493764 135024623 /nfs/dbraw/zinc/02/46/23/135024623.db2.gz ROVPUCGVPUBEGA-OLZOCXBDSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@@H]1CN(c2ccc(C)c(Cl)c2)[C@@H](CC)C[NH2+]1 ZINC000083493748 135024647 /nfs/dbraw/zinc/02/46/47/135024647.db2.gz SXVNMPBGAJIFLW-OLZOCXBDSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(Cl)c1 ZINC000083493786 135024778 /nfs/dbraw/zinc/02/47/78/135024778.db2.gz QSFWZRRFJWXVPN-DZGCQCFKSA-N 1 0 266.816 3.553 10 0 CHAERO CCc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083542106 135028750 /nfs/dbraw/zinc/02/87/50/135028750.db2.gz QJZIOQSEQXSRGW-ZWKOTPCHSA-N 1 0 274.452 3.708 10 0 CHAERO CC[C@H]1CN(c2cccc(SC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083587513 135030847 /nfs/dbraw/zinc/03/08/47/135030847.db2.gz YEGOJGQFNNLXLU-BBRMVZONSA-N 1 0 278.465 3.621 10 0 CHAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)CCc3ccccc3)C2)c1 ZINC000171529392 335069004 /nfs/dbraw/zinc/06/90/04/335069004.db2.gz AOJGTKKHWJOZMR-HKUYNNGSSA-N 1 0 297.446 3.850 10 0 CHAERO COc1ccccc1C[C@H](C)[NH2+][C@H](C)Cc1ccccc1 ZINC000001852587 169759817 /nfs/dbraw/zinc/75/98/17/169759817.db2.gz JTFWUHOPVMPVPD-CVEARBPZSA-N 1 0 283.415 3.847 10 0 CHAERO CCCC[NH2+]CCC1=NCC[C@@](C)(CC(C)(C)C)O1 ZINC000005309250 170084829 /nfs/dbraw/zinc/08/48/29/170084829.db2.gz BQQSLIZKRFRWQR-INIZCTEOSA-N 1 0 268.445 3.780 10 0 CHAERO CCOC(=O)C(C)(C)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005324987 170085896 /nfs/dbraw/zinc/08/58/96/170085896.db2.gz CMOHXEFYKRPAEM-MRXNPFEDSA-N 1 0 289.419 3.803 10 0 CHAERO Cc1ccc2c(c1)N1CCC[NH+]=C1N2Cc1ccccc1 ZINC000005330987 170086128 /nfs/dbraw/zinc/08/61/28/170086128.db2.gz FHDPWELUDVJVGD-UHFFFAOYSA-N 1 0 277.371 3.581 10 0 CHAERO Cc1ccc(-c2csc(C[C@@H]3CCC[NH2+]3)n2)cc1C ZINC000011883961 170451810 /nfs/dbraw/zinc/45/18/10/170451810.db2.gz YLRYZUFXKMJHDG-AWEZNQCLSA-N 1 0 272.417 3.721 10 0 CHAERO Cc1cc(OCc2ccccc2C[NH3+])ccc1Cl ZINC000011945019 170459763 /nfs/dbraw/zinc/45/97/63/170459763.db2.gz PVUGVTICJNYDAM-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000013557297 170562071 /nfs/dbraw/zinc/56/20/71/170562071.db2.gz NLOSPVRQRDAXEJ-QZTJIDSGSA-N 1 0 251.373 3.695 10 0 CHAERO CC(C)OCCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC000013722001 170582000 /nfs/dbraw/zinc/58/20/00/170582000.db2.gz OMGHOYXIWXVJPY-HWKANZROSA-N 1 0 267.800 3.758 10 0 CHAERO COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OC ZINC000013725970 170582408 /nfs/dbraw/zinc/58/24/08/170582408.db2.gz ZUCHOOGVDVFCSI-HNNXBMFYSA-N 1 0 299.414 3.815 10 0 CHAERO CC(C)OC[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000019282388 170772445 /nfs/dbraw/zinc/77/24/45/170772445.db2.gz HBRGFYZUHVNFSC-KRWDZBQOSA-N 1 0 255.361 3.778 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000019414864 170791284 /nfs/dbraw/zinc/79/12/84/170791284.db2.gz XDZAZPSMRRQAGP-CYBMUJFWSA-N 1 0 253.679 3.666 10 0 CHAERO c1ccc2sc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)nc2c1 ZINC000019486708 170812951 /nfs/dbraw/zinc/81/29/51/170812951.db2.gz DAAPVJAWAKQSPW-LOWVWBTDSA-N 1 0 258.390 3.890 10 0 CHAERO CC(C)n1c2ccccc2nc1[C@@H]([NH3+])Cc1ccccc1 ZINC000019750488 170852541 /nfs/dbraw/zinc/85/25/41/170852541.db2.gz MUHNTGHQJHVFLI-HNNXBMFYSA-N 1 0 279.387 3.860 10 0 CHAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000019803560 170872665 /nfs/dbraw/zinc/87/26/65/170872665.db2.gz JQSFTRQHLLELEB-KRWDZBQOSA-N 1 0 272.367 3.660 10 0 CHAERO COc1cccc(OC)c1Oc1ccc(F)cc1[C@H](C)[NH3+] ZINC000019873427 170903398 /nfs/dbraw/zinc/90/33/98/170903398.db2.gz KFEMCMVFEICYBO-JTQLQIEISA-N 1 0 291.322 3.655 10 0 CHAERO C[C@H]([NH3+])c1ccc(Sc2nc3ccccc3[nH]2)c(F)c1 ZINC000019873964 170903801 /nfs/dbraw/zinc/90/38/01/170903801.db2.gz HSRNGZCYRXHTEX-VIFPVBQESA-N 1 0 287.363 3.873 10 0 CHAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000019902997 170914632 /nfs/dbraw/zinc/91/46/32/170914632.db2.gz UXKOSYPEIJSUGN-CHWSQXEVSA-N 1 0 263.381 3.687 10 0 CHAERO COc1cc([C@H](C)[NH2+]Cc2ccc(C)cc2)ccc1O ZINC000019962591 170944084 /nfs/dbraw/zinc/94/40/84/170944084.db2.gz NHXCRLJGYMUBNY-ZDUSSCGKSA-N 1 0 271.360 3.560 10 0 CHAERO CCOc1ccc([C@H]([NH3+])CC(C)(C)C)cc1OCC ZINC000019967823 170949439 /nfs/dbraw/zinc/94/94/39/170949439.db2.gz OJKDEZQYLNTLQL-CYBMUJFWSA-N 1 0 265.397 3.920 10 0 CHAERO C[C@H]([NH2+][C@@H]1COc2cc(O)ccc21)c1cccc(Cl)c1 ZINC000020124287 171006403 /nfs/dbraw/zinc/00/64/03/171006403.db2.gz KOHAPTCPSGHGME-ZUZCIYMTSA-N 1 0 289.762 3.830 10 0 CHAERO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2C)ccc1O ZINC000020126106 171009681 /nfs/dbraw/zinc/00/96/81/171009681.db2.gz AGGUNVKYFASPBI-AWEZNQCLSA-N 1 0 285.387 3.950 10 0 CHAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1 ZINC000020129310 171016936 /nfs/dbraw/zinc/01/69/36/171016936.db2.gz MEBXHYYUBTYHNN-CRAIPNDOSA-N 1 0 268.404 3.640 10 0 CHAERO Cc1ccc(C[NH2+]Cc2nc3ccccc3s2)s1 ZINC000020136388 171024004 /nfs/dbraw/zinc/02/40/04/171024004.db2.gz WGGBIYHGGOANDV-UHFFFAOYSA-N 1 0 274.414 3.956 10 0 CHAERO C[C@@H]([NH2+]Cc1ccncc1)c1cccc(Br)c1 ZINC000020139801 171027223 /nfs/dbraw/zinc/02/72/23/171027223.db2.gz WQCHCQGZWNEEAC-LLVKDONJSA-N 1 0 291.192 3.695 10 0 CHAERO CCOc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1F ZINC000020177163 171042689 /nfs/dbraw/zinc/04/26/89/171042689.db2.gz RBTZFBFMVGUNDZ-LLVKDONJSA-N 1 0 251.345 3.818 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1Br ZINC000020206723 171071065 /nfs/dbraw/zinc/07/10/65/171071065.db2.gz OOPBOOGRNSHMKO-MJVIPROJSA-N 1 0 298.224 3.667 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000020208217 171072541 /nfs/dbraw/zinc/07/25/41/171072541.db2.gz QKNWBKHCVZPZOO-BHDSKKPTSA-N 1 0 271.763 3.697 10 0 CHAERO Clc1cc(Cl)c(OC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000020221638 171082913 /nfs/dbraw/zinc/08/29/13/171082913.db2.gz HHRMCOHRMIPACO-QMMMGPOBSA-N 1 0 280.582 3.778 10 0 CHAERO CCc1ccc([C@@H](C[NH3+])N(C)Cc2ccc(F)cc2)cc1 ZINC000020225708 171089367 /nfs/dbraw/zinc/08/93/67/171089367.db2.gz UMZFQDFWRYTIJB-GOSISDBHSA-N 1 0 286.394 3.520 10 0 CHAERO CN(Cc1ccccc1F)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226004 171090455 /nfs/dbraw/zinc/09/04/55/171090455.db2.gz XROBVKVCFRSTOB-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CN(CC1CCCCC1)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226292 171091376 /nfs/dbraw/zinc/09/13/76/171091376.db2.gz FFOANPCPPTUHPF-HNNXBMFYSA-N 1 0 298.833 3.991 10 0 CHAERO Cc1ccc([C@H]([NH3+])[C@@H](C)n2ccnc2C(C)C)cc1 ZINC000020262073 171119891 /nfs/dbraw/zinc/11/98/91/171119891.db2.gz WINQOOYGESEFIP-UKRRQHHQSA-N 1 0 257.381 3.576 10 0 CHAERO Cc1nc(Cc2ccc(Cl)cc2Cl)sc1C[NH3+] ZINC000020273794 171130966 /nfs/dbraw/zinc/13/09/66/171130966.db2.gz IEHFCQAXBUCWOS-UHFFFAOYSA-N 1 0 287.215 3.808 10 0 CHAERO [NH3+][C@H](CCc1ccccc1)c1ccc2c(c1)CCC2 ZINC000020384577 171175333 /nfs/dbraw/zinc/17/53/33/171175333.db2.gz QNSBMLOWMIFRDU-GOSISDBHSA-N 1 0 251.373 3.808 10 0 CHAERO Cc1ccc(-n2cc(C[NH3+])c(-c3ccc(Cl)cc3)n2)cc1 ZINC000020390719 171179610 /nfs/dbraw/zinc/17/96/10/171179610.db2.gz NEUYPIZINBPTDZ-UHFFFAOYSA-N 1 0 297.789 3.960 10 0 CHAERO Cc1cc(C[NH2+][C@@H]2CCCc3occc32)cc(C)c1O ZINC000020424333 171191080 /nfs/dbraw/zinc/19/10/80/171191080.db2.gz YAVOCKUBVGVWMC-OAHLLOKOSA-N 1 0 271.360 3.769 10 0 CHAERO [NH3+][C@H](Cc1c(F)cccc1Cl)c1ccc(F)cc1F ZINC000020425919 171192153 /nfs/dbraw/zinc/19/21/53/171192153.db2.gz CTWPWIBZQPVKKB-CQSZACIVSA-N 1 0 285.696 4.000 10 0 CHAERO Cc1ccccc1[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020434856 171200506 /nfs/dbraw/zinc/20/05/06/171200506.db2.gz XYMNPBUXCDGJEF-KRWDZBQOSA-N 1 0 255.361 3.830 10 0 CHAERO CC1CCC(Oc2cccc(Cl)c2C[NH3+])CC1 ZINC000020470111 171211771 /nfs/dbraw/zinc/21/17/71/171211771.db2.gz ILFLUMIGNTZEMO-UHFFFAOYSA-N 1 0 253.773 3.756 10 0 CHAERO COc1ccc(F)cc1[C@H]([NH3+])CCC1CCCC1 ZINC000020470506 171212074 /nfs/dbraw/zinc/21/20/74/171212074.db2.gz XIIYUCDSNHNZPN-CQSZACIVSA-N 1 0 251.345 3.805 10 0 CHAERO CCCC[NH+](CCCC)[C@@]1(CN)CCCC[C@H]1C ZINC000020484887 171224241 /nfs/dbraw/zinc/22/42/41/171224241.db2.gz MCYQKOPHGAZTHE-HZPDHXFCSA-N 1 0 254.462 3.796 10 0 CHAERO CC(C)(C)OC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000020510876 171230763 /nfs/dbraw/zinc/23/07/63/171230763.db2.gz YEZUVXYIRVRQLF-LLVKDONJSA-N 1 0 261.287 3.520 10 0 CHAERO CCC(C)(C)OC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020511788 171231090 /nfs/dbraw/zinc/23/10/90/171231090.db2.gz WZZXHGPRHWEGEB-UZZMVUAXSA-N 1 0 265.441 3.735 10 0 CHAERO C[C@@H]1CCC[C@@H](Oc2cccc(Cl)c2C[NH3+])C1 ZINC000020517780 171233298 /nfs/dbraw/zinc/23/32/98/171233298.db2.gz SKGFZOJXJDVOND-GHMZBOCLSA-N 1 0 253.773 3.756 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cccc(C)c2)cc1Cl ZINC000020521877 171235328 /nfs/dbraw/zinc/23/53/28/171235328.db2.gz ZTLOSTIXHHQRHV-OAHLLOKOSA-N 1 0 261.752 3.705 10 0 CHAERO COC[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)cc2)C1 ZINC000020541387 171241922 /nfs/dbraw/zinc/24/19/22/171241922.db2.gz FNOGULLYYUGWJV-INIZCTEOSA-N 1 0 299.389 3.961 10 0 CHAERO CCCOc1ccc([C@H]([NH3+])CO[C@@H](C)CC(C)C)cc1 ZINC000020549499 171246411 /nfs/dbraw/zinc/24/64/11/171246411.db2.gz SIYOBUSJMJHWGV-WMLDXEAASA-N 1 0 279.424 3.926 10 0 CHAERO CC(C)Oc1ccc([C@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020553217 171248841 /nfs/dbraw/zinc/24/88/41/171248841.db2.gz HKIMEISSRDVBIU-RVKKMQEKSA-N 1 0 290.451 3.737 10 0 CHAERO CC(C)[NH+](CCN[C@H]1CCCc2ccccc21)C(C)C ZINC000020561752 171252353 /nfs/dbraw/zinc/25/23/53/171252353.db2.gz WRXYGQQPGZBHMD-SFHVURJKSA-N 1 0 274.452 3.772 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000020564669 171253628 /nfs/dbraw/zinc/25/36/28/171253628.db2.gz FIKHPPTVPLIQRQ-DAYGRLMNSA-N 1 0 283.419 3.787 10 0 CHAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCOCc1ccco1 ZINC000020567242 171255354 /nfs/dbraw/zinc/25/53/54/171255354.db2.gz CXLCIPIUSJWTGD-MZBDJJRSSA-N 1 0 265.397 3.601 10 0 CHAERO Fc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020595889 171264342 /nfs/dbraw/zinc/26/43/42/171264342.db2.gz JKPATRPQYZAMTP-HNNXBMFYSA-N 1 0 288.341 3.651 10 0 CHAERO Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000020595934 171264358 /nfs/dbraw/zinc/26/43/58/171264358.db2.gz CXGJOZDZDDWDDP-SFHVURJKSA-N 1 0 266.388 3.681 10 0 CHAERO Fc1cc(F)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595918 171264526 /nfs/dbraw/zinc/26/45/26/171264526.db2.gz GJXMBGNPWTXBSO-MRXNPFEDSA-N 1 0 288.341 3.651 10 0 CHAERO CCCC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928290 171280505 /nfs/dbraw/zinc/28/05/05/171280505.db2.gz ISDQBVOYNFLGEJ-UHFFFAOYSA-N 1 0 262.180 3.892 10 0 CHAERO CCCOc1c(Cl)cc(C[NH2+]CC)cc1Cl ZINC000020926350 171280635 /nfs/dbraw/zinc/28/06/35/171280635.db2.gz MCAGHQPDKAXGOP-UHFFFAOYSA-N 1 0 262.180 3.892 10 0 CHAERO CCOc1ccccc1O[C@H]1CCCCCC[C@H]1[NH3+] ZINC000021011531 171287340 /nfs/dbraw/zinc/28/73/40/171287340.db2.gz QIASXGNQYSSYTL-KGLIPLIRSA-N 1 0 263.381 3.514 10 0 CHAERO CCCC[N@H+](CC)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1N ZINC000021012605 171288056 /nfs/dbraw/zinc/28/80/56/171288056.db2.gz XVMZEEYSJHAIJP-OKZBNKHCSA-N 1 0 274.452 3.772 10 0 CHAERO CCCCC[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000021013828 171288974 /nfs/dbraw/zinc/28/89/74/171288974.db2.gz KRILBXBETHCALI-UHFFFAOYSA-N 1 0 266.473 3.955 10 0 CHAERO Cc1cccc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000021014026 171288992 /nfs/dbraw/zinc/28/89/92/171288992.db2.gz PFTXUJDZDAETFF-CWRNSKLLSA-N 1 0 261.409 3.916 10 0 CHAERO CCCCC[C@@H](C)[NH2+]C[C@H](C(CC)CC)N(C)C ZINC000021040127 171293495 /nfs/dbraw/zinc/29/34/95/171293495.db2.gz ILBOEMIUPDTXDR-GDBMZVCRSA-N 1 0 256.478 3.911 10 0 CHAERO CCc1cccc(O[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000021505303 171307376 /nfs/dbraw/zinc/30/73/76/171307376.db2.gz CJDNCDVQHIGPQM-SUMWQHHRSA-N 1 0 255.361 3.716 10 0 CHAERO CCCc1ccc([C@@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021507827 171308960 /nfs/dbraw/zinc/30/89/60/171308960.db2.gz BXJXXXRTMFIEJM-DAYGRLMNSA-N 1 0 274.452 3.617 10 0 CHAERO Cc1ccc(OC[C@H]([NH3+])c2ccc(C)cc2C)c(C)c1 ZINC000021513563 171311271 /nfs/dbraw/zinc/31/12/71/171311271.db2.gz IZQBBOAZHOVETA-KRWDZBQOSA-N 1 0 269.388 3.999 10 0 CHAERO CCN(CC)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000021513473 171311349 /nfs/dbraw/zinc/31/13/49/171311349.db2.gz BEPHFUSCAGIFFA-INIZCTEOSA-N 1 0 262.441 3.604 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+]([C@@H](CN)c2ccc(C(C)(C)C)cc2)C1 ZINC000021517887 171314105 /nfs/dbraw/zinc/31/41/05/171314105.db2.gz RWOPBQVSYOELFC-MPGHIAIKSA-N 1 0 288.479 3.962 10 0 CHAERO COc1ccc(C)cc1[C@H]([NH3+])COc1cc(C)cc(C)c1 ZINC000021518681 171314839 /nfs/dbraw/zinc/31/48/39/171314839.db2.gz XWRNXISVTNBDAL-QGZVFWFLSA-N 1 0 285.387 3.699 10 0 CHAERO Cc1ccc(C)c([C@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000021793743 171324741 /nfs/dbraw/zinc/32/47/41/171324741.db2.gz OIUIGUZYUXJOGA-HLLBOEOZSA-N 1 0 260.425 3.566 10 0 CHAERO CCCOc1ccccc1O[C@H](CC)[C@H]([NH3+])CCC ZINC000021800907 171325906 /nfs/dbraw/zinc/32/59/06/171325906.db2.gz IZYNBXIEVWLPQK-ZIAGYGMSSA-N 1 0 265.397 3.760 10 0 CHAERO [NH3+][C@H]1CCCCC[C@@H]1Oc1cccc2ccccc21 ZINC000021800287 171325974 /nfs/dbraw/zinc/32/59/74/171325974.db2.gz QHYAHVDIMILDDO-RDJZCZTQSA-N 1 0 255.361 3.879 10 0 CHAERO CCN(c1ccccc1C)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000021812462 171329711 /nfs/dbraw/zinc/32/97/11/171329711.db2.gz DMRFSAMRLLGCRT-MAUKXSAKSA-N 1 0 268.404 3.910 10 0 CHAERO Cc1cc(C)c([C@H]([NH3+])Cc2ccccc2F)c(C)c1 ZINC000021813595 171330929 /nfs/dbraw/zinc/33/09/29/171330929.db2.gz UKDAJDHZKLLNMC-MRXNPFEDSA-N 1 0 257.352 3.993 10 0 CHAERO CCOc1ccc([C@@H](N)C[N@H+](CC)C2CCCCC2)cc1 ZINC000021816718 171332627 /nfs/dbraw/zinc/33/26/27/171332627.db2.gz AWNZLDDHICDMRF-SFHVURJKSA-N 1 0 290.451 3.740 10 0 CHAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCC[NH2+]C1 ZINC000022015175 171349550 /nfs/dbraw/zinc/34/95/50/171349550.db2.gz HQIPGGFPWWPHBQ-GFCCVEGCSA-N 1 0 276.380 3.501 10 0 CHAERO CC(C)(C)c1ccccc1Oc1ncccc1C[NH3+] ZINC000022166266 171365601 /nfs/dbraw/zinc/36/56/01/171365601.db2.gz RJYPTLSIGQVFTB-UHFFFAOYSA-N 1 0 256.349 3.630 10 0 CHAERO Cc1cc(Oc2ncccc2C[NH3+])ccc1C(C)C ZINC000022223380 171379353 /nfs/dbraw/zinc/37/93/53/171379353.db2.gz AGDQRXXUWNLDHS-UHFFFAOYSA-N 1 0 256.349 3.764 10 0 CHAERO CCOc1ccc(O[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000023066638 171408121 /nfs/dbraw/zinc/40/81/21/171408121.db2.gz LNYQQJWXRZXBKR-SUMWQHHRSA-N 1 0 271.360 3.553 10 0 CHAERO Cc1ccccc1O[C@H](CCC[NH3+])c1ccccc1 ZINC000032108779 171701312 /nfs/dbraw/zinc/70/13/12/171701312.db2.gz RHUNBCXGNUTQGR-QGZVFWFLSA-N 1 0 255.361 3.854 10 0 CHAERO CC(C)[NH2+]Cc1ccc(OCCc2ccccc2)cc1 ZINC000032117736 171709998 /nfs/dbraw/zinc/70/99/98/171709998.db2.gz ZQYZBCQHSAANRO-UHFFFAOYSA-N 1 0 269.388 3.806 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2cc(F)cc(F)c2)s1 ZINC000034671612 171857159 /nfs/dbraw/zinc/85/71/59/171857159.db2.gz HCMSRSWSKCWYEI-QMMMGPOBSA-N 1 0 253.317 3.974 10 0 CHAERO CC[NH2+]Cc1ccccc1N(CC)c1ccccc1 ZINC000034824064 171878025 /nfs/dbraw/zinc/87/80/25/171878025.db2.gz AFPABOJVFWVOTM-UHFFFAOYSA-N 1 0 254.377 3.954 10 0 CHAERO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(F)c(F)c1 ZINC000034992859 171919886 /nfs/dbraw/zinc/91/98/86/171919886.db2.gz PMHZCLQDUFQTHR-SNVBAGLBSA-N 1 0 263.287 3.521 10 0 CHAERO COc1ccc(C)cc1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000035161974 172022245 /nfs/dbraw/zinc/02/22/45/172022245.db2.gz LDZZIFJLHNMKNZ-OAHLLOKOSA-N 1 0 269.388 3.897 10 0 CHAERO C[C@H]1CC(C)(C)C[C@@](CN)([N@H+](C)C2CCCCC2)C1 ZINC000035176642 172029582 /nfs/dbraw/zinc/02/95/82/172029582.db2.gz VGXPGIUBORNBEI-YOEHRIQHSA-N 1 0 266.473 3.795 10 0 CHAERO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1O ZINC000035257250 172088008 /nfs/dbraw/zinc/08/80/08/172088008.db2.gz BFJSNTXRPLIGBI-UHFFFAOYSA-N 1 0 265.397 3.705 10 0 CHAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000035258122 172089196 /nfs/dbraw/zinc/08/91/96/172089196.db2.gz PEKMDTGHNUNXPU-VXGBXAGGSA-N 1 0 261.287 3.799 10 0 CHAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)cs1 ZINC000035258202 172089628 /nfs/dbraw/zinc/08/96/28/172089628.db2.gz LJLFNHIBWNZDGU-GHMZBOCLSA-N 1 0 278.343 3.662 10 0 CHAERO CC(C)C[NH2+]Cc1cccn1Cc1cccc(Cl)c1 ZINC000035293087 172105606 /nfs/dbraw/zinc/10/56/06/172105606.db2.gz SKXBTUDDSCAMSG-UHFFFAOYSA-N 1 0 276.811 3.935 10 0 CHAERO C[C@@H](NC1=[NH+][C@@H](C)CS1)C12CC3CC(CC(C3)C1)C2 ZINC000035294341 172105809 /nfs/dbraw/zinc/10/58/09/172105809.db2.gz ONPQBSUYNVVFAK-NUOQBOJZSA-N 1 0 278.465 3.672 10 0 CHAERO Cc1ccc(C)c([C@@H]([NH3+])c2ccc(Br)o2)c1 ZINC000035381060 172163805 /nfs/dbraw/zinc/16/38/05/172163805.db2.gz AJFLFLDIOMYGFR-CYBMUJFWSA-N 1 0 280.165 3.707 10 0 CHAERO COc1ccc([C@H]([NH3+])CCC2CCCC2)cc1F ZINC000035424198 172192515 /nfs/dbraw/zinc/19/25/15/172192515.db2.gz ASKDGWSCCZZPFY-CQSZACIVSA-N 1 0 251.345 3.805 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1OC)c1ccc(C)s1 ZINC000035458845 172207348 /nfs/dbraw/zinc/20/73/48/172207348.db2.gz NKCNPXKOIVLCHY-ZDUSSCGKSA-N 1 0 261.390 3.568 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000035459001 172208196 /nfs/dbraw/zinc/20/81/96/172208196.db2.gz PSEPKKPCYXLPOS-CYBMUJFWSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(F)cc(F)c1 ZINC000035459066 172208323 /nfs/dbraw/zinc/20/83/23/172208323.db2.gz AUKVFTMLDZDENY-ZDUSSCGKSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(C)c(OC)c1 ZINC000035458979 172208602 /nfs/dbraw/zinc/20/86/02/172208602.db2.gz OCLYYKGCIQCZPM-HNNXBMFYSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000035460011 172208814 /nfs/dbraw/zinc/20/88/14/172208814.db2.gz GYWFYFRFSZKOIM-INIZCTEOSA-N 1 0 257.402 3.936 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2ccc(F)c(F)c2)s1 ZINC000035460830 172209129 /nfs/dbraw/zinc/20/91/29/172209129.db2.gz KNTADJJQDHHSPT-CQSZACIVSA-N 1 0 267.344 3.898 10 0 CHAERO CCc1ccc([C@@H](Cc2ccc(OC)cc2)[NH2+]C)s1 ZINC000035461290 172210099 /nfs/dbraw/zinc/21/00/99/172210099.db2.gz MWZBATSNHLWQKA-OAHLLOKOSA-N 1 0 275.417 3.822 10 0 CHAERO CCc1ccc([C@H](Cc2ccccc2F)[NH2+]C)s1 ZINC000035461109 172210386 /nfs/dbraw/zinc/21/03/86/172210386.db2.gz FKRODVNSRFHKRF-AWEZNQCLSA-N 1 0 263.381 3.953 10 0 CHAERO C[NH2+][C@@H](c1ccoc1C)c1ccc(Br)cc1 ZINC000035462369 172210964 /nfs/dbraw/zinc/21/09/64/172210964.db2.gz ROTRYDOEJTYAOK-CYBMUJFWSA-N 1 0 280.165 3.659 10 0 CHAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)c(Cl)c1 ZINC000035462218 172211077 /nfs/dbraw/zinc/21/10/77/172211077.db2.gz BJCZPYDAWHOQPA-VIFPVBQESA-N 1 0 267.678 3.562 10 0 CHAERO C[NH2+][C@H](c1cc2c(s1)CCC2)c1ccc(F)cc1 ZINC000035463533 172211401 /nfs/dbraw/zinc/21/14/01/172211401.db2.gz DSSQWDKSPZFPAB-HNNXBMFYSA-N 1 0 261.365 3.685 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccc(Cl)cc1 ZINC000035464412 172212593 /nfs/dbraw/zinc/21/25/93/172212593.db2.gz ROSACKKRYAXLMJ-INIZCTEOSA-N 1 0 275.779 3.852 10 0 CHAERO C[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000035465023 172212620 /nfs/dbraw/zinc/21/26/20/172212620.db2.gz XXRPKRPTATWYAR-AWEZNQCLSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)cc1)c1ccc(F)cc1Cl ZINC000035465802 172212817 /nfs/dbraw/zinc/21/28/17/172212817.db2.gz ZEWJDCLBJJETBV-OAHLLOKOSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1Br ZINC000035465404 172213106 /nfs/dbraw/zinc/21/31/06/172213106.db2.gz LTDRMJADWXOCAT-AWEZNQCLSA-N 1 0 294.167 3.897 10 0 CHAERO CCOc1ccc([C@@H]([NH2+]C)c2cccc(C)c2)cc1 ZINC000035466541 172214338 /nfs/dbraw/zinc/21/43/38/172214338.db2.gz JGKQQISQPYMIGY-QGZVFWFLSA-N 1 0 255.361 3.703 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1ccc(OC(F)F)cc1 ZINC000035487882 172222692 /nfs/dbraw/zinc/22/26/92/172222692.db2.gz LPCBLMOCLZVNHT-LBPRGKRZSA-N 1 0 269.316 3.658 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000035488036 172223313 /nfs/dbraw/zinc/22/33/13/172223313.db2.gz OGTMOHMCVILXJA-LBPRGKRZSA-N 1 0 251.782 3.905 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1C)c1ccc(F)cc1F ZINC000035491807 172226527 /nfs/dbraw/zinc/22/65/27/172226527.db2.gz ZVGXJRSRHRVYIO-INIZCTEOSA-N 1 0 261.315 3.776 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc(F)c(F)c1 ZINC000035494142 172228113 /nfs/dbraw/zinc/22/81/13/172228113.db2.gz ZDUTUVCVAGJHDZ-LBPRGKRZSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@@H](c1ccc2c(c1)CCC2)c1ccccc1C ZINC000035497080 172230854 /nfs/dbraw/zinc/23/08/54/172230854.db2.gz YDMILPIRKGMMOJ-SFHVURJKSA-N 1 0 251.373 3.793 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)[C@@H]1Cc2ccccc2O1 ZINC000035497604 172231190 /nfs/dbraw/zinc/23/11/90/172231190.db2.gz DZCGAQNJNVGGLX-HOTGVXAUSA-N 1 0 273.401 3.629 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1OC)c1ccc(Cl)s1 ZINC000035498051 172231467 /nfs/dbraw/zinc/23/14/67/172231467.db2.gz UFPXIWDDVKYQTJ-NSHDSACASA-N 1 0 281.808 3.913 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000035498180 172231549 /nfs/dbraw/zinc/23/15/49/172231549.db2.gz JITKZULKKMIPEU-GFCCVEGCSA-N 1 0 273.735 3.989 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(F)ccc1OC ZINC000035498975 172232228 /nfs/dbraw/zinc/23/22/28/172232228.db2.gz BKEOLIRICAWVGC-AWEZNQCLSA-N 1 0 265.353 3.513 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000035498358 172232501 /nfs/dbraw/zinc/23/25/01/172232501.db2.gz QXFDYXCOTDNMFI-LBPRGKRZSA-N 1 0 255.745 3.849 10 0 CHAERO CCOc1ccc(Br)cc1[C@H]([NH2+]C)[C@@H]1C[C@@H]1C ZINC000035505970 172239083 /nfs/dbraw/zinc/23/90/83/172239083.db2.gz OYZVPEICUQOMOA-DRCTWCGVSA-N 1 0 298.224 3.764 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(OC)c(C)c1 ZINC000035506066 172239414 /nfs/dbraw/zinc/23/94/14/172239414.db2.gz APLRKWSQQFMWDC-HNNXBMFYSA-N 1 0 261.390 3.682 10 0 CHAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(Br)cc1 ZINC000035538778 172245442 /nfs/dbraw/zinc/24/54/42/172245442.db2.gz LMEBVSCLZCVLID-CYBMUJFWSA-N 1 0 280.165 3.741 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)C1CCCC1 ZINC000035539609 172245616 /nfs/dbraw/zinc/24/56/16/172245616.db2.gz DDNAFFCEDSMGRR-MRXNPFEDSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1ccc(CCOC)cc1 ZINC000035541925 172249262 /nfs/dbraw/zinc/24/92/62/172249262.db2.gz GVDRNDGADBSARO-INIZCTEOSA-N 1 0 275.417 3.636 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1F ZINC000035547601 172256161 /nfs/dbraw/zinc/25/61/61/172256161.db2.gz VQWSGKPETUGFEU-JTQLQIEISA-N 1 0 253.214 3.568 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1cc(F)ccc1OC ZINC000035554255 172260616 /nfs/dbraw/zinc/26/06/16/172260616.db2.gz CGPZHPRNPMYVIX-AWEZNQCLSA-N 1 0 265.353 3.595 10 0 CHAERO CC[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1cnn(C)c1 ZINC000035555620 172261688 /nfs/dbraw/zinc/26/16/88/172261688.db2.gz IHPFDTVOYVQGMS-GXTWGEPZSA-N 1 0 251.418 3.533 10 0 CHAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)[C@H](C)CC ZINC000035557787 172263242 /nfs/dbraw/zinc/26/32/42/172263242.db2.gz HZZUXRRZUMPHRY-MEBBXXQBSA-N 1 0 283.799 3.808 10 0 CHAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000035558263 172263584 /nfs/dbraw/zinc/26/35/84/172263584.db2.gz GMAJZBXSRFCWMY-OLZOCXBDSA-N 1 0 274.191 3.823 10 0 CHAERO CCC[C@@H]([NH2+]CC)c1cc2c(cc1Cl)OCCO2 ZINC000035557733 172263908 /nfs/dbraw/zinc/26/39/08/172263908.db2.gz HCNFYYZLXRRMDZ-GFCCVEGCSA-N 1 0 269.772 3.562 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1ccc(OC)c(F)c1 ZINC000035572036 172267996 /nfs/dbraw/zinc/26/79/96/172267996.db2.gz XHNKAYPIZKWMAV-AWEZNQCLSA-N 1 0 265.353 3.595 10 0 CHAERO CCC[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCO2 ZINC000035579122 172275277 /nfs/dbraw/zinc/27/52/77/172275277.db2.gz MMFAPFXZQNITCV-MRXNPFEDSA-N 1 0 273.401 3.772 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1cccnc1 ZINC000035583569 172281956 /nfs/dbraw/zinc/28/19/56/172281956.db2.gz AHJTWYGYQFFRJF-CYBMUJFWSA-N 1 0 266.797 3.886 10 0 CHAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)[C@@H](C)CC ZINC000035583909 172282801 /nfs/dbraw/zinc/28/28/01/172282801.db2.gz IDGJKWWGLQQPHJ-NHYWBVRUSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[C@H](C)C(=O)Nc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000035635051 172319382 /nfs/dbraw/zinc/31/93/82/172319382.db2.gz WCHLJBQBPKPXDT-QWHCGFSZSA-N 1 0 262.397 3.732 10 0 CHAERO CC[NH2+][C@@H]1CCCOc2c(Br)cc(C)cc21 ZINC000035653791 172330127 /nfs/dbraw/zinc/33/01/27/172330127.db2.gz VKVMOKPNHCCSJR-GFCCVEGCSA-N 1 0 284.197 3.581 10 0 CHAERO CCC[NH2+][C@@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654245 172331000 /nfs/dbraw/zinc/33/10/00/172331000.db2.gz QEUDNUKIWHIIGJ-SNVBAGLBSA-N 1 0 260.164 3.817 10 0 CHAERO CCc1cc2c(c(C(C)(C)C)c1)OC[C@@H]2[NH2+]C1CC1 ZINC000035654403 172331714 /nfs/dbraw/zinc/33/17/14/172331714.db2.gz DGGBQQOELRYLBA-HNNXBMFYSA-N 1 0 259.393 3.732 10 0 CHAERO Cc1cc2c(c(C)c1Cl)[C@@H]([NH2+]C(C)C)CCO2 ZINC000035657756 172332291 /nfs/dbraw/zinc/33/22/91/172332291.db2.gz NLJWXBSQNJHEOI-NSHDSACASA-N 1 0 253.773 3.778 10 0 CHAERO CN(Cc1ccsc1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000035719113 172373278 /nfs/dbraw/zinc/37/32/78/172373278.db2.gz RMZYEJDTDKKVQY-CQSZACIVSA-N 1 0 280.824 3.533 10 0 CHAERO CC(C)CSc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000035719883 172374925 /nfs/dbraw/zinc/37/49/25/172374925.db2.gz BEAVGWKXXBDILG-UHFFFAOYSA-N 1 0 263.328 3.912 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1ccc(F)c(F)c1 ZINC000035722081 172377736 /nfs/dbraw/zinc/37/77/36/172377736.db2.gz SBKZXIZHFFMXFZ-HZMBPMFUSA-N 1 0 271.376 3.965 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1ccc(Cl)cc1 ZINC000035722554 172378099 /nfs/dbraw/zinc/37/80/99/172378099.db2.gz URZKYMAWJRFHDT-GXFFZTMASA-N 1 0 255.814 3.950 10 0 CHAERO [NH3+]C[C@@H]1CCC[C@@H]1Sc1nc2ccccc2s1 ZINC000035722495 172378271 /nfs/dbraw/zinc/37/82/71/172378271.db2.gz WSQLTQUGEZGKFD-ONGXEEELSA-N 1 0 264.419 3.516 10 0 CHAERO COc1cccc(S[C@@H]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC000035723278 172378627 /nfs/dbraw/zinc/37/86/27/172378627.db2.gz BMDYYEVURAYZKR-TYNCELHUSA-N 1 0 265.422 3.551 10 0 CHAERO COc1cccc(S[C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC000035723275 172378932 /nfs/dbraw/zinc/37/89/32/172378932.db2.gz BMDYYEVURAYZKR-LALPHHSUSA-N 1 0 265.422 3.551 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1cc(F)ccc1F ZINC000035725007 172379947 /nfs/dbraw/zinc/37/99/47/172379947.db2.gz QSDZYKNMZJQBOK-SKDRFNHKSA-N 1 0 257.349 3.574 10 0 CHAERO [NH3+]Cc1ccc(COCc2ccccc2Cl)c(F)c1 ZINC000035725705 172380061 /nfs/dbraw/zinc/38/00/61/172380061.db2.gz VZYMVZDHBGVSGX-UHFFFAOYSA-N 1 0 279.742 3.655 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccco1 ZINC000035738816 172392376 /nfs/dbraw/zinc/39/23/76/172392376.db2.gz BUNUOFKZEWQIGV-QWHCGFSZSA-N 1 0 287.359 3.853 10 0 CHAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2ccc(OC)cc21 ZINC000035760779 172399518 /nfs/dbraw/zinc/39/95/18/172399518.db2.gz MKUQBXBVEAYPBK-MFKMUULPSA-N 1 0 251.395 3.620 10 0 CHAERO C[C@H]1C[C@H]([NH2+]C2CC2)c2cc3c(cc2S1)CCC3 ZINC000035761116 172399557 /nfs/dbraw/zinc/39/95/57/172399557.db2.gz OPIMRAVTYWZHSI-BONVTDFDSA-N 1 0 259.418 3.853 10 0 CHAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2c(F)cc(F)cc21 ZINC000035763022 172403027 /nfs/dbraw/zinc/40/30/27/172403027.db2.gz AEKFAJFGHLOOKG-PELKAZGASA-N 1 0 257.349 3.890 10 0 CHAERO C[C@@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)[C@H]1CCCO1 ZINC000036845082 172747594 /nfs/dbraw/zinc/74/75/94/172747594.db2.gz AHAFIBGJBYNZIH-MLVVQWTHSA-N 1 0 279.811 3.743 10 0 CHAERO [NH3+][C@@H](c1cc2c(cc1Cl)OCCO2)C1CCCCC1 ZINC000036926028 172808288 /nfs/dbraw/zinc/80/82/88/172808288.db2.gz RWSVYRBUJNMDFP-OAHLLOKOSA-N 1 0 281.783 3.691 10 0 CHAERO CCC[NH+]1CCC([C@H](C)Nc2cccnc2Cl)CC1 ZINC000036982557 172849060 /nfs/dbraw/zinc/84/90/60/172849060.db2.gz YKIIMJKWYYULOI-LBPRGKRZSA-N 1 0 281.831 3.657 10 0 CHAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037087308 172943974 /nfs/dbraw/zinc/94/39/74/172943974.db2.gz MZXSJRZWKVSRMD-VNHYZAJKSA-N 1 0 263.429 3.602 10 0 CHAERO CCC[N@H+](CC)C1(CN)CCC(C(C)(C)C)CC1 ZINC000037094786 172949529 /nfs/dbraw/zinc/94/95/29/172949529.db2.gz SAXWIPSSLDKOMM-UHFFFAOYSA-N 1 0 254.462 3.652 10 0 CHAERO CSc1cccc(N[C@H](C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000037208863 173030675 /nfs/dbraw/zinc/03/06/75/173030675.db2.gz QGPRYYDMJYIFLO-CHWSQXEVSA-N 1 0 264.438 3.551 10 0 CHAERO CC[NH+]1CCC([C@H](C)Nc2cc(C)cc(C)c2)CC1 ZINC000037210121 173031559 /nfs/dbraw/zinc/03/15/59/173031559.db2.gz HTLSEBLTTBYLPZ-HNNXBMFYSA-N 1 0 260.425 3.836 10 0 CHAERO CCc1ccc(N[C@H](C)C2CC[NH+](CC)CC2)cc1 ZINC000037210163 173031971 /nfs/dbraw/zinc/03/19/71/173031971.db2.gz TZDBFHJTAGURJE-CQSZACIVSA-N 1 0 260.425 3.781 10 0 CHAERO C[C@@H](Nc1cccc(Br)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000037209949 173031992 /nfs/dbraw/zinc/03/19/92/173031992.db2.gz XDSULGJCBDUNAP-VXGBXAGGSA-N 1 0 297.240 3.591 10 0 CHAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cccc(C)c2C)C1 ZINC000037210385 173032574 /nfs/dbraw/zinc/03/25/74/173032574.db2.gz SGZXPHNDCAWXFU-HZPDHXFCSA-N 1 0 260.425 3.836 10 0 CHAERO CCc1ccc([C@@H](N)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000037223686 173043500 /nfs/dbraw/zinc/04/35/00/173043500.db2.gz QJUPWPPORIHWHU-YOEHRIQHSA-N 1 0 260.425 3.513 10 0 CHAERO CCc1ccc([C@H](N)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000037223685 173043753 /nfs/dbraw/zinc/04/37/53/173043753.db2.gz QJUPWPPORIHWHU-WMLDXEAASA-N 1 0 260.425 3.513 10 0 CHAERO CCc1ccc([C@H]([NH3+])[C@@H](C)Oc2ccccc2)cc1 ZINC000037224099 173044617 /nfs/dbraw/zinc/04/46/17/173044617.db2.gz SUEJYFNGOXOYEV-CXAGYDPISA-N 1 0 255.361 3.716 10 0 CHAERO Clc1ccc([C@H]([NH2+]C2CCOCC2)c2ccco2)s1 ZINC000037269638 173081324 /nfs/dbraw/zinc/08/13/24/173081324.db2.gz SYPZTXQNMRVBIK-CQSZACIVSA-N 1 0 297.807 3.853 10 0 CHAERO CC[C@H](C)[N@H+](CC)Cc1cc(C(C)=O)ccc1OC ZINC000037315193 173116551 /nfs/dbraw/zinc/11/65/51/173116551.db2.gz AIMMJXKIWGZVGU-LBPRGKRZSA-N 1 0 263.381 3.518 10 0 CHAERO CC(C)(C)n1c2ccccc2nc1[C@H]([NH3+])c1ccccc1 ZINC000037323673 173124599 /nfs/dbraw/zinc/12/45/99/173124599.db2.gz XCWJAMCLFSCMKV-MRXNPFEDSA-N 1 0 279.387 3.839 10 0 CHAERO [NH3+][C@@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000037378411 173166623 /nfs/dbraw/zinc/16/66/23/173166623.db2.gz RCOFBUUJQYYACV-QMMMGPOBSA-N 1 0 258.070 3.946 10 0 CHAERO CCC(CC)[N@H+](C)[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037415203 173191846 /nfs/dbraw/zinc/19/18/46/173191846.db2.gz QIDXOPBGZCKROP-JTQLQIEISA-N 1 0 269.335 3.656 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@H]([NH3+])CC(C)C ZINC000037438228 173208592 /nfs/dbraw/zinc/20/85/92/173208592.db2.gz PKTBWPMAOMPYSP-CYBMUJFWSA-N 1 0 259.397 3.801 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@@H]([NH3+])CC(C)C ZINC000037438231 173208860 /nfs/dbraw/zinc/20/88/60/173208860.db2.gz PKTBWPMAOMPYSP-ZDUSSCGKSA-N 1 0 259.397 3.801 10 0 CHAERO CCCn1c2ccc(F)cc2nc1[C@@H]([NH3+])CC(C)C ZINC000037439535 173209779 /nfs/dbraw/zinc/20/97/79/173209779.db2.gz TXHVIFOPLQGLJO-LBPRGKRZSA-N 1 0 263.360 3.631 10 0 CHAERO CCC[NH2+][C@H](c1ccsc1)c1cccc(OC)c1 ZINC000037534729 173254636 /nfs/dbraw/zinc/25/46/36/173254636.db2.gz LZFMHCGOBDSRAN-HNNXBMFYSA-N 1 0 261.390 3.846 10 0 CHAERO CCOc1cccc(C[C@@H]([NH3+])CC)c1O[C@H](C)CC ZINC000037728576 173648362 /nfs/dbraw/zinc/64/83/62/173648362.db2.gz WJGKKLDNNUAVNT-OCCSQVGLSA-N 1 0 265.397 3.542 10 0 CHAERO C[NH2+][C@@H](c1c(F)cc(OC)cc1F)C1CCCCC1 ZINC000037903582 173834579 /nfs/dbraw/zinc/83/45/79/173834579.db2.gz UPXPFOGQGZXFCT-OAHLLOKOSA-N 1 0 269.335 3.814 10 0 CHAERO COc1cc(F)c([C@H]([NH3+])c2cccc(Cl)c2)c(F)c1 ZINC000037903330 173834694 /nfs/dbraw/zinc/83/46/94/173834694.db2.gz ILVSJEWZGNFTRA-CQSZACIVSA-N 1 0 283.705 3.675 10 0 CHAERO CC[NH2+][C@H](CCc1cc(Cl)ccc1OC)C(C)C ZINC000037949074 173889442 /nfs/dbraw/zinc/88/94/42/173889442.db2.gz XWGSTVQAXIEQGD-CQSZACIVSA-N 1 0 269.816 3.915 10 0 CHAERO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]CCCC(C)C ZINC000037984757 173945838 /nfs/dbraw/zinc/94/58/38/173945838.db2.gz RGPWTANIOSISKK-IRXDYDNUSA-N 1 0 287.488 3.606 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1C)c1cccc(OC)c1 ZINC000037992400 173952700 /nfs/dbraw/zinc/95/27/00/173952700.db2.gz BDTQDIYITGIBSP-KRWDZBQOSA-N 1 0 255.361 3.507 10 0 CHAERO CCC[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000038005960 173968510 /nfs/dbraw/zinc/96/85/10/173968510.db2.gz PIGMJHZNKRMUJF-AWEZNQCLSA-N 1 0 263.772 3.694 10 0 CHAERO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000038013764 173984284 /nfs/dbraw/zinc/98/42/84/173984284.db2.gz HEMQQBYZFVUKGH-JKSUJKDBSA-N 1 0 290.451 3.567 10 0 CHAERO FC(F)(F)c1ccc(Cl)c(NC2CC[NH2+]CC2)c1 ZINC000038040480 174040562 /nfs/dbraw/zinc/04/05/62/174040562.db2.gz PKRUFKVSMDMJQS-UHFFFAOYSA-N 1 0 278.705 3.523 10 0 CHAERO c1ccc([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038045003 174053351 /nfs/dbraw/zinc/05/33/51/174053351.db2.gz IGYLLBGXLAXDON-JQHSSLGASA-N 1 0 273.420 3.729 10 0 CHAERO CC(C)[NH2+]Cc1c(Cl)cccc1-n1cc(Cl)cn1 ZINC000038053867 174065068 /nfs/dbraw/zinc/06/50/68/174065068.db2.gz DFDWFIYRGCELQN-UHFFFAOYSA-N 1 0 284.190 3.677 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc2c(c1)CCCO2 ZINC000038057884 174068080 /nfs/dbraw/zinc/06/80/80/174068080.db2.gz NGWSSAGMPNZWKB-MRXNPFEDSA-N 1 0 273.401 3.690 10 0 CHAERO [NH3+][C@H](c1cccc(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000038057787 174068374 /nfs/dbraw/zinc/06/83/74/174068374.db2.gz INYABIDRZJCQPU-MRXNPFEDSA-N 1 0 273.763 3.713 10 0 CHAERO CSCc1ccc(-c2ccccc2C(N)=[NH2+])cc1 ZINC000038063717 174074772 /nfs/dbraw/zinc/07/47/72/174074772.db2.gz VRKPMDPSGSHLCJ-UHFFFAOYSA-N 1 0 256.374 3.501 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1ccc(N(C)C)cc1 ZINC000038070108 174081193 /nfs/dbraw/zinc/08/11/93/174081193.db2.gz HNXURQBFSLWMKF-UHFFFAOYSA-N 1 0 254.377 3.529 10 0 CHAERO COc1ccccc1-c1ccccc1C[NH2+]C(C)C ZINC000038070445 174081512 /nfs/dbraw/zinc/08/15/12/174081512.db2.gz ACEWEOKLNSUPDA-UHFFFAOYSA-N 1 0 255.361 3.860 10 0 CHAERO CCOc1ccc(-c2ccc(C[NH2+]C)c(F)c2)cc1 ZINC000038070389 174081601 /nfs/dbraw/zinc/08/16/01/174081601.db2.gz YPWDGZISWFQOML-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc(OC)cc2)cc1F ZINC000038070975 174082119 /nfs/dbraw/zinc/08/21/19/174082119.db2.gz BTYULPUHEWBKJI-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO C[NH2+]Cc1cc(-c2ccc(F)c(C)c2)ccc1OC ZINC000038071328 174082147 /nfs/dbraw/zinc/08/21/47/174082147.db2.gz HTXAYSUSZKTLBK-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccc(OC)cc2C)cc1 ZINC000038072691 174083272 /nfs/dbraw/zinc/08/32/72/174083272.db2.gz YJVAUUQEFJBEGP-CYBMUJFWSA-N 1 0 255.361 3.951 10 0 CHAERO C[C@H]([NH3+])c1cccc(-c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000038073537 174084189 /nfs/dbraw/zinc/08/41/89/174084189.db2.gz ULFCIOXFYJSVSM-RYUDHWBXSA-N 1 0 253.345 3.697 10 0 CHAERO CCCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)cc1 ZINC000038087869 174100380 /nfs/dbraw/zinc/10/03/80/174100380.db2.gz XGVYQCDMVRDBLQ-HUUCEWRRSA-N 1 0 262.441 3.630 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCCO2)cc1C ZINC000038095890 174109383 /nfs/dbraw/zinc/10/93/83/174109383.db2.gz UJWMFZWANVYEAX-CVEARBPZSA-N 1 0 261.409 3.832 10 0 CHAERO Cc1ccc([C@@H]([NH2+]CC[C@@H]2CCCO2)C2CC2)cc1 ZINC000038096260 174110531 /nfs/dbraw/zinc/11/05/31/174110531.db2.gz YWKZENMFKPDHBR-DLBZAZTESA-N 1 0 259.393 3.605 10 0 CHAERO [NH3+][C@H](Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000038129274 174132010 /nfs/dbraw/zinc/13/20/10/174132010.db2.gz DKAXSGPPFNMIHV-CQSZACIVSA-N 1 0 267.706 3.861 10 0 CHAERO C[C@@H]1CCC[C@H](OC[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000040177341 174202283 /nfs/dbraw/zinc/20/22/83/174202283.db2.gz ZUHOOTSORCNMMI-SUNKGSAMSA-N 1 0 269.335 3.560 10 0 CHAERO CC[NH+](CC)CCn1c2cc(Cl)ccc2nc1C1CC1 ZINC000040405551 174254332 /nfs/dbraw/zinc/25/43/32/174254332.db2.gz GIZBAEJOQPRWHC-UHFFFAOYSA-N 1 0 291.826 3.909 10 0 CHAERO CCC[NH2+]Cc1csc(-c2ccccc2Cl)n1 ZINC000040419365 174257021 /nfs/dbraw/zinc/25/70/21/174257021.db2.gz AMSOUQJLPLGCAS-UHFFFAOYSA-N 1 0 266.797 3.963 10 0 CHAERO [NH3+]C[C@@H](c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000041327952 174524531 /nfs/dbraw/zinc/52/45/31/174524531.db2.gz WTNIQRHHVQZDDO-CYBMUJFWSA-N 1 0 257.299 3.938 10 0 CHAERO C[C@H]([NH3+])c1cccc(Cl)c1OCc1ccccc1 ZINC000041352805 174531025 /nfs/dbraw/zinc/53/10/25/174531025.db2.gz HUFHKXXGNURIAF-NSHDSACASA-N 1 0 261.752 3.939 10 0 CHAERO Cc1ccc(C)c(C[C@@H](C[NH3+])Cc2ccccc2F)c1 ZINC000041404727 174547010 /nfs/dbraw/zinc/54/70/10/174547010.db2.gz YINZAFKHRJICPY-HNNXBMFYSA-N 1 0 271.379 3.803 10 0 CHAERO Brc1ccccc1OCC[NH2+]CC1CCCC1 ZINC000041499831 174562542 /nfs/dbraw/zinc/56/25/42/174562542.db2.gz XUDHQRSFTCFAQO-UHFFFAOYSA-N 1 0 298.224 3.608 10 0 CHAERO C[NH2+][C@H]1CCCC[C@H]1Cc1ccc(Br)cc1 ZINC000042402523 174710298 /nfs/dbraw/zinc/71/02/98/174710298.db2.gz SEFAHSZPOZCPCU-JSGCOSHPSA-N 1 0 282.225 3.770 10 0 CHAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000042553960 174791374 /nfs/dbraw/zinc/79/13/74/174791374.db2.gz QEUNEPLHYZGPKP-WOPDTQHZSA-N 1 0 253.361 3.920 10 0 CHAERO CC(C)C[C@H](C)N(C)c1cc(Br)ccc1C[NH3+] ZINC000042588329 174810334 /nfs/dbraw/zinc/81/03/34/174810334.db2.gz MMAHFRGXLDXWNH-NSHDSACASA-N 1 0 299.256 3.779 10 0 CHAERO C[NH2+][C@@H](C)c1ccccc1N(CC(F)(F)F)C(C)C ZINC000042769864 174870825 /nfs/dbraw/zinc/87/08/25/174870825.db2.gz NMSCVRCFUIIYQX-NSHDSACASA-N 1 0 274.330 3.744 10 0 CHAERO [NH3+]C[C@@H](Sc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000042943704 174919453 /nfs/dbraw/zinc/91/94/53/174919453.db2.gz NDZAUYFBMJYNPG-CQSZACIVSA-N 1 0 283.318 3.896 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](SC(C)C)c1ccc(OC)cc1 ZINC000042965167 174928623 /nfs/dbraw/zinc/92/86/23/174928623.db2.gz RCYGVXKRVUKTKH-KGLIPLIRSA-N 1 0 253.411 3.615 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccn1)c1cccc(F)c1 ZINC000042974470 174937588 /nfs/dbraw/zinc/93/75/88/174937588.db2.gz DKXABFHJYNXTGH-HIFRSBDPSA-N 1 0 276.380 3.791 10 0 CHAERO CC[C@H](N)[C@H](c1cccc(Cl)c1)[N@H+](C)C1CCCC1 ZINC000042975231 174939025 /nfs/dbraw/zinc/93/90/25/174939025.db2.gz SXDNWJAAMJZFSR-HOTGVXAUSA-N 1 0 280.843 3.993 10 0 CHAERO C[C@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000043017450 174943609 /nfs/dbraw/zinc/94/36/09/174943609.db2.gz XHXACQKGDWHZSZ-BONVTDFDSA-N 1 0 279.742 3.946 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccoc1C ZINC000043105428 174970125 /nfs/dbraw/zinc/97/01/25/174970125.db2.gz VZRWHEHHRQPMIO-HIFRSBDPSA-N 1 0 278.421 3.560 10 0 CHAERO CC(C)CC[C@@H]([NH3+])Cc1ccccc1Br ZINC000043374434 175029796 /nfs/dbraw/zinc/02/97/96/175029796.db2.gz MSMRWIWSXNYVOM-GFCCVEGCSA-N 1 0 270.214 3.755 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(O)c(Cl)c1)c1ccccc1 ZINC000043476617 175054490 /nfs/dbraw/zinc/05/44/90/175054490.db2.gz XMLMLWBRPZGDKC-NSHDSACASA-N 1 0 261.752 3.896 10 0 CHAERO CC[NH2+][C@@H](C)[C@H](C)Cc1cc(Br)cs1 ZINC000043688065 175095000 /nfs/dbraw/zinc/09/50/00/175095000.db2.gz VHFOVTBYZLNDGE-BDAKNGLRSA-N 1 0 276.243 3.687 10 0 CHAERO CC[NH2+][C@H]1CCC[C@@H]1Cc1cc(Br)cs1 ZINC000043688106 175096000 /nfs/dbraw/zinc/09/60/00/175096000.db2.gz OTXXTEPSFLWVTF-SKDRFNHKSA-N 1 0 288.254 3.831 10 0 CHAERO CCCOc1ccc([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121848 175143335 /nfs/dbraw/zinc/14/33/35/175143335.db2.gz NEEWLURPUDEZLZ-DAYGRLMNSA-N 1 0 291.435 3.772 10 0 CHAERO CCCc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000044129027 175144953 /nfs/dbraw/zinc/14/49/53/175144953.db2.gz WDRHOLZWYPLRKZ-ZWKOTPCHSA-N 1 0 275.436 3.937 10 0 CHAERO CCCCN(CCCC)c1ccc(C[C@H](C)[NH3+])cc1 ZINC000044461534 175177639 /nfs/dbraw/zinc/17/76/39/175177639.db2.gz IJWXITLYBIYDII-HNNXBMFYSA-N 1 0 262.441 3.983 10 0 CHAERO C[C@@H]([NH3+])Cc1ccccc1Oc1ccc(F)cc1F ZINC000044461954 175177671 /nfs/dbraw/zinc/17/76/71/175177671.db2.gz FDTHJJQUFFDKTM-SNVBAGLBSA-N 1 0 263.287 3.647 10 0 CHAERO CCCn1cc(C[NH2+]Cc2ccco2)c2ccccc21 ZINC000045945248 175387933 /nfs/dbraw/zinc/38/79/33/175387933.db2.gz SBZYOZKCVXFVTL-UHFFFAOYSA-N 1 0 268.360 3.934 10 0 CHAERO Cc1cccc(C[C@H]([NH3+])c2cc3ccccc3o2)c1 ZINC000052127157 175532676 /nfs/dbraw/zinc/53/26/76/175532676.db2.gz JQWFGXXJUJUAML-HNNXBMFYSA-N 1 0 251.329 3.984 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@@H](CC)Oc1cc(F)ccc1F ZINC000071167418 176049601 /nfs/dbraw/zinc/04/96/01/176049601.db2.gz CLTJLOCUUJOILF-UONOGXRCSA-N 1 0 271.351 3.900 10 0 CHAERO COc1ccccc1SCc1ccc(F)cc1C[NH3+] ZINC000071264535 176098125 /nfs/dbraw/zinc/09/81/25/176098125.db2.gz TXBLKHCYRZVVLC-UHFFFAOYSA-N 1 0 277.364 3.585 10 0 CHAERO COc1cccc(SCc2ccc(F)cc2C[NH3+])c1 ZINC000071264487 176098171 /nfs/dbraw/zinc/09/81/71/176098171.db2.gz HKGNRIMSNNUEPZ-UHFFFAOYSA-N 1 0 277.364 3.585 10 0 CHAERO CC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000071301644 176114073 /nfs/dbraw/zinc/11/40/73/176114073.db2.gz BHAJPTNHPWKFQI-ZIAGYGMSSA-N 1 0 288.218 3.805 10 0 CHAERO CC[C@@H]1CN(Cc2ccc(C)c(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000071343715 176130937 /nfs/dbraw/zinc/13/09/37/176130937.db2.gz ZJBGSLZSUNNRQN-MSOLQXFVSA-N 1 0 274.452 3.512 10 0 CHAERO CN(CC[NH2+]C1CCCCCCC1)C1CCCC1 ZINC000071376606 176141041 /nfs/dbraw/zinc/14/10/41/176141041.db2.gz JPVVYWZQOQBENF-UHFFFAOYSA-N 1 0 252.446 3.563 10 0 CHAERO CCCCc1ccc([C@H](C)OC2CC[NH2+]CC2)cc1 ZINC000071587915 176215512 /nfs/dbraw/zinc/21/55/12/176215512.db2.gz IXZXGFRHCAYSSL-AWEZNQCLSA-N 1 0 261.409 3.859 10 0 CHAERO COc1ccc(C(C)C)cc1C(C)(C)C[NH2+]C1CC1 ZINC000071587883 176215640 /nfs/dbraw/zinc/21/56/40/176215640.db2.gz YZJMURPQMHUWSA-UHFFFAOYSA-N 1 0 261.409 3.848 10 0 CHAERO C[C@](O)(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000071631853 176236680 /nfs/dbraw/zinc/23/66/80/176236680.db2.gz VIAWOZKCIGQCEN-OALUTQOASA-N 1 0 281.399 3.561 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2c1ccccc1F ZINC000071633473 176237886 /nfs/dbraw/zinc/23/78/86/176237886.db2.gz SFKACDOIKTXNDI-QGZVFWFLSA-N 1 0 283.346 3.559 10 0 CHAERO C[C@H](CC[NH3+])COc1ccc(-c2ccccc2)cc1 ZINC000076660584 177048502 /nfs/dbraw/zinc/04/85/02/177048502.db2.gz QGTZEUSONZSDRH-CQSZACIVSA-N 1 0 255.361 3.717 10 0 CHAERO CC(C)(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000076673848 177055327 /nfs/dbraw/zinc/05/53/27/177055327.db2.gz ZOAKERNHYTZWFI-ZETCQYMHSA-N 1 0 262.216 3.599 10 0 CHAERO [NH3+]CC[C@@H](CCc1cccc(F)c1)c1cccs1 ZINC000076678402 177057150 /nfs/dbraw/zinc/05/71/50/177057150.db2.gz KKEZQANTVGJEOC-CYBMUJFWSA-N 1 0 263.381 3.952 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccco1)c1ccc(Cl)cc1 ZINC000076679262 177057444 /nfs/dbraw/zinc/05/74/44/177057444.db2.gz QJEQABQUKXSIFT-CYBMUJFWSA-N 1 0 263.768 3.998 10 0 CHAERO [NH3+]CC[C@H](CCc1ccccc1Cl)c1cccnc1 ZINC000076722121 177069821 /nfs/dbraw/zinc/06/98/21/177069821.db2.gz IPZHVFRQRKBUFJ-ZDUSSCGKSA-N 1 0 274.795 3.800 10 0 CHAERO CC[NH2+][C@H](C)c1csc(N(C)c2ccccc2)n1 ZINC000076786982 177093830 /nfs/dbraw/zinc/09/38/30/177093830.db2.gz XFSQPODQDBNFEE-LLVKDONJSA-N 1 0 261.394 3.582 10 0 CHAERO CCCOc1ccc([C@H]([NH3+])c2cc(C)oc2C)cc1 ZINC000077072349 177188507 /nfs/dbraw/zinc/18/85/07/177188507.db2.gz UZAGAGNTDYWUAJ-INIZCTEOSA-N 1 0 259.349 3.733 10 0 CHAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC000114201743 228112981 /nfs/dbraw/zinc/11/29/81/228112981.db2.gz APXBUWWJOBXRSV-QGZVFWFLSA-N 1 0 269.392 3.570 10 0 CHAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179621855 260058250 /nfs/dbraw/zinc/05/82/50/260058250.db2.gz IGHJJOQPBACDNG-GBXSZLQWSA-N 1 0 299.336 3.983 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1ncc[nH]1 ZINC000221158952 260133334 /nfs/dbraw/zinc/13/33/34/260133334.db2.gz XGFLTZABWVQGBE-LALPHHSUSA-N 1 0 255.365 3.699 10 0 CHAERO Cc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1C ZINC000070070338 260151349 /nfs/dbraw/zinc/15/13/49/260151349.db2.gz ONWALQLADKNCPS-INIZCTEOSA-N 1 0 253.345 3.527 10 0 CHAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312600400 260173032 /nfs/dbraw/zinc/17/30/32/260173032.db2.gz KRMCYHKYFKNQFQ-SCZZXKLOSA-N 1 0 294.247 3.696 10 0 CHAERO COCc1ccccc1C[NH2+]CC1CCC(C)CC1 ZINC000088557351 260233340 /nfs/dbraw/zinc/23/33/40/260233340.db2.gz MXZYSYKDXDPIGX-UHFFFAOYSA-N 1 0 261.409 3.749 10 0 CHAERO COc1ccc(CC[NH2+]CC2CCC(C)CC2)cc1OC ZINC000089575453 260237747 /nfs/dbraw/zinc/23/77/47/260237747.db2.gz ZROQQLLMLSPMPA-UHFFFAOYSA-N 1 0 291.435 3.662 10 0 CHAERO CCCn1ccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000091010003 260264801 /nfs/dbraw/zinc/26/48/01/260264801.db2.gz IMTMOQLLGPRBMV-HNNXBMFYSA-N 1 0 258.365 3.658 10 0 CHAERO CCCn1ccc(CNc2ccc(C[NH+](C)C)cc2)c1 ZINC000091012019 260264821 /nfs/dbraw/zinc/26/48/21/260264821.db2.gz GHHROXSSKGAAFI-UHFFFAOYSA-N 1 0 271.408 3.572 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)c2cccc(OC)c2)c1 ZINC000091012332 260264844 /nfs/dbraw/zinc/26/48/44/260264844.db2.gz PMOOGRDTPQYJQZ-CQSZACIVSA-N 1 0 272.392 3.758 10 0 CHAERO CCn1cccc1C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000091024550 260265059 /nfs/dbraw/zinc/26/50/59/260265059.db2.gz XWVAXHZSZXJNJN-GFCCVEGCSA-N 1 0 276.355 3.507 10 0 CHAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)c2ccccc21 ZINC000211732454 260268506 /nfs/dbraw/zinc/26/85/06/260268506.db2.gz UAPSWNYPRBXPCP-JKIFEVAISA-N 1 0 259.393 3.641 10 0 CHAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000223847093 260378849 /nfs/dbraw/zinc/37/88/49/260378849.db2.gz VRSLRAQHTQFWSX-UXLLHSPISA-N 1 0 261.409 3.505 10 0 CHAERO CCn1cc(C2CC[NH+](Cc3ccc(C)s3)CC2)cn1 ZINC000092809187 260503044 /nfs/dbraw/zinc/50/30/44/260503044.db2.gz VEUSOYBCFOCSSF-UHFFFAOYSA-N 1 0 289.448 3.653 10 0 CHAERO C[C@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)C1CCCCC1 ZINC000052334013 261084287 /nfs/dbraw/zinc/08/42/87/261084287.db2.gz LJEAPAIYZSOJNH-XJKSGUPXSA-N 1 0 286.419 3.653 10 0 CHAERO CSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000173433718 261163938 /nfs/dbraw/zinc/16/39/38/261163938.db2.gz OWRYDOSBRYGNFE-JGGQBBKZSA-N 1 0 279.449 3.610 10 0 CHAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000300136058 261176378 /nfs/dbraw/zinc/17/63/78/261176378.db2.gz JOYKYHVZAFQMIW-SNPRPXQTSA-N 1 0 259.393 3.925 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc(Cl)c1 ZINC000300405799 261198367 /nfs/dbraw/zinc/19/83/67/261198367.db2.gz YJIGCPOZPJFVPR-BPUTZDHNSA-N 1 0 281.827 3.932 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)c2ccccc21 ZINC000300413234 261199240 /nfs/dbraw/zinc/19/92/40/261199240.db2.gz ZKJKIRXRGSASJJ-NONVJHHQSA-N 1 0 273.420 3.766 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000300415769 261199502 /nfs/dbraw/zinc/19/95/02/261199502.db2.gz YWUNTXVGAQDZGF-UNEWFSDZSA-N 1 0 269.392 3.712 10 0 CHAERO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000162419287 261281402 /nfs/dbraw/zinc/28/14/02/261281402.db2.gz VZPNAUWUZWVFCC-KDOFPFPSSA-N 1 0 284.403 3.560 10 0 CHAERO CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000178165348 261377510 /nfs/dbraw/zinc/37/75/10/261377510.db2.gz NIPJYZYUEOHCDT-ZIAGYGMSSA-N 1 0 255.446 3.590 10 0 CHAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000184257683 262013824 /nfs/dbraw/zinc/01/38/24/262013824.db2.gz HFFRJPXIILXTMM-XJKSGUPXSA-N 1 0 268.360 3.564 10 0 CHAERO CC(C)C1CC([NH2+][C@@H](C)COCc2ccccc2)C1 ZINC000390596410 262224259 /nfs/dbraw/zinc/22/42/59/262224259.db2.gz TUSWLGJFRHTYBO-OOHWJJMZSA-N 1 0 261.409 3.616 10 0 CHAERO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1cccc(F)c1 ZINC000221689654 262290763 /nfs/dbraw/zinc/29/07/63/262290763.db2.gz LWWUIQVUEFBFQO-GHMZBOCLSA-N 1 0 262.303 3.772 10 0 CHAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)CCS2 ZINC000186995073 262334091 /nfs/dbraw/zinc/33/40/91/262334091.db2.gz HAIXMMKOUORHEU-IMJJTQAJSA-N 1 0 291.460 3.997 10 0 CHAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c(Cl)cccc3Cl)C[C@H]21 ZINC000228471926 262338892 /nfs/dbraw/zinc/33/88/92/262338892.db2.gz FNWJDQXTFDMRIB-FIXISWKDSA-N 1 0 299.245 3.553 10 0 CHAERO Cc1cnn(CC[NH2+][C@H](c2ccc(C)cc2)C2CCC2)c1 ZINC000187313879 262399732 /nfs/dbraw/zinc/39/97/32/262399732.db2.gz OQBCSWRYLYKIPA-SFHVURJKSA-N 1 0 283.419 3.631 10 0 CHAERO CC(C)OC1CC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000189516509 264303633 /nfs/dbraw/zinc/30/36/33/264303633.db2.gz OWAIIDWUPKWNQM-IALDZJHCSA-N 1 0 279.346 3.653 10 0 CHAERO Cc1ccccc1OCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482379 266296905 /nfs/dbraw/zinc/29/69/05/266296905.db2.gz LPLSYYDGGWNOKN-QGZVFWFLSA-N 1 0 299.418 3.714 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2C)cc1C ZINC000228659297 267113105 /nfs/dbraw/zinc/11/31/05/267113105.db2.gz YHNRTUBKFQTAKO-HNNXBMFYSA-N 1 0 254.377 3.858 10 0 CHAERO CCOc1ccccc1OCC[NH2+][C@@H](C)c1cccs1 ZINC000053565172 327718314 /nfs/dbraw/zinc/71/83/14/327718314.db2.gz YEWOFIHRSFNIRQ-ZDUSSCGKSA-N 1 0 291.416 3.876 10 0 CHAERO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC000040462418 327907384 /nfs/dbraw/zinc/90/73/84/327907384.db2.gz VNYPBFNGIIVRPV-IUODEOHRSA-N 1 0 290.451 3.535 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)C(C)C ZINC000040490995 327907671 /nfs/dbraw/zinc/90/76/71/327907671.db2.gz MXRMMKBSAOYOEM-JSGCOSHPSA-N 1 0 265.397 3.789 10 0 CHAERO CCCCCc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000040810192 328019315 /nfs/dbraw/zinc/01/93/15/328019315.db2.gz FRNRYNQHYUVPFY-UHFFFAOYSA-N 1 0 288.435 3.748 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ccccc31)CC2 ZINC000092835530 327104030 /nfs/dbraw/zinc/10/40/30/327104030.db2.gz XTWSKYZFEYFMAF-RBUKOAKNSA-N 1 0 279.383 3.960 10 0 CHAERO CCCn1ccc(C[NH2+]CCc2ccccc2C)c1 ZINC000094183056 327146740 /nfs/dbraw/zinc/14/67/40/327146740.db2.gz DGKAZBYFPPNMAS-UHFFFAOYSA-N 1 0 256.393 3.539 10 0 CHAERO CCCn1ccc(C[NH2+]CCCc2ccccc2)c1 ZINC000091009555 327165142 /nfs/dbraw/zinc/16/51/42/327165142.db2.gz MUHGBRXFZGUBBT-UHFFFAOYSA-N 1 0 256.393 3.621 10 0 CHAERO C(=C/[C@@H]1CCC[N@H+]1CCCn1ccnc1)\c1cccs1 ZINC000375179871 329001607 /nfs/dbraw/zinc/00/16/07/329001607.db2.gz YQXZBPDMABRMBR-LFAOLKIESA-N 1 0 287.432 3.513 10 0 CHAERO C=Cn1cc(C[N@@H+](C)[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000193687768 329061024 /nfs/dbraw/zinc/06/10/24/329061024.db2.gz IDCBMODKZCEJMN-LBPRGKRZSA-N 1 0 275.783 3.830 10 0 CHAERO C[C@H](CC[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000193912813 329063693 /nfs/dbraw/zinc/06/36/93/329063693.db2.gz QWNLTSJUHNGSLK-QGZVFWFLSA-N 1 0 297.446 3.789 10 0 CHAERO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000172029961 329083379 /nfs/dbraw/zinc/08/33/79/329083379.db2.gz KPTKCZQSTQZYKT-KRWDZBQOSA-N 1 0 293.370 3.868 10 0 CHAERO C([NH2+]C1(c2noc(C3CC3)n2)CCCC1)C1CCCCC1 ZINC000174248453 329155851 /nfs/dbraw/zinc/15/58/51/329155851.db2.gz RUPTWGVDVGUHAZ-UHFFFAOYSA-N 1 0 289.423 3.886 10 0 CHAERO Cc1nc(C)c(CC[NH2+][C@H](C)c2sc(C)nc2C)s1 ZINC000178024910 329191779 /nfs/dbraw/zinc/19/17/79/329191779.db2.gz FOEMVWNELJSFDL-SECBINFHSA-N 1 0 295.477 3.727 10 0 CHAERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(C)ccc1OC ZINC000179434384 329208418 /nfs/dbraw/zinc/20/84/18/329208418.db2.gz VJQDIOTWMBHFHB-XIRDDKMYSA-N 1 0 291.435 3.595 10 0 CHAERO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cn2ccccc2n1 ZINC000179916264 329213520 /nfs/dbraw/zinc/21/35/20/329213520.db2.gz YZYCPTBMVSEQSP-KRWDZBQOSA-N 1 0 295.361 3.641 10 0 CHAERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccsc1 ZINC000180399959 329215717 /nfs/dbraw/zinc/21/57/17/329215717.db2.gz NJPAYMFBPMUEDG-RISCZKNCSA-N 1 0 286.400 3.525 10 0 CHAERO CC[C@H](Nc1cccc(-c2cnco2)c1)c1nccn1C ZINC000182833424 329244690 /nfs/dbraw/zinc/24/46/90/329244690.db2.gz UPLBLNAERBIGQU-AWEZNQCLSA-N 1 0 282.347 3.638 10 0 CHAERO CC1CCC([NH2+]Cc2ncc(-c3ccccc3)cn2)CC1 ZINC000185872996 329334040 /nfs/dbraw/zinc/33/40/40/329334040.db2.gz YSDXMQPQJHIGDN-UHFFFAOYSA-N 1 0 281.403 3.812 10 0 CHAERO CC(C)COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038095862 329364327 /nfs/dbraw/zinc/36/43/27/329364327.db2.gz FWTXYURVMQPJCD-NVXWUHKLSA-N 1 0 291.435 3.941 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000300414619 329364951 /nfs/dbraw/zinc/36/49/51/329364951.db2.gz NHEJTJQMUQHPRQ-QKCSRTOESA-N 1 0 251.345 3.674 10 0 CHAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl ZINC000063191644 329373706 /nfs/dbraw/zinc/37/37/06/329373706.db2.gz UHYFEOSQANFZOV-IINYFYTJSA-N 1 0 287.234 3.695 10 0 CHAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000191649609 329416291 /nfs/dbraw/zinc/41/62/91/329416291.db2.gz RQDWYLPIKIMVJF-SQWLQELKSA-N 1 0 289.419 3.836 10 0 CHAERO C[C@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000041162292 329561671 /nfs/dbraw/zinc/56/16/71/329561671.db2.gz FXPIUJKXBJSLTP-RXOVYUGGSA-N 1 0 262.422 3.631 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1cnccn1 ZINC000246380785 329844079 /nfs/dbraw/zinc/84/40/79/329844079.db2.gz KARNDZXEYLYPLS-XJKCOSOUSA-N 1 0 267.376 3.766 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc2ccccc2n1 ZINC000247019564 329874500 /nfs/dbraw/zinc/87/45/00/329874500.db2.gz KSTHWBPKTLLVFD-LZBRWLDZSA-N 1 0 296.414 3.843 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(OC)cc1 ZINC000247036746 329874805 /nfs/dbraw/zinc/87/48/05/329874805.db2.gz LMTXGCPNSTVIAP-XDNAFOTISA-N 1 0 289.419 3.694 10 0 CHAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000247158803 329876874 /nfs/dbraw/zinc/87/68/74/329876874.db2.gz XPFMMUZGBLMTDA-JIMOISOXSA-N 1 0 255.308 3.737 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000248180807 329888240 /nfs/dbraw/zinc/88/82/40/329888240.db2.gz WJJMGAPBTVKRCJ-KCPJHIHWSA-N 1 0 295.423 3.503 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248859549 329900898 /nfs/dbraw/zinc/90/08/98/329900898.db2.gz PPGZXZIHVKJOIN-YNZJMPHRSA-N 1 0 281.346 3.573 10 0 CHAERO CO[C@@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000249024499 329903768 /nfs/dbraw/zinc/90/37/68/329903768.db2.gz KRLHSJABCCYNOE-GUTXKFCHSA-N 1 0 293.382 3.585 10 0 CHAERO Cc1ccc(C(C)(C)Cc2nc(C3([NH3+])CCCC3)no2)cc1 ZINC000261886854 329988096 /nfs/dbraw/zinc/98/80/96/329988096.db2.gz WYJUXTUVGQWWRW-UHFFFAOYSA-N 1 0 299.418 3.626 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)c1C ZINC000396932820 330231612 /nfs/dbraw/zinc/23/16/12/330231612.db2.gz BDYHDJNAVFTKCA-VHSXEESVSA-N 1 0 291.361 3.759 10 0 CHAERO c1coc(CC[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000035661592 330248810 /nfs/dbraw/zinc/24/88/10/330248810.db2.gz RPPADBCWDSOWFI-KRWDZBQOSA-N 1 0 267.328 3.794 10 0 CHAERO CC(C)n1cncc1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000424157025 330304525 /nfs/dbraw/zinc/30/45/25/330304525.db2.gz QHSRSEMEUSDDNG-INIZCTEOSA-N 1 0 299.418 3.856 10 0 CHAERO Cc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)no1 ZINC000044295858 330327305 /nfs/dbraw/zinc/32/73/05/330327305.db2.gz YXHVZLLZXOKJOV-ORVZXPRGSA-N 1 0 274.408 3.678 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000045094450 330338542 /nfs/dbraw/zinc/33/85/42/330338542.db2.gz FLXPZJAMKZECTG-CVEARBPZSA-N 1 0 277.456 3.858 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2C)c1C ZINC000045172625 330340568 /nfs/dbraw/zinc/34/05/68/330340568.db2.gz YIKNVKHTEIBWJH-XEZPLFJOSA-N 1 0 277.456 3.997 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)c2ccccc2)c1C ZINC000045168423 330340595 /nfs/dbraw/zinc/34/05/95/330340595.db2.gz NJECJPGNXLFYAN-KGLIPLIRSA-N 1 0 285.435 3.974 10 0 CHAERO CC[NH+](CC)C[C@@H](C)N[C@H](c1ccco1)c1ccccc1 ZINC000045690620 330348572 /nfs/dbraw/zinc/34/85/72/330348572.db2.gz VDALNEWANOHHNH-QAPCUYQASA-N 1 0 286.419 3.689 10 0 CHAERO COCC[C@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000081707044 330352107 /nfs/dbraw/zinc/35/21/07/330352107.db2.gz DUBQZMZBKDMVCK-ZOODHJKOSA-N 1 0 267.800 3.601 10 0 CHAERO CC[C@H](C)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000119652562 330378255 /nfs/dbraw/zinc/37/82/55/330378255.db2.gz UNAYREVXZWTENK-STQMWFEESA-N 1 0 296.480 3.860 10 0 CHAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000536955209 330383020 /nfs/dbraw/zinc/38/30/20/330383020.db2.gz VMSWGUDTNSJXGD-DGCLKSJQSA-N 1 0 268.198 3.552 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1c(Cl)ccc(F)c1Cl ZINC000120345457 330387084 /nfs/dbraw/zinc/38/70/84/330387084.db2.gz UPQAGJCVDVQEHG-RNSXUZJQSA-N 1 0 292.181 3.961 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(F)cc1Br ZINC000120447332 330387972 /nfs/dbraw/zinc/38/79/72/330387972.db2.gz YRZMRBRGXKTYJK-RGNHYFCHSA-N 1 0 272.161 3.647 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(F)cc1Br ZINC000120447167 330387979 /nfs/dbraw/zinc/38/79/79/330387979.db2.gz YRZMRBRGXKTYJK-UBJUHAIHSA-N 1 0 272.161 3.647 10 0 CHAERO Fc1ccccc1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000121381182 330399677 /nfs/dbraw/zinc/39/96/77/330399677.db2.gz WQQUHFNKAPLUTE-OAHLLOKOSA-N 1 0 259.324 3.798 10 0 CHAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000165231585 331306019 /nfs/dbraw/zinc/30/60/19/331306019.db2.gz MKQFDXIYMHYDQE-AWEZNQCLSA-N 1 0 290.451 3.752 10 0 CHAERO C[C@@H]1CCC[C@H](C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000466409351 331395145 /nfs/dbraw/zinc/39/51/45/331395145.db2.gz LCKQPGBBEKDBNA-QPSCCSFWSA-N 1 0 253.430 3.606 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000466408049 331395516 /nfs/dbraw/zinc/39/55/16/331395516.db2.gz FAZRHPUICMXSJN-DABQJJPHSA-N 1 0 267.800 3.633 10 0 CHAERO Cc1cc(C)cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000466423939 331396548 /nfs/dbraw/zinc/39/65/48/331396548.db2.gz BTTPBRNEDIOOQU-HUUCEWRRSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000466426065 331396576 /nfs/dbraw/zinc/39/65/76/331396576.db2.gz RIYMEFUQSPPNFP-VXGBXAGGSA-N 1 0 267.800 3.633 10 0 CHAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000467438266 331419357 /nfs/dbraw/zinc/41/93/57/331419357.db2.gz ZUTSXTBAVUGPST-MCIONIFRSA-N 1 0 253.430 3.748 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)C[C@@H](C)O1 ZINC000467445161 331419669 /nfs/dbraw/zinc/41/96/69/331419669.db2.gz JXSDHLJVXZWMIM-IXYNUQLISA-N 1 0 267.457 3.994 10 0 CHAERO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309812854 333049968 /nfs/dbraw/zinc/04/99/68/333049968.db2.gz XBDQHBHLTUUSJG-JCHJZTRSSA-N 1 0 286.463 3.533 10 0 CHAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)COCc2ccccc2)c1 ZINC000184371144 333127522 /nfs/dbraw/zinc/12/75/22/333127522.db2.gz JWOVDHVAUZBFOI-JKSUJKDBSA-N 1 0 284.403 3.646 10 0 CHAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000219030662 333140344 /nfs/dbraw/zinc/14/03/44/333140344.db2.gz BQUVCLLOOQAMHY-FZMZJTMJSA-N 1 0 288.218 3.634 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]C2CC(c3ccccc3F)C2)o1 ZINC000220938438 333171084 /nfs/dbraw/zinc/17/10/84/333171084.db2.gz BLIQZYFXDNCUCR-PNESKVBLSA-N 1 0 274.339 3.719 10 0 CHAERO Cc1ccc([C@H]2CCCC[N@@H+]2CC[C@@H]2CCCO2)o1 ZINC000189391156 333191809 /nfs/dbraw/zinc/19/18/09/333191809.db2.gz BQQRWSOHTOEYJE-LSDHHAIUSA-N 1 0 263.381 3.684 10 0 CHAERO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C(C)C)n1C ZINC000191878298 333226831 /nfs/dbraw/zinc/22/68/31/333226831.db2.gz BATVMKIJBNNTQH-LSDHHAIUSA-N 1 0 292.471 3.633 10 0 CHAERO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000226240411 333254829 /nfs/dbraw/zinc/25/48/29/333254829.db2.gz LDJMBUWDLDDTCF-CHWSQXEVSA-N 1 0 289.345 3.675 10 0 CHAERO CCC[C@H]1C[C@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000226612512 333265991 /nfs/dbraw/zinc/26/59/91/333265991.db2.gz OADHTBIULGDSGB-VXGQWTEUSA-N 1 0 296.455 3.601 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2C)c1C ZINC000250461710 333305518 /nfs/dbraw/zinc/30/55/18/333305518.db2.gz YIKNVKHTEIBWJH-DVOMOZLQSA-N 1 0 277.456 3.997 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2C)c1C ZINC000250461714 333305519 /nfs/dbraw/zinc/30/55/19/333305519.db2.gz YIKNVKHTEIBWJH-WWGRRREGSA-N 1 0 277.456 3.997 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC2CCCC2)cc1F ZINC000232133317 333334443 /nfs/dbraw/zinc/33/44/43/333334443.db2.gz VWBXNVQZVLBGCH-CZUORRHYSA-N 1 0 279.399 3.726 10 0 CHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000233409706 333352202 /nfs/dbraw/zinc/35/22/02/333352202.db2.gz KMUMOIVRAMEJEZ-JOYOIKCWSA-N 1 0 286.188 3.866 10 0 CHAERO Cc1cnc([C@H](C)Nc2cc[nH+]c3ccccc23)o1 ZINC000235520559 333370466 /nfs/dbraw/zinc/37/04/66/333370466.db2.gz DRKMIVTXKWZFTI-NSHDSACASA-N 1 0 253.305 3.704 10 0 CHAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1ccsc1 ZINC000397461426 333424923 /nfs/dbraw/zinc/42/49/23/333424923.db2.gz SMHWXLUMCDYDEA-UHFFFAOYSA-N 1 0 298.452 3.531 10 0 CHAERO Cc1nc([C@@H](C)[NH2+][C@H](C)COCc2ccccc2)cs1 ZINC000269468873 333605083 /nfs/dbraw/zinc/60/50/83/333605083.db2.gz ZSJXIECOZQULLO-CHWSQXEVSA-N 1 0 290.432 3.707 10 0 CHAERO CCSCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000129049799 333740416 /nfs/dbraw/zinc/74/04/16/333740416.db2.gz QAQOGMIZJFLFAW-JTQLQIEISA-N 1 0 288.254 3.853 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)c1cccc(Cl)c1Cl ZINC000129135499 333749506 /nfs/dbraw/zinc/74/95/06/333749506.db2.gz RDRBBFGWGDMJTJ-KWBADKCTSA-N 1 0 288.218 3.805 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)C1CCOCC1 ZINC000230213380 333812574 /nfs/dbraw/zinc/81/25/74/333812574.db2.gz PWNJEPVNLYOQHF-KBXCAEBGSA-N 1 0 273.420 3.859 10 0 CHAERO CC[C@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1CC ZINC000133567907 334045359 /nfs/dbraw/zinc/04/53/59/334045359.db2.gz DIXBAXVBPYTVEO-STQMWFEESA-N 1 0 259.397 3.753 10 0 CHAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000134241841 334085247 /nfs/dbraw/zinc/08/52/47/334085247.db2.gz GRIXOTAWTXMDAZ-ABAIWWIYSA-N 1 0 291.391 3.821 10 0 CHAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000135296395 334124147 /nfs/dbraw/zinc/12/41/47/334124147.db2.gz JCLCOYLSBFRMOL-ZQIUZPCESA-N 1 0 261.409 3.713 10 0 CHAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000136141631 334148010 /nfs/dbraw/zinc/14/80/10/334148010.db2.gz CBSLYEHTGGNMHY-KDOFPFPSSA-N 1 0 288.435 3.519 10 0 CHAERO CC[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)C(C)C ZINC000080509026 334172323 /nfs/dbraw/zinc/17/23/23/334172323.db2.gz ORGYYOYREONTIK-HNNXBMFYSA-N 1 0 261.409 3.924 10 0 CHAERO CCN1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000245224679 334185286 /nfs/dbraw/zinc/18/52/86/334185286.db2.gz BHIQOMAFMHLGKE-BHYGNILZSA-N 1 0 266.473 3.521 10 0 CHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H](C)c1ccccc1 ZINC000247249312 334278249 /nfs/dbraw/zinc/27/82/49/334278249.db2.gz XQMCNYUPZDKABI-KSSFIOAISA-N 1 0 297.446 3.978 10 0 CHAERO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247943395 334291953 /nfs/dbraw/zinc/29/19/53/334291953.db2.gz DFAHRAXQRWETII-IIYDPXPESA-N 1 0 295.373 3.653 10 0 CHAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247955716 334292179 /nfs/dbraw/zinc/29/21/79/334292179.db2.gz FNVHIFXCWJUPDF-IGCXYCKISA-N 1 0 295.373 3.653 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC000248072847 334294210 /nfs/dbraw/zinc/29/42/10/334294210.db2.gz MRHFDSNUDLUIML-UHOSZYNNSA-N 1 0 285.431 3.691 10 0 CHAERO Cc1csc([C@@H]2C[N@H+](C[C@H]3CCCC[C@@H]3C)CCO2)n1 ZINC000248508766 334304405 /nfs/dbraw/zinc/30/44/05/334304405.db2.gz YIWAOTUUDZWWFI-CFVMTHIKSA-N 1 0 294.464 3.651 10 0 CHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248646601 334310651 /nfs/dbraw/zinc/31/06/51/334310651.db2.gz RWFUUIZLWWWNJU-MWDXBVQZSA-N 1 0 297.483 3.765 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cc(Cl)cs1)CC2 ZINC000248655548 334311530 /nfs/dbraw/zinc/31/15/30/334311530.db2.gz BSTAPPBOXYAJLZ-FZMZJTMJSA-N 1 0 285.840 3.529 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248903999 334321607 /nfs/dbraw/zinc/32/16/07/334321607.db2.gz UQXNMWCZEBCKIA-JVNHZCFISA-N 1 0 279.468 3.994 10 0 CHAERO Cc1ccc([C@H]2CCCC[N@@H+]2CC[C@H]2CCCO2)o1 ZINC000248933780 334322483 /nfs/dbraw/zinc/32/24/83/334322483.db2.gz BQQRWSOHTOEYJE-HUUCEWRRSA-N 1 0 263.381 3.684 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000250561870 334346092 /nfs/dbraw/zinc/34/60/92/334346092.db2.gz JLOIUFMIGRGUDP-JCGIZDLHSA-N 1 0 291.435 3.676 10 0 CHAERO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)[nH]n1 ZINC000090532443 334362781 /nfs/dbraw/zinc/36/27/81/334362781.db2.gz VEDHCYBLLPYCDX-VBNZEHGJSA-N 1 0 277.456 3.844 10 0 CHAERO C[NH2+][C@@H]1CCCN([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000251545167 334363681 /nfs/dbraw/zinc/36/36/81/334363681.db2.gz PKKBRFMKNLASTE-ZYHUDNBSSA-N 1 0 287.234 3.738 10 0 CHAERO CCCCc1oc2ccccc2c1C[NH2+]CC1CC(O)C1 ZINC000091415818 334377940 /nfs/dbraw/zinc/37/79/40/334377940.db2.gz CGBBHJIUKLKECT-UHFFFAOYSA-N 1 0 287.403 3.636 10 0 CHAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000252425154 334379477 /nfs/dbraw/zinc/37/94/77/334379477.db2.gz LQULHHWYGSWOBJ-BMFZPTHFSA-N 1 0 286.419 3.653 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccc(C)cc1 ZINC000252844899 334396451 /nfs/dbraw/zinc/39/64/51/334396451.db2.gz BZJJUFITNOHGBK-YESZJQIVSA-N 1 0 261.409 3.729 10 0 CHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000152851294 334519651 /nfs/dbraw/zinc/51/96/51/334519651.db2.gz DESFNHZHPOCXIO-OBJOEFQTSA-N 1 0 299.361 3.815 10 0 CHAERO Cc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C)c1 ZINC000157320418 334766731 /nfs/dbraw/zinc/76/67/31/334766731.db2.gz YZPLEASRDZMTDC-HNNXBMFYSA-N 1 0 282.387 3.593 10 0 CHAERO C[C@@H](Nc1cccc(-c2nccs2)c1)[C@H]1CCC[NH2+]C1 ZINC000568605645 334832377 /nfs/dbraw/zinc/83/23/77/334832377.db2.gz BHKDYMBEXUFRHS-OCCSQVGLSA-N 1 0 287.432 3.610 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cc(C)cs2)c1C ZINC000344614171 335259530 /nfs/dbraw/zinc/25/95/30/335259530.db2.gz QINBQRCPTIOIFA-NSHDSACASA-N 1 0 277.437 3.741 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)CN(C)Cc1ccccc1)c1ccccc1 ZINC000381095402 336049845 /nfs/dbraw/zinc/04/98/45/336049845.db2.gz YCHPEDQVSZUFRS-DLBZAZTESA-N 1 0 282.431 3.858 10 0 CHAERO CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000581523785 336094504 /nfs/dbraw/zinc/09/45/04/336094504.db2.gz LQKXFMBNWUKDIC-ARFHVFGLSA-N 1 0 261.434 3.938 10 0 CHAERO CC(C)C[C@@H](C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000052968563 519211130 /nfs/dbraw/zinc/21/11/30/519211130.db2.gz BQAGKTUUHLSUCL-GFCCVEGCSA-N 1 0 267.363 3.922 10 0 CHAERO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062671513 519270249 /nfs/dbraw/zinc/27/02/49/519270249.db2.gz BXEJZZURRDLBAF-MRXNPFEDSA-N 1 0 280.843 3.550 10 0 CHAERO CC(C)CCO[C@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050493354 519673304 /nfs/dbraw/zinc/67/33/04/519673304.db2.gz JLFVGJJXSIXTFD-MRXNPFEDSA-N 1 0 267.388 3.928 10 0 CHAERO CC(C)[NH2+]CC1(Cc2ccc(Cl)s2)CCOCC1 ZINC000061674295 519720278 /nfs/dbraw/zinc/72/02/78/519720278.db2.gz MYHIRHHTSARXHB-UHFFFAOYSA-N 1 0 287.856 3.739 10 0 CHAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(F)c(Cl)c1 ZINC000054627817 519911092 /nfs/dbraw/zinc/91/10/92/519911092.db2.gz UMCCCCYZKKDDEZ-YOGCLGLASA-N 1 0 282.790 3.588 10 0 CHAERO CCC[NH2+]CC[C@@H](C)N(C)Cc1ccccc1Cl ZINC000052372027 519918755 /nfs/dbraw/zinc/91/87/55/519918755.db2.gz XLTXVSHVOGGNQP-CYBMUJFWSA-N 1 0 268.832 3.550 10 0 CHAERO CCC[NH2+]C[C@H](Cc1ccccc1OC)CC(C)C ZINC000052968227 519933421 /nfs/dbraw/zinc/93/34/21/519933421.db2.gz YZVMFOIVHMDCLH-HNNXBMFYSA-N 1 0 263.425 3.900 10 0 CHAERO CC[NH2+]C[C@H](OCc1cccs1)c1ccccc1 ZINC000052706548 519974149 /nfs/dbraw/zinc/97/41/49/519974149.db2.gz CJIIPXWLKMTSFI-HNNXBMFYSA-N 1 0 261.390 3.616 10 0 CHAERO CC[NH2+]Cc1coc(COc2cc(C)cc(C)c2)c1 ZINC000052666466 520018654 /nfs/dbraw/zinc/01/86/54/520018654.db2.gz MGMQSTHPRWHMEB-UHFFFAOYSA-N 1 0 259.349 3.585 10 0 CHAERO CC[NH2+]Cc1sc(N2CCCCC2)nc1C(C)(C)C ZINC000054995863 520032436 /nfs/dbraw/zinc/03/24/36/520032436.db2.gz DHYUAHAHAFZXMK-UHFFFAOYSA-N 1 0 281.469 3.540 10 0 CHAERO CCC[NH2+][C@@]1(c2nc(C(C)C)cs2)CCCSC1 ZINC000061590750 520059749 /nfs/dbraw/zinc/05/97/49/520059749.db2.gz FKQLOAGGPGGZRC-AWEZNQCLSA-N 1 0 284.494 3.988 10 0 CHAERO CC[NH2+][C@@H](CSC)c1ccccc1C(F)(F)F ZINC000055234120 520101646 /nfs/dbraw/zinc/10/16/46/520101646.db2.gz NUXUFVSRHGUGBX-NSHDSACASA-N 1 0 263.328 3.719 10 0 CHAERO CCNc1ccc(Cl)c(C[N@@H+]2CCC[C@H]2CC)n1 ZINC000061630519 520308810 /nfs/dbraw/zinc/30/88/10/520308810.db2.gz YYKCHCSMPKTNCU-LLVKDONJSA-N 1 0 267.804 3.541 10 0 CHAERO CCC(C)(C)[C@@H]1CCc2nc(CCC[NH3+])sc2C1 ZINC000054139503 521364391 /nfs/dbraw/zinc/36/43/91/521364391.db2.gz AZIRRQQPFKHXPA-LLVKDONJSA-N 1 0 266.454 3.576 10 0 CHAERO CCCN(c1nc(C)c([C@H](C)[NH2+]CC)s1)C1CC1 ZINC000054902803 521697930 /nfs/dbraw/zinc/69/79/30/521697930.db2.gz CBNZUXDBDVPBCA-JTQLQIEISA-N 1 0 267.442 3.501 10 0 CHAERO CC[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(CC(C)C)cc1 ZINC000054471216 521995977 /nfs/dbraw/zinc/99/59/77/521995977.db2.gz ZMFLFXGNPWANEZ-RHSMWYFYSA-N 1 0 263.425 3.554 10 0 CHAERO C[NH2+]C[C@H](Cc1ccsc1)Cc1cccc(C)c1 ZINC000052976336 522074429 /nfs/dbraw/zinc/07/44/29/522074429.db2.gz QELLNXWEFUOFPL-INIZCTEOSA-N 1 0 259.418 3.677 10 0 CHAERO C[C@@H]1CC(C[NH2+]C2CCC3(CCOCC3)CC2)C[C@@H](C)O1 ZINC000336349684 534149461 /nfs/dbraw/zinc/14/94/61/534149461.db2.gz HHSJWMACRHLCAA-HUUCEWRRSA-N 1 0 295.467 3.519 10 0 CHAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000087012264 517794319 /nfs/dbraw/zinc/79/43/19/517794319.db2.gz ROBASHUNJCVAJF-ISVAXAHUSA-N 1 0 294.197 3.944 10 0 CHAERO [NH3+]CCCCCCc1cccc(Br)c1 ZINC000041326368 518197299 /nfs/dbraw/zinc/19/72/99/518197299.db2.gz BSXJIJARPZSTDY-UHFFFAOYSA-N 1 0 256.187 3.511 10 0 CHAERO CC(C)(C)[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000051523010 518765845 /nfs/dbraw/zinc/76/58/45/518765845.db2.gz SGGWHQPLEVSDDJ-UHFFFAOYSA-N 1 0 262.397 3.681 10 0 CHAERO CC(C)(C)c1ccccc1OCc1cc(C[NH3+])co1 ZINC000052652054 519062560 /nfs/dbraw/zinc/06/25/60/519062560.db2.gz FUPZODXVMUCKCV-UHFFFAOYSA-N 1 0 259.349 3.615 10 0 CHAERO CC(C)C[C@@H](C[NH2+]C1CC1)Cc1cc(F)ccc1F ZINC000052968625 519211219 /nfs/dbraw/zinc/21/12/19/519211219.db2.gz LGMYLEHIUSEYKC-GFCCVEGCSA-N 1 0 267.363 3.922 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccc(F)cc1 ZINC000062707749 519272939 /nfs/dbraw/zinc/27/29/39/519272939.db2.gz VPDXOYSJPHZCNK-QZTJIDSGSA-N 1 0 292.442 3.670 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1Cc1ccccc1Cl ZINC000062671497 519274349 /nfs/dbraw/zinc/27/43/49/519274349.db2.gz OPRWHNRRPXDXFD-UKRRQHHQSA-N 1 0 280.843 3.548 10 0 CHAERO CC(C)C[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CCc1ccccc1 ZINC000062705168 519274482 /nfs/dbraw/zinc/27/44/82/519274482.db2.gz DEGZBUZTPRTAEV-MOPGFXCFSA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(Cl)cc1 ZINC000062671496 519274781 /nfs/dbraw/zinc/27/47/81/519274781.db2.gz SWEWGIZDSAMCLA-XJKSGUPXSA-N 1 0 280.843 3.548 10 0 CHAERO CC(C)C[C@H]1[NH2+]CCc2c(OC(F)F)cccc21 ZINC000052095733 519419863 /nfs/dbraw/zinc/41/98/63/519419863.db2.gz NNSUPVUKJOLZIS-GFCCVEGCSA-N 1 0 255.308 3.521 10 0 CHAERO CC(C)C1CCC([NH2+][C@H](C)CN2CCCCC2)CC1 ZINC000054555907 519568059 /nfs/dbraw/zinc/56/80/59/519568059.db2.gz UOQVEWGHTYBWMB-KLAILNCOSA-N 1 0 266.473 3.665 10 0 CHAERO CC(C)[NH2+]C[C@@H](C(C)C)N1CCc2sccc2[C@@H]1C ZINC000052505207 519722764 /nfs/dbraw/zinc/72/27/64/519722764.db2.gz XRGOVKGVCHJRKJ-ZFWWWQNUSA-N 1 0 280.481 3.690 10 0 CHAERO CC(C)C[NH2+]C[C@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC000052599819 519745979 /nfs/dbraw/zinc/74/59/79/519745979.db2.gz SEDUGJAIYBUMMG-NSHDSACASA-N 1 0 275.314 3.718 10 0 CHAERO CC(C)[C@@H]1CN(Cc2cccc(Cl)c2)[C@H](C(C)C)C[NH2+]1 ZINC000062708902 519804623 /nfs/dbraw/zinc/80/46/23/519804623.db2.gz SWNZTZRSZJEQEM-IRXDYDNUSA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@H](C[NH2+]C(C)(C)C)N(CC(F)(F)F)C(C)C ZINC000052485137 519815804 /nfs/dbraw/zinc/81/58/04/519815804.db2.gz VFTJBDHJJZATJD-LBPRGKRZSA-N 1 0 282.394 3.672 10 0 CHAERO CC(C)c1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c(C(C)C)c1 ZINC000163996160 519837619 /nfs/dbraw/zinc/83/76/19/519837619.db2.gz PHXXSUFFLPTCPY-ZDUSSCGKSA-N 1 0 288.435 3.727 10 0 CHAERO CCC1CCC([NH3+])(Cc2ccc(F)cc2F)CC1 ZINC000050885563 519853910 /nfs/dbraw/zinc/85/39/10/519853910.db2.gz XNZHJNOAAOMMLR-UHFFFAOYSA-N 1 0 253.336 3.805 10 0 CHAERO CCC1CC[NH+]([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024943 519859724 /nfs/dbraw/zinc/85/97/24/519859724.db2.gz ZTTRXUNLKZQEGL-OAHLLOKOSA-N 1 0 276.449 3.526 10 0 CHAERO CCCN1C[C@H](Cc2ccccc2)[NH2+]Cc2ccccc21 ZINC000062671275 519864634 /nfs/dbraw/zinc/86/46/34/519864634.db2.gz HRIJPYZELVROTP-SFHVURJKSA-N 1 0 280.415 3.618 10 0 CHAERO CC(C)c1[nH+]c2cc(N)ccc2n1CC1CCCC1 ZINC000052852612 519869530 /nfs/dbraw/zinc/86/95/30/519869530.db2.gz NYVIZIHBANPOKZ-UHFFFAOYSA-N 1 0 257.381 3.932 10 0 CHAERO CC[NH2+]C(C)(C)c1nc2c(cccc2F)n1C(C)C ZINC000061149844 519908856 /nfs/dbraw/zinc/90/88/56/519908856.db2.gz GFEHLTPQJSLFRK-UHFFFAOYSA-N 1 0 263.360 3.601 10 0 CHAERO CC[NH2+]C(C)(C)c1nc2cc(Cl)ccc2n1C1CC1 ZINC000061149822 519909259 /nfs/dbraw/zinc/90/92/59/519909259.db2.gz CKHMAEWGRBWPLR-UHFFFAOYSA-N 1 0 277.799 3.869 10 0 CHAERO CCC[NH2+]CC1(O[C@@H]2CCCC[C@@H]2C)CCCC1 ZINC000050491401 519910740 /nfs/dbraw/zinc/91/07/40/519910740.db2.gz QVLPTFVVBSYANG-LSDHHAIUSA-N 1 0 253.430 3.894 10 0 CHAERO CC[NH2+]CC1(O[C@H]2CCCC[C@@H]2CC)CCCC1 ZINC000050491768 519913962 /nfs/dbraw/zinc/91/39/62/519913962.db2.gz KFGRBISPBRXMCL-GJZGRUSLSA-N 1 0 253.430 3.894 10 0 CHAERO CC[NH2+]CCCc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000054670252 519920923 /nfs/dbraw/zinc/92/09/23/519920923.db2.gz CZPYWGMJSIQDEG-UHFFFAOYSA-N 1 0 298.217 3.721 10 0 CHAERO CCC[NH2+]C[C@@](C)(CC)CCCOCC(F)(F)F ZINC000054660917 519926521 /nfs/dbraw/zinc/92/65/21/519926521.db2.gz XXCBJXDJLQPRON-LBPRGKRZSA-N 1 0 269.351 3.761 10 0 CHAERO CC[NH2+]C[C@@H](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000052974899 519945976 /nfs/dbraw/zinc/94/59/76/519945976.db2.gz OUECHKGTANTIIR-OAHLLOKOSA-N 1 0 277.408 3.898 10 0 CHAERO CCC[NH2+]Cc1sc(C2CCCCC2)nc1C ZINC000052330476 519972958 /nfs/dbraw/zinc/97/29/58/519972958.db2.gz QOIOOBVXXAPZML-UHFFFAOYSA-N 1 0 252.427 3.999 10 0 CHAERO CC[NH2+]C[C@H](Cc1cccs1)Cc1ccccc1 ZINC000052952608 519973536 /nfs/dbraw/zinc/97/35/36/519973536.db2.gz KGEHVGLSPWPVCL-HNNXBMFYSA-N 1 0 259.418 3.759 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCCC[C@@H]2C)nc1CC ZINC000054995316 519975286 /nfs/dbraw/zinc/97/52/86/519975286.db2.gz DRUNTYPOROTJTQ-LBPRGKRZSA-N 1 0 281.469 3.584 10 0 CHAERO CCC[NH2+][C@@H](CC)c1nnc(-c2cccc(Cl)c2)o1 ZINC000061513165 519992918 /nfs/dbraw/zinc/99/29/18/519992918.db2.gz YRVMJCURAPMDGU-LBPRGKRZSA-N 1 0 279.771 3.841 10 0 CHAERO CCC[NH2+][C@@H](COC1CCC1)c1cc(C)ccc1C ZINC000050520301 520008909 /nfs/dbraw/zinc/00/89/09/520008909.db2.gz YMVUHUBHZVUGDE-KRWDZBQOSA-N 1 0 261.409 3.913 10 0 CHAERO CCC[NH2+][C@H](C)c1nc2cc(C)ccc2n1C(C)C ZINC000062366291 520066605 /nfs/dbraw/zinc/06/66/05/520066605.db2.gz IWCAUNUYRGHZJE-CYBMUJFWSA-N 1 0 259.397 3.986 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(-c2cc(F)cc(F)c2)o1 ZINC000052924147 520074517 /nfs/dbraw/zinc/07/45/17/520074517.db2.gz MKGRSBCYQJYINK-VIFPVBQESA-N 1 0 251.276 3.895 10 0 CHAERO CCCCCC[N@@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000062625627 520077359 /nfs/dbraw/zinc/07/73/59/520077359.db2.gz FUVYHBJXELWQFN-HNNXBMFYSA-N 1 0 254.462 3.665 10 0 CHAERO CCC[NH2+][C@H](c1ccccn1)c1cc(F)ccc1C ZINC000055223012 520090464 /nfs/dbraw/zinc/09/04/64/520090464.db2.gz ONPXEZNFDHCVTF-INIZCTEOSA-N 1 0 258.340 3.618 10 0 CHAERO CCC[NH2+][C@H]1CCCC[C@H]1CCOCC(F)(F)F ZINC000049311579 520091830 /nfs/dbraw/zinc/09/18/30/520091830.db2.gz OGBZUOGXNGOADJ-RYUDHWBXSA-N 1 0 267.335 3.514 10 0 CHAERO CCC[NH2+][C@H]1CCCc2nc(N(CC)C(C)C)sc21 ZINC000054902450 520094214 /nfs/dbraw/zinc/09/42/14/520094214.db2.gz FHYPEYIRMFHIPV-LBPRGKRZSA-N 1 0 281.469 3.755 10 0 CHAERO CCC[NH2+][C@H]1CCN([C@H](CCC)c2cccs2)C1 ZINC000049545608 520095816 /nfs/dbraw/zinc/09/58/16/520095816.db2.gz CYAXWSWUTMWOFP-UONOGXRCSA-N 1 0 266.454 3.663 10 0 CHAERO CC(C)n1nccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000280055223 520110187 /nfs/dbraw/zinc/11/01/87/520110187.db2.gz WIPRMRGBYSBWDO-LLVKDONJSA-N 1 0 279.334 3.593 10 0 CHAERO CC[NH2+][C@@H](c1cccnc1)C(C)(C)c1ccccc1 ZINC000062773526 520113296 /nfs/dbraw/zinc/11/32/96/520113296.db2.gz YRXSOCKPCSNDDY-INIZCTEOSA-N 1 0 254.377 3.710 10 0 CHAERO CC[NH2+][C@@H]1CCC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703831 520118398 /nfs/dbraw/zinc/11/83/98/520118398.db2.gz SRPVKKDFWQJMCY-QWHCGFSZSA-N 1 0 273.298 3.831 10 0 CHAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1Oc1ccccc1 ZINC000054556295 520121265 /nfs/dbraw/zinc/12/12/65/520121265.db2.gz UNBJIQLVIHETCK-OIISXLGYSA-N 1 0 261.409 3.868 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(-c2cc(F)ccc2F)o1 ZINC000052924454 520175733 /nfs/dbraw/zinc/17/57/33/520175733.db2.gz UCGDLOJCSQJXLB-SECBINFHSA-N 1 0 251.276 3.895 10 0 CHAERO CC[NH2+][C@H](c1ccc(CC)s1)[C@@H]1CCCCO1 ZINC000050961881 520208032 /nfs/dbraw/zinc/20/80/32/520208032.db2.gz RNSBRQLHQSQSTE-JSGCOSHPSA-N 1 0 253.411 3.530 10 0 CHAERO CC[NH2+][C@H](c1ccc2c(c1)COC2)C1CCCCC1 ZINC000062333663 520210581 /nfs/dbraw/zinc/21/05/81/520210581.db2.gz HGERLGHUSKGBNF-KRWDZBQOSA-N 1 0 259.393 3.948 10 0 CHAERO CCCOc1ccc(-c2csc(C[NH2+]C)c2)cc1 ZINC000055243990 520316530 /nfs/dbraw/zinc/31/65/30/520316530.db2.gz PKXDKLKUNIKPAU-UHFFFAOYSA-N 1 0 261.390 3.923 10 0 CHAERO CCCCN(C)[C@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052418089 520433650 /nfs/dbraw/zinc/43/36/50/520433650.db2.gz QLRODXRQTUVDEJ-QGZVFWFLSA-N 1 0 262.441 3.705 10 0 CHAERO CCCOc1ccc([C@H]2CC[NH2+][C@@H]2CC(C)C)cc1 ZINC000054929192 520433959 /nfs/dbraw/zinc/43/39/59/520433959.db2.gz LPJXPTHHSAAQGK-IAGOWNOFSA-N 1 0 261.409 3.967 10 0 CHAERO CCCCN([C@H](C[NH2+]CC)c1ccccc1)C1CC1 ZINC000052512700 520551880 /nfs/dbraw/zinc/55/18/80/520551880.db2.gz QFJUADOLNDFIIE-QGZVFWFLSA-N 1 0 260.425 3.602 10 0 CHAERO CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCCc2ccccc21 ZINC000053487457 520667104 /nfs/dbraw/zinc/66/71/04/520667104.db2.gz DULQSBUFRGEKGM-HUUCEWRRSA-N 1 0 260.425 3.606 10 0 CHAERO CCC[C@@H](CCOCC(F)(F)F)C[NH2+]C(C)(C)C ZINC000052970759 520702763 /nfs/dbraw/zinc/70/27/63/520702763.db2.gz VKMATGTYRGRNCH-NSHDSACASA-N 1 0 269.351 3.760 10 0 CHAERO CCOc1cc(C[NH2+][C@H](C)c2ccc(C)o2)ccc1O ZINC000034993619 520731151 /nfs/dbraw/zinc/73/11/51/520731151.db2.gz VGLRXFJIYAAIJZ-GFCCVEGCSA-N 1 0 275.348 3.543 10 0 CHAERO CCC[C@@H]([NH2+]CCN(CC)CC)c1cccs1 ZINC000049544786 520775036 /nfs/dbraw/zinc/77/50/36/520775036.db2.gz ZHZYWEYOGMXNBH-CYBMUJFWSA-N 1 0 254.443 3.521 10 0 CHAERO CC1CCC(C[NH3+])(OCc2ccccc2Cl)CC1 ZINC000050492482 520914929 /nfs/dbraw/zinc/91/49/29/520914929.db2.gz IRUJLMDDXCXQJN-UHFFFAOYSA-N 1 0 267.800 3.764 10 0 CHAERO CC1CCC([NH2+]CCOc2cccc(F)c2F)CC1 ZINC000062655086 520956077 /nfs/dbraw/zinc/95/60/77/520956077.db2.gz KXRZWEIMNWXVTK-UHFFFAOYSA-N 1 0 269.335 3.512 10 0 CHAERO CC1CCC(OCc2ccc(C[NH2+]C3CC3)o2)CC1 ZINC000052619174 520962378 /nfs/dbraw/zinc/96/23/78/520962378.db2.gz XHLINNIKJYMCRY-UHFFFAOYSA-N 1 0 263.381 3.627 10 0 CHAERO CCCC[C@@H](CC)c1nnc(CC[NH2+]C(C)(C)C)o1 ZINC000050620589 521039540 /nfs/dbraw/zinc/03/95/40/521039540.db2.gz GRMPAGMZESGLRF-GFCCVEGCSA-N 1 0 267.417 3.684 10 0 CHAERO CCC[C@H](C[NH2+]C)Cc1cccc(C(F)(F)F)c1 ZINC000052968913 521101944 /nfs/dbraw/zinc/10/19/44/521101944.db2.gz PQIPRFMQUWUOLG-LBPRGKRZSA-N 1 0 259.315 3.884 10 0 CHAERO CCC[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccs1 ZINC000049543991 521159324 /nfs/dbraw/zinc/15/93/24/521159324.db2.gz XZGSOWRNUIUYSG-STQMWFEESA-N 1 0 253.411 3.748 10 0 CHAERO CCCC[C@H](CC)Cn1nc(C)c([C@H](C)[NH2+]C)c1C ZINC000054717979 521180554 /nfs/dbraw/zinc/18/05/54/521180554.db2.gz MVQMFIXVEWZEEG-WFASDCNBSA-N 1 0 265.445 3.997 10 0 CHAERO CCCC[C@H](CC)c1nnc([C@H](CC)[NH2+]CC)o1 ZINC000061512740 521182609 /nfs/dbraw/zinc/18/26/09/521182609.db2.gz PIGJRXBAJVBJRJ-RYUDHWBXSA-N 1 0 253.390 3.814 10 0 CHAERO CCC[C@](C)(C[NH2+]CC)Cc1ccc(OC)c(F)c1 ZINC000054656523 521269221 /nfs/dbraw/zinc/26/92/21/521269221.db2.gz QZUDELXSYOTGMZ-INIZCTEOSA-N 1 0 267.388 3.793 10 0 CHAERO CCOc1ccc2[nH+]c3c(c(NC)c2c1)CCCC3 ZINC000050868963 521308312 /nfs/dbraw/zinc/30/83/12/521308312.db2.gz VGBGUBWAZDNEOJ-UHFFFAOYSA-N 1 0 256.349 3.554 10 0 CHAERO CCC(CC)(CCCOCC(F)(F)F)C[NH2+]C1CC1 ZINC000054658825 521404900 /nfs/dbraw/zinc/40/49/00/521404900.db2.gz UQJGFCVROPYHNE-UHFFFAOYSA-N 1 0 281.362 3.904 10 0 CHAERO COCC[C@@H](C[NH2+]C(C)(C)C)Cc1cccc(Cl)c1 ZINC000052977849 521803761 /nfs/dbraw/zinc/80/37/61/521803761.db2.gz PPUSICUCTASLTO-CQSZACIVSA-N 1 0 283.843 3.923 10 0 CHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000236900371 521836773 /nfs/dbraw/zinc/83/67/73/521836773.db2.gz REMWAXDKUBSJIA-SMDDNHRTSA-N 1 0 294.464 3.889 10 0 CHAERO COCC[C@H](C[NH2+]C(C)C)Cc1ccccc1Cl ZINC000052979669 521926041 /nfs/dbraw/zinc/92/60/41/521926041.db2.gz NIEWXPPZJVUVNL-ZDUSSCGKSA-N 1 0 269.816 3.533 10 0 CHAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(C(C)C)cc1 ZINC000054627355 521956425 /nfs/dbraw/zinc/95/64/25/521956425.db2.gz DBRILTDLRWLPSA-ZXFUBFMLSA-N 1 0 258.409 3.529 10 0 CHAERO CC[C@@H](C)COc1ccc2ccccc2c1CC[NH3+] ZINC000050427345 522005138 /nfs/dbraw/zinc/00/51/38/522005138.db2.gz PSXUTFHYUDVCSR-CYBMUJFWSA-N 1 0 257.377 3.766 10 0 CHAERO C[NH2+]Cc1cc(COc2cc(C)cc(C)c2)c(C)o1 ZINC000052666583 522110992 /nfs/dbraw/zinc/11/09/92/522110992.db2.gz NWQUCFBYFYSCJW-UHFFFAOYSA-N 1 0 259.349 3.503 10 0 CHAERO CC[C@H](C[NH2+]C1CC1)Oc1ccc(Cl)cc1C ZINC000052677648 522193927 /nfs/dbraw/zinc/19/39/27/522193927.db2.gz QJKIHZALMNHFPB-CYBMUJFWSA-N 1 0 253.773 3.558 10 0 CHAERO COC[C@@H](C)C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000155449454 522205525 /nfs/dbraw/zinc/20/55/25/522205525.db2.gz KHMWGEQSAZIRME-GOEBONIOSA-N 1 0 289.419 3.695 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2cccc3ncccc32)o1 ZINC000052924121 522329613 /nfs/dbraw/zinc/32/96/13/522329613.db2.gz CMLGXGCMGNEFEX-NSHDSACASA-N 1 0 252.317 3.775 10 0 CHAERO CC[C@H](N)[C@H](c1ccc(C)s1)[NH+]1CCC(C)(C)CC1 ZINC000061818355 522344813 /nfs/dbraw/zinc/34/48/13/522344813.db2.gz RARGXZLIJZWFIY-DZGCQCFKSA-N 1 0 280.481 3.957 10 0 CHAERO C[NH2+][C@@H](Cc1nc(C)cs1)c1ccc(C)cc1C ZINC000055268184 522364672 /nfs/dbraw/zinc/36/46/72/522364672.db2.gz PMJAVLCJHWTZSI-AWEZNQCLSA-N 1 0 260.406 3.572 10 0 CHAERO CCc1nc(N(C)CC(C)C)sc1C[NH2+]CC(C)C ZINC000054996663 522378971 /nfs/dbraw/zinc/37/89/71/522378971.db2.gz JXEMZXHMQBYWPZ-UHFFFAOYSA-N 1 0 283.485 3.543 10 0 CHAERO C[NH2+][C@@H]1CCC[C@H]1CCOc1ccc(Br)cc1 ZINC000049597069 522387190 /nfs/dbraw/zinc/38/71/90/522387190.db2.gz KUYFKGIVRMSFKN-SMDDNHRTSA-N 1 0 298.224 3.606 10 0 CHAERO C[NH2+][C@@H]1CCN(c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000049711919 522394457 /nfs/dbraw/zinc/39/44/57/522394457.db2.gz XDFLYGNFGZYEQW-JOYOIKCWSA-N 1 0 273.207 3.570 10 0 CHAERO C[NH2+][C@H](C)c1ccc(OCCc2cccs2)cc1 ZINC000049585787 522449520 /nfs/dbraw/zinc/44/95/20/522449520.db2.gz BZWXRJWEAOKMCY-GFCCVEGCSA-N 1 0 261.390 3.650 10 0 CHAERO C[NH2+][C@H](C)c1sc(N(C)[C@@H](C)C(C)(C)C)nc1C ZINC000054906382 522456464 /nfs/dbraw/zinc/45/64/64/522456464.db2.gz KLKFNLVFLBHJSM-KOLCDFICSA-N 1 0 269.458 3.603 10 0 CHAERO C[NH2+][C@H](COC1CCC1)c1cccc2ccccc21 ZINC000050520020 522468892 /nfs/dbraw/zinc/46/88/92/522468892.db2.gz AYMXYGDYPDYECZ-QGZVFWFLSA-N 1 0 255.361 3.669 10 0 CHAERO C[NH2+][C@H](Cc1nc(C)cs1)c1cccc(C)c1C ZINC000055268526 522475314 /nfs/dbraw/zinc/47/53/14/522475314.db2.gz BSWDRQHVSCDYRD-CQSZACIVSA-N 1 0 260.406 3.572 10 0 CHAERO C[NH2+][C@H](Cc1csc(C)n1)c1cc(C)ccc1C ZINC000055294951 522475725 /nfs/dbraw/zinc/47/57/25/522475725.db2.gz SNLIUXIBSXDSKA-OAHLLOKOSA-N 1 0 260.406 3.572 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCOC1 ZINC000062231952 522479936 /nfs/dbraw/zinc/47/99/36/522479936.db2.gz BNZUKGJVLDCTEQ-ZWNOBZJWSA-N 1 0 274.191 3.681 10 0 CHAERO C[NH2+][C@H](c1ccccc1OC(F)(F)F)C(C)(C)C ZINC000055224477 522485213 /nfs/dbraw/zinc/48/52/13/522485213.db2.gz RAOPYGKPXIZKBC-LLVKDONJSA-N 1 0 261.287 3.892 10 0 CHAERO CCc1[nH+]c2cc(N)ccc2n1[C@@H]1CCC[C@H](C)C1 ZINC000052852524 522488078 /nfs/dbraw/zinc/48/80/78/522488078.db2.gz RPFDRMCQJKVCEE-WCQYABFASA-N 1 0 257.381 3.932 10 0 CHAERO COC1(CNc2[nH+]c(C)cc3ccccc32)CCC1 ZINC000302006223 522635677 /nfs/dbraw/zinc/63/56/77/522635677.db2.gz ACTPXUJHMFIKCM-UHFFFAOYSA-N 1 0 256.349 3.524 10 0 CHAERO CC[C@H]([NH2+]Cc1ncc(CSC)s1)C(C)C ZINC000293429632 522671330 /nfs/dbraw/zinc/67/13/30/522671330.db2.gz BASGZMLWPJMWBY-NSHDSACASA-N 1 0 258.456 3.530 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccccc1OC ZINC000157794033 522719095 /nfs/dbraw/zinc/71/90/95/522719095.db2.gz FUNCSXQWQSDWHL-HFTRVMKXSA-N 1 0 289.419 3.694 10 0 CHAERO CC[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000227539677 522761794 /nfs/dbraw/zinc/76/17/94/522761794.db2.gz KEQBZKQFVDLGBR-ILXRZTDVSA-N 1 0 272.417 3.934 10 0 CHAERO COc1cc([C@H](C)[NH3+])ccc1OCCC(C)(C)C ZINC000049240449 522938996 /nfs/dbraw/zinc/93/89/96/522938996.db2.gz GMJSCIRLUHHYHK-NSHDSACASA-N 1 0 251.370 3.530 10 0 CHAERO CC[C@H](c1cccs1)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052853855 522953387 /nfs/dbraw/zinc/95/33/87/522953387.db2.gz PVHAWLSOFJUDOB-CYBMUJFWSA-N 1 0 271.389 3.988 10 0 CHAERO CC[C@@H]1CSC(N[C@@H](C)c2cccc(Cl)c2)=[NH+]1 ZINC000049526520 523519537 /nfs/dbraw/zinc/51/95/37/523519537.db2.gz PSLLVMBIQXDRFJ-JOYOIKCWSA-N 1 0 268.813 3.872 10 0 CHAERO C[N@H+](Cc1nc2sccc2c(Cl)n1)CC(C)(C)C ZINC000050840479 523572133 /nfs/dbraw/zinc/57/21/33/523572133.db2.gz WMERPQDUPFGELZ-UHFFFAOYSA-N 1 0 283.828 3.823 10 0 CHAERO CC[C@H](C)C[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000054471401 523883513 /nfs/dbraw/zinc/88/35/13/523883513.db2.gz ZJIQFFTYEDGIJU-VIFPVBQESA-N 1 0 289.206 3.568 10 0 CHAERO CC[C@H](C)COc1ccc2ccccc2c1CC[NH3+] ZINC000050427346 523889491 /nfs/dbraw/zinc/88/94/91/523889491.db2.gz PSXUTFHYUDVCSR-ZDUSSCGKSA-N 1 0 257.377 3.766 10 0 CHAERO COCC[NH2+]CC1(Cc2ccccc2Cl)CCCC1 ZINC000054656061 523936002 /nfs/dbraw/zinc/93/60/02/523936002.db2.gz CZJLRESTQNCDCP-UHFFFAOYSA-N 1 0 281.827 3.679 10 0 CHAERO COCC[NH2+]C[C@@H](Cc1ccc(Cl)cc1)CC(C)C ZINC000054662150 523940869 /nfs/dbraw/zinc/94/08/69/523940869.db2.gz ASBDRFGTNOSTPL-OAHLLOKOSA-N 1 0 283.843 3.781 10 0 CHAERO COc1ccc(Cl)cc1[C@H]1CCCCC[C@@H]1[NH3+] ZINC000055231191 524254387 /nfs/dbraw/zinc/25/43/87/524254387.db2.gz VTPHBYPUGXZKOM-YPMHNXCESA-N 1 0 253.773 3.724 10 0 CHAERO C[C@@H]1CCC[C@H]([N@@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000062666571 524391344 /nfs/dbraw/zinc/39/13/44/524391344.db2.gz NLEJSRFQDHZAFS-NJAFHUGGSA-N 1 0 272.436 3.602 10 0 CHAERO COc1ccccc1CC1(C[NH2+]C2CC2)CCCC1 ZINC000054655893 524391498 /nfs/dbraw/zinc/39/14/98/524391498.db2.gz NVAJZCUTTYLZSS-UHFFFAOYSA-N 1 0 259.393 3.550 10 0 CHAERO Cc1cc(C)cc(C[C@H]([NH3+])c2ccc(F)cc2C)c1 ZINC000055229337 524398803 /nfs/dbraw/zinc/39/88/03/524398803.db2.gz UZTWMMFJMDFUHY-KRWDZBQOSA-N 1 0 257.352 3.993 10 0 CHAERO Cc1ccc(CN2C[C@@H](C)[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000062671202 524479230 /nfs/dbraw/zinc/47/92/30/524479230.db2.gz KBROUDDZTNHLFW-VQIMIIECSA-N 1 0 280.415 3.530 10 0 CHAERO C[C@@H]1CC[C@@H]([NH2+]CC2CCOCC2)c2ccccc21 ZINC000131238364 524615088 /nfs/dbraw/zinc/61/50/88/524615088.db2.gz KBBBJJPTXIWOSF-CXAGYDPISA-N 1 0 259.393 3.641 10 0 CHAERO C[C@H]1CN(Cc2cccc(Cl)c2)c2ccccc2C[NH2+]1 ZINC000062673113 524622869 /nfs/dbraw/zinc/62/28/69/524622869.db2.gz ARSYXOWSBFMIDA-ZDUSSCGKSA-N 1 0 286.806 3.838 10 0 CHAERO COc1ccc(N[C@H](C[NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000057593845 524709336 /nfs/dbraw/zinc/70/93/36/524709336.db2.gz YUSUYRBGBKXJJJ-GOSISDBHSA-N 1 0 284.403 3.931 10 0 CHAERO COc1ccccc1[C@@H]([NH3+])Cc1cc(C)ccc1C ZINC000049257929 524737702 /nfs/dbraw/zinc/73/77/02/524737702.db2.gz UOMYPBJXPLBVLT-INIZCTEOSA-N 1 0 255.361 3.555 10 0 CHAERO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000281587913 524740711 /nfs/dbraw/zinc/74/07/11/524740711.db2.gz LMGMVQJYILXLMH-APIJFGDWSA-N 1 0 279.399 3.550 10 0 CHAERO Cc1cc(C[NH2+]CC(C)C)nc(C2CCCCC2)n1 ZINC000054832396 524753033 /nfs/dbraw/zinc/75/30/33/524753033.db2.gz MXRTZNGAYZUORG-UHFFFAOYSA-N 1 0 261.413 3.578 10 0 CHAERO C[C@H]([NH3+])c1cc(F)ccc1OCCc1cccs1 ZINC000049585764 524861578 /nfs/dbraw/zinc/86/15/78/524861578.db2.gz IBBFIHWPRYBKLO-JTQLQIEISA-N 1 0 265.353 3.528 10 0 CHAERO C[C@H]([NH3+])c1ccc(-n2cnc3ccccc32)c(Cl)c1 ZINC000061698355 524865406 /nfs/dbraw/zinc/86/54/06/524865406.db2.gz OKWKBATZCGZHII-JTQLQIEISA-N 1 0 271.751 3.699 10 0 CHAERO Cc1cc(N)c[nH+]c1NCc1ccc(C(C)C)cc1 ZINC000052813422 525039742 /nfs/dbraw/zinc/03/97/42/525039742.db2.gz UOBCIDISROSFQO-UHFFFAOYSA-N 1 0 255.365 3.708 10 0 CHAERO Cc1ccccc1[C@@H](C[NH3+])Nc1ccccc1Cl ZINC000057547704 525366384 /nfs/dbraw/zinc/36/63/84/525366384.db2.gz HETYZYHNPRLTQA-OAHLLOKOSA-N 1 0 260.768 3.760 10 0 CHAERO Cc1ccccc1[C@@H](C[NH2+]C(C)(C)C)OCC1CC1 ZINC000050485295 525367448 /nfs/dbraw/zinc/36/74/48/525367448.db2.gz RGOSTCPLNBGEOF-MRXNPFEDSA-N 1 0 261.409 3.851 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+][C@H](C)CCCO)c1ccccc1 ZINC000094941977 525375831 /nfs/dbraw/zinc/37/58/31/525375831.db2.gz NIGGRYPVEXZAQR-APWZRJJASA-N 1 0 283.415 3.835 10 0 CHAERO C[C@H]([NH2+]Cc1csc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000336781002 525484402 /nfs/dbraw/zinc/48/44/02/525484402.db2.gz SYDYKJAYLNJHRH-CBAPKCEASA-N 1 0 280.220 3.712 10 0 CHAERO C[C@@H]([NH2+]Cc1cccn1C)c1ccc(Cl)s1 ZINC000050595402 525540786 /nfs/dbraw/zinc/54/07/86/525540786.db2.gz BZUYWRDCZRLOHS-SECBINFHSA-N 1 0 254.786 3.591 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(N)cccc1Br ZINC000050563133 525639826 /nfs/dbraw/zinc/63/98/26/525639826.db2.gz QTYYSCJITSBQKQ-WDEREUQCSA-N 1 0 297.240 3.652 10 0 CHAERO C[C@@H]1[C@@H](C)CCCN1c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054905231 525643971 /nfs/dbraw/zinc/64/39/71/525643971.db2.gz DZYJIXNTUTYBPX-NWDGAFQWSA-N 1 0 281.469 3.656 10 0 CHAERO Cc1ccc([C@@H](C)NC2=[NH+][C@H](CC(C)C)CS2)o1 ZINC000049221841 525723177 /nfs/dbraw/zinc/72/31/77/525723177.db2.gz CALOOQGREIPSNS-VXGBXAGGSA-N 1 0 266.410 3.756 10 0 CHAERO C[C@@H]1c2ccsc2CCN1c1ccc(Cl)cc1C[NH3+] ZINC000052857573 525736105 /nfs/dbraw/zinc/73/61/05/525736105.db2.gz XVDQSFVLTISUCA-SNVBAGLBSA-N 1 0 292.835 3.984 10 0 CHAERO Cc1ccc([C@H](C)[N@@H+]2Cc3ccc(N)cc3C2)s1 ZINC000049185848 525884664 /nfs/dbraw/zinc/88/46/64/525884664.db2.gz SZQGAQYOYJRRBZ-NSHDSACASA-N 1 0 258.390 3.716 10 0 CHAERO C[C@@H](c1cccs1)N(C)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860141 526146019 /nfs/dbraw/zinc/14/60/19/526146019.db2.gz CKZTWCBBBMHZPF-VIFPVBQESA-N 1 0 293.823 3.883 10 0 CHAERO C[C@@H](c1nc(-c2ccsc2)no1)[C@H]([NH3+])c1ccccc1 ZINC000157948365 526166286 /nfs/dbraw/zinc/16/62/86/526166286.db2.gz WMRDJXZEWCGKEQ-MFKMUULPSA-N 1 0 285.372 3.602 10 0 CHAERO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157016370 526332694 /nfs/dbraw/zinc/33/26/94/526332694.db2.gz AZLVPUVKDIXEGK-CYBMUJFWSA-N 1 0 276.380 3.662 10 0 CHAERO Fc1ccc(F)c([C@@H]2CC[NH2+][C@@H]2c2ccccc2)c1 ZINC000054683540 526351125 /nfs/dbraw/zinc/35/11/25/526351125.db2.gz CKFDAXILTQQEAB-XJKSGUPXSA-N 1 0 259.299 3.783 10 0 CHAERO Cc1csc([C@H]([NH3+])c2cccc3ccccc32)n1 ZINC000058432929 526438633 /nfs/dbraw/zinc/43/86/33/526438633.db2.gz AHJOKXPZUZXZMZ-CQSZACIVSA-N 1 0 254.358 3.653 10 0 CHAERO Cc1nc(CC[NH2+]CCC2=CCCCC2)sc1C ZINC000049856147 526826230 /nfs/dbraw/zinc/82/62/30/526826230.db2.gz SAZLPURFGSDYNW-UHFFFAOYSA-N 1 0 264.438 3.783 10 0 CHAERO Clc1ccc(Cl)c(N2CC[C@H](C[NH2+]C3CC3)C2)c1 ZINC000053010518 526954081 /nfs/dbraw/zinc/95/40/81/526954081.db2.gz KXXTWCSYRVGHRA-SNVBAGLBSA-N 1 0 285.218 3.572 10 0 CHAERO Cc1nc(N2CCCC[C@H]2C)sc1C[NH2+]CC(C)C ZINC000054995297 526963947 /nfs/dbraw/zinc/96/39/47/526963947.db2.gz QBBAJNCBBIMKRV-GFCCVEGCSA-N 1 0 281.469 3.576 10 0 CHAERO [NH3+]C1(c2nc3c(s2)CSc2ccccc2-3)CCC1 ZINC000061713520 527133139 /nfs/dbraw/zinc/13/31/39/527133139.db2.gz PAMCPWLFXIOJJU-UHFFFAOYSA-N 1 0 274.414 3.754 10 0 CHAERO [NH3+]CC1(OCCCc2ccccc2)CCCCCC1 ZINC000050501981 527165261 /nfs/dbraw/zinc/16/52/61/527165261.db2.gz QKPQBKHFXBQMND-UHFFFAOYSA-N 1 0 261.409 3.688 10 0 CHAERO Cc1ncc(COc2ccc(C[NH2+]C(C)C)cc2)s1 ZINC000062336602 527283878 /nfs/dbraw/zinc/28/38/78/527283878.db2.gz ASWMBBPEMACGKI-UHFFFAOYSA-N 1 0 276.405 3.529 10 0 CHAERO [NH3+][C@@H](Cc1cccnc1)c1cc(Cl)ccc1Cl ZINC000055228827 527338020 /nfs/dbraw/zinc/33/80/20/527338020.db2.gz SSUSYIDNEMEJDE-ZDUSSCGKSA-N 1 0 267.159 3.631 10 0 CHAERO [NH3+][C@H](Cc1cccc(F)c1F)c1ccc(Cl)cc1F ZINC000062786056 527388323 /nfs/dbraw/zinc/38/83/23/527388323.db2.gz FXIMOVHGTKXMCW-CYBMUJFWSA-N 1 0 285.696 4.000 10 0 CHAERO [NH3+][C@H](Cc1ccc(F)cc1F)c1ccc(F)cc1Cl ZINC000061846178 527388387 /nfs/dbraw/zinc/38/83/87/527388387.db2.gz BBLSSSUUJDYEHX-CQSZACIVSA-N 1 0 285.696 4.000 10 0 CHAERO [NH3+][C@]1(c2cc(F)ccc2F)CCCc2ccccc21 ZINC000055242657 527422136 /nfs/dbraw/zinc/42/21/36/527422136.db2.gz VBJHJRGXDOCMJN-MRXNPFEDSA-N 1 0 259.299 3.503 10 0 CHAERO Nc1cc(Cl)ccc1SCCC[NH+]1CCCC1 ZINC000049333074 527452361 /nfs/dbraw/zinc/45/23/61/527452361.db2.gz FDJPDRKWFVTUQQ-UHFFFAOYSA-N 1 0 270.829 3.500 10 0 CHAERO Nc1ccc(SCCC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000052782969 527501063 /nfs/dbraw/zinc/50/10/63/527501063.db2.gz OITJWOVMXYVFPU-NSHDSACASA-N 1 0 270.829 3.547 10 0 CHAERO Cc1ncsc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577547 527517446 /nfs/dbraw/zinc/51/74/46/527517446.db2.gz PMQQVGDCXBLXCA-QMMMGPOBSA-N 1 0 268.332 3.581 10 0 CHAERO Cc1ncsc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577546 527517526 /nfs/dbraw/zinc/51/75/26/527517526.db2.gz PMQQVGDCXBLXCA-MRVPVSSYSA-N 1 0 268.332 3.581 10 0 CHAERO Nc1[nH+]c2cc(Cl)ccc2n1C(C1CC1)C1CC1 ZINC000049236312 527561140 /nfs/dbraw/zinc/56/11/40/527561140.db2.gz PJWPTKLPXIWFQO-UHFFFAOYSA-N 1 0 261.756 3.633 10 0 CHAERO FC(F)(F)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127685311 527683833 /nfs/dbraw/zinc/68/38/33/527683833.db2.gz CDMILAAKULCQLL-UONOGXRCSA-N 1 0 284.325 3.744 10 0 CHAERO FC(F)(F)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127685096 527683944 /nfs/dbraw/zinc/68/39/44/527683944.db2.gz CDMILAAKULCQLL-ZIAGYGMSSA-N 1 0 284.325 3.744 10 0 CHAERO CC(C)c1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083441499 535372474 /nfs/dbraw/zinc/37/24/74/535372474.db2.gz PHABLKOFDPOREF-WMLDXEAASA-N 1 0 260.425 3.633 10 0 CHAERO CCc1cccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083542127 535893102 /nfs/dbraw/zinc/89/31/02/535893102.db2.gz LCQMYBDDJXFZDK-ZWKOTPCHSA-N 1 0 274.452 3.708 10 0 CHAERO CC(C)c1ncc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)s1 ZINC000328629123 566984908 /nfs/dbraw/zinc/98/49/08/566984908.db2.gz OKXDIDVFIJAHSV-OCCSQVGLSA-N 1 0 296.480 3.807 10 0 CHAERO Brc1ccc([C@@H]2[NH2+]CCc3ccsc32)cc1 ZINC000084704881 567032168 /nfs/dbraw/zinc/03/21/68/567032168.db2.gz DPLDMXAQACEFEH-LBPRGKRZSA-N 1 0 294.217 3.746 10 0 CHAERO Cc1cccc(Sc2ccccc2N2CC[NH2+]CC2)c1C ZINC000095557867 567038819 /nfs/dbraw/zinc/03/88/19/567038819.db2.gz IFZNYQPTDBKBSE-UHFFFAOYSA-N 1 0 298.455 3.864 10 0 CHAERO CC[NH+](CC)[C@@]1(CC)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961832 567210582 /nfs/dbraw/zinc/21/05/82/567210582.db2.gz WSOXVVPHHZSDBQ-INIZCTEOSA-N 1 0 284.444 3.508 10 0 CHAERO [NH3+]Cc1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000040999794 567891003 /nfs/dbraw/zinc/89/10/03/567891003.db2.gz FYGNJYLXDRROPN-UHFFFAOYSA-N 1 0 296.395 3.848 10 0 CHAERO Clc1ccc(-c2noc3c2C[N@H+](CC2CC2)CC3)cc1 ZINC000067805991 567900674 /nfs/dbraw/zinc/90/06/74/567900674.db2.gz GGBPHVIHFXKRCD-UHFFFAOYSA-N 1 0 288.778 3.763 10 0 CHAERO CCCCOCCC[NH2+]Cc1ccccc1OC(C)C ZINC000040731293 567907710 /nfs/dbraw/zinc/90/77/10/567907710.db2.gz RKSKFFRJKGEJMP-UHFFFAOYSA-N 1 0 279.424 3.770 10 0 CHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@@H]1c1ccccc1Br ZINC000725254392 567913280 /nfs/dbraw/zinc/91/32/80/567913280.db2.gz NCGWVXSLJAMAQC-DUFXMDAXSA-N 1 0 280.209 3.693 10 0 CHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@@H]1c1cccc(Br)c1 ZINC000725254463 567913532 /nfs/dbraw/zinc/91/35/32/567913532.db2.gz ULAIWKKPZCAKCF-QCZZGDTMSA-N 1 0 280.209 3.693 10 0 CHAERO CCCC1CCC([NH2+]CCOCCC(C)C)CC1 ZINC000103987247 1127009473 /nfs/dbraw/zinc/00/94/73/1127009473.db2.gz FGHSEGARGXVYTA-UHFFFAOYSA-N 1 0 255.446 3.998 10 0 CHAERO Cc1cccc(C2CC([NH2+]C[C@H]3CCO[C@@H](C)C3)C2)c1 ZINC000364240093 1118046484 /nfs/dbraw/zinc/04/64/84/1118046484.db2.gz WGJVJYHIOQLGLB-QEFXCSQDSA-N 1 0 273.420 3.646 10 0 CHAERO COc1cc2c(cc1C[NH2+]CC1CCCCC1)O[C@@H](C)C2 ZINC000105760117 1120548495 /nfs/dbraw/zinc/54/84/95/1120548495.db2.gz LPZACZPFGVAMJO-ZDUSSCGKSA-N 1 0 289.419 3.689 10 0 CHAERO CCc1ccc(C)[n+](C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000191698428 1125328675 /nfs/dbraw/zinc/32/86/75/1125328675.db2.gz BCBSZKKPJWKFAN-KRWDZBQOSA-N 1 0 274.428 3.727 10 0 CHAERO CCCc1nc(-c2ccccc2OCC)sc1C[NH3+] ZINC000082428357 178004327 /nfs/dbraw/zinc/00/43/27/178004327.db2.gz SZKABPQRUXYJMG-UHFFFAOYSA-N 1 0 276.405 3.620 10 0 CHAERO CC[NH2+]Cc1sc(N2CCC[C@@H](C)C2)nc1C(C)C ZINC000082434823 178012058 /nfs/dbraw/zinc/01/20/58/178012058.db2.gz WNGWQJXDLHJGQL-GFCCVEGCSA-N 1 0 281.469 3.612 10 0 CHAERO CCC1(CC)C[C@H]([NH2+]C)c2cc(Cl)ccc2O1 ZINC000082508395 178073885 /nfs/dbraw/zinc/07/38/85/178073885.db2.gz SXJULOPRPKPZHK-LBPRGKRZSA-N 1 0 253.773 3.942 10 0 CHAERO CC[NH2+][C@H]1CC2(CCCCC2)Oc2ccc(OC)cc21 ZINC000082509196 178075480 /nfs/dbraw/zinc/07/54/80/178075480.db2.gz NBCNWOJDACDUGE-HNNXBMFYSA-N 1 0 275.392 3.831 10 0 CHAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1ccc(C)c(Cl)c1 ZINC000082661142 178148424 /nfs/dbraw/zinc/14/84/24/178148424.db2.gz MFTOAVMAVCBBHU-UHFFFAOYSA-N 1 0 291.826 3.888 10 0 CHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(OC)c(OC)c2)c1 ZINC000082710582 178222346 /nfs/dbraw/zinc/22/23/46/178222346.db2.gz YPDLYQJIBMTDFM-LLVKDONJSA-N 1 0 289.350 3.790 10 0 CHAERO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000096747941 185111305 /nfs/dbraw/zinc/11/13/05/185111305.db2.gz GRBOJZGPSPHANX-ARFHVFGLSA-N 1 0 256.478 3.767 10 0 CHAERO COc1cc([C@H](C[NH3+])C(C)C)c(OC)cc1C(C)C ZINC000096889397 185123528 /nfs/dbraw/zinc/12/35/28/185123528.db2.gz RUWGTFOMKVJRPY-CQSZACIVSA-N 1 0 265.397 3.526 10 0 CHAERO CC(C)Oc1ccccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000083618899 178616452 /nfs/dbraw/zinc/61/64/52/178616452.db2.gz VQILYQWTQAIGKV-SFHVURJKSA-N 1 0 267.372 3.709 10 0 CHAERO CCn1cccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000091025184 260265006 /nfs/dbraw/zinc/26/50/06/260265006.db2.gz YXHFDJMZUNURIO-VXGBXAGGSA-N 1 0 274.330 3.719 10 0 CHAERO O[C@@H](CSc1ccc(Cl)cc1)C[NH+]1CCCCCC1 ZINC000084706285 178917869 /nfs/dbraw/zinc/91/78/69/178917869.db2.gz QSFIDHKPGKSPNL-CQSZACIVSA-N 1 0 299.867 3.669 10 0 CHAERO CCc1cccc2c(CCC[NH2+]C(C)C)cn(C)c21 ZINC000098160056 185695025 /nfs/dbraw/zinc/69/50/25/185695025.db2.gz FHPMGEIPCJZHKN-UHFFFAOYSA-N 1 0 258.409 3.671 10 0 CHAERO [NH3+]C[C@]1(Cc2cccc(Br)c2)C[C@H]2CC[C@@H]1C2 ZINC000103997806 185878628 /nfs/dbraw/zinc/87/86/28/185878628.db2.gz AGVUCCUOTXMYRM-GUTXKFCHSA-N 1 0 294.236 3.757 10 0 CHAERO CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)[NH2+]1 ZINC000004098574 290870470 /nfs/dbraw/zinc/87/04/70/290870470.db2.gz QPRMGHKASRLPJP-FGTMMUONSA-N 1 0 297.483 3.978 10 0 biogenic,in-vitro CHAERO Cc1csc(Sc2ccc(C[C@@H](C)[NH3+])c(C)c2)n1 ZINC000104298769 185958680 /nfs/dbraw/zinc/95/86/80/185958680.db2.gz VOTUDHMMRXSRPO-SNVBAGLBSA-N 1 0 278.446 3.801 10 0 CHAERO CC[C@H]([NH3+])[C@H](Oc1ccc(SC)cc1)c1ccco1 ZINC000104337909 185974349 /nfs/dbraw/zinc/97/43/49/185974349.db2.gz CTEGXIYOLWLVDM-ZFWWWQNUSA-N 1 0 277.389 3.859 10 0 CHAERO CC[NH2+]CCCCCOc1ccc(SC)cc1 ZINC000104336860 185974359 /nfs/dbraw/zinc/97/43/59/185974359.db2.gz FJYQATPSZYFMPZ-UHFFFAOYSA-N 1 0 253.411 3.567 10 0 CHAERO CSc1ccccc1Oc1cc(C)ccc1C(N)=[NH2+] ZINC000104341492 185975216 /nfs/dbraw/zinc/97/52/16/185975216.db2.gz TYYRSFODAOOBCH-UHFFFAOYSA-N 1 0 272.373 3.793 10 0 CHAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000090770499 180037882 /nfs/dbraw/zinc/03/78/82/180037882.db2.gz ILCXYZOBAAKUCE-ZDUSSCGKSA-N 1 0 253.773 3.512 10 0 CHAERO C1CNCC[N@@H+](C2CCCCCCCCCCC2)C1 ZINC000110418036 186295832 /nfs/dbraw/zinc/29/58/32/186295832.db2.gz COQQWRMIYNIDAU-UHFFFAOYSA-N 1 0 266.473 3.955 10 0 CHAERO CCOc1ccc(C[NH2+]C(C)C)cc1C(F)(F)F ZINC000110513656 186300574 /nfs/dbraw/zinc/30/05/74/186300574.db2.gz BSRCGPKQMYNWQO-UHFFFAOYSA-N 1 0 261.287 3.602 10 0 CHAERO CO[C@H](C)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000182423896 261442598 /nfs/dbraw/zinc/44/25/98/261442598.db2.gz MSTFDGOIXKOGSC-SFYZADRCSA-N 1 0 280.170 3.818 10 0 CHAERO Cc1ccc([C@@H](O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000044123636 256724571 /nfs/dbraw/zinc/72/45/71/256724571.db2.gz SAZGVMQTZKGFSP-YJBOKZPZSA-N 1 0 269.388 3.549 10 0 CHAERO C[NH2+]Cc1ccccc1N1CCc2sccc2[C@@H]1C ZINC000042777704 134896719 /nfs/dbraw/zinc/89/67/19/134896719.db2.gz RQCGIUHJJFMFFQ-LBPRGKRZSA-N 1 0 272.417 3.591 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1cc(C)cc(C)c1 ZINC000083441675 135021389 /nfs/dbraw/zinc/02/13/89/135021389.db2.gz MDEZJVFQSVURJW-RDJZCZTQSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1cc(C)ccc1C ZINC000083441693 135021460 /nfs/dbraw/zinc/02/14/60/135021460.db2.gz UWGNFEFEOCIOIN-JKSUJKDBSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1CN(c2ccc(C(C)(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000083441436 135021466 /nfs/dbraw/zinc/02/14/66/135021466.db2.gz DWOVGVJNTLWHQM-HIFRSBDPSA-N 1 0 260.425 3.561 10 0 CHAERO CC[C@@H]1CN(c2cc(C)cc(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083441816 135022072 /nfs/dbraw/zinc/02/20/72/135022072.db2.gz BRBZUHCMGZRWLE-WBVHZDCISA-N 1 0 260.425 3.516 10 0 CHAERO CC(C)[C@H]1CN(c2ccccc2C(C)(C)C)[C@H](C)C[NH2+]1 ZINC000083541859 135028034 /nfs/dbraw/zinc/02/80/34/135028034.db2.gz CSMRJVLEJJMJRA-GDBMZVCRSA-N 1 0 274.452 3.807 10 0 CHAERO CCCCc1ccc(N2C[C@@H](CC)[NH2+]C[C@@H]2CC)cc1 ZINC000083541906 135028150 /nfs/dbraw/zinc/02/81/50/135028150.db2.gz RXDCVZGISYUEQZ-SJORKVTESA-N 1 0 274.452 3.996 10 0 CHAERO CCCC[NH2+]CCC1=NCC[C@](C)(CC(C)(C)C)O1 ZINC000005309251 170084919 /nfs/dbraw/zinc/08/49/19/170084919.db2.gz BQQSLIZKRFRWQR-MRXNPFEDSA-N 1 0 268.445 3.780 10 0 CHAERO CC(C)C[NH+](CCC(=O)c1ccccc1)CC(C)C ZINC000005522339 170108135 /nfs/dbraw/zinc/10/81/35/170108135.db2.gz QOAIJLLYOHXOIN-UHFFFAOYSA-N 1 0 261.409 3.873 10 0 CHAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000006538499 170211655 /nfs/dbraw/zinc/21/16/55/170211655.db2.gz NBQFCKNLJYVNDM-JKIFEVAISA-N 1 0 261.409 4.000 10 0 CHAERO CCOc1ccc(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000006538503 170211902 /nfs/dbraw/zinc/21/19/02/170211902.db2.gz NBQFCKNLJYVNDM-ZQIUZPCESA-N 1 0 261.409 4.000 10 0 CHAERO CCc1ccc(C[C@H]([NH3+])Cc2ccccc2C)cc1 ZINC000011600146 170425472 /nfs/dbraw/zinc/42/54/72/170425472.db2.gz KDNKHQOQQOGDJR-SFHVURJKSA-N 1 0 253.389 3.670 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])Cc2ccc(C)cc2)cc1 ZINC000011602586 170425722 /nfs/dbraw/zinc/42/57/22/170425722.db2.gz HGVWLNPXUSFXIN-KRWDZBQOSA-N 1 0 255.361 3.636 10 0 CHAERO Clc1ccc(-c2csc(C[C@H]3CCC[NH2+]3)n2)cc1 ZINC000011883988 170451867 /nfs/dbraw/zinc/45/18/67/170451867.db2.gz PSCKUUNSOWFIHC-GFCCVEGCSA-N 1 0 278.808 3.758 10 0 CHAERO CCCc1ccc(OCc2ccccc2C[NH3+])cc1 ZINC000011944906 170459996 /nfs/dbraw/zinc/45/99/96/170459996.db2.gz HOFYVCFNDYYIGR-UHFFFAOYSA-N 1 0 255.361 3.677 10 0 CHAERO [NH3+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000011994121 170465639 /nfs/dbraw/zinc/46/56/39/170465639.db2.gz DITASOJFGUJZPA-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO C[C@H]([NH3+])c1cccc(NC(=O)C(C)(C)c2ccccc2)c1 ZINC000019263120 170763316 /nfs/dbraw/zinc/76/33/16/170763316.db2.gz QJXVAEKEXQUOLA-ZDUSSCGKSA-N 1 0 282.387 3.623 10 0 CHAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1ccsc1 ZINC000019265902 170764183 /nfs/dbraw/zinc/76/41/83/170764183.db2.gz YSMBWXAJTIRHCC-HNNXBMFYSA-N 1 0 260.406 3.583 10 0 CHAERO [NH3+]C[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000019670748 170835564 /nfs/dbraw/zinc/83/55/64/170835564.db2.gz SUGYEGJZLMNUKS-AWEZNQCLSA-N 1 0 292.176 3.528 10 0 CHAERO CCN(c1cccc2ccccc21)[C@H](C[NH3+])c1ccco1 ZINC000019803555 170872492 /nfs/dbraw/zinc/87/24/92/170872492.db2.gz PTYIMGDZBDUUMO-QGZVFWFLSA-N 1 0 280.371 3.959 10 0 CHAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1ccccc1OC ZINC000019803570 170872537 /nfs/dbraw/zinc/87/25/37/170872537.db2.gz NTNKYIAMUJPERM-KRWDZBQOSA-N 1 0 284.403 3.530 10 0 CHAERO CCOc1ccccc1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000019804080 170873415 /nfs/dbraw/zinc/87/34/15/170873415.db2.gz QIMRMWWEBQQKGC-OAHLLOKOSA-N 1 0 261.752 3.787 10 0 CHAERO Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1Cl ZINC000019809601 170878166 /nfs/dbraw/zinc/87/81/66/170878166.db2.gz LLIWFFIEYURMAA-TUKIKUTGSA-N 1 0 292.810 3.508 10 0 CHAERO COc1cccc(OC)c1Oc1cccc(F)c1[C@H](C)[NH3+] ZINC000019873431 170903432 /nfs/dbraw/zinc/90/34/32/170903432.db2.gz KWDIIEHDRYDJEJ-JTQLQIEISA-N 1 0 291.322 3.655 10 0 CHAERO COc1ccc(Sc2ccccc2[C@@H](C)[NH3+])cc1 ZINC000019873980 170903840 /nfs/dbraw/zinc/90/38/40/170903840.db2.gz HXZAKBLNQHXOPG-LLVKDONJSA-N 1 0 259.374 3.866 10 0 CHAERO C[C@@H]([NH2+]CCc1ccccn1)C12CC3CC(CC(C3)C1)C2 ZINC000019916703 170925835 /nfs/dbraw/zinc/92/58/35/170925835.db2.gz DJRNJZBLWVEJHP-DGTBMVLOSA-N 1 0 284.447 3.819 10 0 CHAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)o2)[C@@H]1C ZINC000019963199 170944615 /nfs/dbraw/zinc/94/46/15/170944615.db2.gz QSXVUKIKQMKGKS-FOGDFJRCSA-N 1 0 286.213 3.956 10 0 CHAERO CCOc1ccc([C@H]([NH3+])CCc2ccc(OC)cc2)cc1 ZINC000019967483 170949108 /nfs/dbraw/zinc/94/91/08/170949108.db2.gz KOKHNSSHGDPJCD-GOSISDBHSA-N 1 0 285.387 3.727 10 0 CHAERO [NH3+][C@@H](CCC1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000019968250 170950568 /nfs/dbraw/zinc/95/05/68/170950568.db2.gz AHHCOWJFEYSXTM-INIZCTEOSA-N 1 0 286.419 3.932 10 0 CHAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2O1 ZINC000019968847 170951177 /nfs/dbraw/zinc/95/11/77/170951177.db2.gz RRUQFRZRJKDKLV-CABCVRRESA-N 1 0 293.288 3.709 10 0 CHAERO COCCc1ccc([C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000019970836 170953969 /nfs/dbraw/zinc/95/39/69/170953969.db2.gz WVJQOJYSTKLHCK-INIZCTEOSA-N 1 0 275.779 3.577 10 0 CHAERO COc1ccc(C[C@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000019971463 170955120 /nfs/dbraw/zinc/95/51/20/170955120.db2.gz AQRKJCDTMTXTGN-KRWDZBQOSA-N 1 0 255.361 3.555 10 0 CHAERO CSCCC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019997390 170964326 /nfs/dbraw/zinc/96/43/26/170964326.db2.gz SECAZUINWOWOQQ-DYCFOQDWSA-N 1 0 267.482 3.934 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1cccnc1)c1ccc(O)cc1 ZINC000020127658 171012678 /nfs/dbraw/zinc/01/26/78/171012678.db2.gz AKUXAQAUPXEWRE-WBMJQRKESA-N 1 0 256.349 3.589 10 0 CHAERO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(O)cc1 ZINC000020137086 171024680 /nfs/dbraw/zinc/02/46/80/171024680.db2.gz UTNUMIUVWHJLMG-ZIAGYGMSSA-N 1 0 255.361 3.847 10 0 CHAERO C[C@@H]([NH2+]Cc1ccncc1)c1ccc(F)c(Cl)c1 ZINC000020140328 171026860 /nfs/dbraw/zinc/02/68/60/171026860.db2.gz GKEICRBTNVAOOR-SNVBAGLBSA-N 1 0 264.731 3.725 10 0 CHAERO C[C@@H](C[NH2+]CCCOCc1ccco1)c1ccccc1 ZINC000020147115 171033753 /nfs/dbraw/zinc/03/37/53/171033753.db2.gz OVPFTESTLTVDHW-HNNXBMFYSA-N 1 0 273.376 3.580 10 0 CHAERO COc1cc(C[NH2+][C@@H](C)c2cccc(F)c2)cc(OC)c1 ZINC000020148033 171035595 /nfs/dbraw/zinc/03/55/95/171035595.db2.gz RBIMKAKNKASKES-LBPRGKRZSA-N 1 0 289.350 3.694 10 0 CHAERO COc1cccc(-c2nc(-c3ccccc3)c(C[NH3+])s2)c1 ZINC000020184391 171047490 /nfs/dbraw/zinc/04/74/90/171047490.db2.gz UMFOBFKDOXULMT-UHFFFAOYSA-N 1 0 296.395 3.944 10 0 CHAERO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000020204868 171070495 /nfs/dbraw/zinc/07/04/95/171070495.db2.gz JGAVKABQXWCRJI-HUUCEWRRSA-N 1 0 269.344 3.770 10 0 CHAERO c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000020204874 171070500 /nfs/dbraw/zinc/07/05/00/171070500.db2.gz JGAVKABQXWCRJI-CABCVRRESA-N 1 0 269.344 3.770 10 0 CHAERO CCc1ccc(OC[C@@H]2CCC[NH2+]2)c(C(C)(C)C)c1 ZINC000020221634 171082975 /nfs/dbraw/zinc/08/29/75/171082975.db2.gz RSKNSXGKZLPOIM-AWEZNQCLSA-N 1 0 261.409 3.677 10 0 CHAERO Cc1cccc([C@H](C[NH3+])N(C)Cc2cccc(Cl)c2)c1 ZINC000020225498 171088224 /nfs/dbraw/zinc/08/82/24/171088224.db2.gz LRLQGHUMVWEEGC-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2ccccc2Cl)cc1 ZINC000020225552 171088238 /nfs/dbraw/zinc/08/82/38/171088238.db2.gz PWVYJVWVPGQVMC-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO Cc1ccccc1[C@@H](C[NH3+])N(C)Cc1cccc(Cl)c1 ZINC000020225445 171088493 /nfs/dbraw/zinc/08/84/93/171088493.db2.gz WRLTUAAVCUWMPQ-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225899 171090035 /nfs/dbraw/zinc/09/00/35/171090035.db2.gz SLVMWSWOZQQICD-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000020252066 171104414 /nfs/dbraw/zinc/10/44/14/171104414.db2.gz RRWKPWNSDLYYEA-JOYOIKCWSA-N 1 0 256.187 3.885 10 0 CHAERO Cc1cccc([C@H]([NH3+])c2ccc3c(c2)CCC3)c1C ZINC000020384665 171175361 /nfs/dbraw/zinc/17/53/61/171175361.db2.gz VQTVCSANFMSYRO-GOSISDBHSA-N 1 0 251.373 3.840 10 0 CHAERO [NH3+][C@@H](Cc1nc2ccccc2s1)CC1CCCC1 ZINC000020428257 171193146 /nfs/dbraw/zinc/19/31/46/171193146.db2.gz STWMPOPYQXHZDE-GFCCVEGCSA-N 1 0 260.406 3.746 10 0 CHAERO [NH3+][C@H](Cc1nc2ccccc2s1)c1ccccc1F ZINC000020428558 171194019 /nfs/dbraw/zinc/19/40/19/171194019.db2.gz OXXKREYSFVTPCR-GFCCVEGCSA-N 1 0 272.348 3.678 10 0 CHAERO CC(C)Oc1ccc([C@H]([NH3+])Cc2ccccc2)cc1 ZINC000020434882 171200651 /nfs/dbraw/zinc/20/06/51/171200651.db2.gz PQMXSBKUGUFBPD-QGZVFWFLSA-N 1 0 255.361 3.716 10 0 CHAERO COc1cccc(Oc2cccc(Cl)c2C[NH3+])c1 ZINC000020470212 171211434 /nfs/dbraw/zinc/21/14/34/171211434.db2.gz BVRNLPAOVRZCHQ-UHFFFAOYSA-N 1 0 263.724 3.600 10 0 CHAERO C[C@@H]1CCCC[C@@H]1Oc1cccc(Cl)c1C[NH3+] ZINC000020469973 171211452 /nfs/dbraw/zinc/21/14/52/171211452.db2.gz HVPHBZYHQYEMLQ-MFKMUULPSA-N 1 0 253.773 3.756 10 0 CHAERO C[C@@H](Oc1cccc(Cl)c1C[NH3+])c1ccccc1 ZINC000020470008 171211790 /nfs/dbraw/zinc/21/17/90/171211790.db2.gz ITQLHADTZPKQGO-LLVKDONJSA-N 1 0 261.752 3.939 10 0 CHAERO CCC[NH+]1CCC(Nc2cccc(Cl)c2F)CC1 ZINC000020472456 171215538 /nfs/dbraw/zinc/21/55/38/171215538.db2.gz WLTVNUZUNAFNTA-UHFFFAOYSA-N 1 0 270.779 3.765 10 0 CHAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000020482326 171223254 /nfs/dbraw/zinc/22/32/54/171223254.db2.gz ZZSZAESDIWPJMP-BLLLJJGKSA-N 1 0 265.397 3.920 10 0 CHAERO CC(C)[C@H]([NH3+])C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505427 171228215 /nfs/dbraw/zinc/22/82/15/171228215.db2.gz HFVZSVPYHMUHNN-VIFPVBQESA-N 1 0 295.597 3.569 10 0 CHAERO CC(C)[C@@H]([NH3+])C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505426 171228344 /nfs/dbraw/zinc/22/83/44/171228344.db2.gz HFVZSVPYHMUHNN-SECBINFHSA-N 1 0 295.597 3.569 10 0 CHAERO C[C@@H]1C[C@H](O[C@@H]2CCCCC[C@@H]2[NH3+])CC(C)(C)C1 ZINC000020510477 171230325 /nfs/dbraw/zinc/23/03/25/171230325.db2.gz FYDTVHKYLAUIGR-CBBWQLFWSA-N 1 0 253.430 3.878 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@@H]1CCC[C@@H](C)C1 ZINC000020517095 171232627 /nfs/dbraw/zinc/23/26/27/171232627.db2.gz KIMRWIOFYBVALO-NQBHXWOUSA-N 1 0 251.345 3.803 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1O[C@H]1CCC[C@H](C)C1 ZINC000020517090 171232817 /nfs/dbraw/zinc/23/28/17/171232817.db2.gz OBZFOIXHHPYZHD-TUAOUCFPSA-N 1 0 251.345 3.803 10 0 CHAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020522001 171235390 /nfs/dbraw/zinc/23/53/90/171235390.db2.gz LNVKYNXOCXFIKC-TVQRCGJNSA-N 1 0 286.213 3.894 10 0 CHAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020522002 171235601 /nfs/dbraw/zinc/23/56/01/171235601.db2.gz LNVKYNXOCXFIKC-RNCFNFMXSA-N 1 0 286.213 3.894 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccc(C)cc2)cc1Cl ZINC000020521932 171235616 /nfs/dbraw/zinc/23/56/16/171235616.db2.gz ONALHHNOSFQZKM-HNNXBMFYSA-N 1 0 261.752 3.705 10 0 CHAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1Cl ZINC000020521957 171235708 /nfs/dbraw/zinc/23/57/08/171235708.db2.gz LAIRRQUGOBJPRF-AWEZNQCLSA-N 1 0 261.752 3.591 10 0 CHAERO Clc1ccc(Cl)c(OCCC[NH2+]C2CC2)c1 ZINC000020525059 171238122 /nfs/dbraw/zinc/23/81/22/171238122.db2.gz CMBHGJIKXVKRNR-UHFFFAOYSA-N 1 0 260.164 3.514 10 0 CHAERO [NH3+][C@H]1CCC[C@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000020544641 171242935 /nfs/dbraw/zinc/24/29/35/171242935.db2.gz VNFBWGWNZWGBEA-DLBZAZTESA-N 1 0 269.344 3.738 10 0 CHAERO CC[C@H](C)C[C@@](CC)(CN)[NH+]1CCCCCCC1 ZINC000020547508 171245056 /nfs/dbraw/zinc/24/50/56/171245056.db2.gz NIRTYKCJZBTQFD-HOTGVXAUSA-N 1 0 254.462 3.796 10 0 CHAERO Cc1ccc(O[C@H]2CCCc3ccccc3[C@@H]2[NH3+])cc1 ZINC000020547937 171245286 /nfs/dbraw/zinc/24/52/86/171245286.db2.gz BZHHXCZEVPQNKY-ROUUACIJSA-N 1 0 267.372 3.779 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000020553856 171249376 /nfs/dbraw/zinc/24/93/76/171249376.db2.gz GKCKRBUBVLXVJP-ULQDDVLXSA-N 1 0 297.483 3.767 10 0 CHAERO Cc1ccccc1O[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020554557 171249653 /nfs/dbraw/zinc/24/96/53/171249653.db2.gz BOLBSPIRZRROMU-IJEWVQPXSA-N 1 0 261.409 3.916 10 0 CHAERO CCN(C[C@H]([NH3+])c1cc(C)ccc1OC)c1ccccc1 ZINC000020554775 171249682 /nfs/dbraw/zinc/24/96/82/171249682.db2.gz LSUBGOPFPOTUTQ-KRWDZBQOSA-N 1 0 284.403 3.530 10 0 CHAERO CCC(C)(C)C1CCC(CN)([NH+]2CCCCC2)CC1 ZINC000020555636 171249840 /nfs/dbraw/zinc/24/98/40/171249840.db2.gz DBUHMLXDPWMDMO-UHFFFAOYSA-N 1 0 266.473 3.796 10 0 CHAERO c1ccc(CC[NH2+]CCCOC2CCCCC2)cc1 ZINC000020557206 171250197 /nfs/dbraw/zinc/25/01/97/171250197.db2.gz TXSBIEBVJIIAAA-UHFFFAOYSA-N 1 0 261.409 3.558 10 0 CHAERO Cc1cc(C)c([C@H]([NH3+])Cc2cccc(F)c2)c(C)c1 ZINC000020557058 171250439 /nfs/dbraw/zinc/25/04/39/171250439.db2.gz MOAHBISPLQKWLC-MRXNPFEDSA-N 1 0 257.352 3.993 10 0 CHAERO CCN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020557939 171250816 /nfs/dbraw/zinc/25/08/16/171250816.db2.gz CZXJRXGJEZYALA-HRCADAONSA-N 1 0 266.473 3.665 10 0 CHAERO Cc1ccccc1OC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020559062 171251016 /nfs/dbraw/zinc/25/10/16/171251016.db2.gz XKSWVNJQJQZTNL-CHNSHAQVSA-N 1 0 285.431 3.918 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC(C)(C)C1 ZINC000020561620 171251869 /nfs/dbraw/zinc/25/18/69/171251869.db2.gz HOEBZCQVYRTIQI-RBSFLKMASA-N 1 0 289.419 3.631 10 0 CHAERO CCN1CCC[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000020565822 171254503 /nfs/dbraw/zinc/25/45/03/171254503.db2.gz YVBZYHNWXIJEJF-CTWPCTMYSA-N 1 0 286.463 3.787 10 0 CHAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020594427 171263504 /nfs/dbraw/zinc/26/35/04/171263504.db2.gz CZFZSAQLWGAJCQ-AFAVFJNCSA-N 1 0 253.345 3.930 10 0 CHAERO Fc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595849 171264459 /nfs/dbraw/zinc/26/44/59/171264459.db2.gz CIEOGISLVKTMAL-QGZVFWFLSA-N 1 0 270.351 3.512 10 0 CHAERO CCCOc1ccc(Cl)cc1C[NH2+]CCCOCC ZINC000020928814 171280554 /nfs/dbraw/zinc/28/05/54/171280554.db2.gz QWVZJTHEKNWRGJ-UHFFFAOYSA-N 1 0 285.815 3.645 10 0 CHAERO CCn1cc(C[NH2+]Cc2ccccc2OC)c2ccccc21 ZINC000020935298 171281420 /nfs/dbraw/zinc/28/14/20/171281420.db2.gz AHXQBSCVTSOMOA-UHFFFAOYSA-N 1 0 294.398 3.960 10 0 CHAERO CCCC1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000021009273 171285795 /nfs/dbraw/zinc/28/57/95/171285795.db2.gz BIBSVUMWZBBJNA-UHFFFAOYSA-N 1 0 289.419 3.906 10 0 CHAERO CCC(CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)N(C)C ZINC000021011863 171287527 /nfs/dbraw/zinc/28/75/27/171287527.db2.gz FBXLRJIYMURHDK-IMJJTQAJSA-N 1 0 254.462 3.521 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+](C2(CN)CCC(C(C)(C)C)CC2)C1 ZINC000021012010 171287658 /nfs/dbraw/zinc/28/76/58/171287658.db2.gz ASXQZYRZAXXXJH-WMTDPASSSA-N 1 0 280.500 3.898 10 0 CHAERO Cc1ccc(O[C@H](C)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021014666 171289325 /nfs/dbraw/zinc/28/93/25/171289325.db2.gz KKPOKZMJHXQPTQ-PBHICJAKSA-N 1 0 255.361 3.771 10 0 CHAERO Cc1ccc(C)c([C@H](N)C[NH+]2CCCCCCC2)c1 ZINC000021019875 171290251 /nfs/dbraw/zinc/29/02/51/171290251.db2.gz LAQPOWMWDFOIJP-QGZVFWFLSA-N 1 0 260.425 3.569 10 0 CHAERO CC(C)[C@@H]([C@H](N)c1ccccc1)[NH+]1CCCCCC1 ZINC000021044118 171293647 /nfs/dbraw/zinc/29/36/47/171293647.db2.gz NGMCYXPPPJSATD-SJORKVTESA-N 1 0 260.425 3.587 10 0 CHAERO Cc1cccc(O[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1C ZINC000021057038 171296071 /nfs/dbraw/zinc/29/60/71/171296071.db2.gz DCUAHRWOTCUZKU-WMLDXEAASA-N 1 0 255.361 3.771 10 0 CHAERO CCOCCO[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021060068 171296995 /nfs/dbraw/zinc/29/69/95/171296995.db2.gz ZSRUVLPJECZKJF-HOTGVXAUSA-N 1 0 271.445 3.650 10 0 CHAERO CCC[NH+](CCC)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N ZINC000021500211 171305055 /nfs/dbraw/zinc/30/50/55/171305055.db2.gz VWLOWLWGJBFENC-QLFBSQMISA-N 1 0 254.462 3.651 10 0 CHAERO CN(C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000021502284 171305739 /nfs/dbraw/zinc/30/57/39/171305739.db2.gz QOJUIJWPAIZBRB-CHNSHAQVSA-N 1 0 284.447 3.667 10 0 CHAERO [NH3+][C@H]1c2ccccc2C[C@H]1Oc1ccc2ccccc2c1 ZINC000021504338 171307293 /nfs/dbraw/zinc/30/72/93/171307293.db2.gz MYOGJYIDFZJMAS-MOPGFXCFSA-N 1 0 275.351 3.843 10 0 CHAERO CCc1cccc(O[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000021505306 171307674 /nfs/dbraw/zinc/30/76/74/171307674.db2.gz CJDNCDVQHIGPQM-GUYCJALGSA-N 1 0 255.361 3.716 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2cc(C)cc(C)c2)cc1 ZINC000021506385 171308224 /nfs/dbraw/zinc/30/82/24/171308224.db2.gz LITSMIDYRJKVTO-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO C[C@H]1CCCC[N@@H+]1[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000021507098 171308496 /nfs/dbraw/zinc/30/84/96/171308496.db2.gz WLNXLSZAFWAAEF-YOEHRIQHSA-N 1 0 274.452 3.858 10 0 CHAERO CCCc1ccc([C@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021507829 171308655 /nfs/dbraw/zinc/30/86/55/171308655.db2.gz BXJXXXRTMFIEJM-RVKKMQEKSA-N 1 0 274.452 3.617 10 0 CHAERO CCc1ccc([C@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021508645 171309344 /nfs/dbraw/zinc/30/93/44/171309344.db2.gz XNUJDCIOPIEQPF-JKIFEVAISA-N 1 0 260.425 3.512 10 0 CHAERO CCN1CCC[C@H]1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510990 171310047 /nfs/dbraw/zinc/31/00/47/171310047.db2.gz VQADWPQNARJUMQ-CSDRPOHMSA-N 1 0 290.495 3.665 10 0 CHAERO CC(C)[C@H]([C@H](N)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021513435 171311297 /nfs/dbraw/zinc/31/12/97/171311297.db2.gz VQXXZKPPMIZYOW-CYGHRXIMSA-N 1 0 274.452 3.689 10 0 CHAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2cccc3c2OC(C)(C)C3)C1 ZINC000021514859 171311761 /nfs/dbraw/zinc/31/17/61/171311761.db2.gz JNGVEWAWAGRRJX-INWMFGNUSA-N 1 0 289.419 3.685 10 0 CHAERO COc1ccc(O[C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000021515765 171312388 /nfs/dbraw/zinc/31/23/88/171312388.db2.gz LNTAFYSXDCUKCR-ZWKOTPCHSA-N 1 0 285.387 3.799 10 0 CHAERO COc1ccc(O[C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000021515763 171312636 /nfs/dbraw/zinc/31/26/36/171312636.db2.gz LNTAFYSXDCUKCR-ROUUACIJSA-N 1 0 285.387 3.799 10 0 CHAERO CCCOc1ccc([C@@H](C)NCCC[NH+](CC)CC)cc1 ZINC000021516704 171312900 /nfs/dbraw/zinc/31/29/00/171312900.db2.gz UQENKNPVLBNJPG-MRXNPFEDSA-N 1 0 292.467 3.858 10 0 CHAERO CC[C@H](Oc1cccc(C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000021518656 171314853 /nfs/dbraw/zinc/31/48/53/171314853.db2.gz NFTGADABOBMIAZ-IRXDYDNUSA-N 1 0 255.361 3.852 10 0 CHAERO Cc1ccc(C)c([C@@H](N)C[N@@H+](C)C2CCCCC2)c1 ZINC000021520963 171315876 /nfs/dbraw/zinc/31/58/76/171315876.db2.gz WLIKYECTOKUNNY-KRWDZBQOSA-N 1 0 260.425 3.568 10 0 CHAERO CCN(CC)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021788223 171322762 /nfs/dbraw/zinc/32/27/62/171322762.db2.gz NREJDJGTVXURCE-HNNXBMFYSA-N 1 0 276.468 3.977 10 0 CHAERO CCN(CC)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021788487 171323206 /nfs/dbraw/zinc/32/32/06/171323206.db2.gz PPSCGGSISKZKLW-LLVKDONJSA-N 1 0 289.250 3.986 10 0 CHAERO CCCOc1ccccc1O[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000021800929 171325972 /nfs/dbraw/zinc/32/59/72/171325972.db2.gz DQQXSVCOTAUJHR-LSDHHAIUSA-N 1 0 277.408 3.904 10 0 CHAERO Cc1ccc(OC[C@@H]([NH3+])c2ccccc2C)cc1C ZINC000021808207 171328178 /nfs/dbraw/zinc/32/81/78/171328178.db2.gz VTTSAJYQCNCXFD-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO CCc1ccc(OC[C@H]([NH3+])c2cc(C)ccc2OC)cc1 ZINC000021817122 171332794 /nfs/dbraw/zinc/33/27/94/171332794.db2.gz MDIPTAIOCATRSP-KRWDZBQOSA-N 1 0 285.387 3.645 10 0 CHAERO CC[N@H+]([C@H](CN)c1cccc(Cl)c1)C1CCCCC1 ZINC000021819080 171333717 /nfs/dbraw/zinc/33/37/17/171333717.db2.gz UKFBGJBFTXBYPC-MRXNPFEDSA-N 1 0 280.843 3.994 10 0 CHAERO CCC[NH+](CCC)[C@H]1CCCc2ccccc2[C@H]1N ZINC000022150969 171358449 /nfs/dbraw/zinc/35/84/49/171358449.db2.gz ZSNYVBGLFJOBHJ-DLBZAZTESA-N 1 0 260.425 3.513 10 0 CHAERO Cc1cc(C)cc(C(=O)Nc2cccc([C@H](C)[NH3+])c2)c1 ZINC000022212612 171373935 /nfs/dbraw/zinc/37/39/35/171373935.db2.gz IRDUIHWJFYBPSN-ZDUSSCGKSA-N 1 0 268.360 3.575 10 0 CHAERO CCC[NH+](CCC)[C@H]1CCc2cc(O)c(C)cc2C1 ZINC000026289031 171478703 /nfs/dbraw/zinc/47/87/03/171478703.db2.gz CTJMNJDFTNRWRV-INIZCTEOSA-N 1 0 261.409 3.680 10 0 CHAERO Clc1c(Cl)c(Cl)c2c(c1Cl)CC[NH2+]C2 ZINC000027559819 171522216 /nfs/dbraw/zinc/52/22/16/171522216.db2.gz BUKGFYLSZBAHLX-UHFFFAOYSA-N 1 0 270.974 3.946 10 0 CHAERO Clc1cccc(Cl)c1CC[C@H]1CCC[NH2+]C1 ZINC000029555554 171603386 /nfs/dbraw/zinc/60/33/86/171603386.db2.gz KACDJGMDTUAUJR-SNVBAGLBSA-N 1 0 258.192 3.926 10 0 CHAERO CCCN(C)c1cc(Br)ccc1C[NH2+]C(C)C ZINC000034824931 171879765 /nfs/dbraw/zinc/87/97/65/171879765.db2.gz SNDVBWQMKJJDFT-UHFFFAOYSA-N 1 0 299.256 3.793 10 0 CHAERO CC(C)NC(=O)C[NH2+]C1CCCCCCCCCCC1 ZINC000035135993 172003033 /nfs/dbraw/zinc/00/30/33/172003033.db2.gz UHGKIQGOLBVSOD-UHFFFAOYSA-N 1 0 282.472 3.774 10 0 CHAERO CCNC(=O)[C@@H](C)[NH2+]C1CCCCCCCCCCC1 ZINC000035136197 172004100 /nfs/dbraw/zinc/00/41/00/172004100.db2.gz UJFSZUHRAFOGBL-OAHLLOKOSA-N 1 0 282.472 3.774 10 0 CHAERO CC[C@H](C)C[C@@](CC)(CN)[N@H+](C)C1CCCCC1 ZINC000035176673 172028997 /nfs/dbraw/zinc/02/89/97/172028997.db2.gz SLMUWJJFZOUCLE-HOCLYGCPSA-N 1 0 254.462 3.795 10 0 CHAERO C[N@H+](Cc1ccccc1)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000035206588 172050561 /nfs/dbraw/zinc/05/05/61/172050561.db2.gz HYVIPJSRHJDKGE-OALUTQOASA-N 1 0 280.415 3.523 10 0 CHAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000035258241 172089326 /nfs/dbraw/zinc/08/93/26/172089326.db2.gz FAVFLCFHBUXXQU-GHMZBOCLSA-N 1 0 267.360 3.593 10 0 CHAERO C[C@H](NC1=[NH+]C[C@@H](C)S1)C12CC3CC(CC(C3)C1)C2 ZINC000035294342 172106067 /nfs/dbraw/zinc/10/60/67/172106067.db2.gz IQLZPKMURIDLPX-JDDJGOSBSA-N 1 0 278.465 3.672 10 0 CHAERO CC(C)(C)[C@@H]([NH3+])c1nc2cccc(Cl)c2s1 ZINC000035411305 172182734 /nfs/dbraw/zinc/18/27/34/172182734.db2.gz BTPXSYRUFXKYSO-JTQLQIEISA-N 1 0 254.786 3.996 10 0 CHAERO C[C@H]([NH3+])c1ccc2ccccc2c1OCc1ccccn1 ZINC000035427335 172194573 /nfs/dbraw/zinc/19/45/73/172194573.db2.gz CNWROJHPSMRZEZ-ZDUSSCGKSA-N 1 0 278.355 3.834 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000035460014 172209239 /nfs/dbraw/zinc/20/92/39/172209239.db2.gz GYWFYFRFSZKOIM-MRXNPFEDSA-N 1 0 257.402 3.936 10 0 CHAERO C[NH2+][C@H](c1ccc(C)o1)c1ccc2c(c1)CCCC2 ZINC000035459952 172209312 /nfs/dbraw/zinc/20/93/12/172209312.db2.gz LKGWEIFIQFDVEB-KRWDZBQOSA-N 1 0 255.361 3.776 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2ccccc2OC)s1 ZINC000035461033 172210303 /nfs/dbraw/zinc/21/03/03/172210303.db2.gz YNSOFOJYMYCEAC-HNNXBMFYSA-N 1 0 261.390 3.628 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2c(F)cccc2F)s1 ZINC000035460915 172210363 /nfs/dbraw/zinc/21/03/63/172210363.db2.gz FWPYLUORBBNXRU-AWEZNQCLSA-N 1 0 267.344 3.898 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)s1)c1ccccc1 ZINC000035464849 172212145 /nfs/dbraw/zinc/21/21/45/172212145.db2.gz OTPTYVOXIFPENU-GFCCVEGCSA-N 1 0 282.206 3.819 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)o1)c1ccc(C)cc1C ZINC000035468025 172216402 /nfs/dbraw/zinc/21/64/02/172216402.db2.gz LSLIKSPBFYTFLC-AWEZNQCLSA-N 1 0 294.192 3.968 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1cc(Cl)ccc1OC ZINC000035488044 172222724 /nfs/dbraw/zinc/22/27/24/172222724.db2.gz QYRFFIUSLMZUNZ-CYBMUJFWSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccccc1Cl ZINC000035494262 172228133 /nfs/dbraw/zinc/22/81/33/172228133.db2.gz BNDVUJNKBAAKOS-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@@H](c1cc(C)oc1C)c1ccc2c(c1)CCC2 ZINC000035496800 172230371 /nfs/dbraw/zinc/23/03/71/172230371.db2.gz AIZBTCBZOFTEOB-QGZVFWFLSA-N 1 0 255.361 3.694 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(OC)c1 ZINC000035498328 172232258 /nfs/dbraw/zinc/23/22/58/172232258.db2.gz PAGWUZZATMXVKW-CYBMUJFWSA-N 1 0 267.781 3.719 10 0 CHAERO CC[C@H](C)[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501253 172235815 /nfs/dbraw/zinc/23/58/15/172235815.db2.gz GHLWKVMFBNNIIF-LKFCYVNXSA-N 1 0 271.788 3.664 10 0 CHAERO C[NH2+][C@@H](c1ccncc1)c1cc(Cl)ccc1Cl ZINC000035501879 172236741 /nfs/dbraw/zinc/23/67/41/172236741.db2.gz UPSREBXKCVQNSO-ZDUSSCGKSA-N 1 0 267.159 3.697 10 0 CHAERO c1ccc(Oc2cccc([C@@H]3[NH2+]CCS3)c2)cc1 ZINC000035506124 172239310 /nfs/dbraw/zinc/23/93/10/172239310.db2.gz FKGZXIJSKRJZPW-OAHLLOKOSA-N 1 0 257.358 3.814 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(OC)c(Cl)c1 ZINC000035538237 172244897 /nfs/dbraw/zinc/24/48/97/172244897.db2.gz YTWWJMPRPIBTFU-HNNXBMFYSA-N 1 0 279.767 3.949 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(OCC)cc1 ZINC000035541194 172248795 /nfs/dbraw/zinc/24/87/95/172248795.db2.gz HMYLDTRDMWFLTP-OAHLLOKOSA-N 1 0 261.390 3.846 10 0 CHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(OC)cc1C ZINC000035542996 172251124 /nfs/dbraw/zinc/25/11/24/172251124.db2.gz JXCDUXMMDBYIMA-MRXNPFEDSA-N 1 0 259.349 3.604 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc(OC)cc1C ZINC000035543000 172251226 /nfs/dbraw/zinc/25/12/26/172251226.db2.gz GITGZZKBAXHNQJ-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1cc(F)ccc1F ZINC000035543428 172251677 /nfs/dbraw/zinc/25/16/77/172251677.db2.gz XPGCXGSERWXBQF-ZDUSSCGKSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000035545043 172252839 /nfs/dbraw/zinc/25/28/39/172252839.db2.gz WNZBXDUVCNOUHR-ZDUSSCGKSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1F ZINC000035545533 172253657 /nfs/dbraw/zinc/25/36/57/172253657.db2.gz VOYQSKJVSLCEBP-CYBMUJFWSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@@H](c1cc(F)ccc1OC)C(CC)CC ZINC000035554817 172261008 /nfs/dbraw/zinc/26/10/08/172261008.db2.gz UBJWCWAWDGRPGP-OAHLLOKOSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(OC)c(C)c1 ZINC000035571322 172267162 /nfs/dbraw/zinc/26/71/62/172267162.db2.gz GWNGHNRJHIKLOT-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO CCC[NH2+][C@H](c1ccc(OC)c(Br)c1)C1CC1 ZINC000035572559 172268758 /nfs/dbraw/zinc/26/87/58/172268758.db2.gz FOQZQYWGCNPKIV-AWEZNQCLSA-N 1 0 298.224 3.908 10 0 CHAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)C1CCC1 ZINC000035580944 172276337 /nfs/dbraw/zinc/27/63/37/172276337.db2.gz HFLSSOZFWYAMIP-AWEZNQCLSA-N 1 0 257.299 3.945 10 0 CHAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(F)cc1F ZINC000035581879 172278764 /nfs/dbraw/zinc/27/87/64/172278764.db2.gz HDPLPZNNCBXPML-CQSZACIVSA-N 1 0 251.276 3.647 10 0 CHAERO Cc1ccc(OCc2ccccc2F)c([C@H](C)[NH3+])c1 ZINC000035629415 172310235 /nfs/dbraw/zinc/31/02/35/172310235.db2.gz LQXMFIPELUOGJZ-LBPRGKRZSA-N 1 0 259.324 3.733 10 0 CHAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OCC(F)(F)F ZINC000035629760 172311118 /nfs/dbraw/zinc/31/11/18/172311118.db2.gz DMIHVIBCJGIXTN-JTQLQIEISA-N 1 0 261.287 3.607 10 0 CHAERO Cc1ccc(C(C)(C)C)c2c1[C@@H]([NH2+]C1CC1)CCO2 ZINC000035653199 172329572 /nfs/dbraw/zinc/32/95/72/172329572.db2.gz HPAMWPTUZCCIQK-AWEZNQCLSA-N 1 0 259.393 3.868 10 0 CHAERO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C(C)C ZINC000035653028 172329693 /nfs/dbraw/zinc/32/96/93/172329693.db2.gz CWYQKDSQYIKWPX-CYBMUJFWSA-N 1 0 253.773 3.860 10 0 CHAERO CCC[NH2+][C@H]1CCOc2c(Br)cc(C)cc21 ZINC000035653810 172330566 /nfs/dbraw/zinc/33/05/66/172330566.db2.gz NJIAWEGFNWVHRP-LBPRGKRZSA-N 1 0 284.197 3.581 10 0 CHAERO CC[NH2+][C@@H]1CCCOc2cc(C)c(Cl)c(C)c21 ZINC000035657749 172332298 /nfs/dbraw/zinc/33/22/98/172332298.db2.gz SMRJHFVVJYQHKG-LLVKDONJSA-N 1 0 253.773 3.780 10 0 CHAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000035662064 172340682 /nfs/dbraw/zinc/34/06/82/172340682.db2.gz RZCILJOQXNWYCA-UHFFFAOYSA-N 1 0 262.180 3.890 10 0 CHAERO [NH3+]Cc1ccnc(Oc2cccc(Cl)c2Cl)c1 ZINC000035719860 172373669 /nfs/dbraw/zinc/37/36/69/172373669.db2.gz YSQVQRRDALRIKY-UHFFFAOYSA-N 1 0 269.131 3.639 10 0 CHAERO C[C@H]([NH3+])c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719361 172373679 /nfs/dbraw/zinc/37/36/79/172373679.db2.gz SPIFPLHHIKGSDO-JTQLQIEISA-N 1 0 264.369 3.543 10 0 CHAERO [NH3+]Cc1cccnc1Oc1cccc(Cl)c1Cl ZINC000035719858 172374149 /nfs/dbraw/zinc/37/41/49/172374149.db2.gz AJAWQCPILANJDB-UHFFFAOYSA-N 1 0 269.131 3.639 10 0 CHAERO [NH3+]Cc1ccc(CSc2ccc(F)c(F)c2)c(F)c1 ZINC000035722060 172377296 /nfs/dbraw/zinc/37/72/96/172377296.db2.gz NUFXJVXHHTXNFB-UHFFFAOYSA-N 1 0 283.318 3.855 10 0 CHAERO [NH3+]Cc1ccc(F)c(CSCc2ccccc2)c1 ZINC000035722794 172378082 /nfs/dbraw/zinc/37/80/82/172378082.db2.gz BKMWBGGEGQVJQX-UHFFFAOYSA-N 1 0 261.365 3.718 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1nc2ccccc2s1 ZINC000035722512 172378247 /nfs/dbraw/zinc/37/82/47/172378247.db2.gz RATJRZZNCHACRA-ZYHUDNBSSA-N 1 0 278.446 3.906 10 0 CHAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccccc2F)C1 ZINC000035723148 172378528 /nfs/dbraw/zinc/37/85/28/172378528.db2.gz XSUCWEHYJHVWPF-JTNHKYCSSA-N 1 0 253.386 3.681 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1cc(F)ccc1F ZINC000035725001 172380000 /nfs/dbraw/zinc/38/00/00/172380000.db2.gz ZWBRADUGHHYEEL-GXFFZTMASA-N 1 0 271.376 3.965 10 0 CHAERO [NH3+]Cc1ccc(COc2cccc(Cl)c2)c(F)c1 ZINC000035726647 172380442 /nfs/dbraw/zinc/38/04/42/172380442.db2.gz OQLNONKONZVYAX-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+]C(C)C)CCCS2 ZINC000035760697 172399141 /nfs/dbraw/zinc/39/91/41/172399141.db2.gz OFXLGQBJSSELTD-CYBMUJFWSA-N 1 0 251.395 3.620 10 0 CHAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2ccc(OC)cc21 ZINC000035760771 172399847 /nfs/dbraw/zinc/39/98/47/172399847.db2.gz MKUQBXBVEAYPBK-GXFFZTMASA-N 1 0 251.395 3.620 10 0 CHAERO CC(C)(C)c1ccc2oc(C3CC[NH2+]CC3)nc2c1 ZINC000036749725 172677042 /nfs/dbraw/zinc/67/70/42/172677042.db2.gz MUTVCWLQGWHPCC-UHFFFAOYSA-N 1 0 258.365 3.592 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)cc1F)[C@H](C)CC ZINC000036767137 172685153 /nfs/dbraw/zinc/68/51/53/172685153.db2.gz WUENTNSOEKJTCY-IAQYHMDHSA-N 1 0 253.361 3.921 10 0 CHAERO COC(=O)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccs1 ZINC000037076394 172934561 /nfs/dbraw/zinc/93/45/61/172934561.db2.gz ZAPNRGUUEOBVTF-XQQFMLRXSA-N 1 0 281.421 3.521 10 0 CHAERO CC[C@H]1CCCC[N@@H+]1[C@@H](CN)c1ccc(C)c(C)c1 ZINC000037180042 173012788 /nfs/dbraw/zinc/01/27/88/173012788.db2.gz VBBBHXLRNBNTOG-IRXDYDNUSA-N 1 0 260.425 3.568 10 0 CHAERO CCc1ccc(N[C@@H](C)C2CC[NH+](CC)CC2)cc1 ZINC000037210162 173031264 /nfs/dbraw/zinc/03/12/64/173031264.db2.gz TZDBFHJTAGURJE-AWEZNQCLSA-N 1 0 260.425 3.781 10 0 CHAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cc(C)cc(C)c2)C1 ZINC000037210126 173031936 /nfs/dbraw/zinc/03/19/36/173031936.db2.gz AGFWJWDAZDCSSB-CVEARBPZSA-N 1 0 260.425 3.836 10 0 CHAERO CC[NH+]1CCC([C@H](C)Nc2ccc(Cl)cc2)CC1 ZINC000037209871 173032046 /nfs/dbraw/zinc/03/20/46/173032046.db2.gz KMYRCYYCSVKQBR-LBPRGKRZSA-N 1 0 266.816 3.872 10 0 CHAERO CCCCCC[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000037232637 173050935 /nfs/dbraw/zinc/05/09/35/173050935.db2.gz YTPIHCJNQAIHPC-HNNXBMFYSA-N 1 0 263.381 3.689 10 0 CHAERO CC(C)[C@@H](CN[C@H](C)c1ccc(F)cc1Cl)[NH+](C)C ZINC000037233292 173052032 /nfs/dbraw/zinc/05/20/32/173052032.db2.gz DDQZQKWTEOVYAU-IAQYHMDHSA-N 1 0 286.822 3.716 10 0 CHAERO Cc1cccc(C[C@H]([NH3+])c2nc3ccccc3s2)c1 ZINC000037239254 173055731 /nfs/dbraw/zinc/05/57/31/173055731.db2.gz FPSPNCUCNJXDJZ-ZDUSSCGKSA-N 1 0 268.385 3.847 10 0 CHAERO [NH3+][C@H](Cc1cccc(F)c1)c1nc2ccccc2s1 ZINC000037239270 173056263 /nfs/dbraw/zinc/05/62/63/173056263.db2.gz BXFXKYMFMQLZHS-GFCCVEGCSA-N 1 0 272.348 3.678 10 0 CHAERO CCOc1cccc(C[NH2+][C@H](C)CC(C)C)c1OC ZINC000037255517 173066176 /nfs/dbraw/zinc/06/61/76/173066176.db2.gz KIVPZAZEOWGEAR-CYBMUJFWSA-N 1 0 265.397 3.618 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1OC)C(C)C ZINC000037272511 173084169 /nfs/dbraw/zinc/08/41/69/173084169.db2.gz NRUFKJPPDIFSPU-IUODEOHRSA-N 1 0 265.397 3.789 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1C(C)C ZINC000037294830 173099335 /nfs/dbraw/zinc/09/93/35/173099335.db2.gz PGXDBAAXOXOQJB-HIFRSBDPSA-N 1 0 263.429 3.602 10 0 CHAERO COC(=O)CC[NH2+]C1CCCCCCCCCCC1 ZINC000037308582 173111150 /nfs/dbraw/zinc/11/11/50/173111150.db2.gz VAGLSQIAUZERID-UHFFFAOYSA-N 1 0 269.429 3.812 10 0 CHAERO CC[C@H](C)C[N@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037337223 173138282 /nfs/dbraw/zinc/13/82/82/173138282.db2.gz PEVSKABXTGALGE-LBPRGKRZSA-N 1 0 261.409 3.772 10 0 CHAERO Cc1ccc(C)c(C(=O)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000037339079 173140717 /nfs/dbraw/zinc/14/07/17/173140717.db2.gz DKPAIKZVSORDKK-LSDHHAIUSA-N 1 0 261.409 3.851 10 0 CHAERO CCC[C@H]([NH3+])CCc1ccc(Br)cc1 ZINC000037408545 173184790 /nfs/dbraw/zinc/18/47/90/173184790.db2.gz NLGGYFPSLIJBKH-LBPRGKRZSA-N 1 0 256.187 3.509 10 0 CHAERO CCC[C@@H]([NH3+])CCc1ccc(Br)cc1 ZINC000037408546 173185275 /nfs/dbraw/zinc/18/52/75/173185275.db2.gz NLGGYFPSLIJBKH-GFCCVEGCSA-N 1 0 256.187 3.509 10 0 CHAERO CSCC[C@@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439719 173209120 /nfs/dbraw/zinc/20/91/20/173209120.db2.gz MRDLFULATUUHMW-LLVKDONJSA-N 1 0 281.400 3.509 10 0 CHAERO [NH3+][C@H](c1nc2cc(F)ccc2n1C1CC1)c1ccccc1 ZINC000037439882 173209226 /nfs/dbraw/zinc/20/92/26/173209226.db2.gz MSCFOGDJWFCASJ-INIZCTEOSA-N 1 0 281.334 3.558 10 0 CHAERO CC(C)C[C@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439663 173209241 /nfs/dbraw/zinc/20/92/41/173209241.db2.gz PZXFAZSPQLSSPM-LBPRGKRZSA-N 1 0 263.360 3.802 10 0 CHAERO CC(C)n1c2ccc(F)cc2nc1[C@H]([NH3+])C(C)(C)C ZINC000037439690 173209389 /nfs/dbraw/zinc/20/93/89/173209389.db2.gz LJKFKOMJBZNFRB-ZDUSSCGKSA-N 1 0 263.360 3.802 10 0 CHAERO CC[C@@H](C)[C@@H]([NH3+])c1nc2cc(C)ccc2n1C(C)C ZINC000037438572 173209718 /nfs/dbraw/zinc/20/97/18/173209718.db2.gz WZJJLDDGLAPIGJ-IUODEOHRSA-N 1 0 259.397 3.972 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1cccs1 ZINC000037466191 173226167 /nfs/dbraw/zinc/22/61/67/173226167.db2.gz RXJHKNSWVFYXEX-LBPRGKRZSA-N 1 0 251.782 3.905 10 0 CHAERO Cc1cccc([C@@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000037529733 173252918 /nfs/dbraw/zinc/25/29/18/173252918.db2.gz MCUFOUXTOTWXJK-HNNXBMFYSA-N 1 0 290.204 3.980 10 0 CHAERO C[C@@]([NH3+])(Cc1ccccc1Br)c1ccccc1 ZINC000037531028 173253410 /nfs/dbraw/zinc/25/34/10/173253410.db2.gz GFSMEJJXORQPPL-OAHLLOKOSA-N 1 0 290.204 3.866 10 0 CHAERO C[C@]([NH3+])(Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037531291 173253579 /nfs/dbraw/zinc/25/35/79/173253579.db2.gz SNMOFTYYOOCUID-HNNXBMFYSA-N 1 0 263.743 3.896 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000037533502 173254541 /nfs/dbraw/zinc/25/45/41/173254541.db2.gz JHBMDPKQBYUPFL-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO CCC[NH2+][C@H](Cc1ccccc1C)c1ccccn1 ZINC000037534552 173254632 /nfs/dbraw/zinc/25/46/32/173254632.db2.gz FWSZYGHJJOUEFA-QGZVFWFLSA-N 1 0 254.377 3.673 10 0 CHAERO CC(C)[NH2+]CCc1nc(-c2ccc(Cl)cc2Cl)c[nH]1 ZINC000037618968 173568692 /nfs/dbraw/zinc/56/86/92/173568692.db2.gz HXCIDQCUWLSLKL-UHFFFAOYSA-N 1 0 298.217 3.924 10 0 CHAERO CCC[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000037658164 173605975 /nfs/dbraw/zinc/60/59/75/173605975.db2.gz DDNPUJUUAHZMGX-GJZGRUSLSA-N 1 0 267.800 3.950 10 0 CHAERO C[C@@H]([NH3+])c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000037698202 173622359 /nfs/dbraw/zinc/62/23/59/173622359.db2.gz GJEJJWAMFMETRH-LLVKDONJSA-N 1 0 261.752 3.939 10 0 CHAERO CCC(CC)C[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037775994 173707836 /nfs/dbraw/zinc/70/78/36/173707836.db2.gz BAGZSENZRWVGAG-LLVKDONJSA-N 1 0 255.352 3.922 10 0 CHAERO CC[NH2+][C@H](C)c1cc(F)ccc1N1CCC[C@@H]1CC ZINC000037914123 173847719 /nfs/dbraw/zinc/84/77/19/173847719.db2.gz PJKUCVRHURLEBF-OCCSQVGLSA-N 1 0 264.388 3.875 10 0 CHAERO CC[NH2+][C@H](C)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000037949372 173889228 /nfs/dbraw/zinc/88/92/28/173889228.db2.gz WZEFZJCSUIJNME-WDEREUQCSA-N 1 0 259.315 3.882 10 0 CHAERO C[NH2+][C@@H](CCc1cccc(C(F)(F)F)c1)C(C)C ZINC000037948888 173889235 /nfs/dbraw/zinc/88/92/35/173889235.db2.gz OLJHZALYDVKDLK-ZDUSSCGKSA-N 1 0 259.315 3.882 10 0 CHAERO CC[C@@H](Cc1ccc(Br)cc1F)[C@@H](C)[NH2+]C ZINC000038004486 173966490 /nfs/dbraw/zinc/96/64/90/173966490.db2.gz FMHPYRYMXKLAEK-ZJUUUORDSA-N 1 0 288.204 3.765 10 0 CHAERO CC[C@H](Cc1ccc(F)c(Br)c1)[C@@H](C)[NH2+]C ZINC000038004527 173966637 /nfs/dbraw/zinc/96/66/37/173966637.db2.gz LXGBLARKRUSVTE-MWLCHTKSSA-N 1 0 288.204 3.765 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c(C)c1 ZINC000038028511 174017792 /nfs/dbraw/zinc/01/77/92/174017792.db2.gz UHYOECSRNPYCGA-IRXDYDNUSA-N 1 0 274.452 3.828 10 0 CHAERO Clc1cc(Cl)c(NC2CC[NH2+]CC2)c(Cl)c1 ZINC000038040807 174041245 /nfs/dbraw/zinc/04/12/45/174041245.db2.gz RVHNZOZMITUERD-UHFFFAOYSA-N 1 0 279.598 3.811 10 0 CHAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038044165 174051279 /nfs/dbraw/zinc/05/12/79/174051279.db2.gz SMMHIAFWSPFGIW-DOTOQJQBSA-N 1 0 275.436 3.962 10 0 CHAERO C[NH2+]Cc1ccc(-c2cc(Cl)ccc2OC)cc1F ZINC000038071052 174081793 /nfs/dbraw/zinc/08/17/93/174081793.db2.gz OTSNJKGXDWMFLC-UHFFFAOYSA-N 1 0 279.742 3.874 10 0 CHAERO COc1ccc(-c2c(C)cc(C)cc2C)cc1C[NH3+] ZINC000038072285 174082649 /nfs/dbraw/zinc/08/26/49/174082649.db2.gz YZRPAIVSOUXJHC-UHFFFAOYSA-N 1 0 255.361 3.746 10 0 CHAERO CC[NH2+]Cc1cccc(-c2ccc3c(c2)CCC3)c1 ZINC000038073341 174083396 /nfs/dbraw/zinc/08/33/96/174083396.db2.gz CBBSOEQZXLUYBW-UHFFFAOYSA-N 1 0 251.373 3.952 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000038072923 174083402 /nfs/dbraw/zinc/08/34/02/174083402.db2.gz XEFFCNMOLNHIEU-GFCCVEGCSA-N 1 0 253.345 3.569 10 0 CHAERO C[NH2+]Cc1cccc(OCc2cc(C)cc(C)c2)c1 ZINC000038076683 174087716 /nfs/dbraw/zinc/08/77/16/174087716.db2.gz ARERQVKKJQUMHI-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO [NH3+][C@]1(c2ccccc2Cl)CCc2ccccc2C1 ZINC000038078336 174088688 /nfs/dbraw/zinc/08/86/88/174088688.db2.gz PPLPGVOKLRFBCT-MRXNPFEDSA-N 1 0 257.764 3.683 10 0 CHAERO CCC[NH2+][C@H](c1cccnc1)c1ccccc1Cl ZINC000038078546 174088897 /nfs/dbraw/zinc/08/88/97/174088897.db2.gz FEHNXGSDVSWFEN-OAHLLOKOSA-N 1 0 260.768 3.824 10 0 CHAERO CCCC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(F)cc1 ZINC000038088188 174100220 /nfs/dbraw/zinc/10/02/20/174100220.db2.gz GEVAHROGQZMZIW-CZUORRHYSA-N 1 0 266.404 3.597 10 0 CHAERO CCCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038095676 174109424 /nfs/dbraw/zinc/10/94/24/174109424.db2.gz JTOJLHZKBDDFHU-PBHICJAKSA-N 1 0 261.409 3.859 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038095677 174109656 /nfs/dbraw/zinc/10/96/56/174109656.db2.gz JTOJLHZKBDDFHU-YOEHRIQHSA-N 1 0 261.409 3.859 10 0 CHAERO CCCC[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000038128391 174131860 /nfs/dbraw/zinc/13/18/60/174131860.db2.gz JNOFOMJZNKEWLW-LBPRGKRZSA-N 1 0 256.187 3.509 10 0 CHAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000038636487 174150449 /nfs/dbraw/zinc/15/04/49/174150449.db2.gz NUTUJJDVYVBOFD-KRWDZBQOSA-N 1 0 262.441 3.932 10 0 CHAERO Cc1cc2[nH]c3c(c2c(Cl)c1)C[C@@H]([NH+](C)C)CC3 ZINC000039214063 174166387 /nfs/dbraw/zinc/16/63/87/174166387.db2.gz HWTBFAFJLOEAIO-JTQLQIEISA-N 1 0 262.784 3.549 10 0 CHAERO CC[NH+](CC)CCn1c2ccc(Cl)cc2nc1C1CC1 ZINC000040405554 174254207 /nfs/dbraw/zinc/25/42/07/174254207.db2.gz CVBKMSUTMZGEJM-UHFFFAOYSA-N 1 0 291.826 3.909 10 0 CHAERO COCCNc1cc(C)[nH+]c2cc(C(F)(F)F)ccc12 ZINC000040570951 174338374 /nfs/dbraw/zinc/33/83/74/174338374.db2.gz CPRCNXSZDXIIMA-UHFFFAOYSA-N 1 0 284.281 3.620 10 0 CHAERO C[C@@H]1CCC[C@](C[NH2+]CCC(C)(C)C)(N(C)C)C1 ZINC000040669059 174367536 /nfs/dbraw/zinc/36/75/36/174367536.db2.gz SDOWYDFQGMMLIH-ZBFHGGJFSA-N 1 0 254.462 3.523 10 0 CHAERO C[C@H](C[NH3+])CCOc1ccc(-c2ccccc2)cc1 ZINC000041325759 174522424 /nfs/dbraw/zinc/52/24/24/174522424.db2.gz SOFRWCCWUIHCQY-AWEZNQCLSA-N 1 0 255.361 3.717 10 0 CHAERO COc1ccc(Cl)cc1[C@H](C[NH3+])C1CCCCC1 ZINC000041386847 174542808 /nfs/dbraw/zinc/54/28/08/174542808.db2.gz CHZYEYQWWDSOBP-CQSZACIVSA-N 1 0 267.800 3.971 10 0 CHAERO C[C@H](CN1CCCCC1)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042331106 174687302 /nfs/dbraw/zinc/68/73/02/174687302.db2.gz QFDZVOOUPCHLCJ-CJNGLKHVSA-N 1 0 278.465 3.663 10 0 CHAERO c1cc(CC[NH2+][C@@H]2CSCc3ccccc32)cs1 ZINC000042600165 174816223 /nfs/dbraw/zinc/81/62/23/174816223.db2.gz HJGVFLNJINJEIX-OAHLLOKOSA-N 1 0 275.442 3.868 10 0 CHAERO CC[NH2+]Cc1c(Cl)cccc1N(CC)CC(F)(F)F ZINC000042777297 174874421 /nfs/dbraw/zinc/87/44/21/174874421.db2.gz YTCWVGHRUNNSQU-UHFFFAOYSA-N 1 0 294.748 3.838 10 0 CHAERO Cc1ccc(O[C@H](c2ccc(C)cc2)[C@@H](C)[NH3+])cc1 ZINC000042910916 174910716 /nfs/dbraw/zinc/91/07/16/174910716.db2.gz YRTYXDCCRPZDFO-PBHICJAKSA-N 1 0 255.361 3.771 10 0 CHAERO C[C@@H]([NH3+])[C@H](OC1CCC(C)CC1)c1ccc(F)cc1 ZINC000042916532 174916237 /nfs/dbraw/zinc/91/62/37/174916237.db2.gz KUKXQZYZAATYSO-OXOOOYADSA-N 1 0 265.372 3.809 10 0 CHAERO C[C@H]([NH3+])[C@H](OCCc1cccs1)c1ccc(F)cc1 ZINC000042942764 174918440 /nfs/dbraw/zinc/91/84/40/174918440.db2.gz REOUNGUSLXTLIA-NHYWBVRUSA-N 1 0 279.380 3.535 10 0 CHAERO CCCCCO[C@H](c1ccc(OC)cc1)[C@H]([NH3+])CC ZINC000042963929 174928181 /nfs/dbraw/zinc/92/81/81/174928181.db2.gz VSZGVORMRIEGRS-HZPDHXFCSA-N 1 0 265.397 3.680 10 0 CHAERO Cc1cccc([C@@H](C[NH3+])Oc2cccc(C)c2C)c1 ZINC000042968011 174932422 /nfs/dbraw/zinc/93/24/22/174932422.db2.gz DWBWBZYZJXJVTN-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO Cc1cccc([C@@H](Oc2ccccc2F)[C@@H](C)[NH3+])c1 ZINC000042968038 174932598 /nfs/dbraw/zinc/93/25/98/174932598.db2.gz YDDHXXOXONMNDN-WBMJQRKESA-N 1 0 259.324 3.601 10 0 CHAERO CCc1cccc(O[C@@H](C[NH3+])c2cccc(C)c2)c1 ZINC000042968720 174932649 /nfs/dbraw/zinc/93/26/49/174932649.db2.gz VQFNTRFGOKGLRB-KRWDZBQOSA-N 1 0 255.361 3.636 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OC1CCCC1)c1cccc(F)c1 ZINC000042973296 174937186 /nfs/dbraw/zinc/93/71/86/174937186.db2.gz DSGAQPPHCXNPSI-HUUCEWRRSA-N 1 0 251.345 3.563 10 0 CHAERO [NH3+]C[C@@H](Sc1cc(F)ccc1F)c1cccc(F)c1 ZINC000042974683 174938071 /nfs/dbraw/zinc/93/80/71/174938071.db2.gz PFMSIQARGJRIAJ-CQSZACIVSA-N 1 0 283.318 3.896 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000043017458 174943639 /nfs/dbraw/zinc/94/36/39/174943639.db2.gz XHXACQKGDWHZSZ-MEBBXXQBSA-N 1 0 279.742 3.946 10 0 CHAERO [NH3+]C[C@H](SCc1ccco1)c1cccc(Cl)c1 ZINC000043019339 174944245 /nfs/dbraw/zinc/94/42/45/174944245.db2.gz DBBMKBYKQDSMHH-ZDUSSCGKSA-N 1 0 267.781 3.866 10 0 CHAERO Cc1csc(S[C@H](c2ccccc2F)[C@H](C)[NH3+])n1 ZINC000043049562 174958084 /nfs/dbraw/zinc/95/80/84/174958084.db2.gz MYJKZSLPUCLDEY-CABZTGNLSA-N 1 0 282.409 3.771 10 0 CHAERO CC[C@H](C)N(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091348 174963977 /nfs/dbraw/zinc/96/39/77/174963977.db2.gz MLIMZJUVQVWVBN-MISXGVKJSA-N 1 0 299.256 3.568 10 0 CHAERO CCCC[C@@H](CC)Cn1nc(C)c(C[NH2+]CC)c1C ZINC000043456078 175050228 /nfs/dbraw/zinc/05/02/28/175050228.db2.gz FJTUBIOSBCWYAV-OAHLLOKOSA-N 1 0 265.445 3.826 10 0 CHAERO CC[C@H](C)Oc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]C ZINC000043460241 175051164 /nfs/dbraw/zinc/05/11/64/175051164.db2.gz GBNYNMCNORNGSX-SMDDNHRTSA-N 1 0 263.381 3.686 10 0 CHAERO CC[NH2+][C@H]1c2ccccc2CCC[C@H]1CCOCC ZINC000043649921 175085322 /nfs/dbraw/zinc/08/53/22/175085322.db2.gz KIDXYNWEJAENGC-DOTOQJQBSA-N 1 0 261.409 3.716 10 0 CHAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1sccc1Br ZINC000043676320 175088440 /nfs/dbraw/zinc/08/84/40/175088440.db2.gz AQNPDYUMKCGQBQ-MWLCHTKSSA-N 1 0 288.254 3.831 10 0 CHAERO C[NH2+][C@H](CCc1cc(Br)cs1)C(C)C ZINC000043688053 175094867 /nfs/dbraw/zinc/09/48/67/175094867.db2.gz YWZJZMVDMVEGFW-LLVKDONJSA-N 1 0 276.243 3.687 10 0 CHAERO CCCc1ccc([C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000044118252 175142198 /nfs/dbraw/zinc/14/21/98/175142198.db2.gz UKJWNVGDMKKDKJ-KRWDZBQOSA-N 1 0 261.409 3.549 10 0 CHAERO Cc1ccc([C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000044121812 175143235 /nfs/dbraw/zinc/14/32/35/175143235.db2.gz GPMJRLGIOJCSKF-YQQAZPJKSA-N 1 0 261.409 3.600 10 0 CHAERO CCCc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000044129030 175145070 /nfs/dbraw/zinc/14/50/70/175145070.db2.gz WDRHOLZWYPLRKZ-ROUUACIJSA-N 1 0 275.436 3.937 10 0 CHAERO C[C@@H]([NH3+])Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044410688 175171505 /nfs/dbraw/zinc/17/15/05/175171505.db2.gz UZAQOYJVAFCEEC-ZCFIWIBFSA-N 1 0 271.204 3.614 10 0 CHAERO Clc1ccccc1-c1csc(C[NH2+]C2CC2)n1 ZINC000045206551 175328255 /nfs/dbraw/zinc/32/82/55/175328255.db2.gz HBGFCXCARACRRL-UHFFFAOYSA-N 1 0 264.781 3.716 10 0 CHAERO COc1cc2c(cc1Cl)CC[NH2+][C@H]2Cc1ccccc1 ZINC000045283379 175353748 /nfs/dbraw/zinc/35/37/48/175353748.db2.gz JWQPRNMHWLPRTR-INIZCTEOSA-N 1 0 287.790 3.778 10 0 CHAERO C[C@@H]1[NH2+]CC[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000051954153 175528659 /nfs/dbraw/zinc/52/86/59/175528659.db2.gz WDBOFBUYULJXDQ-SUMWQHHRSA-N 1 0 253.345 3.944 10 0 CHAERO CC(C)C[C@@H]1[NH2+]CCc2c(F)ccc(Br)c21 ZINC000070821354 176007632 /nfs/dbraw/zinc/00/76/32/176007632.db2.gz NIZSBMRXCCQXRJ-LBPRGKRZSA-N 1 0 286.188 3.821 10 0 CHAERO C[NH2+][C@@H](C)c1csc(-c2ccccc2Cl)n1 ZINC000070841145 176008278 /nfs/dbraw/zinc/00/82/78/176008278.db2.gz KITUBGWQCNERGH-QMMMGPOBSA-N 1 0 252.770 3.744 10 0 CHAERO C[C@@H]([NH3+])c1csc(-c2ccc(Br)cc2)n1 ZINC000070840413 176008288 /nfs/dbraw/zinc/00/82/88/176008288.db2.gz APMRZTMHLOKPBZ-SSDOTTSWSA-N 1 0 283.194 3.592 10 0 CHAERO C[NH2+][C@H](C)c1csc(-c2ccccc2Cl)n1 ZINC000070841150 176008509 /nfs/dbraw/zinc/00/85/09/176008509.db2.gz KITUBGWQCNERGH-MRVPVSSYSA-N 1 0 252.770 3.744 10 0 CHAERO CC(C)c1nccn1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000071137761 176036496 /nfs/dbraw/zinc/03/64/96/176036496.db2.gz HLMXEZUKQZHUDL-ZDUSSCGKSA-N 1 0 251.418 3.592 10 0 CHAERO CCC[C@H]1CC[C@@H]([NH3+])[C@H](Oc2cc(F)ccc2F)C1 ZINC000071167616 176049479 /nfs/dbraw/zinc/04/94/79/176049479.db2.gz ASMVVCLUYCSAFB-PSOPSSQASA-N 1 0 269.335 3.640 10 0 CHAERO c1ccc(-c2ccc([C@H]3CSCC[NH2+]3)cc2)cc1 ZINC000071203262 176078784 /nfs/dbraw/zinc/07/87/84/176078784.db2.gz ORIPEASRUZNUSE-MRXNPFEDSA-N 1 0 255.386 3.731 10 0 CHAERO Cc1ncsc1C[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000071212929 176085077 /nfs/dbraw/zinc/08/50/77/176085077.db2.gz ANPUQWJBRAGGRR-LBPRGKRZSA-N 1 0 275.421 3.623 10 0 CHAERO CCC[NH2+]Cc1ccc(OC(C)C)c(C(F)(F)F)c1 ZINC000071398700 176151880 /nfs/dbraw/zinc/15/18/80/176151880.db2.gz BPJHRAWFTMALJQ-UHFFFAOYSA-N 1 0 275.314 3.992 10 0 CHAERO Cc1cc(C2CCCC2)nc(C2([NH3+])CCCCC2)n1 ZINC000071398256 176151903 /nfs/dbraw/zinc/15/19/03/176151903.db2.gz YWYFGDNZHKUPPI-UHFFFAOYSA-N 1 0 259.397 3.561 10 0 CHAERO CC(C)[C@@H]([NH3+])C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071574850 176202106 /nfs/dbraw/zinc/20/21/06/176202106.db2.gz XCHTWZAVHOPYAR-MRXNPFEDSA-N 1 0 253.345 3.520 10 0 CHAERO CCCCc1ccc([C@@H](N)C[NH+]2CCCCC2)cc1 ZINC000071587059 176214393 /nfs/dbraw/zinc/21/43/93/176214393.db2.gz IDBOBJLRWXCJRH-KRWDZBQOSA-N 1 0 260.425 3.515 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2Cc1ccc(F)cc1 ZINC000071651962 176241810 /nfs/dbraw/zinc/24/18/10/176241810.db2.gz PVGLIJAZTFFRCG-SFHVURJKSA-N 1 0 297.373 3.753 10 0 CHAERO Cc1ccccc1[C@@H](C[NH3+])CCOc1ccccc1 ZINC000076660430 177048511 /nfs/dbraw/zinc/04/85/11/177048511.db2.gz JWUGLKAHQORQQS-OAHLLOKOSA-N 1 0 255.361 3.506 10 0 CHAERO Cc1ccccc1[C@H](CC[NH3+])COc1ccccc1 ZINC000076660541 177048558 /nfs/dbraw/zinc/04/85/58/177048558.db2.gz VATKZVDPGQTKKP-OAHLLOKOSA-N 1 0 255.361 3.506 10 0 CHAERO Cc1ccc([C@H](CC[NH3+])COc2ccccc2)cc1 ZINC000076660496 177048677 /nfs/dbraw/zinc/04/86/77/177048677.db2.gz LRGLXEKCBYGFOI-MRXNPFEDSA-N 1 0 255.361 3.506 10 0 CHAERO CC(C)Cc1ccc([C@H](CC[NH3+])c2ccco2)cc1 ZINC000076664965 177050703 /nfs/dbraw/zinc/05/07/03/177050703.db2.gz PZCDOFBUZBPLME-INIZCTEOSA-N 1 0 257.377 3.959 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccccc1)c1ccc(F)cc1 ZINC000076664600 177050781 /nfs/dbraw/zinc/05/07/81/177050781.db2.gz MODOICLDGSKOCR-MRXNPFEDSA-N 1 0 257.352 3.891 10 0 CHAERO CC[NH2+][C@@H](C)c1csc(N(C)c2ccccc2)n1 ZINC000076786981 177093776 /nfs/dbraw/zinc/09/37/76/177093776.db2.gz XFSQPODQDBNFEE-NSHDSACASA-N 1 0 261.394 3.582 10 0 CHAERO CCc1ccc(Oc2ccc(CC[NH2+]C)cc2)cc1 ZINC000077610697 177286956 /nfs/dbraw/zinc/28/69/56/177286956.db2.gz APXCLBHTWKRGJP-UHFFFAOYSA-N 1 0 255.361 3.803 10 0 CHAERO Cc1ccc(C)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171645997 335073194 /nfs/dbraw/zinc/07/31/94/335073194.db2.gz MCSZQQNTNGTOJK-QGZVFWFLSA-N 1 0 295.430 3.632 10 0 CHAERO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000171652036 335073393 /nfs/dbraw/zinc/07/33/93/335073393.db2.gz NJFMGKZONQSLSR-IRXDYDNUSA-N 1 0 295.430 3.885 10 0 CHAERO Cc1cccc(C2CC([NH2+]C[C@H](O)c3ccccc3)C2)c1 ZINC000036846435 260040530 /nfs/dbraw/zinc/04/05/30/260040530.db2.gz YUYBYVYRFUJUSR-ACBHZAAOSA-N 1 0 281.399 3.564 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000037166845 260072244 /nfs/dbraw/zinc/07/22/44/260072244.db2.gz NNPWUKPMONCAKU-GOEBONIOSA-N 1 0 292.492 3.789 10 0 CHAERO CCCC1(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)CCC1 ZINC000186419468 260080584 /nfs/dbraw/zinc/08/05/84/260080584.db2.gz KETAEHOPKWLINB-CVEARBPZSA-N 1 0 295.467 3.521 10 0 CHAERO c1ccc2c(c1)CCc1ccccc1C2[NH2+][C@@H]1CCCOC1 ZINC000180491779 260103633 /nfs/dbraw/zinc/10/36/33/260103633.db2.gz DBFGMNVATROZDF-QGZVFWFLSA-N 1 0 293.410 3.643 10 0 CHAERO Cc1ccc([C@H]([NH2+][C@@H](C)CO)c2ccccc2Cl)cc1 ZINC000180651201 260107251 /nfs/dbraw/zinc/10/72/51/260107251.db2.gz QQRIALKWYCUFSI-GUYCJALGSA-N 1 0 289.806 3.708 10 0 CHAERO CCc1ncc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000037924152 260120637 /nfs/dbraw/zinc/12/06/37/260120637.db2.gz ZUKURQVWOPSPAZ-VIFPVBQESA-N 1 0 282.359 3.835 10 0 CHAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000089216474 260130650 /nfs/dbraw/zinc/13/06/50/260130650.db2.gz ARLBQEPHTNVVRD-WOPDTQHZSA-N 1 0 286.872 3.781 10 0 CHAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1ncc[nH]1 ZINC000221159014 260133108 /nfs/dbraw/zinc/13/31/08/260133108.db2.gz XGFLTZABWVQGBE-JMSVASOKSA-N 1 0 255.365 3.699 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C)sc1Br ZINC000307290993 260136937 /nfs/dbraw/zinc/13/69/37/260136937.db2.gz BCKVXXQORPNQIX-BWVDBABLSA-N 1 0 274.227 3.878 10 0 CHAERO [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000070148759 260152520 /nfs/dbraw/zinc/15/25/20/260152520.db2.gz ODCYCXGCNUMCMO-KRWDZBQOSA-N 1 0 268.404 3.543 10 0 CHAERO CCC1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000311551219 260253194 /nfs/dbraw/zinc/25/31/94/260253194.db2.gz ASJBEXIGVDNXFY-IFWUJCSASA-N 1 0 279.346 3.655 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c1 ZINC000091012000 260264713 /nfs/dbraw/zinc/26/47/13/260264713.db2.gz DXLPTLLOZXUEPH-HNNXBMFYSA-N 1 0 286.419 3.715 10 0 CHAERO CCn1cccc1C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000091024682 260265088 /nfs/dbraw/zinc/26/50/88/260265088.db2.gz JNUSEZDUCZRWHQ-GFCCVEGCSA-N 1 0 276.355 3.507 10 0 CHAERO CCn1cccc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000091022305 260265170 /nfs/dbraw/zinc/26/51/70/260265170.db2.gz VIQVMIPRTAONSW-UHFFFAOYSA-N 1 0 282.309 3.817 10 0 CHAERO Cc1ccc([C@H](C)N[C@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000093515058 260289960 /nfs/dbraw/zinc/28/99/60/260289960.db2.gz WAJGXICZEYNPMR-SNPRPXQTSA-N 1 0 264.413 3.549 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cccc(Cl)c1F)CC2 ZINC000093586023 260293618 /nfs/dbraw/zinc/29/36/18/260293618.db2.gz AEZIEECRMWVNBU-CZUORRHYSA-N 1 0 297.801 3.606 10 0 CHAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H]([NH3+])c1ccccc1 ZINC000130060689 260392168 /nfs/dbraw/zinc/39/21/68/260392168.db2.gz KASDETJVKDTFKL-ABAIWWIYSA-N 1 0 288.778 3.615 10 0 CHAERO CCCC[C@H](CC)CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130312011 260395514 /nfs/dbraw/zinc/39/55/14/260395514.db2.gz NMQAPUWDZLOTNK-VYDXJSESSA-N 1 0 290.451 3.655 10 0 CHAERO CC1(C)CCC[N@H+](Cc2cccc3c2NCC3)CC1 ZINC000130571609 260397317 /nfs/dbraw/zinc/39/73/17/260397317.db2.gz WVHYOCROOILHIA-UHFFFAOYSA-N 1 0 258.409 3.667 10 0 CHAERO Cc1ncsc1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000161618637 261099463 /nfs/dbraw/zinc/09/94/63/261099463.db2.gz LKFSIYHXFDBZAZ-ZDUSSCGKSA-N 1 0 288.416 3.844 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000300410906 261199100 /nfs/dbraw/zinc/19/91/00/261199100.db2.gz KPPMYTAASKKRIL-CWRNSKLLSA-N 1 0 281.827 3.932 10 0 CHAERO CC(C)[N@H+](Cc1nc(-c2ccoc2)no1)C1CCCCC1 ZINC000105608976 261312666 /nfs/dbraw/zinc/31/26/66/261312666.db2.gz NXIBLGUTJFWMOX-UHFFFAOYSA-N 1 0 289.379 3.873 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccc1Cl ZINC000177359074 261350378 /nfs/dbraw/zinc/35/03/78/261350378.db2.gz LYKYDQQBPHHLSU-ZOWXZIJZSA-N 1 0 267.800 3.542 10 0 CHAERO C[C@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)c1cnn(C)c1 ZINC000183092528 261477417 /nfs/dbraw/zinc/47/74/17/261477417.db2.gz ISLHYKLEOLBKCS-SUMWQHHRSA-N 1 0 283.419 3.784 10 0 CHAERO C[C@H]([NH3+])c1ccc(NC(=O)C[C@H](C)C(C)(C)C)cc1 ZINC000111646058 261532030 /nfs/dbraw/zinc/53/20/30/261532030.db2.gz DBRQOJXVBSUHPV-RYUDHWBXSA-N 1 0 262.397 3.717 10 0 CHAERO COc1ccc([C@H](C)C[NH2+][C@@H](C)CC(C)(C)OC)cc1 ZINC000182478083 261940020 /nfs/dbraw/zinc/94/00/20/261940020.db2.gz XJIMKCBNSDOUBL-KGLIPLIRSA-N 1 0 279.424 3.592 10 0 CHAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(F)F)cc2)cn1 ZINC000183936912 262000386 /nfs/dbraw/zinc/00/03/86/262000386.db2.gz BOEPPFIMVYKCJJ-OAHLLOKOSA-N 1 0 291.345 3.695 10 0 CHAERO COc1ccccc1[C@H](C)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000120421341 262194785 /nfs/dbraw/zinc/19/47/85/262194785.db2.gz ONIOWKCRVIAHAW-MAUKXSAKSA-N 1 0 298.430 3.649 10 0 CHAERO COc1cccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000120423147 262194814 /nfs/dbraw/zinc/19/48/14/262194814.db2.gz BJYIBGHREVFTAS-HNAYVOBHSA-N 1 0 298.430 3.649 10 0 CHAERO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc(C)c1 ZINC000311401707 262248109 /nfs/dbraw/zinc/24/81/09/262248109.db2.gz HLWGEAGOQTYPQL-IXDOHACOSA-N 1 0 261.409 3.587 10 0 CHAERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(C)c1 ZINC000311401708 262248275 /nfs/dbraw/zinc/24/82/75/262248275.db2.gz HLWGEAGOQTYPQL-ULQDDVLXSA-N 1 0 261.409 3.587 10 0 CHAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000186937466 262330823 /nfs/dbraw/zinc/33/08/23/262330823.db2.gz MFUPIIXOQKVVOT-IUCAKERBSA-N 1 0 289.192 3.678 10 0 CHAERO C[C@@H](CO)[C@@H](C)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000125415040 264007753 /nfs/dbraw/zinc/00/77/53/264007753.db2.gz ZRFQIUOAMPAGBS-VHSXEESVSA-N 1 0 298.308 3.682 10 0 CHAERO CC(C)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114481590 266296756 /nfs/dbraw/zinc/29/67/56/266296756.db2.gz SHISKQRDDSNOGO-OAHLLOKOSA-N 1 0 269.392 3.665 10 0 CHAERO CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2cccs2)CC1 ZINC000168408782 266665315 /nfs/dbraw/zinc/66/53/15/266665315.db2.gz ZJZWFMVJVBUIJZ-QWHCGFSZSA-N 1 0 266.454 3.741 10 0 CHAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCSc1ccccc1 ZINC000117883787 267223844 /nfs/dbraw/zinc/22/38/44/267223844.db2.gz AHYYBXBLGXSPJQ-INIZCTEOSA-N 1 0 287.432 3.729 10 0 CHAERO Cc1csc(C2CC[NH+](C3CCCC3)CC2)n1 ZINC000120136709 267385182 /nfs/dbraw/zinc/38/51/82/267385182.db2.gz SELRRCJPVTVHHQ-UHFFFAOYSA-N 1 0 250.411 3.574 10 0 CHAERO Cc1cc(OCC[NH2+][C@@H](C)[C@H]2CCCO2)ccc1C(C)C ZINC000047943964 327944510 /nfs/dbraw/zinc/94/45/10/327944510.db2.gz YDEKWLOOFHUYNQ-MAUKXSAKSA-N 1 0 291.435 3.654 10 0 CHAERO Cc1cccc(N[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000040671078 328015369 /nfs/dbraw/zinc/01/53/69/328015369.db2.gz SYHINSUOPOFZBD-LJQANCHMSA-N 1 0 280.415 3.724 10 0 CHAERO c1ccc([C@H]2CCCC[C@H]2[NH2+]CC2CCOCC2)cc1 ZINC000111157427 328328304 /nfs/dbraw/zinc/32/83/04/328328304.db2.gz AIZWPHMERNIPGU-QZTJIDSGSA-N 1 0 273.420 3.729 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)C(C)C ZINC000049126809 328341364 /nfs/dbraw/zinc/34/13/64/328341364.db2.gz ABBZFGCAGPNIBH-DZGCQCFKSA-N 1 0 277.408 3.933 10 0 CHAERO CCn1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000050539353 328442386 /nfs/dbraw/zinc/44/23/86/328442386.db2.gz OSEZIEPYBUQRFW-ZZFFKQLHSA-N 1 0 287.451 3.598 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCOC1)c1c(Cl)ccc(F)c1Cl ZINC000109543511 326858453 /nfs/dbraw/zinc/85/84/53/326858453.db2.gz JEMHKUOHDASMNE-IUCAKERBSA-N 1 0 292.181 3.962 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCOC(F)F ZINC000398117108 326871797 /nfs/dbraw/zinc/87/17/97/326871797.db2.gz AQCNXGNUTNVXJV-VXGBXAGGSA-N 1 0 263.372 3.810 10 0 CHAERO Clc1csc(CN2CC[NH2+]CC23CCCCC3)c1 ZINC000093096186 326930423 /nfs/dbraw/zinc/93/04/23/326930423.db2.gz SDSFIZXHPHMBEE-UHFFFAOYSA-N 1 0 284.856 3.510 10 0 CHAERO CC(C)C(C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000556413565 326940221 /nfs/dbraw/zinc/94/02/21/326940221.db2.gz NVSUDBNPRFLBKL-QDMKHBRRSA-N 1 0 255.446 3.708 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1Cl ZINC000148754059 326998140 /nfs/dbraw/zinc/99/81/40/326998140.db2.gz QKHACGMJYRFGAE-KCPJHIHWSA-N 1 0 267.800 3.684 10 0 CHAERO COc1ccc([C@H](C)Nc2cccnc2C)cc1F ZINC000091495279 327102637 /nfs/dbraw/zinc/10/26/37/327102637.db2.gz URWKISASPLSBCH-JTQLQIEISA-N 1 0 260.312 3.711 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CCc2ccccc2C)c1C ZINC000094182939 327146852 /nfs/dbraw/zinc/14/68/52/327146852.db2.gz RQLGHRQXYZTBOD-CQSZACIVSA-N 1 0 285.435 3.722 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000381198308 327148200 /nfs/dbraw/zinc/14/82/00/327148200.db2.gz AOHBPMRGZUQVHT-NOZJJQNGSA-N 1 0 258.192 3.924 10 0 CHAERO CCCn1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000091008950 327165100 /nfs/dbraw/zinc/16/51/00/327165100.db2.gz YYEMXBHFXWIEJN-UHFFFAOYSA-N 1 0 272.436 3.957 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000300414413 332814709 /nfs/dbraw/zinc/81/47/09/332814709.db2.gz LJXWVKPDUXSXNG-JMSVASOKSA-N 1 0 263.381 3.543 10 0 CHAERO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000393641916 329088168 /nfs/dbraw/zinc/08/81/68/329088168.db2.gz XXOGXPUEUDBZLK-KKUMJFAQSA-N 1 0 269.473 3.978 10 0 CHAERO CCCCC[C@@H](C)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000173030846 329142446 /nfs/dbraw/zinc/14/24/46/329142446.db2.gz CQUMESNIYWKXDN-MRXNPFEDSA-N 1 0 294.483 3.680 10 0 CHAERO CCc1ccc([C@H]2CCCCN2Cc2ncc(C)o2)o1 ZINC000173796697 329152406 /nfs/dbraw/zinc/15/24/06/329152406.db2.gz PELZTYKQGSBLQM-CQSZACIVSA-N 1 0 274.364 3.866 10 0 CHAERO C[N@@H+]1Cc2ccc(N[C@@H]3CCc4ccc(F)cc43)cc2C1 ZINC000175000502 329162012 /nfs/dbraw/zinc/16/20/12/329162012.db2.gz FVONIUOWDMPARJ-GOSISDBHSA-N 1 0 282.362 3.871 10 0 CHAERO C[N@@H+]1Cc2ccc(N[C@H]3CCc4ccc(F)cc43)cc2C1 ZINC000175000523 329162035 /nfs/dbraw/zinc/16/20/35/329162035.db2.gz FVONIUOWDMPARJ-SFHVURJKSA-N 1 0 282.362 3.871 10 0 CHAERO COCc1cccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000179219373 329206188 /nfs/dbraw/zinc/20/61/88/329206188.db2.gz DJOREAQRQQKVAX-MRXNPFEDSA-N 1 0 271.360 3.763 10 0 CHAERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cccs1 ZINC000180397122 329215809 /nfs/dbraw/zinc/21/58/09/329215809.db2.gz HPWZMNNXGDAPND-AAEUAGOBSA-N 1 0 286.400 3.525 10 0 CHAERO Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000180160409 329218336 /nfs/dbraw/zinc/21/83/36/329218336.db2.gz WQSUCRLSDUHQEG-INIZCTEOSA-N 1 0 273.355 3.584 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCCO1 ZINC000180791857 329223163 /nfs/dbraw/zinc/22/31/63/329223163.db2.gz PBDBXPVVIIEXJP-CJNGLKHVSA-N 1 0 287.359 3.729 10 0 CHAERO OC[C@H]1C[N@H+](CCCC2CCCC2)C[C@H]1c1ccsc1 ZINC000188097541 329364235 /nfs/dbraw/zinc/36/42/35/329364235.db2.gz UQNAKQHFTGDCJF-SJORKVTESA-N 1 0 293.476 3.726 10 0 CHAERO CC(C)=CC[NH2+][C@H](c1ccncc1)c1ccc(F)cc1 ZINC000188460347 329369115 /nfs/dbraw/zinc/36/91/15/329369115.db2.gz WMNMWCSMNBGZIX-KRWDZBQOSA-N 1 0 270.351 3.866 10 0 CHAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000063191944 329373851 /nfs/dbraw/zinc/37/38/51/329373851.db2.gz OLUXBFPZVRAKRP-QMTHXVAHSA-N 1 0 287.234 3.695 10 0 CHAERO Cc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)s1 ZINC000188952685 329376085 /nfs/dbraw/zinc/37/60/85/329376085.db2.gz ZHJQEMMCOJGETI-HNNXBMFYSA-N 1 0 273.401 3.978 10 0 CHAERO Cc1nc([C@@H]2CCC[N@H+]2CC2(O)CCC(C)CC2)cs1 ZINC000189752635 329387842 /nfs/dbraw/zinc/38/78/42/329387842.db2.gz YTZBFERSEUFMBB-NRAUKZCXSA-N 1 0 294.464 3.530 10 0 CHAERO C(=C/c1ccccc1)\C[NH+]1CCC(Nc2nccs2)CC1 ZINC000189956013 329390862 /nfs/dbraw/zinc/39/08/62/329390862.db2.gz IXHPPQBFLWAIAR-QPJJXVBHSA-N 1 0 299.443 3.733 10 0 CHAERO CCCC[C@H](CC)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000117250784 329545910 /nfs/dbraw/zinc/54/59/10/329545910.db2.gz YWGQFZHWEFJLQE-INIZCTEOSA-N 1 0 294.483 3.680 10 0 CHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2sc(C(C)C)nc2C)C1 ZINC000133008432 329650303 /nfs/dbraw/zinc/65/03/03/329650303.db2.gz YAJGUPLJKGGFJJ-GXTWGEPZSA-N 1 0 295.496 3.710 10 0 CHAERO Cn1nccc1C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000195504464 329693451 /nfs/dbraw/zinc/69/34/51/329693451.db2.gz CEBRGYXUPFYQKC-LJQANCHMSA-N 1 0 295.430 3.677 10 0 CHAERO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000396645158 329694831 /nfs/dbraw/zinc/69/48/31/329694831.db2.gz OFNPFFFTOAUTGV-ZLKJLUDKSA-N 1 0 296.867 3.607 10 0 CHAERO CC[C@H](C)[C@@H](C)[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000246321713 329830838 /nfs/dbraw/zinc/83/08/38/329830838.db2.gz FIZNYGDWIBAFQG-LOWVWBTDSA-N 1 0 265.401 3.668 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000247140165 329876656 /nfs/dbraw/zinc/87/66/56/329876656.db2.gz QUKNLSQTSWLXEI-MJXNMMHHSA-N 1 0 281.399 3.558 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cc(F)c(F)c(F)c1 ZINC000248142483 329887779 /nfs/dbraw/zinc/88/77/79/329887779.db2.gz PUCNXLQYCLZXQK-XTBZUSCZSA-N 1 0 299.336 3.568 10 0 CHAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248705462 329897412 /nfs/dbraw/zinc/89/74/12/329897412.db2.gz ATFRUTRMGGLQIR-JCKWVBRZSA-N 1 0 289.419 3.612 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(F)ccc1F ZINC000248853833 329900765 /nfs/dbraw/zinc/90/07/65/329900765.db2.gz PCVOLPPWRCANDD-OWRWGESLSA-N 1 0 281.346 3.573 10 0 CHAERO CC(C)C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccn1 ZINC000248905173 329902320 /nfs/dbraw/zinc/90/23/20/329902320.db2.gz UUOFKKSCTXYXFI-BPQIPLTHSA-N 1 0 288.435 3.716 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000252716158 329945570 /nfs/dbraw/zinc/94/55/70/329945570.db2.gz XSUAYCMUAWSDDW-ZHAHWJHGSA-N 1 0 253.798 3.875 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1ccco1 ZINC000379615234 330141678 /nfs/dbraw/zinc/14/16/78/330141678.db2.gz AKTAEYQPGUCCGF-FUHWJXTLSA-N 1 0 298.430 3.985 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CC=CCC2)c1C ZINC000527980206 330298132 /nfs/dbraw/zinc/29/81/32/330298132.db2.gz HCSCSZFVEHWCMT-CZUORRHYSA-N 1 0 275.440 3.917 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)c1C ZINC000045168421 330340609 /nfs/dbraw/zinc/34/06/09/330340609.db2.gz NJECJPGNXLFYAN-ZIAGYGMSSA-N 1 0 285.435 3.974 10 0 CHAERO CCC[C@](C)([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270157 330364083 /nfs/dbraw/zinc/36/40/83/330364083.db2.gz HLWVGRPLTQNZTP-JPVQUXCTSA-N 1 0 289.423 3.511 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1c(Cl)ccc(F)c1Cl ZINC000120345296 330387029 /nfs/dbraw/zinc/38/70/29/330387029.db2.gz UPQAGJCVDVQEHG-DKCNOQQISA-N 1 0 292.181 3.961 10 0 CHAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C)cc1 ZINC000120431093 330388769 /nfs/dbraw/zinc/38/87/69/330388769.db2.gz MQJZKZTXSLNENJ-OAHLLOKOSA-N 1 0 296.414 3.847 10 0 CHAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000121381693 330399776 /nfs/dbraw/zinc/39/97/76/330399776.db2.gz RDTNBEUCIGWYAO-OLZOCXBDSA-N 1 0 296.842 3.638 10 0 CHAERO Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000123228142 330456875 /nfs/dbraw/zinc/45/68/75/330456875.db2.gz VQCSUUZATHMKTO-KBRIMQKVSA-N 1 0 260.425 3.940 10 0 CHAERO CCCn1cc(C[NH2+][C@@H]2CCCc3c(F)cccc32)cn1 ZINC000449352987 330917888 /nfs/dbraw/zinc/91/78/88/330917888.db2.gz XNQVZEMLSNJOCP-QGZVFWFLSA-N 1 0 287.382 3.599 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)CC2 ZINC000163848083 331134654 /nfs/dbraw/zinc/13/46/54/331134654.db2.gz XNHDAEWMODBXKS-UXHICEINSA-N 1 0 294.442 3.875 10 0 CHAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000195099650 331137843 /nfs/dbraw/zinc/13/78/43/331137843.db2.gz JCQODJYSSWOTAP-XOKHGSTOSA-N 1 0 273.420 3.715 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1C ZINC000164896253 331305322 /nfs/dbraw/zinc/30/53/22/331305322.db2.gz OCMIGGROQMUDMA-FZMZJTMJSA-N 1 0 263.429 3.749 10 0 CHAERO C[C@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000167295421 331308261 /nfs/dbraw/zinc/30/82/61/331308261.db2.gz CUSHFUXKCNJMKC-ZFWZSOMGSA-N 1 0 280.209 3.995 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000466408750 331395489 /nfs/dbraw/zinc/39/54/89/331395489.db2.gz IFRLCBXWQQDKIM-QWRGUYRKSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2cccc(Cl)c2F)C[C@H](C)O1 ZINC000466408403 331395566 /nfs/dbraw/zinc/39/55/66/331395566.db2.gz FWUPQSZOHONGNL-QWRGUYRKSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2ccccc2Cl)C[C@@H](C)O1 ZINC000466424907 331396463 /nfs/dbraw/zinc/39/64/63/331396463.db2.gz JWPZZCZHAORNOF-VXGBXAGGSA-N 1 0 267.800 3.633 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+]C1CCC2(CC2)CC1 ZINC000488449171 332010191 /nfs/dbraw/zinc/01/01/91/332010191.db2.gz NKWCZMLQHBTXJW-HNNXBMFYSA-N 1 0 273.420 3.904 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+]C1CCC2(CC2)CC1 ZINC000488449172 332010239 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OC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000219028230 333140430 /nfs/dbraw/zinc/14/04/30/333140430.db2.gz JYEQPHYIBQIGDC-BXUZGUMPSA-N 1 0 288.218 3.634 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000223254843 333206026 /nfs/dbraw/zinc/20/60/26/333206026.db2.gz CNARVCNUNSVFNU-IRXDYDNUSA-N 1 0 275.436 3.873 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000224984061 333228290 /nfs/dbraw/zinc/22/82/90/333228290.db2.gz GCEKWJGGOLWWGW-CHWSQXEVSA-N 1 0 284.394 3.592 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)C1 ZINC000227187624 333277933 /nfs/dbraw/zinc/27/79/33/333277933.db2.gz YXCKZZCHCUZJQX-OWCLPIDISA-N 1 0 276.424 3.585 10 0 CHAERO Cc1ccccc1[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1ccccc1 ZINC000228066012 333294208 /nfs/dbraw/zinc/29/42/08/333294208.db2.gz JNQYAMPFNFZQSK-GPMSIDNRSA-N 1 0 283.415 3.833 10 0 CHAERO CCCCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000250009801 333301085 /nfs/dbraw/zinc/30/10/85/333301085.db2.gz KHEAGYFOPCVKNZ-GRDNDAEWSA-N 1 0 261.409 3.857 10 0 CHAERO CCCCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000250009808 333301177 /nfs/dbraw/zinc/30/11/77/333301177.db2.gz KHEAGYFOPCVKNZ-ZQIUZPCESA-N 1 0 261.409 3.857 10 0 CHAERO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000250127598 333302756 /nfs/dbraw/zinc/30/27/56/333302756.db2.gz DUQYTGMESSDQFC-VBNZEHGJSA-N 1 0 287.403 3.949 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000250228596 333303618 /nfs/dbraw/zinc/30/36/18/333303618.db2.gz FUXJYNSWTXNADB-WBVHZDCISA-N 1 0 290.451 3.609 10 0 CHAERO [NH3+]CC1(CC(=O)Nc2ccc(Cl)c(F)c2)CCCCC1 ZINC000229400674 333304584 /nfs/dbraw/zinc/30/45/84/333304584.db2.gz VETQLYBLBVXCPN-UHFFFAOYSA-N 1 0 298.789 3.717 10 0 CHAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000230047600 333312490 /nfs/dbraw/zinc/31/24/90/333312490.db2.gz TVRAGGVLGDAMTF-VZJVUDMVSA-N 1 0 299.245 3.553 10 0 CHAERO CCN1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233491814 333352914 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O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1csc2ccccc12 ZINC000077205299 334098304 /nfs/dbraw/zinc/09/83/04/334098304.db2.gz DQFWLHUIPKCDEL-IUODEOHRSA-N 1 0 275.417 3.542 10 0 CHAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000136141745 334148059 /nfs/dbraw/zinc/14/80/59/334148059.db2.gz CBSLYEHTGGNMHY-KBXCAEBGSA-N 1 0 288.435 3.519 10 0 CHAERO Cc1cc(Cl)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000136182075 334149156 /nfs/dbraw/zinc/14/91/56/334149156.db2.gz WTTUUIBCFGSJIY-UHFFFAOYSA-N 1 0 289.810 3.751 10 0 CHAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137080195 334169448 /nfs/dbraw/zinc/16/94/48/334169448.db2.gz JARAJVVAYQJPDQ-WRWORJQWSA-N 1 0 274.589 3.601 10 0 CHAERO C[C@@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000246987454 334273301 /nfs/dbraw/zinc/27/33/01/334273301.db2.gz FVNUEDUDGRJIID-IRXDYDNUSA-N 1 0 295.430 3.619 10 0 CHAERO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247157247 334276678 /nfs/dbraw/zinc/27/66/78/334276678.db2.gz UARMBAMGVUSYJA-QJPTWQEYSA-N 1 0 267.335 3.512 10 0 CHAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247118907 334275894 /nfs/dbraw/zinc/27/58/94/334275894.db2.gz AIUBQZJUZUBKTQ-MRRJBJDNSA-N 1 0 295.373 3.653 10 0 CHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000246583735 334264610 /nfs/dbraw/zinc/26/46/10/334264610.db2.gz YUQUBJCZKCFXNY-KKUMJFAQSA-N 1 0 292.471 3.521 10 0 CHAERO CC(C)=CC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246750695 334268949 /nfs/dbraw/zinc/26/89/49/334268949.db2.gz QBJWFOQNQUQZLZ-GJZGRUSLSA-N 1 0 299.336 3.779 10 0 CHAERO Cc1cccc([C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000247990468 334292936 /nfs/dbraw/zinc/29/29/36/334292936.db2.gz JIRLBZUEYUNEGE-RYQLBKOJSA-N 1 0 273.420 3.683 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@@H+]([C@H]1CCCc3ccccc31)CC2 ZINC000248072850 334294324 /nfs/dbraw/zinc/29/43/24/334294324.db2.gz MRHFDSNUDLUIML-WDSOQIARSA-N 1 0 285.431 3.691 10 0 CHAERO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248130021 334295425 /nfs/dbraw/zinc/29/54/25/334295425.db2.gz OICYNJLSJIXJRK-KURKYZTESA-N 1 0 273.420 3.765 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](CC)C2)C12CCOCC2 ZINC000249043265 334325521 /nfs/dbraw/zinc/32/55/21/334325521.db2.gz VNFQMGCYXQFCOZ-VVLHAWIVSA-N 1 0 295.467 3.519 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc2ccccc2c1 ZINC000249337098 334332124 /nfs/dbraw/zinc/33/21/24/334332124.db2.gz QZNIODLKGFNLAC-DOPJRALCSA-N 1 0 269.388 3.794 10 0 CHAERO COC[C@@H](C)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000249463509 334334418 /nfs/dbraw/zinc/33/44/18/334334418.db2.gz GCBDUYKDGHIUGT-KBPBESRZSA-N 1 0 296.480 3.728 10 0 CHAERO Clc1cnccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000088781185 334341474 /nfs/dbraw/zinc/34/14/74/334341474.db2.gz RVRRSCJOQBBFTF-HNNXBMFYSA-N 1 0 258.752 3.512 10 0 CHAERO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCOc2ccccc21 ZINC000252101313 334373769 /nfs/dbraw/zinc/37/37/69/334373769.db2.gz GHXVJLJAGPWIML-NFAWXSAZSA-N 1 0 259.393 3.925 10 0 CHAERO O[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000252858981 334397582 /nfs/dbraw/zinc/39/75/82/334397582.db2.gz JBPNEEDJDCYQIF-RRFJBIMHSA-N 1 0 277.433 3.507 10 0 CHAERO CC(C)[C@@H](C)[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000154357989 334693215 /nfs/dbraw/zinc/69/32/15/334693215.db2.gz IYXVSKRKJCFTPP-IUODEOHRSA-N 1 0 259.397 3.894 10 0 CHAERO C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c2ccsc2S1 ZINC000268869350 334717678 /nfs/dbraw/zinc/71/76/78/334717678.db2.gz IISWCORYOCJJDC-MVWJERBFSA-N 1 0 285.478 3.670 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccccc32)CCO1 ZINC000272179248 334750002 /nfs/dbraw/zinc/75/00/02/334750002.db2.gz YPXUTEYNPIZEBE-WBOJAVRRSA-N 1 0 259.393 3.782 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000157199432 334763182 /nfs/dbraw/zinc/76/31/82/334763182.db2.gz WEBBEEWHLXUNQA-CQSZACIVSA-N 1 0 271.408 3.797 10 0 CHAERO CCn1c(C)nnc1C[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000179908176 335531228 /nfs/dbraw/zinc/53/12/28/335531228.db2.gz GEWRIHFFQUFJSF-AWEZNQCLSA-N 1 0 280.460 3.547 10 0 CHAERO CCC[C@@H](C)C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000179979629 335537682 /nfs/dbraw/zinc/53/76/82/335537682.db2.gz NYIMBJGELLTLPL-CQSZACIVSA-N 1 0 263.429 3.519 10 0 CHAERO Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1Cl ZINC000194642081 336035149 /nfs/dbraw/zinc/03/51/49/336035149.db2.gz KLJFDCJFTPPJPW-HNNXBMFYSA-N 1 0 289.810 3.510 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC000385264490 336143192 /nfs/dbraw/zinc/14/31/92/336143192.db2.gz YYZTWSDTRLDPPC-KZNAEPCWSA-N 1 0 277.452 3.892 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC23CCCC3)c1C ZINC000387162303 336186866 /nfs/dbraw/zinc/18/68/66/336186866.db2.gz RIVAYRZPHKIBOE-FZMZJTMJSA-N 1 0 261.413 3.503 10 0 CHAERO CC(C)CCCOCc1csc(C[NH2+]CC(C)C)n1 ZINC000052630159 519642918 /nfs/dbraw/zinc/64/29/18/519642918.db2.gz FOLGDORQQOEVHT-UHFFFAOYSA-N 1 0 284.469 3.842 10 0 CHAERO CC(C)[NH2+]C[C@H](OC[C@H]1CC=CC[C@H]1C)C(C)C ZINC000052632287 519724820 /nfs/dbraw/zinc/72/48/20/519724820.db2.gz MXLLEUKRVJXWBL-OAGGEKHMSA-N 1 0 253.430 3.628 10 0 CHAERO CCC[NH2+]C[C@@H](Cc1ccc(OC)c(F)c1)C(C)C ZINC000052971809 519921100 /nfs/dbraw/zinc/92/11/00/519921100.db2.gz GEZMTAKPRSCYEJ-CQSZACIVSA-N 1 0 267.388 3.649 10 0 CHAERO CCC[NH2+]C[C@@H](CC)N(Cc1cccs1)C(C)C ZINC000052544933 519921402 /nfs/dbraw/zinc/92/14/02/519921402.db2.gz OJASJWFHLGWYSL-CQSZACIVSA-N 1 0 268.470 3.737 10 0 CHAERO CC[NH2+]C[C@@H](C(C)C)N(C)C1CCC(CC)CC1 ZINC000052345509 519930397 /nfs/dbraw/zinc/93/03/97/519930397.db2.gz KAGMGHLNGXQMJO-GPANFISMSA-N 1 0 254.462 3.521 10 0 CHAERO CCC[NH2+]Cc1ccnc(Oc2ccc(F)cc2)c1 ZINC000051548170 519960243 /nfs/dbraw/zinc/96/02/43/519960243.db2.gz FYYHDZBCMLBONZ-UHFFFAOYSA-N 1 0 260.312 3.513 10 0 CHAERO CC[NH2+]Cc1csc(Cc2ccc(F)cc2Cl)n1 ZINC000062608584 520017848 /nfs/dbraw/zinc/01/78/48/520017848.db2.gz HEAPZFFLHQXXBR-UHFFFAOYSA-N 1 0 284.787 3.636 10 0 CHAERO CC[NH2+]Cc1sc(N2CCC[C@@H](C)C2)nc1C(C)(C)C ZINC000054995583 520032618 /nfs/dbraw/zinc/03/26/18/520032618.db2.gz BKMYHAQGAGHPKL-GFCCVEGCSA-N 1 0 295.496 3.786 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccccc2OCC)nc1C ZINC000062214318 520032914 /nfs/dbraw/zinc/03/29/14/520032914.db2.gz FEDOATNVCWIYBG-UHFFFAOYSA-N 1 0 276.405 3.627 10 0 CHAERO CC[NH2+][C@@H]1CCN(c2cccc(Cl)c2C)[C@H](C)C1 ZINC000049711958 520120625 /nfs/dbraw/zinc/12/06/25/520120625.db2.gz IQFQYJXQMLXATA-DGCLKSJQSA-N 1 0 266.816 3.615 10 0 CHAERO CCCCC[N@H+](C)Cc1nc(NCC)ccc1Cl ZINC000061631139 520152159 /nfs/dbraw/zinc/15/21/59/520152159.db2.gz CDBMTZZHGUZLRG-UHFFFAOYSA-N 1 0 269.820 3.789 10 0 CHAERO CC[NH2+][C@H](c1nc(C)c(C)s1)c1ccc(F)cc1C ZINC000050580441 520211309 /nfs/dbraw/zinc/21/13/09/520211309.db2.gz BIWNGMMSVFLJBO-AWEZNQCLSA-N 1 0 278.396 3.906 10 0 CHAERO CCNc1ccc(Cl)c(C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000061630596 520308508 /nfs/dbraw/zinc/30/85/08/520308508.db2.gz XLJXDIJNHZYRDR-TXEJJXNPSA-N 1 0 281.831 3.645 10 0 CHAERO CCCCc1ccc([C@@H]([NH2+]C)[C@@H]2CCCCO2)cc1 ZINC000050961554 521286368 /nfs/dbraw/zinc/28/63/68/521286368.db2.gz NUKILIQZUSSJHD-DLBZAZTESA-N 1 0 261.409 3.859 10 0 CHAERO CCCc1nc(N2CCCC[C@H]2C)sc1C[NH2+]CC ZINC000054995258 521530343 /nfs/dbraw/zinc/53/03/43/521530343.db2.gz OWPJAFFYEKJVJO-GFCCVEGCSA-N 1 0 281.469 3.584 10 0 CHAERO CCCN(c1nc(C)c(C[NH2+]CC(C)C)s1)C(C)C ZINC000054996811 521697734 /nfs/dbraw/zinc/69/77/34/521697734.db2.gz XUFFACLVJCBYNK-UHFFFAOYSA-N 1 0 283.485 3.822 10 0 CHAERO CC[C@@H](C[NH2+]C(C)(C)C)N(C)Cc1ccccc1C ZINC000052547039 522543694 /nfs/dbraw/zinc/54/36/94/522543694.db2.gz DDVNGPLLVRQHPX-INIZCTEOSA-N 1 0 262.441 3.594 10 0 CHAERO Cc1ccc(O[C@@H](c2ccccc2F)[C@H](C)[NH3+])cc1 ZINC000043047298 518189489 /nfs/dbraw/zinc/18/94/89/518189489.db2.gz OOKIMXSLNBHMAD-BLLLJJGKSA-N 1 0 259.324 3.601 10 0 CHAERO CC(C)(C)c1ccc(CN2CC(C)(C)[NH2+]CC2(C)C)cc1 ZINC000062705129 519027598 /nfs/dbraw/zinc/02/75/98/519027598.db2.gz ZBFIHHRNEMROKY-UHFFFAOYSA-N 1 0 288.479 3.947 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1Cc1ccc(Cl)cc1 ZINC000062671495 519273395 /nfs/dbraw/zinc/27/33/95/519273395.db2.gz SWEWGIZDSAMCLA-CZUORRHYSA-N 1 0 280.843 3.548 10 0 CHAERO CC(C)CCCOCc1occc1C[NH2+]C(C)C ZINC000052630219 519642757 /nfs/dbraw/zinc/64/27/57/519642757.db2.gz BGOFBRLFUFUDDU-UHFFFAOYSA-N 1 0 253.386 3.730 10 0 CHAERO CC(C)CCN(C)c1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2 ZINC000054898483 519651261 /nfs/dbraw/zinc/65/12/61/519651261.db2.gz HOWSIFFUAGHUJO-NSHDSACASA-N 1 0 281.469 3.598 10 0 CHAERO CC(C)[NH2+]CCC[C@H](C)Oc1ccccc1Cl ZINC000052664703 519721322 /nfs/dbraw/zinc/72/13/22/519721322.db2.gz COFMBUOPKPLAFD-LBPRGKRZSA-N 1 0 255.789 3.886 10 0 CHAERO CC(C)C[NH2+]C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(C)C ZINC000052631565 519746007 /nfs/dbraw/zinc/74/60/07/519746007.db2.gz DAZJIWBPIDUIPO-OAGGEKHMSA-N 1 0 255.446 3.852 10 0 CHAERO CC(C)C[NH2+]Cc1ccoc1COc1ccccc1 ZINC000052668180 519748199 /nfs/dbraw/zinc/74/81/99/519748199.db2.gz JNBSVLSINUHIOX-UHFFFAOYSA-N 1 0 259.349 3.604 10 0 CHAERO CC(C)[C@@H](C[NH+](C)C)NCc1c(Cl)cccc1Cl ZINC000049196611 519793625 /nfs/dbraw/zinc/79/36/25/519793625.db2.gz MLXYFJXTGGFPLR-CQSZACIVSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049195590 519814821 /nfs/dbraw/zinc/81/48/21/519814821.db2.gz VYIGZKOPCWLEHD-WFASDCNBSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)c1csc([C@]2([NH2+]C3CC3)CCCSC2)n1 ZINC000061590781 519857488 /nfs/dbraw/zinc/85/74/88/519857488.db2.gz QOKZNDLLLRXEJO-AWEZNQCLSA-N 1 0 282.478 3.741 10 0 CHAERO CCN(C(=[NH2+])Nc1ccccc1)c1ccc(C)cc1 ZINC000052046410 519897147 /nfs/dbraw/zinc/89/71/47/519897147.db2.gz GBMOAAYRECRJFL-UHFFFAOYSA-N 1 0 253.349 3.868 10 0 CHAERO CCC[NH2+]CCCc1cc(F)ccc1Br ZINC000052949172 519914232 /nfs/dbraw/zinc/91/42/32/519914232.db2.gz SUQJUJYRGRJTQL-UHFFFAOYSA-N 1 0 274.177 3.520 10 0 CHAERO CCC[NH2+]C[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000052699960 519921198 /nfs/dbraw/zinc/92/11/98/519921198.db2.gz GTTVLNPSVOMOLI-GFCCVEGCSA-N 1 0 255.789 3.724 10 0 CHAERO CCC[NH2+]Cc1cc(C)nc(-c2cccc(Cl)c2)n1 ZINC000054831300 519945605 /nfs/dbraw/zinc/94/56/05/519945605.db2.gz IJQJVEYBFMEMBP-UHFFFAOYSA-N 1 0 275.783 3.605 10 0 CHAERO CC[NH2+]C[C@@H](Cc1ccco1)Cc1cccc(Cl)c1 ZINC000062102918 519945859 /nfs/dbraw/zinc/94/58/59/519945859.db2.gz PPNHMNUUKQFHPN-CQSZACIVSA-N 1 0 277.795 3.944 10 0 CHAERO CCC[NH2+]Cc1sc(Cc2ccccc2)nc1C ZINC000052330458 519972892 /nfs/dbraw/zinc/97/28/92/519972892.db2.gz HVCILPBSQKVKRQ-UHFFFAOYSA-N 1 0 260.406 3.542 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCCCCC2)nc1CCC ZINC000054995617 519974795 /nfs/dbraw/zinc/97/47/95/519974795.db2.gz FBDQXZCTPMYJGZ-UHFFFAOYSA-N 1 0 295.496 3.976 10 0 CHAERO CC[NH2+]Cc1cc(F)ccc1N1CCC[C@@H](C)[C@@H]1C ZINC000050566062 519993340 /nfs/dbraw/zinc/99/33/40/519993340.db2.gz KJFZBOQUUPCXDM-OLZOCXBDSA-N 1 0 264.388 3.560 10 0 CHAERO CC[NH2+]Cc1cc(OC(C)(C)C)nc2ccccc12 ZINC000051527181 519993820 /nfs/dbraw/zinc/99/38/20/519993820.db2.gz VSWVBPWYEGYZDI-UHFFFAOYSA-N 1 0 258.365 3.522 10 0 CHAERO CC[NH2+]Cc1ccc(Oc2ccc(C)nc2)c(C)c1 ZINC000050562660 520001757 /nfs/dbraw/zinc/00/17/57/520001757.db2.gz AKNICCNIRZSVSK-UHFFFAOYSA-N 1 0 256.349 3.600 10 0 CHAERO CCC[NH2+][C@@H](c1ccccn1)c1cc(F)ccc1C ZINC000055223010 520017980 /nfs/dbraw/zinc/01/79/80/520017980.db2.gz ONPXEZNFDHCVTF-MRXNPFEDSA-N 1 0 258.340 3.618 10 0 CHAERO CCOCC[C@@H](C[NH2+]C(C)C)Cc1ccc(Cl)cc1 ZINC000052975349 520063950 /nfs/dbraw/zinc/06/39/50/520063950.db2.gz RWWPSFTYIPJHIL-OAHLLOKOSA-N 1 0 283.843 3.923 10 0 CHAERO CCC[NH2+][C@H](CC)CCCCOCC(F)(F)F ZINC000049312805 520067335 /nfs/dbraw/zinc/06/73/35/520067335.db2.gz KPTYNMJBKVPRGP-LLVKDONJSA-N 1 0 255.324 3.514 10 0 CHAERO CCC[NH2+][C@H](CC1CCOCC1)c1ccccc1F ZINC000062774973 520069910 /nfs/dbraw/zinc/06/99/10/520069910.db2.gz VFQIOQGBJOPRPR-MRXNPFEDSA-N 1 0 265.372 3.683 10 0 CHAERO CC[NH2+][C@@H](C)c1cnc(-c2ccccc2F)s1 ZINC000054159666 520079288 /nfs/dbraw/zinc/07/92/88/520079288.db2.gz QXXTVVJOXFVMDG-VIFPVBQESA-N 1 0 250.342 3.620 10 0 CHAERO CCCCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062664754 520080562 /nfs/dbraw/zinc/08/05/62/520080562.db2.gz UIECTYRNPOLRLD-DLBZAZTESA-N 1 0 268.489 3.911 10 0 CHAERO CC[NH2+][C@@H](CC)c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000054722334 520084910 /nfs/dbraw/zinc/08/49/10/520084910.db2.gz ONEFDQJKSALQNK-HNNXBMFYSA-N 1 0 277.799 3.645 10 0 CHAERO CCC[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(F)cc1C ZINC000055223670 520087145 /nfs/dbraw/zinc/08/71/45/520087145.db2.gz MLKZATFKEJIJQZ-GOEBONIOSA-N 1 0 265.372 3.744 10 0 CHAERO CCC[NH2+][C@H](Cc1csc(C)n1)c1cccs1 ZINC000055296139 520088820 /nfs/dbraw/zinc/08/88/20/520088820.db2.gz RCKKOJURPZFANW-GFCCVEGCSA-N 1 0 266.435 3.796 10 0 CHAERO CCC[NH2+][C@H]1CCCc2nc(N(CC)C3CC3)sc21 ZINC000054902892 520094504 /nfs/dbraw/zinc/09/45/04/520094504.db2.gz GNIHHWQZTCTRTF-LBPRGKRZSA-N 1 0 279.453 3.509 10 0 CHAERO CCC[NH2+][C@H]1CCC[C@H]1c1cc(Cl)ccc1OC ZINC000055232003 520094753 /nfs/dbraw/zinc/09/47/53/520094753.db2.gz FEQQTCXTSABUGC-JSGCOSHPSA-N 1 0 267.800 3.984 10 0 CHAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1n1ccnc1C ZINC000054555857 520096808 /nfs/dbraw/zinc/09/68/08/520096808.db2.gz OHQZAEZVFYMKDC-PMPSAXMXSA-N 1 0 263.429 3.557 10 0 CHAERO CCCCCCOc1cccc(C[NH2+]C(C)C)n1 ZINC000051541952 520108753 /nfs/dbraw/zinc/10/87/53/520108753.db2.gz GPQZIXOQKMDVNQ-UHFFFAOYSA-N 1 0 250.386 3.539 10 0 CHAERO CC[NH2+][C@@H](c1ccc(F)cc1C)c1ncccc1C ZINC000055227301 520110194 /nfs/dbraw/zinc/11/01/94/520110194.db2.gz DDADISBUCPRTBD-INIZCTEOSA-N 1 0 258.340 3.536 10 0 CHAERO CCCCCN(C)c1nc(CC)c(C[NH2+]C(C)C)s1 ZINC000054997048 520156014 /nfs/dbraw/zinc/15/60/14/520156014.db2.gz BZAYGHODGIPFNK-UHFFFAOYSA-N 1 0 283.485 3.830 10 0 CHAERO CCCCCN(c1ncc([C@H](C)[NH2+]C)s1)C(C)C ZINC000054908222 520176952 /nfs/dbraw/zinc/17/69/52/520176952.db2.gz RESPARUFERIRCP-LBPRGKRZSA-N 1 0 269.458 3.829 10 0 CHAERO CCOCc1c2ccccc2oc1C[NH2+]CC(C)C ZINC000052602772 520183841 /nfs/dbraw/zinc/18/38/41/520183841.db2.gz ZKTTWCBXFZIQDR-UHFFFAOYSA-N 1 0 261.365 3.715 10 0 CHAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000054456229 520202838 /nfs/dbraw/zinc/20/28/38/520202838.db2.gz LDOYSABIRIALJQ-CYBMUJFWSA-N 1 0 267.731 3.965 10 0 CHAERO CCN(C)c1cc(Br)ccc1C[NH2+]C(C)(C)C ZINC000062735042 520273298 /nfs/dbraw/zinc/27/32/98/520273298.db2.gz PLJJYMUWVHUTBY-UHFFFAOYSA-N 1 0 299.256 3.793 10 0 CHAERO CCCCC[C@@H](C)[NH2+]CCCOCC(F)(F)F ZINC000049312439 520287453 /nfs/dbraw/zinc/28/74/53/520287453.db2.gz CNCGUUWLFHSDIJ-LLVKDONJSA-N 1 0 255.324 3.514 10 0 CHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1cccnc1 ZINC000126156737 520417067 /nfs/dbraw/zinc/41/70/67/520417067.db2.gz XXYXCWSXFGSRRI-QGZVFWFLSA-N 1 0 266.388 3.885 10 0 CHAERO CCCOc1ccc([C@@H]([NH3+])c2nc(C)c(C)s2)cc1 ZINC000052920464 520418147 /nfs/dbraw/zinc/41/81/47/520418147.db2.gz KXEQFKCRFDRKPU-CQSZACIVSA-N 1 0 276.405 3.597 10 0 CHAERO CC1(C)C[N@H+](C2CCCCC2)[C@H](c2ccccc2)CN1 ZINC000062666537 520462287 /nfs/dbraw/zinc/46/22/87/520462287.db2.gz RZKHIBVQPJKSOM-KRWDZBQOSA-N 1 0 272.436 3.744 10 0 CHAERO CCCCN(CC)c1nc2c(s1)[C@@H]([NH2+]CC)CCC2 ZINC000054901643 520483924 /nfs/dbraw/zinc/48/39/24/520483924.db2.gz ZASRWLJLICOUJQ-LBPRGKRZSA-N 1 0 281.469 3.756 10 0 CHAERO CCCCN(CCCC)c1ncc(C[NH3+])cc1Cl ZINC000051396572 520497719 /nfs/dbraw/zinc/49/77/19/520497719.db2.gz KECAIYTWYSJIRO-UHFFFAOYSA-N 1 0 269.820 3.600 10 0 CHAERO CCCCN(c1nc(CC)c(C[NH3+])s1)[C@H](C)CC ZINC000055002474 520552165 /nfs/dbraw/zinc/55/21/65/520552165.db2.gz XXZPFIQOJRBJKP-LLVKDONJSA-N 1 0 269.458 3.569 10 0 CHAERO CCCC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705191 520599468 /nfs/dbraw/zinc/59/94/68/520599468.db2.gz WPCTVBRMUJORIU-OALUTQOASA-N 1 0 288.479 3.718 10 0 CHAERO CCC[C@@H](C)C[C@H](Cc1csc(C)n1)[NH2+]CC ZINC000055295782 520636766 /nfs/dbraw/zinc/63/67/66/520636766.db2.gz AYOPHFGWWLWDIO-DGCLKSJQSA-N 1 0 254.443 3.798 10 0 CHAERO CCOc1cc(C[NH2+][C@@H](C)c2cccs2)ccc1O ZINC000020148183 520728673 /nfs/dbraw/zinc/72/86/73/520728673.db2.gz UTSJNARINOLQKA-NSHDSACASA-N 1 0 277.389 3.703 10 0 CHAERO CCCCOCC[C@@H](C[NH2+]C)Cc1ccccc1Cl ZINC000052979557 520793857 /nfs/dbraw/zinc/79/38/57/520793857.db2.gz XPDXYGUDAZJRLK-CQSZACIVSA-N 1 0 283.843 3.925 10 0 CHAERO CCCC[C@@H](CC)C[C@H]([NH3+])Cc1csc(C)n1 ZINC000055294771 521037349 /nfs/dbraw/zinc/03/73/49/521037349.db2.gz YBKQFCUYAZVQIY-OLZOCXBDSA-N 1 0 254.443 3.928 10 0 CHAERO CCCC[C@@H](CC)C[C@@H]([NH3+])Cc1csc(C)n1 ZINC000055294773 521037249 /nfs/dbraw/zinc/03/72/49/521037249.db2.gz YBKQFCUYAZVQIY-CHWSQXEVSA-N 1 0 254.443 3.928 10 0 CHAERO CCCn1c(C(C)(C)[NH2+]C)nc2cccc(Cl)c21 ZINC000061149855 521620535 /nfs/dbraw/zinc/62/05/35/521620535.db2.gz PTGKSLKCKCQPAC-UHFFFAOYSA-N 1 0 265.788 3.554 10 0 CHAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2)C1 ZINC000054186857 521625747 /nfs/dbraw/zinc/62/57/47/521625747.db2.gz FHMZHNXPWPXXCK-CYBMUJFWSA-N 1 0 272.314 3.602 10 0 CHAERO CC[C@H](C)Oc1ncc(C[NH2+]C(C)(C)C)cc1Cl ZINC000051548471 521783060 /nfs/dbraw/zinc/78/30/60/521783060.db2.gz KPEDONPZSRNFJL-JTQLQIEISA-N 1 0 270.804 3.800 10 0 CHAERO COCC[C@@H](C[NH2+]C(C)C)Cc1ccc(Cl)cc1 ZINC000052975346 521804224 /nfs/dbraw/zinc/80/42/24/521804224.db2.gz GVNGEFFHAOWHPU-CQSZACIVSA-N 1 0 269.816 3.533 10 0 CHAERO C[NH2+]CC1(O[C@@H]2CCCC[C@H]2C)CCC(C)CC1 ZINC000050491594 521972357 /nfs/dbraw/zinc/97/23/57/521972357.db2.gz AATOLWQBEUKBAX-LVDPKSTMSA-N 1 0 253.430 3.750 10 0 CHAERO C[NH2+]CC1(O[C@@H]2C[C@@H](C)CC(C)(C)C2)CCCC1 ZINC000050496747 521972661 /nfs/dbraw/zinc/97/26/61/521972661.db2.gz BCPUNRKXYNTZGJ-ZIAGYGMSSA-N 1 0 253.430 3.750 10 0 CHAERO C[NH2+]C[C@@H](OC1CCCC1)c1ccc(Cl)cc1 ZINC000050487404 522035931 /nfs/dbraw/zinc/03/59/31/522035931.db2.gz WPXKYMXGZBOMOI-CQSZACIVSA-N 1 0 253.773 3.560 10 0 CHAERO C[NH2+]C[C@H](Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000052952351 522074282 /nfs/dbraw/zinc/07/42/82/522074282.db2.gz WWTXBXWOJVGUEM-MRXNPFEDSA-N 1 0 273.807 3.961 10 0 CHAERO C[NH2+]C[C@H]1CCN(c2cc(Cl)c(Cl)cc2Cl)C1 ZINC000053011659 522092575 /nfs/dbraw/zinc/09/25/75/522092575.db2.gz IWWSWZNQRLNODI-MRVPVSSYSA-N 1 0 293.625 3.693 10 0 CHAERO C[NH2+]Cc1ccccc1COc1ccc(C)cc1C ZINC000052653212 522136434 /nfs/dbraw/zinc/13/64/34/522136434.db2.gz ITTJCMUWOIYUEX-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1F)c1ccsc1 ZINC000050886025 522360674 /nfs/dbraw/zinc/36/06/74/522360674.db2.gz FXUUDJGDKHMQII-ZDUSSCGKSA-N 1 0 253.317 3.530 10 0 CHAERO C[NH2+][C@@H](c1cccnc1)c1cccc(Cl)c1Cl ZINC000055223060 522372986 /nfs/dbraw/zinc/37/29/86/522372986.db2.gz XMDRWBUIMCXEEB-ZDUSSCGKSA-N 1 0 267.159 3.697 10 0 CHAERO CC[C@@H](C)[C@](C)([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703268 522403157 /nfs/dbraw/zinc/40/31/57/522403157.db2.gz HGQLKMBOMZHQIM-SKDRFNHKSA-N 1 0 261.287 3.805 10 0 CHAERO C[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1n1ccnc1C(C)C ZINC000054555945 522505776 /nfs/dbraw/zinc/50/57/76/522505776.db2.gz QABPBWQLSWTQDP-KKUMJFAQSA-N 1 0 263.429 3.592 10 0 CHAERO C[N@H+](CC(C)(C)C)[C@@H](CN)c1csc2ccccc21 ZINC000054464542 522546233 /nfs/dbraw/zinc/54/62/33/522546233.db2.gz UWYFCUYVLHJUQC-AWEZNQCLSA-N 1 0 276.449 3.879 10 0 CHAERO CC[C@@H](C[NH2+]C(C)C)Oc1ccc2c(c1)CCCC2 ZINC000052706736 522546396 /nfs/dbraw/zinc/54/63/96/522546396.db2.gz NZAWAPDCSFWQTC-INIZCTEOSA-N 1 0 261.409 3.721 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](OC1CCC1)c1ccc(Cl)s1 ZINC000050519270 522646939 /nfs/dbraw/zinc/64/69/39/522646939.db2.gz YPCIUCNKORVRQF-BXKDBHETSA-N 1 0 259.802 3.749 10 0 CHAERO CC[C@@H]1CCCCN1c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054902498 523181841 /nfs/dbraw/zinc/18/18/41/523181841.db2.gz ULCNCVDWSXOJLM-GFCCVEGCSA-N 1 0 281.469 3.800 10 0 CHAERO C[N@H+](Cc1ccc(Cl)cc1N)C1CCCCC1 ZINC000050442837 523230603 /nfs/dbraw/zinc/23/06/03/523230603.db2.gz BUYIURHMDZMVKD-UHFFFAOYSA-N 1 0 252.789 3.687 10 0 CHAERO COc1ccc(-c2ncc(C[NH2+]CC(C)C)s2)cc1 ZINC000052331663 523236313 /nfs/dbraw/zinc/23/63/13/523236313.db2.gz BAOALVVKXIVLIS-UHFFFAOYSA-N 1 0 276.405 3.564 10 0 CHAERO COc1ccc(Br)cc1CC1([NH3+])CCCCC1 ZINC000049597838 523494017 /nfs/dbraw/zinc/49/40/17/523494017.db2.gz YYJFLFXKUYYYAB-UHFFFAOYSA-N 1 0 298.224 3.662 10 0 CHAERO CC[C@](C)(O)C[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000123303131 523495655 /nfs/dbraw/zinc/49/56/55/523495655.db2.gz RLHXQBPSDKHEFJ-SFHVURJKSA-N 1 0 286.419 3.508 10 0 CHAERO CCn1cc[nH+]c1N[C@@H](C)c1ccc(Cl)s1 ZINC000050614191 523549592 /nfs/dbraw/zinc/54/95/92/523549592.db2.gz UYSYALWQVPEMRJ-QMMMGPOBSA-N 1 0 255.774 3.791 10 0 CHAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000130389623 523583287 /nfs/dbraw/zinc/58/32/87/523583287.db2.gz RSIORIGEPCQKKY-OAHLLOKOSA-N 1 0 298.434 3.547 10 0 CHAERO CCc1cc(O[C@@H](C)C[NH2+]C(C)C)ccc1Cl ZINC000052699633 523841065 /nfs/dbraw/zinc/84/10/65/523841065.db2.gz BSOWLWNZLMLTLC-NSHDSACASA-N 1 0 255.789 3.668 10 0 CHAERO CCc1ccc(-c2nc(C)c(C[NH2+]C3CC3)s2)cc1 ZINC000052330916 523859079 /nfs/dbraw/zinc/85/90/79/523859079.db2.gz HJEVWSWRPGBKOL-UHFFFAOYSA-N 1 0 272.417 3.933 10 0 CHAERO CCc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)o1 ZINC000051724655 523946606 /nfs/dbraw/zinc/94/66/06/523946606.db2.gz QIVUPZFTGGKXLL-GFCCVEGCSA-N 1 0 289.375 3.710 10 0 CHAERO CCc1ccc(C[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000052946598 523951651 /nfs/dbraw/zinc/95/16/51/523951651.db2.gz YIZGDXFNHUISRX-CQSZACIVSA-N 1 0 259.418 3.671 10 0 CHAERO CCc1ccc([C@@]2(C)C[C@@H]2C[NH2+]C(C)(C)C)s1 ZINC000054597320 524041356 /nfs/dbraw/zinc/04/13/56/524041356.db2.gz WSGNAJBLPKVVQZ-ABAIWWIYSA-N 1 0 251.439 3.976 10 0 CHAERO C[C@H](CCC[NH3+])Oc1ccccc1-c1ccccc1 ZINC000052651166 524140786 /nfs/dbraw/zinc/14/07/86/524140786.db2.gz AXRRXLJMDBPKEX-CQSZACIVSA-N 1 0 255.361 3.860 10 0 CHAERO C[C@H]1CCC[C@H]([N@@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000062673052 524203498 /nfs/dbraw/zinc/20/34/98/524203498.db2.gz SIXKTXZDCOUARB-RYQLBKOJSA-N 1 0 286.463 3.990 10 0 CHAERO COc1ccc(Cl)cc1[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000062664093 524254379 /nfs/dbraw/zinc/25/43/79/524254379.db2.gz IUZCXCCBZWXJTP-YPMHNXCESA-N 1 0 267.800 3.971 10 0 CHAERO Cc1cc(C)cc(N(C)CCC[NH2+]C2CCCC2)c1 ZINC000053499742 524405827 /nfs/dbraw/zinc/40/58/27/524405827.db2.gz ZCKREGUQJOXSON-UHFFFAOYSA-N 1 0 260.425 3.662 10 0 CHAERO Cc1cccc(C[N@H+]2C[C@@H](C(C)C)NC[C@@H]2CC(C)C)c1 ZINC000062705158 524407048 /nfs/dbraw/zinc/40/70/48/524407048.db2.gz KAZXCRWKFUCCLL-OALUTQOASA-N 1 0 288.479 3.840 10 0 CHAERO C[C@H](C[NH2+]C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000052966522 524480005 /nfs/dbraw/zinc/48/00/05/524480005.db2.gz VPLUOVDPOGTFLI-VIFPVBQESA-N 1 0 258.192 3.924 10 0 CHAERO C[C@@H](C[NH2+]C(C)(C)C)O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629163 524733746 /nfs/dbraw/zinc/73/37/46/524733746.db2.gz SQDRICJPQBRPBE-RDBSUJKOSA-N 1 0 255.446 3.994 10 0 CHAERO COc1ccccc1[C@@H]([NH3+])C(C)(C)c1ccccc1 ZINC000062773146 524735920 /nfs/dbraw/zinc/73/59/20/524735920.db2.gz BXSRHSOMOODHNV-MRXNPFEDSA-N 1 0 255.361 3.673 10 0 CHAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC(C)(C)CC1 ZINC000061818391 524854103 /nfs/dbraw/zinc/85/41/03/524854103.db2.gz PEXMZMCYUZVCQE-SWLSCSKDSA-N 1 0 280.843 3.850 10 0 CHAERO C[C@H]([NH3+])c1c(F)cccc1OCCc1cccs1 ZINC000049585768 524863330 /nfs/dbraw/zinc/86/33/30/524863330.db2.gz KXKPRBVNOLKIOC-JTQLQIEISA-N 1 0 265.353 3.528 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000157327207 524877081 /nfs/dbraw/zinc/87/70/81/524877081.db2.gz PVBVQPKTUPLQTR-XIRDDKMYSA-N 1 0 291.460 3.700 10 0 CHAERO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000282303893 524891120 /nfs/dbraw/zinc/89/11/20/524891120.db2.gz RZSUEXNOSAXWHA-AYDFFVQHSA-N 1 0 279.399 3.550 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000163510185 524942684 /nfs/dbraw/zinc/94/26/84/524942684.db2.gz IYFRGVVLHROVNX-DOTOQJQBSA-N 1 0 287.451 3.527 10 0 CHAERO Cc1cc(F)ccc1[C@H]1CC[NH2+][C@@H]1c1ccccc1 ZINC000054684009 525011672 /nfs/dbraw/zinc/01/16/72/525011672.db2.gz IVECJNWWTWCPOO-IAGOWNOFSA-N 1 0 255.336 3.952 10 0 CHAERO C[C@]([NH3+])(C[C@H]1CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000053759812 525150184 /nfs/dbraw/zinc/15/01/84/525150184.db2.gz SPAPYZCQFGAZDG-OQPBUACISA-N 1 0 292.181 3.876 10 0 CHAERO COc1ccc([C@@H](C[NH2+]C(C)C)OC(C)(C)C)cc1 ZINC000050483805 525187847 /nfs/dbraw/zinc/18/78/47/525187847.db2.gz VYCFHSQIMVOKBN-OAHLLOKOSA-N 1 0 265.397 3.549 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+][C@@H](C)CCCO)c1ccccc1 ZINC000094941975 525376124 /nfs/dbraw/zinc/37/61/24/525376124.db2.gz NIGGRYPVEXZAQR-LPHOPBHVSA-N 1 0 283.415 3.835 10 0 CHAERO C[C@@H](NC1=[NH+]C(C)(C)CS1)c1ccc(Cl)cc1 ZINC000049526547 525394995 /nfs/dbraw/zinc/39/49/95/525394995.db2.gz HGSWWCOIVCZBMV-SECBINFHSA-N 1 0 268.813 3.872 10 0 CHAERO C[C@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000037235476 525549120 /nfs/dbraw/zinc/54/91/20/525549120.db2.gz ZPKWTEOTKGXZPY-WCQYABFASA-N 1 0 286.400 3.507 10 0 CHAERO Cc1cccnc1[C@H]([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000060700602 525550922 /nfs/dbraw/zinc/55/09/22/525550922.db2.gz CFRBBDMVYVUHHS-CYBMUJFWSA-N 1 0 281.186 3.939 10 0 CHAERO C[C@@H]1[NH2+]C2(CCCCC2)CO[C@H]1c1cccs1 ZINC000053073669 525550868 /nfs/dbraw/zinc/55/08/68/525550868.db2.gz YKESICURMYIMOS-WCQYABFASA-N 1 0 251.395 3.500 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000126842682 525588581 /nfs/dbraw/zinc/58/85/81/525588581.db2.gz QIISEBCNADUPOZ-PTZCXBDSSA-N 1 0 259.180 3.635 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cccc(-n2ccnc2)c1 ZINC000156721243 525617372 /nfs/dbraw/zinc/61/73/72/525617372.db2.gz SHHPBHCSTPTKMG-LSDHHAIUSA-N 1 0 292.386 3.679 10 0 CHAERO C[C@@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)c1ncc[nH]1 ZINC000138899291 525695525 /nfs/dbraw/zinc/69/55/25/525695525.db2.gz JBXZGPOTZCBRQB-DOMZBBRYSA-N 1 0 269.392 3.774 10 0 CHAERO Cc1ccc([C@@H](C)NC2=[NH+][C@@H](CC(C)C)CS2)o1 ZINC000049221849 525719519 /nfs/dbraw/zinc/71/95/19/525719519.db2.gz CALOOQGREIPSNS-NEPJUHHUSA-N 1 0 266.410 3.756 10 0 CHAERO COc1cccc(-c2ncc(C[NH2+]CC(C)C)s2)c1 ZINC000052331662 525728608 /nfs/dbraw/zinc/72/86/08/525728608.db2.gz YMSSZIRMDQEZDL-UHFFFAOYSA-N 1 0 276.405 3.564 10 0 CHAERO C[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000055238391 525751668 /nfs/dbraw/zinc/75/16/68/525751668.db2.gz CQMDCHNOAYMWDC-CQSZACIVSA-N 1 0 267.706 3.840 10 0 CHAERO C[C@@H](c1nc(-c2cccs2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000157948029 526162618 /nfs/dbraw/zinc/16/26/18/526162618.db2.gz DQJCONKCPQHIAK-ZWNOBZJWSA-N 1 0 285.372 3.602 10 0 CHAERO C[C@H](C1CC1)[N@H+](C)Cc1nc2sccc2c(Cl)n1 ZINC000050839995 526204570 /nfs/dbraw/zinc/20/45/70/526204570.db2.gz FSHHAYSAYLSUSK-MRVPVSSYSA-N 1 0 281.812 3.575 10 0 CHAERO COc1cccc(N[C@H](C[NH3+])c2c(F)cccc2Cl)c1 ZINC000057610480 526211165 /nfs/dbraw/zinc/21/11/65/526211165.db2.gz BIUYLKKHIMMESY-CQSZACIVSA-N 1 0 294.757 3.600 10 0 CHAERO C[C@H]1CCCC[C@H]1N(C)c1ccc(Cl)cc1C[NH3+] ZINC000052857504 526261271 /nfs/dbraw/zinc/26/12/71/526261271.db2.gz PKVAGWVPKQPNHI-SMDDNHRTSA-N 1 0 266.816 3.814 10 0 CHAERO c1ccc(Oc2ncccc2C[NH2+]Cc2ccncc2)cc1 ZINC000012305500 526489681 /nfs/dbraw/zinc/48/96/81/526489681.db2.gz WIPUCVLJYMKWCL-UHFFFAOYSA-N 1 0 291.354 3.559 10 0 CHAERO c1coc([C@H]([NH2+]C[C@H]2CCCS2)c2ccccc2)c1 ZINC000149563362 526570293 /nfs/dbraw/zinc/57/02/93/526570293.db2.gz HFNIBWYYNWPEIQ-GDBMZVCRSA-N 1 0 273.401 3.854 10 0 CHAERO c1csc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000157015426 526586395 /nfs/dbraw/zinc/58/63/95/526586395.db2.gz YKOVUUYUGVCSBR-CQSZACIVSA-N 1 0 258.390 3.523 10 0 CHAERO NC(=[NH2+])c1cc(Cl)ccc1Oc1ccc(F)c(F)c1 ZINC000052860355 526820696 /nfs/dbraw/zinc/82/06/96/526820696.db2.gz SKJLFWGLRJOIBE-UHFFFAOYSA-N 1 0 282.677 3.695 10 0 CHAERO NC(=[NH2+])c1cc(Cl)ccc1Oc1cc(F)cc(F)c1 ZINC000054933187 526821112 /nfs/dbraw/zinc/82/11/12/526821112.db2.gz LCJRLIDVQMIWGX-UHFFFAOYSA-N 1 0 282.677 3.695 10 0 CHAERO Cc1nc(CCc2ccccc2)sc1C[NH2+]C(C)C ZINC000052330781 526831657 /nfs/dbraw/zinc/83/16/57/526831657.db2.gz VWWNDPKXWGRQKN-UHFFFAOYSA-N 1 0 274.433 3.735 10 0 CHAERO [NH2+]=C1c2ccccc2CN1[C@H]1CCCc2sccc21 ZINC000061364046 526840055 /nfs/dbraw/zinc/84/00/55/526840055.db2.gz QJIPXHWNFYSQOL-AWEZNQCLSA-N 1 0 268.385 3.967 10 0 CHAERO Cc1sc(C2CC[NH2+]CC2)nc1-c1ccc(C)cc1 ZINC000053252465 526875160 /nfs/dbraw/zinc/87/51/60/526875160.db2.gz AABGTMQDEUGISB-UHFFFAOYSA-N 1 0 272.417 3.894 10 0 CHAERO Cc1nc(C[C@H]([NH3+])c2ccc(C(C)C)cc2)cs1 ZINC000055294907 526922086 /nfs/dbraw/zinc/92/20/86/526922086.db2.gz VLAVMUPKLFVEML-HNNXBMFYSA-N 1 0 260.406 3.817 10 0 CHAERO Cc1nc(N(C)C2CCCC2)sc1C[NH2+]C(C)(C)C ZINC000054996599 526950294 /nfs/dbraw/zinc/95/02/94/526950294.db2.gz SWMBFHQKTZIDJP-UHFFFAOYSA-N 1 0 281.469 3.718 10 0 CHAERO [NH3+]CC1(CCOc2ccc(Br)cc2)CCCC1 ZINC000054635750 527164189 /nfs/dbraw/zinc/16/41/89/527164189.db2.gz AGKCYNSPAAUWGF-UHFFFAOYSA-N 1 0 298.224 3.737 10 0 CHAERO [NH3+]C[C@@H](CCCOc1ccccc1)c1ccccc1 ZINC000057697362 527201947 /nfs/dbraw/zinc/20/19/47/527201947.db2.gz RSLZGFJBMBDBDI-MRXNPFEDSA-N 1 0 255.361 3.588 10 0 CHAERO [NH3+]Cc1c(Cl)cccc1Sc1nc2ccccc2[nH]1 ZINC000052905368 527243553 /nfs/dbraw/zinc/24/35/53/527243553.db2.gz HCOKRHBCVCSATE-UHFFFAOYSA-N 1 0 289.791 3.826 10 0 CHAERO [NH3+]Cc1cccc(Cn2cc(Cl)c3ccccc32)c1 ZINC000055310174 527258836 /nfs/dbraw/zinc/25/88/36/527258836.db2.gz XTCIYTUSHMFMBD-UHFFFAOYSA-N 1 0 270.763 3.802 10 0 CHAERO [NH3+][C@@H](Cc1ccc(F)cc1Cl)CC1CCCC1 ZINC000062607888 527334550 /nfs/dbraw/zinc/33/45/50/527334550.db2.gz WHTGMIUTNWCDSM-CYBMUJFWSA-N 1 0 255.764 3.929 10 0 CHAERO [NH3+][C@@H](c1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000062792305 527338866 /nfs/dbraw/zinc/33/88/66/527338866.db2.gz NGQAFOGXLAZCSA-ZDUSSCGKSA-N 1 0 271.669 3.805 10 0 CHAERO [NH3+][C@H](CC(F)(F)F)c1ccccc1OC(F)(F)F ZINC000055225528 527384591 /nfs/dbraw/zinc/38/45/91/527384591.db2.gz UEHFCHRIEQJWCI-SSDOTTSWSA-N 1 0 273.176 3.537 10 0 CHAERO FC(F)(F)c1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000061626314 527686940 /nfs/dbraw/zinc/68/69/40/527686940.db2.gz JWXFWQHEXMQETH-MISXGVKJSA-N 1 0 269.310 3.984 10 0 CHAERO FC(F)(F)c1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000061626316 527686941 /nfs/dbraw/zinc/68/69/41/527686941.db2.gz JWXFWQHEXMQETH-WDMOLILDSA-N 1 0 269.310 3.984 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1c1cccc2ccccc21 ZINC000083511091 535264417 /nfs/dbraw/zinc/26/44/17/535264417.db2.gz JQINNENDFSHWHV-KSSFIOAISA-N 1 0 268.404 3.663 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(SC)c1 ZINC000083587493 535825219 /nfs/dbraw/zinc/82/52/19/535825219.db2.gz NZCSLJJWWCWHAZ-CZUORRHYSA-N 1 0 278.465 3.621 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(SC)cc1 ZINC000083587482 536169559 /nfs/dbraw/zinc/16/95/59/536169559.db2.gz ULWFMHPHWVBCLY-BBRMVZONSA-N 1 0 278.465 3.621 10 0 CHAERO CC(C)[NH+](Cc1cc(N)ccc1Br)C(C)C ZINC000675056971 567021785 /nfs/dbraw/zinc/02/17/85/567021785.db2.gz SLZXFQUXTGSJFL-UHFFFAOYSA-N 1 0 285.229 3.650 10 0 CHAERO CC(C)[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000040730961 567890941 /nfs/dbraw/zinc/89/09/41/567890941.db2.gz HMHROSLQWOPSLY-UHFFFAOYSA-N 1 0 286.213 3.734 10 0 CHAERO [NH3+][C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001665989 560183556 /nfs/dbraw/zinc/18/35/56/560183556.db2.gz ILMMSBJXXQIEEM-KBPBESRZSA-N 1 0 282.170 3.727 10 0 in-vitro CHAERO CCC1(CC)C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000536951236 566980732 /nfs/dbraw/zinc/98/07/32/566980732.db2.gz OELZWCNCNTZEEB-ZDUSSCGKSA-N 1 0 282.225 3.942 10 0 CHAERO Brc1cccc([C@H]2[NH2+]CCc3ccsc32)c1 ZINC000084704877 567033805 /nfs/dbraw/zinc/03/38/05/567033805.db2.gz AYHHPTODVGIXEN-GFCCVEGCSA-N 1 0 294.217 3.746 10 0 CHAERO C[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328630220 567120818 /nfs/dbraw/zinc/12/08/18/567120818.db2.gz PPTFFKDWQQNEEZ-IACUBPJLSA-N 1 0 287.325 3.695 10 0 CHAERO CC[NH2+][C@@H](c1cc(F)c(Br)cc1F)C1CC1 ZINC000070022810 567901358 /nfs/dbraw/zinc/90/13/58/567901358.db2.gz ZKRYRAIYLWSURV-GFCCVEGCSA-N 1 0 290.151 3.788 10 0 CHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000725254574 567913608 /nfs/dbraw/zinc/91/36/08/567913608.db2.gz YYLVYXWLUDXXEO-QCZZGDTMSA-N 1 0 280.209 3.693 10 0 CHAERO C=C(OCC)c1ccc(Cl)c(C[NH2+]C(C)C)c1 ZINC000725267715 567924093 /nfs/dbraw/zinc/92/40/93/567924093.db2.gz ZINCOXCHDQSJBS-UHFFFAOYSA-N 1 0 253.773 3.845 10 0 CHAERO C[C@H]1CCC[C@@H](c2cccc(C(=O)OC(C)(C)C)c2)[NH2+]1 ZINC000725270674 567924569 /nfs/dbraw/zinc/92/45/69/567924569.db2.gz PMMNFMWHAWMMRG-WFASDCNBSA-N 1 0 275.392 3.845 10 0 CHAERO CCC(C)(C)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273740 570264028 /nfs/dbraw/zinc/26/40/28/570264028.db2.gz YPXUURWPEQICHM-UHFFFAOYSA-N 1 0 253.430 3.893 10 0 CHAERO Brc1ccccc1[C@@H]1C[NH2+]CC12CCCC2 ZINC000217243546 570307597 /nfs/dbraw/zinc/30/75/97/570307597.db2.gz POMNUBBENIRIOA-LBPRGKRZSA-N 1 0 280.209 3.696 10 0 CHAERO CC[C@H]([NH2+]Cc1ccc(Br)nc1)C(C)(C)C ZINC000381382652 570412578 /nfs/dbraw/zinc/41/25/78/570412578.db2.gz LRJPOMQGTKWUCG-NSHDSACASA-N 1 0 285.229 3.758 10 0 CHAERO C[C@H]1CC(C[NH2+]C2CCC3(CCOCC3)CC2)C[C@H](C)O1 ZINC000336349683 1119040375 /nfs/dbraw/zinc/04/03/75/1119040375.db2.gz HHSJWMACRHLCAA-GJZGRUSLSA-N 1 0 295.467 3.519 10 0 CHAERO COc1c(C)cc(CN(C)Cc2c(C)noc2C)cc1C ZINC000101566456 1119660417 /nfs/dbraw/zinc/66/04/17/1119660417.db2.gz YJWOLNWZHRLJTM-UHFFFAOYSA-N 1 0 288.391 3.549 10 0 CHAERO Clc1cc(C[N@@H+]2CCCC23CCCC3)ccn1 ZINC000310454138 1120459104 /nfs/dbraw/zinc/45/91/04/1120459104.db2.gz WIDWHYKJUFAJDG-UHFFFAOYSA-N 1 0 250.773 3.644 10 0 CHAERO C[NH+](C)C[C@H]1Cc2ccccc2Oc2ccccc21 ZINC000095616757 185016652 /nfs/dbraw/zinc/01/66/52/185016652.db2.gz FSTGCJHWFBLEJF-CQSZACIVSA-N 1 0 253.345 3.680 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccco2)nc1CCC ZINC000082428518 178004332 /nfs/dbraw/zinc/00/43/32/178004332.db2.gz PJPNVXXGBUYPKG-UHFFFAOYSA-N 1 0 264.394 3.855 10 0 CHAERO C[NH2+]Cc1sc(-c2cccc(C)c2)nc1C(C)C ZINC000082429735 178007768 /nfs/dbraw/zinc/00/77/68/178007768.db2.gz OAUSMCBRJMVDKR-UHFFFAOYSA-N 1 0 260.406 3.961 10 0 CHAERO CCC[NH2+]Cc1sc(N(CC)CC)nc1C(C)C ZINC000082434707 178011680 /nfs/dbraw/zinc/01/16/80/178011680.db2.gz NUCVIRVNMMKDQX-UHFFFAOYSA-N 1 0 269.458 3.612 10 0 CHAERO CCOc1cccc(-c2nc(C3CC3)c(C[NH2+]C)s2)c1 ZINC000082436682 178014635 /nfs/dbraw/zinc/01/46/35/178014635.db2.gz HGGRIHRLKSYNHZ-UHFFFAOYSA-N 1 0 288.416 3.806 10 0 CHAERO CCCOc1ccc2c(c1)[C@H]([NH2+]CC)CC(C)(C)O2 ZINC000082505900 178069755 /nfs/dbraw/zinc/06/97/55/178069755.db2.gz PYRJYMHZKVGLRR-CQSZACIVSA-N 1 0 263.381 3.687 10 0 CHAERO CC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccc(OC)cc21 ZINC000082509195 178075654 /nfs/dbraw/zinc/07/56/54/178075654.db2.gz NBCNWOJDACDUGE-OAHLLOKOSA-N 1 0 275.392 3.831 10 0 CHAERO [NH3+][C@@H]1CC2(CCC2)Oc2c(Cl)cc(Cl)cc21 ZINC000095835670 185029666 /nfs/dbraw/zinc/02/96/66/185029666.db2.gz DZGWSEDHIMLGJT-SNVBAGLBSA-N 1 0 258.148 3.698 10 0 CHAERO CCC[NH2+]Cc1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000082661652 178149563 /nfs/dbraw/zinc/14/95/63/178149563.db2.gz NNGDPBGUXCKNIK-UHFFFAOYSA-N 1 0 297.324 3.699 10 0 CHAERO C[C@@H]([NH3+])c1ccc(F)c(-c2ccc(F)c(F)c2F)c1 ZINC000082708083 178216470 /nfs/dbraw/zinc/21/64/70/178216470.db2.gz GDDOCIYXCDAPLR-SSDOTTSWSA-N 1 0 269.241 3.930 10 0 CHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(OC)cc2)c1 ZINC000082709700 178220231 /nfs/dbraw/zinc/22/02/31/178220231.db2.gz OMCYAKCYOVHYRS-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO CC(C)(C)c1nn(Cc2ccccc2)c2c1[C@@H]([NH3+])CCC2 ZINC000082826352 178323537 /nfs/dbraw/zinc/32/35/37/178323537.db2.gz GTLDIDGDUYWTHP-AWEZNQCLSA-N 1 0 283.419 3.565 10 0 CHAERO CC(C)[C@H]1[NH2+]CCc2c(Cl)cc(Br)cc21 ZINC000096809461 185114497 /nfs/dbraw/zinc/11/44/97/185114497.db2.gz RVNXEHRHBIUOMJ-GFCCVEGCSA-N 1 0 288.616 3.945 10 0 CHAERO CCC[C@@H]([NH3+])c1ccc(OCC)c(Br)c1 ZINC000096888717 185122959 /nfs/dbraw/zinc/12/29/59/185122959.db2.gz WXKRVXVTFLIRNX-LLVKDONJSA-N 1 0 272.186 3.648 10 0 CHAERO COc1cc(CC(C)C)c(OC)c2c1CC[NH2+][C@@H]2C(C)C ZINC000096889064 185123605 /nfs/dbraw/zinc/12/36/05/185123605.db2.gz MDUIRILXRLCZRX-QGZVFWFLSA-N 1 0 291.435 3.745 10 0 CHAERO CCSc1cc(OC)c2c(c1OC)[C@H](C)[NH2+]CC2(C)C ZINC000096889023 185124207 /nfs/dbraw/zinc/12/42/07/185124207.db2.gz UUYPFEOKTXCRLV-JTQLQIEISA-N 1 0 295.448 3.758 10 0 CHAERO CC1(C)C[C@@H]1c1nc(-c2ccc(C[NH3+])cc2)cs1 ZINC000083430865 178438916 /nfs/dbraw/zinc/43/89/16/178438916.db2.gz LNEBKHZHQBWNHX-GFCCVEGCSA-N 1 0 258.390 3.782 10 0 CHAERO Fc1cc(Cl)ccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000083618940 178617518 /nfs/dbraw/zinc/61/75/18/178617518.db2.gz MJSIWGMJRUROBE-OAHLLOKOSA-N 1 0 261.727 3.714 10 0 CHAERO CC[C@H]([NH3+])Cc1ccc(N2CCC(CC)CC2)cc1 ZINC000104278461 136554115 /nfs/dbraw/zinc/55/41/15/136554115.db2.gz ZFPXCHBALYSLTH-INIZCTEOSA-N 1 0 260.425 3.593 10 0 CHAERO CC1(C)CC[NH2+]C[C@H]1c1ccccc1Br ZINC000086370248 179278443 /nfs/dbraw/zinc/27/84/43/179278443.db2.gz NBANVZJBYGKNHZ-NSHDSACASA-N 1 0 268.198 3.552 10 0 CHAERO CCCNc1c2cc(OC)ccc2[nH+]c(C)c1CC ZINC000104011635 185881990 /nfs/dbraw/zinc/88/19/90/185881990.db2.gz BSNYLOPUPYQNEU-UHFFFAOYSA-N 1 0 258.365 3.936 10 0 CHAERO CCCCC[NH2+]C[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000104016230 185883235 /nfs/dbraw/zinc/88/32/35/185883235.db2.gz CWFBCZWDTLXEQA-OAHLLOKOSA-N 1 0 268.489 3.913 10 0 CHAERO CC[NH2+][C@H](c1cccc(Cl)c1)c1cccc(C)n1 ZINC000104162384 185914683 /nfs/dbraw/zinc/91/46/83/185914683.db2.gz PVJZLFSIQAOPMK-OAHLLOKOSA-N 1 0 260.768 3.742 10 0 CHAERO CCN(c1ccccc1)c1ccc(CC[NH3+])c(C)c1 ZINC000104259970 185946537 /nfs/dbraw/zinc/94/65/37/185946537.db2.gz PRYAAQSMFOMOKN-UHFFFAOYSA-N 1 0 254.377 3.654 10 0 CHAERO CC[C@@H](C)Sc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000104285390 185955361 /nfs/dbraw/zinc/95/53/61/185955361.db2.gz ILXNIAIPXKMUJA-DTWKUNHWSA-N 1 0 259.365 3.745 10 0 CHAERO CCC(CC)[C@H](C)[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000104437335 186001298 /nfs/dbraw/zinc/00/12/98/186001298.db2.gz WSINCPDRMFFENI-NSHDSACASA-N 1 0 279.453 3.927 10 0 CHAERO CC[C@H]([NH3+])[C@H](SCCCOC)c1cccc(C)c1 ZINC000104439366 186002016 /nfs/dbraw/zinc/00/20/16/186002016.db2.gz IHWXMEHPAQOSEJ-LSDHHAIUSA-N 1 0 267.438 3.543 10 0 CHAERO CC(C)CC[N@@H+]1CC[C@@H](Nc2cccc3cnccc32)C1 ZINC000090769156 180037800 /nfs/dbraw/zinc/03/78/00/180037800.db2.gz UXMUTUJWYRULJB-MRXNPFEDSA-N 1 0 283.419 3.767 10 0 CHAERO C[C@@H]([NH3+])c1cccc(NC(=O)C[C@H](C)C(C)(C)C)c1 ZINC000104446623 186005385 /nfs/dbraw/zinc/00/53/85/186005385.db2.gz KXIGCNUWEJWSCP-NWDGAFQWSA-N 1 0 262.397 3.717 10 0 CHAERO CC(C)[C@H]([NH2+]CCOC1CCCC1)c1cccs1 ZINC000104449973 186007134 /nfs/dbraw/zinc/00/71/34/186007134.db2.gz SYPVJGGHSOZDAR-HNNXBMFYSA-N 1 0 267.438 3.994 10 0 CHAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC1 ZINC000106255652 186106402 /nfs/dbraw/zinc/10/64/02/186106402.db2.gz PAMXUMIPDMUWIQ-UMSPYCQHSA-N 1 0 253.773 3.714 10 0 CHAERO C[NH+](C)[C@@H]1CCc2[nH]c3c(cccc3C(F)(F)F)c2C1 ZINC000169346203 188660594 /nfs/dbraw/zinc/66/05/94/188660594.db2.gz HKVUPYFTNACZRJ-SECBINFHSA-N 1 0 282.309 3.606 10 0 CHAERO CCc1ccc([C@@H](C)[NH2+]Cc2cccn2CC)cc1 ZINC000091023784 260434016 /nfs/dbraw/zinc/43/40/16/260434016.db2.gz KTHSRMHCORPWPL-CQSZACIVSA-N 1 0 256.393 3.921 10 0 CHAERO O[C@]1([C@H]2CCCC[NH2+]2)C[C@H](c2ccccc2)c2ccccc21 ZINC000255965695 189997736 /nfs/dbraw/zinc/99/77/36/189997736.db2.gz BVCSKXTWXLPCHL-MISYRCLQSA-N 1 0 293.410 3.552 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2cccc(C)c2C)c(C)c1 ZINC000021017911 184535987 /nfs/dbraw/zinc/53/59/87/184535987.db2.gz HYCGTAFRMDPKRT-QGZVFWFLSA-N 1 0 269.388 3.999 10 0 CHAERO CC(C)=CC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000001493276 169709682 /nfs/dbraw/zinc/70/96/82/169709682.db2.gz ULBZOYYHHRLQMV-UHFFFAOYSA-N 1 0 255.405 3.933 10 0 CHAERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)c2ccccc2N1C ZINC000005284973 134655345 /nfs/dbraw/zinc/65/53/45/134655345.db2.gz QUPLVDIPNSYMSS-IRXDYDNUSA-N 1 0 258.409 3.688 10 0 CHAERO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171526551 335069097 /nfs/dbraw/zinc/06/90/97/335069097.db2.gz WSGXRPJCVHNCDK-IUODEOHRSA-N 1 0 298.352 3.546 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000004204899 169943768 /nfs/dbraw/zinc/94/37/68/169943768.db2.gz OLOALBPICAZSJT-CYBMUJFWSA-N 1 0 283.705 3.990 10 0 CHAERO [NH3+]Cc1ccc(-c2cccc(Br)c2)cc1 ZINC000005762889 170138400 /nfs/dbraw/zinc/13/84/00/170138400.db2.gz PFHYUTTUWDDBBA-UHFFFAOYSA-N 1 0 262.150 3.575 10 0 CHAERO CCC[NH+](CCC)[C@@H]1CCc2c(O)c(C)ccc2C1 ZINC000005832971 170144930 /nfs/dbraw/zinc/14/49/30/170144930.db2.gz LHVIJZCQQQHWGY-OAHLLOKOSA-N 1 0 261.409 3.680 10 0 CHAERO C[N@H+]1CC=C(/C=C/c2cccc(Br)c2)CC1 ZINC000005966242 170163743 /nfs/dbraw/zinc/16/37/43/170163743.db2.gz CEBVLYAEGCVTFY-AATRIKPKSA-N 1 0 278.193 3.724 10 0 CHAERO Cc1ccc(C)c(Oc2ccc(CC[NH3+])cc2)c1C ZINC000011993351 170465409 /nfs/dbraw/zinc/46/54/09/170465409.db2.gz RTYLXPOLJIXEDU-UHFFFAOYSA-N 1 0 255.361 3.905 10 0 CHAERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000012669117 170503278 /nfs/dbraw/zinc/50/32/78/170503278.db2.gz BNRIIWFKZOPEPA-UONOGXRCSA-N 1 0 284.403 3.801 10 0 CHAERO CC(C)c1cccc(O[C@@H](C[NH3+])c2ccccc2)c1 ZINC000019670778 170835439 /nfs/dbraw/zinc/83/54/39/170835439.db2.gz YZSFTWQQQZPUCG-KRWDZBQOSA-N 1 0 255.361 3.889 10 0 CHAERO CCOc1cc(C[NH2+]C)ccc1OCc1ccccc1C ZINC000019777936 170861008 /nfs/dbraw/zinc/86/10/08/170861008.db2.gz NRGBJEVMLYQRMP-UHFFFAOYSA-N 1 0 285.387 3.692 10 0 CHAERO COc1cccc(Oc2ccc([C@H](C)[NH3+])cc2F)c1 ZINC000019873539 170903029 /nfs/dbraw/zinc/90/30/29/170903029.db2.gz CPSBVTCLGNLAEQ-JTQLQIEISA-N 1 0 261.296 3.646 10 0 CHAERO CC[C@H]([NH2+]Cc1ccccc1OC)c1ccc(O)cc1 ZINC000019903219 170914961 /nfs/dbraw/zinc/91/49/61/170914961.db2.gz GVNUFKDEFFASHI-INIZCTEOSA-N 1 0 271.360 3.642 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccccn2)c(C)c1 ZINC000019916757 170925850 /nfs/dbraw/zinc/92/58/50/170925850.db2.gz JMFHTARKWXSTIQ-INIZCTEOSA-N 1 0 268.404 3.900 10 0 CHAERO CCOc1ccc([C@H]([NH3+])CCc2ccccc2)cc1 ZINC000019967453 170949102 /nfs/dbraw/zinc/94/91/02/170949102.db2.gz JSZKPAWRICIMOA-QGZVFWFLSA-N 1 0 255.361 3.718 10 0 CHAERO COc1ccc(OC)c([C@@H]([NH3+])c2cc(Cl)ccc2F)c1 ZINC000019967636 170949736 /nfs/dbraw/zinc/94/97/36/170949736.db2.gz JEITWZZRBMXINI-HNNXBMFYSA-N 1 0 295.741 3.544 10 0 CHAERO COc1cc(OC)cc([C@@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000019968670 170951018 /nfs/dbraw/zinc/95/10/18/170951018.db2.gz KAZJGVLGVSCUKG-GOSISDBHSA-N 1 0 285.387 3.677 10 0 CHAERO COc1ccc(CC[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000019969000 170951307 /nfs/dbraw/zinc/95/13/07/170951307.db2.gz KRGKFBNZRIERIT-INIZCTEOSA-N 1 0 277.314 3.606 10 0 CHAERO COc1ccc(C[C@@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000019971311 170955041 /nfs/dbraw/zinc/95/50/41/170955041.db2.gz ATCOFHZBGJEKNU-QGZVFWFLSA-N 1 0 255.361 3.555 10 0 CHAERO CC[C@H]([C@@H](N)c1ccccc1)[NH+]1CCCCCCC1 ZINC000019980997 170958999 /nfs/dbraw/zinc/95/89/99/170958999.db2.gz DDVFYVBIXXBOCC-SJORKVTESA-N 1 0 260.425 3.731 10 0 CHAERO CCN(C[C@H]1CCCC[NH2+]1)c1cccc2ccccc21 ZINC000020013334 170968953 /nfs/dbraw/zinc/96/89/53/170968953.db2.gz MUSJWWUHEVGRGY-MRXNPFEDSA-N 1 0 268.404 3.808 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccn2)cc1C ZINC000020091682 170990828 /nfs/dbraw/zinc/99/08/28/170990828.db2.gz VGUQNBHSLPHGPQ-HNNXBMFYSA-N 1 0 254.377 3.858 10 0 CHAERO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)ccc1O ZINC000020095700 170995579 /nfs/dbraw/zinc/99/55/79/170995579.db2.gz DWMYVEMJCXMYBG-VXGBXAGGSA-N 1 0 289.350 3.952 10 0 CHAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129414 171018041 /nfs/dbraw/zinc/01/80/41/171018041.db2.gz PJAKJJLRVNLEOH-RDTXWAMCSA-N 1 0 286.394 3.779 10 0 CHAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000020130037 171018849 /nfs/dbraw/zinc/01/88/49/171018849.db2.gz RHPJUSONSUDWHK-DLBZAZTESA-N 1 0 265.356 3.787 10 0 CHAERO c1ccc(CC[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000020136003 171023413 /nfs/dbraw/zinc/02/34/13/171023413.db2.gz WXHUQODAXADTQG-UHFFFAOYSA-N 1 0 268.385 3.629 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2)c(C)c1 ZINC000020141005 171027877 /nfs/dbraw/zinc/02/78/77/171027877.db2.gz AYJIJRLYIBKSHR-OAHLLOKOSA-N 1 0 254.377 3.858 10 0 CHAERO CSc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N(C)C)cc1 ZINC000020145887 171031672 /nfs/dbraw/zinc/03/16/72/171031672.db2.gz NBCQWWKQMMWASR-CZUORRHYSA-N 1 0 280.481 3.645 10 0 CHAERO C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 ZINC000020206401 171071039 /nfs/dbraw/zinc/07/10/39/171071039.db2.gz PKJBEXBXBOKRKI-ACJLOTCBSA-N 1 0 279.383 3.914 10 0 CHAERO Cc1cccc([C@H](C[NH3+])N(C)Cc2ccccc2Cl)c1 ZINC000020225496 171088084 /nfs/dbraw/zinc/08/80/84/171088084.db2.gz FGUWSVPVZKSYOV-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO CCc1ccc([C@H](C[NH3+])N(C)Cc2ccccc2F)cc1 ZINC000020225707 171088618 /nfs/dbraw/zinc/08/86/18/171088618.db2.gz ZZNXFTKBHOJIPB-SFHVURJKSA-N 1 0 286.394 3.520 10 0 CHAERO CN(Cc1cccc(Cl)c1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225662 171088857 /nfs/dbraw/zinc/08/88/57/171088857.db2.gz SHOYVJILHKSGGD-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CCOc1cccc([C@H](CN)[N@H+](C)CC2CCCCC2)c1 ZINC000020226213 171089327 /nfs/dbraw/zinc/08/93/27/171089327.db2.gz MSZYSVGXDDDTSC-SFHVURJKSA-N 1 0 290.451 3.597 10 0 CHAERO Cc1cccc(CN(C)[C@@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000020226000 171089941 /nfs/dbraw/zinc/08/99/41/171089941.db2.gz ZIHKXNKIHJPHPU-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO C[C@@H]([NH3+])c1ccc(OCc2cccc3cccnc32)cc1 ZINC000020246128 171099428 /nfs/dbraw/zinc/09/94/28/171099428.db2.gz JFCSFQKLLPIKIF-CYBMUJFWSA-N 1 0 278.355 3.834 10 0 CHAERO [NH3+]C1(C(=O)Nc2cccc(Cl)c2Cl)CCCCC1 ZINC000020246480 171100222 /nfs/dbraw/zinc/10/02/22/171100222.db2.gz YHDGRVDEMYIZDY-UHFFFAOYSA-N 1 0 287.190 3.594 10 0 CHAERO Cc1ccccc1[C@@H]([NH3+])c1ccccc1Br ZINC000020391317 171180134 /nfs/dbraw/zinc/18/01/34/171180134.db2.gz NNJULVYQXAOSJS-CQSZACIVSA-N 1 0 276.177 3.806 10 0 CHAERO [NH3+]CC1(c2ccc(Br)cc2)CCCCCC1 ZINC000020429500 171194557 /nfs/dbraw/zinc/19/45/57/171194557.db2.gz ZKNXLFZOYHMIDG-UHFFFAOYSA-N 1 0 282.225 4.000 10 0 CHAERO COc1ccc(Cl)cc1C1(C[NH3+])CCCCCC1 ZINC000020429525 171194684 /nfs/dbraw/zinc/19/46/84/171194684.db2.gz KOAXCVIHEXWMQD-UHFFFAOYSA-N 1 0 267.800 3.899 10 0 CHAERO [NH3+]Cc1cc(Br)ccc1OC1CCCCC1 ZINC000020483418 171223861 /nfs/dbraw/zinc/22/38/61/171223861.db2.gz QMQKKBCTSODBEL-UHFFFAOYSA-N 1 0 284.197 3.619 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)c1cccc(OC)c1 ZINC000020484764 171224152 /nfs/dbraw/zinc/22/41/52/171224152.db2.gz UJPHUTBRHZFWFI-QGZVFWFLSA-N 1 0 278.440 3.597 10 0 CHAERO CCCC[NH+](CCCC)[C@H]1CCCCCC[C@@H]1N ZINC000020485395 171225400 /nfs/dbraw/zinc/22/54/00/171225400.db2.gz XIJCNBLZYZISPU-HOTGVXAUSA-N 1 0 254.462 3.939 10 0 CHAERO CCN(Cc1ccccc1)c1ccccc1[C@@H](C)[NH3+] ZINC000020486574 171225876 /nfs/dbraw/zinc/22/58/76/171225876.db2.gz OKDCHZYZXRZXNQ-CQSZACIVSA-N 1 0 254.377 3.733 10 0 CHAERO CCN(Cc1ccccc1)c1ccccc1[C@H](C)[NH3+] ZINC000020486577 171226370 /nfs/dbraw/zinc/22/63/70/171226370.db2.gz OKDCHZYZXRZXNQ-AWEZNQCLSA-N 1 0 254.377 3.733 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2cccc(C)c2)cc1Cl ZINC000020521876 171235289 /nfs/dbraw/zinc/23/52/89/171235289.db2.gz ZTLOSTIXHHQRHV-HNNXBMFYSA-N 1 0 261.752 3.705 10 0 CHAERO Cc1ccc(OCCC[NH2+]C(C)C)c(Br)c1 ZINC000020524959 171237667 /nfs/dbraw/zinc/23/76/67/171237667.db2.gz AOZFUTIJYILCGG-UHFFFAOYSA-N 1 0 286.213 3.524 10 0 CHAERO C[NH2+]CCCOc1ccc2cc(Br)ccc2c1 ZINC000020525264 171238240 /nfs/dbraw/zinc/23/82/40/171238240.db2.gz QCQABONKHFRAED-UHFFFAOYSA-N 1 0 294.192 3.591 10 0 CHAERO CC(C)c1cccc(O[C@H]2COc3ccccc3[C@@H]2[NH3+])c1 ZINC000020546444 171243866 /nfs/dbraw/zinc/24/38/66/171243866.db2.gz GQGOTYOCHLVRCI-ROUUACIJSA-N 1 0 283.371 3.650 10 0 CHAERO CC(C)c1ccc([C@@H]([NH3+])CN2CCc3ccccc32)cc1 ZINC000020548855 171245790 /nfs/dbraw/zinc/24/57/90/171245790.db2.gz QRLBKKMKBCVGSM-SFHVURJKSA-N 1 0 280.415 3.873 10 0 CHAERO Cc1cccc(OC[C@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020553978 171249267 /nfs/dbraw/zinc/24/92/67/171249267.db2.gz AXEVKNYJGFFJRE-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CCN1CCC[C@H]1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000020565593 171254108 /nfs/dbraw/zinc/25/41/08/171254108.db2.gz QLLZSLKRNNSQSC-ROUUACIJSA-N 1 0 274.452 3.848 10 0 CHAERO c1ccc2c(c1)CCC[C@H]2OCC[C@H]1CCCC[NH2+]1 ZINC000020593574 171263064 /nfs/dbraw/zinc/26/30/64/171263064.db2.gz ASCNAGANMXXVDQ-NVXWUHKLSA-N 1 0 259.393 3.613 10 0 CHAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020594429 171263318 /nfs/dbraw/zinc/26/33/18/171263318.db2.gz CZFZSAQLWGAJCQ-JCURWCKSSA-N 1 0 253.345 3.930 10 0 CHAERO Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000020595903 171264361 /nfs/dbraw/zinc/26/43/61/171264361.db2.gz PRPDWWTVAKJLKC-KRWDZBQOSA-N 1 0 284.378 3.821 10 0 CHAERO CCCOc1ccccc1C[NH2+]CCc1ccccc1F ZINC000020924496 171279876 /nfs/dbraw/zinc/27/98/76/171279876.db2.gz OOZVRXSWTVEOGW-UHFFFAOYSA-N 1 0 287.378 3.947 10 0 CHAERO [NH3+][C@@H]1c2ccccc2CCC[C@@H]1Oc1cccc(F)c1 ZINC000021008804 171285375 /nfs/dbraw/zinc/28/53/75/171285375.db2.gz BWTCVCSSOVLPCE-DLBZAZTESA-N 1 0 271.335 3.609 10 0 CHAERO CCc1ccc(O[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000021013941 171288765 /nfs/dbraw/zinc/28/87/65/171288765.db2.gz MKZDRTFSBOXCQD-GUYCJALGSA-N 1 0 255.361 3.716 10 0 CHAERO CCc1ccc(O[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000021013940 171288978 /nfs/dbraw/zinc/28/89/78/171288978.db2.gz MKZDRTFSBOXCQD-CXAGYDPISA-N 1 0 255.361 3.716 10 0 CHAERO c1csc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000021164019 171298844 /nfs/dbraw/zinc/29/88/44/171298844.db2.gz MLHLWIMYTCXXTQ-MRXNPFEDSA-N 1 0 266.369 3.731 10 0 CHAERO CCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000021502209 171305814 /nfs/dbraw/zinc/30/58/14/171305814.db2.gz YNFIUYUDQLVBNL-RDJZCZTQSA-N 1 0 262.441 3.848 10 0 CHAERO CCN(C[C@H]([NH3+])C(C)C)c1cccc2ccccc21 ZINC000021501723 171305919 /nfs/dbraw/zinc/30/59/19/171305919.db2.gz UEAQARRYJKFIOY-INIZCTEOSA-N 1 0 256.393 3.649 10 0 CHAERO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2)[C@@H]1C ZINC000021503837 171307034 /nfs/dbraw/zinc/30/70/34/171307034.db2.gz HVANAFAXZPQQBP-JMSVASOKSA-N 1 0 294.826 3.693 10 0 CHAERO CC(C)[C@H]([C@@H](N)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021513431 171311300 /nfs/dbraw/zinc/31/13/00/171311300.db2.gz VQXXZKPPMIZYOW-CIRFHOKZSA-N 1 0 274.452 3.689 10 0 CHAERO CCCC[N@H+](CC)C[C@@H](N)c1ccc(OCCC)cc1 ZINC000021515331 171311820 /nfs/dbraw/zinc/31/18/20/171311820.db2.gz XQEZKVIMWDOPKE-QGZVFWFLSA-N 1 0 278.440 3.597 10 0 CHAERO CCCc1ccc([C@H]([NH3+])COc2ccccc2)cc1 ZINC000021516219 171312238 /nfs/dbraw/zinc/31/22/38/171312238.db2.gz DFSVKZNIESRLBB-QGZVFWFLSA-N 1 0 255.361 3.718 10 0 CHAERO CC[NH+](CC)[C@H](CNc1nc(C)cs1)c1ccccc1 ZINC000021518397 171314660 /nfs/dbraw/zinc/31/46/60/171314660.db2.gz FFNNMRHYAPMQTM-OAHLLOKOSA-N 1 0 289.448 3.947 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](N)C23CC4CC(CC(C4)C2)C3)C1 ZINC000021789949 171323177 /nfs/dbraw/zinc/32/31/77/171323177.db2.gz DCKJSZFBAUSGMP-XJISEUOASA-N 1 0 290.495 3.508 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](CN)c2cccc3ccccc32)C1 ZINC000021789252 171323586 /nfs/dbraw/zinc/32/35/86/171323586.db2.gz TWACVIOHZPVSNY-CLCXKQKWSA-N 1 0 282.431 3.818 10 0 CHAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](N(CC)c2ccccc2C)C1 ZINC000021793895 171324765 /nfs/dbraw/zinc/32/47/65/171324765.db2.gz BXKQKFVMEBCSFD-VYDXJSESSA-N 1 0 260.425 3.727 10 0 CHAERO CCN(C[C@@H]([NH3+])c1cccc(OC)c1)c1ccccc1C ZINC000021810401 171328846 /nfs/dbraw/zinc/32/88/46/171328846.db2.gz BBLKFXJMAPEMMC-QGZVFWFLSA-N 1 0 284.403 3.530 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]CCCOCC2CC2)CC(C)(C)C1 ZINC000021811183 171329215 /nfs/dbraw/zinc/32/92/15/171329215.db2.gz FLIDLYUVSDWILQ-UKRRQHHQSA-N 1 0 253.430 3.608 10 0 CHAERO CCCCC[NH2+]Cc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000021813350 171330423 /nfs/dbraw/zinc/33/04/23/171330423.db2.gz AVFTXSOWWCLYDJ-ZDUSSCGKSA-N 1 0 277.408 3.689 10 0 CHAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000022015170 171349533 /nfs/dbraw/zinc/34/95/33/171349533.db2.gz MRRCMEJMLODJCD-ZDUSSCGKSA-N 1 0 276.380 3.501 10 0 CHAERO C[C@@H]1CCCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000022149376 171358077 /nfs/dbraw/zinc/35/80/77/171358077.db2.gz KOICOJOUPQQHKT-GDBMZVCRSA-N 1 0 253.430 3.894 10 0 CHAERO CCCC[N@H+](CC)[C@H](CN)c1c(C)cc(C)cc1C ZINC000022150062 171358259 /nfs/dbraw/zinc/35/82/59/171358259.db2.gz NPRYEGVBSAOVDD-MRXNPFEDSA-N 1 0 262.441 3.734 10 0 CHAERO [NH3+]C[C@@H](c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000022175666 171370326 /nfs/dbraw/zinc/37/03/26/171370326.db2.gz FDGJKNFKZLRMDH-AWEZNQCLSA-N 1 0 286.341 3.581 10 0 CHAERO Cc1cccc(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)c1C ZINC000022177950 171371690 /nfs/dbraw/zinc/37/16/90/171371690.db2.gz OZCJUPSREJFBKF-CYBMUJFWSA-N 1 0 268.360 3.575 10 0 CHAERO C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N(C)c2ccccc2)o1 ZINC000022218959 171376932 /nfs/dbraw/zinc/37/69/32/171376932.db2.gz CSQYHTXZDAMJPV-BPLDGKMQSA-N 1 0 270.376 3.539 10 0 CHAERO CC(C)(C)c1ccc(Oc2ccc(C[NH3+])cn2)cc1 ZINC000022222468 171378660 /nfs/dbraw/zinc/37/86/60/171378660.db2.gz AQYGYPFFBQOQAO-UHFFFAOYSA-N 1 0 256.349 3.630 10 0 CHAERO Cc1cc(Oc2ccc(C[NH3+])cn2)ccc1C(C)C ZINC000022223646 171379715 /nfs/dbraw/zinc/37/97/15/171379715.db2.gz SABZTXJIUXMBJA-UHFFFAOYSA-N 1 0 256.349 3.764 10 0 CHAERO CC(C)[NH2+][C@H](C)[C@H](O)c1ccc(SC(C)C)cc1 ZINC000033824833 171821694 /nfs/dbraw/zinc/82/16/94/171821694.db2.gz YOTVMXVDJKIXDI-DOMZBBRYSA-N 1 0 267.438 3.607 10 0 CHAERO CC(C)[C@H](c1ccccc1)[C@@H](O)CC[NH+]1CCCCC1 ZINC000033903720 171825410 /nfs/dbraw/zinc/82/54/10/171825410.db2.gz KJCWLPLAURMCOC-ZWKOTPCHSA-N 1 0 275.436 3.663 10 0 in-man CHAERO c1ccc(C[NH2+]CC2C3CC4CC(C3)CC2C4)cc1 ZINC000034459166 171840301 /nfs/dbraw/zinc/84/03/01/171840301.db2.gz UMQGDMASNCYFTJ-UHFFFAOYSA-N 1 0 255.405 3.849 10 0 CHAERO C[NH2+][C@@H](C)CCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000034821527 171874752 /nfs/dbraw/zinc/87/47/52/171874752.db2.gz JRDJBMPMXOPPMA-AWEZNQCLSA-N 1 0 287.378 3.945 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)s1)c1cc(F)cc(F)c1 ZINC000034939178 171899019 /nfs/dbraw/zinc/89/90/19/171899019.db2.gz ANAUVVLCBUYNKW-NSHDSACASA-N 1 0 259.708 3.728 10 0 CHAERO COc1ccc(C)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035012856 171930112 /nfs/dbraw/zinc/93/01/12/171930112.db2.gz ILRFYEZYHKICOQ-UHFFFAOYSA-N 1 0 285.431 3.918 10 0 CHAERO Cc1ccc(C(=O)[C@H](C)[NH+]2CCCCCCC2)cc1 ZINC000035036194 171942375 /nfs/dbraw/zinc/94/23/75/171942375.db2.gz ALHTWAQPLDKEGM-HNNXBMFYSA-N 1 0 259.393 3.832 10 0 CHAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052361 171953285 /nfs/dbraw/zinc/95/32/85/171953285.db2.gz PNQVERVKTDLUPJ-DGCLKSJQSA-N 1 0 275.421 3.807 10 0 CHAERO CC(C)CC[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000035163327 172024165 /nfs/dbraw/zinc/02/41/65/172024165.db2.gz OHRHFLHNFNQZPU-QGZVFWFLSA-N 1 0 254.377 3.807 10 0 CHAERO C[C@H]1CC(C)(C)C[C@](CN)([N@H+](C)C2CCCCC2)C1 ZINC000035176646 172029418 /nfs/dbraw/zinc/02/94/18/172029418.db2.gz VGXPGIUBORNBEI-WMLDXEAASA-N 1 0 266.473 3.795 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@](C)(CN)CCc1ccccc1 ZINC000035176719 172030171 /nfs/dbraw/zinc/03/01/71/172030171.db2.gz BUCPGQIFBGITNY-IBGZPJMESA-N 1 0 288.479 3.991 10 0 CHAERO Cc1cc(C)c([C@H]([NH3+])CN(C)Cc2ccccc2)c(C)c1 ZINC000035206603 172050583 /nfs/dbraw/zinc/05/05/83/172050583.db2.gz IRSIJKSQUXLQKU-GOSISDBHSA-N 1 0 282.431 3.744 10 0 CHAERO CC(C)[C@H]([C@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000035206600 172050750 /nfs/dbraw/zinc/05/07/50/172050750.db2.gz PSJJPWLLDPPLMW-RTBURBONSA-N 1 0 282.431 3.843 10 0 CHAERO CC[N@H+](C1CCCCC1)C1(CN)CCCCCC1 ZINC000035220711 172062506 /nfs/dbraw/zinc/06/25/06/172062506.db2.gz CKEKXLZGSICKFB-UHFFFAOYSA-N 1 0 252.446 3.693 10 0 CHAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000035224643 172068572 /nfs/dbraw/zinc/06/85/72/172068572.db2.gz TVBLEEZRJHUFTB-DOTOQJQBSA-N 1 0 290.451 3.620 10 0 CHAERO [NH3+][C@H](c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035379553 172162051 /nfs/dbraw/zinc/16/20/51/172162051.db2.gz AMKPMNBMWLOGJG-AWEZNQCLSA-N 1 0 263.793 3.938 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2cccc(Cl)c2)cc1F ZINC000035424307 172192666 /nfs/dbraw/zinc/19/26/66/172192666.db2.gz JRRLUXHQTJAREG-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000035462950 172210503 /nfs/dbraw/zinc/21/05/03/172210503.db2.gz NPZPPEINBUGCMK-GFCCVEGCSA-N 1 0 254.171 3.510 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000035462796 172210757 /nfs/dbraw/zinc/21/07/57/172210757.db2.gz GQFGTYUNPLEGOY-CQSZACIVSA-N 1 0 294.167 3.897 10 0 CHAERO CCOc1ccccc1[C@H]([NH2+]C)c1ccc(F)cc1 ZINC000035463874 172211604 /nfs/dbraw/zinc/21/16/04/172211604.db2.gz OUVRKWRUVRUTKK-MRXNPFEDSA-N 1 0 259.324 3.533 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Br ZINC000035463912 172211903 /nfs/dbraw/zinc/21/19/03/172211903.db2.gz MAOPDWPBVWTVEZ-AWEZNQCLSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000035464771 172212274 /nfs/dbraw/zinc/21/22/74/172212274.db2.gz VFMSMJGHOLFQEG-INIZCTEOSA-N 1 0 275.779 3.852 10 0 CHAERO C[NH2+][C@@H](c1ccccc1)c1cccc(OC(F)F)c1 ZINC000035464894 172212416 /nfs/dbraw/zinc/21/24/16/172212416.db2.gz CTOHBONHQDCUPV-AWEZNQCLSA-N 1 0 263.287 3.597 10 0 CHAERO C[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000035465017 172212521 /nfs/dbraw/zinc/21/25/21/172212521.db2.gz JJVUYKSEKDMPJP-AWEZNQCLSA-N 1 0 276.177 3.758 10 0 CHAERO C[NH2+][C@H](Cc1ccc(Br)cc1)c1ccccc1 ZINC000035465315 172213117 /nfs/dbraw/zinc/21/31/17/172213117.db2.gz KKHFKZKEWBCRKS-OAHLLOKOSA-N 1 0 290.204 3.952 10 0 CHAERO C[NH2+][C@H](c1ccc(C)cc1)c1ccc(C)c(OC)c1 ZINC000035466208 172213604 /nfs/dbraw/zinc/21/36/04/172213604.db2.gz BDZYSWKDOHBYHG-QGZVFWFLSA-N 1 0 255.361 3.621 10 0 CHAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000035466855 172215083 /nfs/dbraw/zinc/21/50/83/172215083.db2.gz PWNLBYPIYZTLQO-WBMJQRKESA-N 1 0 263.381 3.545 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1cc(F)ccc1F ZINC000035468572 172217752 /nfs/dbraw/zinc/21/77/52/172217752.db2.gz ABDBTRUEXKRKNA-GFCCVEGCSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@@H](c1c(F)cc(F)cc1F)C1CCCCC1 ZINC000035469528 172220629 /nfs/dbraw/zinc/22/06/29/172220629.db2.gz VASYALJTLKRANV-CQSZACIVSA-N 1 0 257.299 3.945 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1)c1c(F)cc(F)cc1F ZINC000035469612 172221081 /nfs/dbraw/zinc/22/10/81/172221081.db2.gz LNQBVRKHCCTXEB-AWEZNQCLSA-N 1 0 265.278 3.607 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1F)c1cc(C)ccc1C ZINC000035490002 172224390 /nfs/dbraw/zinc/22/43/90/172224390.db2.gz DGAMLOZFTYXXON-QGZVFWFLSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](c1ccc(C(C)(C)C)cc1)c1cccnc1 ZINC000035493537 172227153 /nfs/dbraw/zinc/22/71/53/172227153.db2.gz XSQGHWLCAYAQMQ-MRXNPFEDSA-N 1 0 254.377 3.688 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc2c(c1)CCC2 ZINC000035496791 172230487 /nfs/dbraw/zinc/23/04/87/172230487.db2.gz UAASHBDFCPJOQJ-HNNXBMFYSA-N 1 0 257.402 3.854 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1OC)c1ccc(Cl)s1 ZINC000035498053 172231280 /nfs/dbraw/zinc/23/12/80/172231280.db2.gz UFPXIWDDVKYQTJ-LLVKDONJSA-N 1 0 281.808 3.913 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(F)cc(F)c1 ZINC000035498250 172231631 /nfs/dbraw/zinc/23/16/31/172231631.db2.gz ZQXIUYPEYVGCRV-GFCCVEGCSA-N 1 0 273.735 3.989 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1Cc2ccccc2O1 ZINC000035498169 172231655 /nfs/dbraw/zinc/23/16/55/172231655.db2.gz JZRFZIIRUAPRAF-FZMZJTMJSA-N 1 0 279.792 3.666 10 0 CHAERO C[NH2+][C@H](c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000035501434 172235980 /nfs/dbraw/zinc/23/59/80/172235980.db2.gz CNVCIGQAEZJRMJ-LBPRGKRZSA-N 1 0 256.132 3.895 10 0 CHAERO CCOc1ccc(Br)cc1[C@H]([NH2+]C)C1CC1 ZINC000035505823 172239282 /nfs/dbraw/zinc/23/92/82/172239282.db2.gz ZOEBIVHEBHAGRA-CYBMUJFWSA-N 1 0 284.197 3.518 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(Br)c1)C1CC1 ZINC000035508504 172240933 /nfs/dbraw/zinc/24/09/33/172240933.db2.gz CHAKWSWDWUKGNZ-CYBMUJFWSA-N 1 0 284.197 3.518 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(Br)c1)[C@H]1C[C@@H]1C ZINC000035508665 172241072 /nfs/dbraw/zinc/24/10/72/172241072.db2.gz UIFUGNHPXBIWHD-CHIMOYNISA-N 1 0 298.224 3.764 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1F ZINC000035540855 172247697 /nfs/dbraw/zinc/24/76/97/172247697.db2.gz LNIYBCPREKNBQD-MRXNPFEDSA-N 1 0 259.324 3.533 10 0 CHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(OCC)cc1 ZINC000035541212 172248807 /nfs/dbraw/zinc/24/88/07/172248807.db2.gz BBFBGVSHAHVSBJ-MRXNPFEDSA-N 1 0 259.349 3.686 10 0 CHAERO CC[NH2+][C@H](c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC000035549063 172257160 /nfs/dbraw/zinc/25/71/60/172257160.db2.gz FQVZHFRXADUFAV-MRXNPFEDSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035570511 172266693 /nfs/dbraw/zinc/26/66/93/172266693.db2.gz GTRLYOUPMBQZDD-NSHDSACASA-N 1 0 284.190 3.610 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)C[C@H](C)O2 ZINC000035571069 172267696 /nfs/dbraw/zinc/26/76/96/172267696.db2.gz RQRCSAJEONDPNG-JOYOIKCWSA-N 1 0 273.298 3.613 10 0 CHAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(OC)c(F)c1 ZINC000035572177 172268257 /nfs/dbraw/zinc/26/82/57/172268257.db2.gz GZZGNMAVBROMKC-IAQYHMDHSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH+](CCC)Cn1c2ccccc2[nH]c1=S ZINC000035575564 172271748 /nfs/dbraw/zinc/27/17/48/172271748.db2.gz YGWPXHSMUJFFCQ-UHFFFAOYSA-N 1 0 263.410 3.778 10 0 CHAERO CCC[NH2+][C@@H](c1ccsc1)c1cc(F)ccc1OC ZINC000035583834 172282449 /nfs/dbraw/zinc/28/24/49/172282449.db2.gz KWRBOVOAYYGCEQ-HNNXBMFYSA-N 1 0 279.380 3.985 10 0 CHAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)[C@@H]1C[C@@H]1C ZINC000035583951 172282758 /nfs/dbraw/zinc/28/27/58/172282758.db2.gz PQZHDGDZZIIGPR-NVBFEUDRSA-N 1 0 251.345 3.531 10 0 CHAERO CCCC[C@@H](CC)[C@@H]([NH2+]CCC)c1cnn(C)c1 ZINC000035584160 172283427 /nfs/dbraw/zinc/28/34/27/172283427.db2.gz NKKODNRLEYPESO-UKRRQHHQSA-N 1 0 251.418 3.677 10 0 CHAERO CCC[NH2+][C@H](C)c1cc(Br)ccc1OCC ZINC000035586848 172286746 /nfs/dbraw/zinc/28/67/46/172286746.db2.gz ARLXBLDYVMQXSQ-SNVBAGLBSA-N 1 0 286.213 3.908 10 0 CHAERO CC[C@@H]([NH2+]CCC(=O)OC)c1ccc(Cl)cc1Cl ZINC000035625528 172304949 /nfs/dbraw/zinc/30/49/49/172304949.db2.gz RYRJCSAXWKPCPP-GFCCVEGCSA-N 1 0 290.190 3.597 10 0 CHAERO COc1ccc(COc2ccc(C)cc2[C@@H](C)[NH3+])cc1F ZINC000035629248 172309127 /nfs/dbraw/zinc/30/91/27/172309127.db2.gz XVRIBPLNQDCQIW-GFCCVEGCSA-N 1 0 289.350 3.741 10 0 CHAERO CCC[NH2+]Cc1c(OCCOCC)ccc2ccccc21 ZINC000035630677 172311905 /nfs/dbraw/zinc/31/19/05/172311905.db2.gz UWFPKHKEPJTGGP-UHFFFAOYSA-N 1 0 287.403 3.755 10 0 CHAERO Clc1ccc(Cl)c2c1OCC[C@H]2[NH2+]C1CC1 ZINC000035654237 172330517 /nfs/dbraw/zinc/33/05/17/172330517.db2.gz YLZNINFUNIOMIB-SNVBAGLBSA-N 1 0 258.148 3.569 10 0 CHAERO Clc1ccc(Cl)c2c1OCC[C@@H]2[NH2+]C1CC1 ZINC000035654239 172330774 /nfs/dbraw/zinc/33/07/74/172330774.db2.gz YLZNINFUNIOMIB-JTQLQIEISA-N 1 0 258.148 3.569 10 0 CHAERO CC[NH+](CC)CCOc1c(Cl)cc(Cl)cc1C=O ZINC000035662403 172340437 /nfs/dbraw/zinc/34/04/37/172340437.db2.gz UIQUPEANASQKKQ-UHFFFAOYSA-N 1 0 290.190 3.527 10 0 CHAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000035662063 172340509 /nfs/dbraw/zinc/34/05/09/172340509.db2.gz CCPJPVDGEYOKGH-UHFFFAOYSA-N 1 0 270.106 3.704 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1N(C)Cc1cccs1 ZINC000035717641 172371053 /nfs/dbraw/zinc/37/10/53/172371053.db2.gz DSTUUTCWOMNQAT-GFCCVEGCSA-N 1 0 260.406 3.665 10 0 CHAERO Cc1cc(Oc2ncccc2C[NH3+])cc(C)c1Cl ZINC000035719869 172374330 /nfs/dbraw/zinc/37/43/30/172374330.db2.gz RTNNUBFKKBQZII-UHFFFAOYSA-N 1 0 262.740 3.603 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1ccc(F)cc1 ZINC000035723592 172378494 /nfs/dbraw/zinc/37/84/94/172378494.db2.gz JFOQOXNPDIHIDC-BXUZGUMPSA-N 1 0 253.386 3.825 10 0 CHAERO [NH3+]Cc1ccc(COc2ccccc2Cl)c(F)c1 ZINC000035726402 172380485 /nfs/dbraw/zinc/38/04/85/172380485.db2.gz HCXGBWOYRHCQMU-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO Cc1cc(Cl)ccc1OCc1ccc(C[NH3+])cc1 ZINC000035726762 172380782 /nfs/dbraw/zinc/38/07/82/172380782.db2.gz ZQBCUNGKYVXXTJ-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO [NH3+]Cc1ccc(F)c(COc2ccccc2Cl)c1 ZINC000035726400 172380830 /nfs/dbraw/zinc/38/08/30/172380830.db2.gz OMVIDOXDRXGBTI-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738444 172392151 /nfs/dbraw/zinc/39/21/51/172392151.db2.gz FDUJVSVJSRYWRR-QWHCGFSZSA-N 1 0 259.349 3.570 10 0 CHAERO CC(C)(C)c1csc(C[C@H]([NH3+])c2ccccc2)n1 ZINC000036280048 172570575 /nfs/dbraw/zinc/57/05/75/172570575.db2.gz RPVMYRKZKCKBDL-LBPRGKRZSA-N 1 0 260.406 3.683 10 0 CHAERO CC(C)[C@H](C)N(C)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000036786942 172704748 /nfs/dbraw/zinc/70/47/48/172704748.db2.gz VSRRWNPMUWAISB-GWCFXTLKSA-N 1 0 289.250 3.970 10 0 CHAERO CC[N@H+]([C@H](CN)c1ccc(C)c(C)c1)C1CCCC1 ZINC000037180117 173013150 /nfs/dbraw/zinc/01/31/50/173013150.db2.gz IHEZQZNUNBFGPO-QGZVFWFLSA-N 1 0 260.425 3.568 10 0 CHAERO c1ccc(CC[NH2+][C@@H]2CSCc3ccccc32)cc1 ZINC000037202226 173026289 /nfs/dbraw/zinc/02/62/89/173026289.db2.gz GGTVQMXLBOAFJG-QGZVFWFLSA-N 1 0 269.413 3.807 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+][C@H]3CCCC[C@@H]3C)n12 ZINC000037211386 173032841 /nfs/dbraw/zinc/03/28/41/173032841.db2.gz PLFFATMGRKAKMY-GWCFXTLKSA-N 1 0 277.437 3.681 10 0 CHAERO CC(C)c1cccc(N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000037221053 173040550 /nfs/dbraw/zinc/04/05/50/173040550.db2.gz AEKKEOPWAKARAO-GOEBONIOSA-N 1 0 260.425 3.952 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)c1ccco1 ZINC000037260484 173070708 /nfs/dbraw/zinc/07/07/08/173070708.db2.gz HGTRWRADPVVZCX-NWDGAFQWSA-N 1 0 257.333 3.626 10 0 CHAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000037316083 173117731 /nfs/dbraw/zinc/11/77/31/173117731.db2.gz NFPRNMNFIOYMFH-KFWWJZLASA-N 1 0 277.433 3.771 10 0 CHAERO CC(C)CC[C@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000037332305 173133423 /nfs/dbraw/zinc/13/34/23/173133423.db2.gz DBBYTIUKYQTSLD-ZDUSSCGKSA-N 1 0 283.799 3.937 10 0 CHAERO CC[C@H](C(=O)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037331868 173133457 /nfs/dbraw/zinc/13/34/57/173133457.db2.gz QGYKWSOFMCWJIP-IJEWVQPXSA-N 1 0 259.393 3.626 10 0 CHAERO CC[C@H](C)[N@H+](CC)CC(=O)c1c(C)cc(C)cc1C ZINC000037336714 173137563 /nfs/dbraw/zinc/13/75/63/173137563.db2.gz ZJFCFYAXOGKZDU-HNNXBMFYSA-N 1 0 261.409 3.915 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c(N)cccc2Br)C1 ZINC000037401817 173178157 /nfs/dbraw/zinc/17/81/57/173178157.db2.gz HEOFDTGJHSXGJG-PHIMTYICSA-N 1 0 297.240 3.509 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2c(N)cccc2Br)C1 ZINC000037401823 173178529 /nfs/dbraw/zinc/17/85/29/173178529.db2.gz HEOFDTGJHSXGJG-GHMZBOCLSA-N 1 0 297.240 3.509 10 0 CHAERO CCn1c2c(cccc2Cl)nc1[C@H]([NH3+])CC(C)C ZINC000037443875 173212151 /nfs/dbraw/zinc/21/21/51/173212151.db2.gz VUPNMNVLZJUVTL-LLVKDONJSA-N 1 0 265.788 3.756 10 0 CHAERO [NH3+]C1(Cc2ccccc2Br)CCCCC1 ZINC000037463450 173225198 /nfs/dbraw/zinc/22/51/98/173225198.db2.gz SMUKLURLWKPWFV-UHFFFAOYSA-N 1 0 268.198 3.653 10 0 CHAERO COc1ccc([C@](C)([NH3+])CCc2ccccc2)cc1 ZINC000037531772 173253519 /nfs/dbraw/zinc/25/35/19/173253519.db2.gz WNUQTCILCSNYKB-QGZVFWFLSA-N 1 0 255.361 3.502 10 0 CHAERO C[NH2+][C@H](CCOc1ccccc1)c1cccc(F)c1 ZINC000037533137 173253691 /nfs/dbraw/zinc/25/36/91/173253691.db2.gz UTNWACKATPKIAG-MRXNPFEDSA-N 1 0 259.324 3.555 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000037534307 173254324 /nfs/dbraw/zinc/25/43/24/173254324.db2.gz JWZSTAGCQHEAFY-KRWDZBQOSA-N 1 0 257.352 3.589 10 0 CHAERO [NH3+][C@H](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000037533780 173254381 /nfs/dbraw/zinc/25/43/81/173254381.db2.gz NILIFDQABHVIKU-OAHLLOKOSA-N 1 0 290.204 3.562 10 0 CHAERO CCCn1c(CC[NH2+]C(C)C)nc2cc(Cl)ccc21 ZINC000037599826 173553142 /nfs/dbraw/zinc/55/31/42/173553142.db2.gz MZWXOGSCOJNKAM-UHFFFAOYSA-N 1 0 279.815 3.640 10 0 CHAERO C[C@@H]([NH3+])c1cccc(OCc2cccc(Cl)c2)c1 ZINC000037698264 173622170 /nfs/dbraw/zinc/62/21/70/173622170.db2.gz LPZABAGQJXXIIW-LLVKDONJSA-N 1 0 261.752 3.939 10 0 CHAERO C[C@H]([NH3+])c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000037697523 173622373 /nfs/dbraw/zinc/62/23/73/173622373.db2.gz FYVNBAUABLCPMD-NSHDSACASA-N 1 0 261.752 3.939 10 0 CHAERO CCOc1cccc(C[C@@H]([NH3+])CC)c1O[C@@H](C)CC ZINC000037728577 173648352 /nfs/dbraw/zinc/64/83/52/173648352.db2.gz WJGKKLDNNUAVNT-JSGCOSHPSA-N 1 0 265.397 3.542 10 0 CHAERO CC[C@@H](Cc1ccc(F)c(Br)c1)[C@@H](C)[NH3+] ZINC000038004300 173965705 /nfs/dbraw/zinc/96/57/05/173965705.db2.gz HFLNOJHNZPAYKM-SCZZXKLOSA-N 1 0 274.177 3.504 10 0 CHAERO C[C@@H](C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCCC1 ZINC000038029042 174018278 /nfs/dbraw/zinc/01/82/78/174018278.db2.gz VRUMKBHJDXHODN-FJIDUMEYSA-N 1 0 278.484 3.809 10 0 CHAERO Cc1noc(C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)n1 ZINC000038034106 174032056 /nfs/dbraw/zinc/03/20/56/174032056.db2.gz KJDQKHRRWHVGPS-HUUCEWRRSA-N 1 0 277.412 3.607 10 0 CHAERO Fc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)c1 ZINC000038039143 174039428 /nfs/dbraw/zinc/03/94/28/174039428.db2.gz NUEFKFQKFPMVFH-DUFXMDAXSA-N 1 0 296.183 3.642 10 0 CHAERO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)c(Cl)c1 ZINC000038044513 174052094 /nfs/dbraw/zinc/05/20/94/174052094.db2.gz FYGVYNXKZABRFS-GHMZBOCLSA-N 1 0 271.763 3.556 10 0 CHAERO CC(C)CCC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000038054741 174066285 /nfs/dbraw/zinc/06/62/85/174066285.db2.gz ITZQQWZFWVFWDZ-UHFFFAOYSA-N 1 0 269.772 3.595 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000038070480 174081552 /nfs/dbraw/zinc/08/15/52/174081552.db2.gz HCZAFPIEYUIZLY-LBPRGKRZSA-N 1 0 271.360 3.651 10 0 CHAERO CC[NH2+]Cc1cc(-c2ccc(F)cc2)ccc1OC ZINC000038070804 174081587 /nfs/dbraw/zinc/08/15/87/174081587.db2.gz DXZBEUQQGJNOJF-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO Fc1ccc(-c2cc(C[NH2+]C3CC3)ccc2F)cc1 ZINC000038070802 174081643 /nfs/dbraw/zinc/08/16/43/174081643.db2.gz DCPQBQFCFCRLES-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2ccc(OC)c(F)c2)c1 ZINC000038073715 174084004 /nfs/dbraw/zinc/08/40/04/174084004.db2.gz AJUYLOVDQQDYAO-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO Cc1cc(C)cc(C[C@]2([NH3+])CCc3ccccc32)c1 ZINC000038077110 174087409 /nfs/dbraw/zinc/08/74/09/174087409.db2.gz BYZRSBCAZYGUOK-GOSISDBHSA-N 1 0 251.373 3.646 10 0 CHAERO C[NH2+]Cc1ccccc1OCc1cc(C)cc(C)c1 ZINC000038076680 174087719 /nfs/dbraw/zinc/08/77/19/174087719.db2.gz DZJPNFHYRTWUHF-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO Cc1cc(C)cc(C[C@@](C)([NH3+])c2cccc(F)c2)c1 ZINC000038077123 174087746 /nfs/dbraw/zinc/08/77/46/174087746.db2.gz XOPURDKQPFCDTL-QGZVFWFLSA-N 1 0 257.352 3.859 10 0 CHAERO Cc1c2ccccc2sc1[C@H](C)[NH2+]C[C@H](C)N(C)C ZINC000038087354 174099897 /nfs/dbraw/zinc/09/98/97/174099897.db2.gz PHNMEPOVFGIWHZ-AAEUAGOBSA-N 1 0 276.449 3.810 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCCO2)c(C)c1 ZINC000038095613 174109347 /nfs/dbraw/zinc/10/93/47/174109347.db2.gz VGCJUSDMNRQVJL-JKSUJKDBSA-N 1 0 261.409 3.832 10 0 CHAERO Clc1ccccc1C1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096149 174110022 /nfs/dbraw/zinc/11/00/22/174110022.db2.gz WYHYAXOBBWVCOK-RUXDESIVSA-N 1 0 279.811 3.745 10 0 CHAERO Fc1cccc2c1SCC[C@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038096356 174110155 /nfs/dbraw/zinc/11/01/55/174110155.db2.gz PSNOCTADHZVDSP-SMDDNHRTSA-N 1 0 281.396 3.521 10 0 CHAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1ccccc1Br ZINC000038129166 174131892 /nfs/dbraw/zinc/13/18/92/174131892.db2.gz CSWJLBXWNHMFMV-AWEZNQCLSA-N 1 0 294.167 3.831 10 0 CHAERO C[NH2+][C@@H](Cc1cccs1)c1cc(F)ccc1F ZINC000038132747 174132104 /nfs/dbraw/zinc/13/21/04/174132104.db2.gz NOENAWMBQVGECC-ZDUSSCGKSA-N 1 0 253.317 3.530 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1OC)c1cccc(C)c1 ZINC000038134879 174132650 /nfs/dbraw/zinc/13/26/50/174132650.db2.gz OHISMYVCDQRILU-MRXNPFEDSA-N 1 0 255.361 3.507 10 0 CHAERO Nc1cc[nH+]cc1Oc1ccc(Cl)cc1Cl ZINC000038351796 174140542 /nfs/dbraw/zinc/14/05/42/174140542.db2.gz LPGSPMPKOMBZNM-UHFFFAOYSA-N 1 0 255.104 3.763 10 0 CHAERO CC(C)CC[NH2+]CCOc1ccc2ccccc2c1 ZINC000038437436 174141502 /nfs/dbraw/zinc/14/15/02/174141502.db2.gz WZPBJSXSGPTNDZ-UHFFFAOYSA-N 1 0 257.377 3.854 10 0 CHAERO CCOCCCn1c2ccccc2nc1[C@H]([NH3+])CC(C)C ZINC000040163873 174196904 /nfs/dbraw/zinc/19/69/04/174196904.db2.gz AXXOTCSIIXJKBR-CQSZACIVSA-N 1 0 289.423 3.509 10 0 CHAERO Cc1ccc(-c2nc3ccccc3n2CCC[NH+](C)C)cc1 ZINC000040389666 174252505 /nfs/dbraw/zinc/25/25/05/174252505.db2.gz VPUFBVCQEQZJOC-UHFFFAOYSA-N 1 0 293.414 3.963 10 0 CHAERO C[NH+](C)CCCn1c2cc(Cl)ccc2nc1C1CC1 ZINC000040404190 174253589 /nfs/dbraw/zinc/25/35/89/174253589.db2.gz LAWNKOCGKTURIY-UHFFFAOYSA-N 1 0 277.799 3.519 10 0 CHAERO CC(C)c1nc2ccc(Cl)cc2n1CCC[NH+](C)C ZINC000040404152 174253603 /nfs/dbraw/zinc/25/36/03/174253603.db2.gz SGTAPGYMUCNRFK-UHFFFAOYSA-N 1 0 279.815 3.765 10 0 CHAERO Cc1ccc(Cl)c(OCC[NH2+]C2CCCCC2)c1 ZINC000041386907 174542841 /nfs/dbraw/zinc/54/28/41/174542841.db2.gz BYBGSCRKSPTWSD-UHFFFAOYSA-N 1 0 267.800 3.950 10 0 CHAERO CC[NH+](CC)CC[C@H](O)c1ccc(Cl)cc1Cl ZINC000041629575 174586344 /nfs/dbraw/zinc/58/63/44/174586344.db2.gz DNQHHKFWZQKNER-ZDUSSCGKSA-N 1 0 276.207 3.759 10 0 CHAERO Clc1ccc(Cl)c(SCC[NH2+]C2CC2)c1 ZINC000042222351 174659755 /nfs/dbraw/zinc/65/97/55/174659755.db2.gz HMUCIMQLTDPHFW-UHFFFAOYSA-N 1 0 262.205 3.838 10 0 CHAERO CCc1cccc(O[C@@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000042903801 174907151 /nfs/dbraw/zinc/90/71/51/174907151.db2.gz CRYKVUBUYPJDJO-SUMWQHHRSA-N 1 0 255.361 3.716 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccn1)c1ccc(F)cc1 ZINC000042943198 174918978 /nfs/dbraw/zinc/91/89/78/174918978.db2.gz BBCIIQYCYVCEPV-HIFRSBDPSA-N 1 0 276.380 3.791 10 0 CHAERO CCC(C)(C)O[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042949286 174923209 /nfs/dbraw/zinc/92/32/09/174923209.db2.gz GHRYETFJEIUENM-MFKMUULPSA-N 1 0 255.789 3.934 10 0 CHAERO CC[C@H]([NH3+])[C@H](OCC1CC1)c1ccc(Br)cc1 ZINC000042957744 174924727 /nfs/dbraw/zinc/92/47/27/174924727.db2.gz QVRSZRAETFHSEN-UONOGXRCSA-N 1 0 298.224 3.654 10 0 CHAERO CCCS[C@@H](c1ccc(OC)cc1)[C@H]([NH3+])CC ZINC000042964841 174928290 /nfs/dbraw/zinc/92/82/90/174928290.db2.gz BBEDGFIVAFCWBH-KGLIPLIRSA-N 1 0 253.411 3.617 10 0 CHAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccccc1Cl ZINC000043038520 174952853 /nfs/dbraw/zinc/95/28/53/174952853.db2.gz AMTAEVGCARIGDB-HNNXBMFYSA-N 1 0 261.752 3.727 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N1CCc2sccc2C1 ZINC000043102301 174968279 /nfs/dbraw/zinc/96/82/79/174968279.db2.gz VUSDXIKZFRCUAZ-DOMZBBRYSA-N 1 0 292.473 3.646 10 0 CHAERO Cc1cccc(O[C@@H](c2cccs2)[C@@H](C)[NH3+])c1C ZINC000043108020 174972945 /nfs/dbraw/zinc/97/29/45/174972945.db2.gz HGMRTXGWJWKGDP-IUODEOHRSA-N 1 0 261.390 3.832 10 0 CHAERO Nc1cc[nH+]c(Nc2cc(Cl)cc(Cl)c2)c1 ZINC000043568642 175067432 /nfs/dbraw/zinc/06/74/32/175067432.db2.gz AJAJROLVTLZXBT-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO CCc1ccc(C([NH3+])c2ccc(CC)s2)s1 ZINC000043639760 175084138 /nfs/dbraw/zinc/08/41/38/175084138.db2.gz ZPUQUIPPNBIZLE-UHFFFAOYSA-N 1 0 251.420 3.983 10 0 CHAERO C[NH2+][C@@H](CCc1cc(Br)cs1)C(C)C ZINC000043688054 175095041 /nfs/dbraw/zinc/09/50/41/175095041.db2.gz YWZJZMVDMVEGFW-NSHDSACASA-N 1 0 276.243 3.687 10 0 CHAERO CCCc1ccc([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121866 175143121 /nfs/dbraw/zinc/14/31/21/175143121.db2.gz JICXLKONOIVWJB-DAYGRLMNSA-N 1 0 275.436 3.935 10 0 CHAERO O[C@@H]1CCCCC[C@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000044126144 175144188 /nfs/dbraw/zinc/14/41/88/175144188.db2.gz UFZNLCJSEVPVGE-RTBURBONSA-N 1 0 287.447 3.635 10 0 CHAERO Cc1ccc([C@@H](O)C[NH+](CC(C)C)CC(C)C)cc1 ZINC000044162809 175148070 /nfs/dbraw/zinc/14/80/70/175148070.db2.gz IVZNJKUTKGIYSS-KRWDZBQOSA-N 1 0 263.425 3.642 10 0 CHAERO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CCOCC ZINC000044469427 175177730 /nfs/dbraw/zinc/17/77/30/175177730.db2.gz APZRJUKSSOGCKK-ZNMIVQPWSA-N 1 0 255.446 3.854 10 0 CHAERO CCC[C@H](CCc1cc(Br)cs1)[NH2+]C ZINC000044471117 175177745 /nfs/dbraw/zinc/17/77/45/175177745.db2.gz GWJAXUBSPKLYHL-SNVBAGLBSA-N 1 0 276.243 3.831 10 0 CHAERO c1ccc(Oc2cccc(C[C@]34C[C@H]3C[NH2+]C4)c2)cc1 ZINC000575141535 335071922 /nfs/dbraw/zinc/07/19/22/335071922.db2.gz SEHZKUMTEZQRIV-MAUKXSAKSA-N 1 0 265.356 3.631 10 0 CHAERO CCC[C@@H]([NH2+]CC)[C@H](CC)Oc1cc(F)ccc1F ZINC000071167421 176049255 /nfs/dbraw/zinc/04/92/55/176049255.db2.gz CLTJLOCUUJOILF-KGLIPLIRSA-N 1 0 271.351 3.900 10 0 CHAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cc(F)ccc1F ZINC000071168953 176050024 /nfs/dbraw/zinc/05/00/24/176050024.db2.gz KNQBJYBOQVAZFN-RISCZKNCSA-N 1 0 269.335 3.512 10 0 CHAERO CCCN([C@@H](C)c1ccc(F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071314607 176121285 /nfs/dbraw/zinc/12/12/85/176121285.db2.gz GURHKAUHMMLSFL-AAEUAGOBSA-N 1 0 284.806 3.614 10 0 CHAERO CC[NH2+]Cc1ccc(OCC2CC2)c(C(F)(F)F)c1 ZINC000071398657 176151919 /nfs/dbraw/zinc/15/19/19/176151919.db2.gz BTDVJCLSNLKDIH-UHFFFAOYSA-N 1 0 273.298 3.604 10 0 CHAERO CCc1ccc(Oc2ccc(CCC[NH3+])cc2)cc1 ZINC000071576737 176204754 /nfs/dbraw/zinc/20/47/54/176204754.db2.gz YHQDTQFNRMMBEJ-UHFFFAOYSA-N 1 0 255.361 3.933 10 0 CHAERO CCCCc1ccc([C@H]([C@H](C)N)[NH+]2CCCC2)cc1 ZINC000071587075 176214220 /nfs/dbraw/zinc/21/42/20/176214220.db2.gz AVRPZTCMOASPCP-YOEHRIQHSA-N 1 0 260.425 3.513 10 0 CHAERO CCCCc1ccc([C@@H]([C@H](C)N)[NH+]2CCCC2)cc1 ZINC000071587074 176214262 /nfs/dbraw/zinc/21/42/62/176214262.db2.gz AVRPZTCMOASPCP-WMLDXEAASA-N 1 0 260.425 3.513 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2Cc1ccccc1 ZINC000071630432 176235896 /nfs/dbraw/zinc/23/58/96/176235896.db2.gz WXUYMALCQWCXFB-GOSISDBHSA-N 1 0 279.383 3.614 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2c1ccc(C)cc1 ZINC000071630431 176235969 /nfs/dbraw/zinc/23/59/69/176235969.db2.gz WFEMBNWCFDLLET-SFHVURJKSA-N 1 0 279.383 3.728 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2c1ccc(C)cc1 ZINC000071631842 176236752 /nfs/dbraw/zinc/23/67/52/176236752.db2.gz XSEOILXEQUMWJO-GOSISDBHSA-N 1 0 281.399 3.974 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2c1cccc(C)c1 ZINC000071631840 176236789 /nfs/dbraw/zinc/23/67/89/176236789.db2.gz INOQRFMFRXSJDN-GOSISDBHSA-N 1 0 281.399 3.974 10 0 CHAERO [NH3+]CC1(c2ccccc2Br)CC2(C1)CCCC2 ZINC000076563465 177039389 /nfs/dbraw/zinc/03/93/89/177039389.db2.gz XGWCDLJYDBHLFX-UHFFFAOYSA-N 1 0 294.236 4.000 10 0 CHAERO [NH3+]CC1(c2ccc(Br)cc2)CC2(C1)CCCC2 ZINC000076563464 177039407 /nfs/dbraw/zinc/03/94/07/177039407.db2.gz RARYKFRRNBGOPS-UHFFFAOYSA-N 1 0 294.236 4.000 10 0 CHAERO Cc1ccccc1[C@@H](CC[NH3+])COc1ccccc1 ZINC000076660537 177048687 /nfs/dbraw/zinc/04/86/87/177048687.db2.gz VATKZVDPGQTKKP-HNNXBMFYSA-N 1 0 255.361 3.506 10 0 CHAERO Cc1ccc(Cl)cc1NC(=O)C[C@H](C[NH3+])CC(C)C ZINC000076763258 177086569 /nfs/dbraw/zinc/08/65/69/177086569.db2.gz JPJDULWSJMLIAE-GFCCVEGCSA-N 1 0 282.815 3.598 10 0 CHAERO COCc1c2cc(Cl)ccc2oc1C[NH2+]C(C)C ZINC000077069930 177184753 /nfs/dbraw/zinc/18/47/53/177184753.db2.gz ADJSFJAZSFQYKI-UHFFFAOYSA-N 1 0 267.756 3.731 10 0 CHAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191694568 227131089 /nfs/dbraw/zinc/13/10/89/227131089.db2.gz VIDUDMRWXHNQOD-XNCJUZBTSA-N 1 0 280.618 3.662 10 0 CHAERO Cc1ccncc1-c1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000333241942 228194704 /nfs/dbraw/zinc/19/47/04/228194704.db2.gz WMXZTWOSVAFEPY-HNNXBMFYSA-N 1 0 298.390 3.520 10 0 CHAERO COCc1cc([C@@H](C)[NH2+][C@H](C)C(C)C)ccc1OC ZINC000035660733 260033503 /nfs/dbraw/zinc/03/35/03/260033503.db2.gz JYPKMNITJHJJLU-CHWSQXEVSA-N 1 0 265.397 3.537 10 0 CHAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179621867 260058387 /nfs/dbraw/zinc/05/83/87/260058387.db2.gz IGHJJOQPBACDNG-BTKRWWFXSA-N 1 0 299.336 3.983 10 0 CHAERO CC[C@H]([NH2+][C@H](CC(C)C)CN(C)C)c1ccc(OC)cc1 ZINC000037166867 260071839 /nfs/dbraw/zinc/07/18/39/260071839.db2.gz GIVHHHNNCSFIER-AEFFLSMTSA-N 1 0 292.467 3.712 10 0 CHAERO c1ccc2c(c1)OC[C@H]2Nc1cc[nH+]c2ccccc12 ZINC000070079345 260151281 /nfs/dbraw/zinc/15/12/81/260151281.db2.gz TYXTZGJZHICAIV-MRXNPFEDSA-N 1 0 262.312 3.780 10 0 CHAERO CCCCC1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000070176571 260153161 /nfs/dbraw/zinc/15/31/61/260153161.db2.gz OYNHFBHMWAAMTJ-VXLLPVPCSA-N 1 0 294.483 3.569 10 0 CHAERO C[C@@H](NCc1ncc[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000070939254 260158480 /nfs/dbraw/zinc/15/84/80/260158480.db2.gz XGFXECKHJJIOKN-CQSZACIVSA-N 1 0 277.371 3.928 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)C1 ZINC000078005393 260167503 /nfs/dbraw/zinc/16/75/03/260167503.db2.gz OHFBAEFTXBLBBG-CABCVRRESA-N 1 0 271.408 3.513 10 0 CHAERO CCCn1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000091013317 260264774 /nfs/dbraw/zinc/26/47/74/260264774.db2.gz ZEAVXMSIGQUIKK-UHFFFAOYSA-N 1 0 280.774 3.980 10 0 CHAERO CCn1cccc1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000091023675 260265222 /nfs/dbraw/zinc/26/52/22/260265222.db2.gz NRKNSNMXOMYPNU-LLVKDONJSA-N 1 0 264.319 3.637 10 0 CHAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)cn1 ZINC000092195346 260268129 /nfs/dbraw/zinc/26/81/29/260268129.db2.gz OZOURVRXLFZICE-ZBEGNZNMSA-N 1 0 256.324 3.559 10 0 CHAERO Cc1noc(C)c1C[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000092328782 260269228 /nfs/dbraw/zinc/26/92/28/260269228.db2.gz SWKFPNKJLCWWFI-UHFFFAOYSA-N 1 0 270.376 3.636 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C)o1)CC2 ZINC000092835876 260272687 /nfs/dbraw/zinc/27/26/87/260272687.db2.gz ASKUFKVGRXTRFO-WBMJQRKESA-N 1 0 271.360 3.935 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H](C)CCO)c1ccccc1 ZINC000093248988 260273366 /nfs/dbraw/zinc/27/33/66/260273366.db2.gz TUYRUXJHISYQBL-KXBFYZLASA-N 1 0 283.415 3.693 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1cccc(Cl)c1 ZINC000040502209 260285400 /nfs/dbraw/zinc/28/54/00/260285400.db2.gz UYRGJSREFPIZBL-CVEARBPZSA-N 1 0 280.843 3.865 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000090176254 260336452 /nfs/dbraw/zinc/33/64/52/260336452.db2.gz NHEJTJQMUQHPRQ-SUHUHFCYSA-N 1 0 251.345 3.674 10 0 CHAERO C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000130060918 260392350 /nfs/dbraw/zinc/39/23/50/260392350.db2.gz KASDETJVKDTFKL-XHDPSFHLSA-N 1 0 288.778 3.615 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000131957069 260430892 /nfs/dbraw/zinc/43/08/92/260430892.db2.gz IMWDWDADRYCAQI-BIGNPOOSSA-N 1 0 280.209 3.898 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1CCCC1)CC2 ZINC000092837482 261061043 /nfs/dbraw/zinc/06/10/43/261061043.db2.gz RNSFAFCJGYDNAR-SJCJKPOMSA-N 1 0 259.393 3.851 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000300415767 261199596 /nfs/dbraw/zinc/19/95/96/261199596.db2.gz YWUNTXVGAQDZGF-FRFSOERESA-N 1 0 269.392 3.712 10 0 CHAERO Cc1ccccc1CCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000175972422 261257794 /nfs/dbraw/zinc/25/77/94/261257794.db2.gz ZXKAGPFLLPZURK-GOSISDBHSA-N 1 0 283.419 3.878 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000106225648 261323491 /nfs/dbraw/zinc/32/34/91/261323491.db2.gz JXXSRJCPIWYJPB-MRXNPFEDSA-N 1 0 289.810 3.682 10 0 CHAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)C2)c1 ZINC000106219821 261323791 /nfs/dbraw/zinc/32/37/91/261323791.db2.gz KRVVOBVQZSZCAN-YOEHRIQHSA-N 1 0 287.382 3.729 10 0 CHAERO Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664134 261339883 /nfs/dbraw/zinc/33/98/83/261339883.db2.gz VUYUOKLOCWPNQN-WMZOPIPTSA-N 1 0 295.430 3.855 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000020207372 262200110 /nfs/dbraw/zinc/20/01/10/262200110.db2.gz KNJYDERDZWSEEL-VBQJREDUSA-N 1 0 277.408 3.694 10 0 CHAERO Cc1ccc(C[NH2+][C@@H](C)COCc2ccccc2)c(C)c1 ZINC000390603872 262225988 /nfs/dbraw/zinc/22/59/88/262225988.db2.gz ZPYYPBRDCJMRCH-KRWDZBQOSA-N 1 0 283.415 3.998 10 0 CHAERO CC(C)CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000020549344 262249053 /nfs/dbraw/zinc/24/90/53/262249053.db2.gz PZQUGNNDJZIKJZ-CRAIPNDOSA-N 1 0 291.435 3.769 10 0 CHAERO CC(C)OCCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000228564087 262342807 /nfs/dbraw/zinc/34/28/07/262342807.db2.gz OUYVSFJYJASEFU-CABCVRRESA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)(CO)CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000393442620 262360118 /nfs/dbraw/zinc/36/01/18/262360118.db2.gz XSTLKRBSODMDRQ-CABCVRRESA-N 1 0 269.473 3.980 10 0 CHAERO Cc1cccc([C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157479171 264390361 /nfs/dbraw/zinc/39/03/61/264390361.db2.gz HJLMKFYNAQFXEB-VHSSKADRSA-N 1 0 266.388 3.790 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000093585355 265186653 /nfs/dbraw/zinc/18/66/53/265186653.db2.gz VZBRBOIAYCNREY-CZUORRHYSA-N 1 0 297.801 3.606 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1F ZINC000094952936 265277899 /nfs/dbraw/zinc/27/78/99/265277899.db2.gz ARKCQDCBULEMAQ-LXZKKBNFSA-N 1 0 279.399 3.988 10 0 CHAERO CC[C@@H]1CSC(N[C@H](C)c2cc(C)sc2C)=[NH+]1 ZINC000049510481 523518944 /nfs/dbraw/zinc/51/89/44/523518944.db2.gz BSTBSXPAVKUNDT-MWLCHTKSSA-N 1 0 268.451 3.897 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1cccs1 ZINC000179094924 327799235 /nfs/dbraw/zinc/79/92/35/327799235.db2.gz ZYYMHRJVDUBJFJ-NWDGAFQWSA-N 1 0 261.390 3.652 10 0 CHAERO C[C@@H](c1cc(F)ccc1F)N1CC[NH2+]Cc2ccccc21 ZINC000062818039 327895596 /nfs/dbraw/zinc/89/55/96/327895596.db2.gz GPIJTKNVPUKQOG-LBPRGKRZSA-N 1 0 288.341 3.636 10 0 CHAERO Fc1ccc(N[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000040671184 328015385 /nfs/dbraw/zinc/01/53/85/328015385.db2.gz MHEHQCMVAJIAOC-GOSISDBHSA-N 1 0 284.378 3.555 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000110820699 328314313 /nfs/dbraw/zinc/31/43/13/328314313.db2.gz ICLZTXUUZLBBGK-MEBBXXQBSA-N 1 0 294.236 3.695 10 0 CHAERO Cc1cccc(C2CC([NH2+][C@@H](C)c3ccccn3)C2)c1 ZINC000036843165 326829142 /nfs/dbraw/zinc/82/91/42/326829142.db2.gz CSLJMOQPCFTSGW-OOHWJJMZSA-N 1 0 266.388 3.987 10 0 CHAERO CCC[C@H]([NH2+][C@H](C)c1ncc(C)o1)C1CCCC1 ZINC000313421077 327128566 /nfs/dbraw/zinc/12/85/66/327128566.db2.gz DKOBYAZYYVWDGE-OCCSQVGLSA-N 1 0 250.386 3.993 10 0 CHAERO COc1ccc([C@H]([NH2+]CCCCSC)C2CC2)cc1 ZINC000091343640 327169516 /nfs/dbraw/zinc/16/95/16/327169516.db2.gz HCZBQULJQPIBOJ-MRXNPFEDSA-N 1 0 279.449 3.879 10 0 CHAERO CC[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccccc1 ZINC000053341384 327232241 /nfs/dbraw/zinc/23/22/41/327232241.db2.gz OXDLEIJSNCTZFU-KRWDZBQOSA-N 1 0 288.435 3.566 10 0 CHAERO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560235277 327291784 /nfs/dbraw/zinc/29/17/84/327291784.db2.gz GMGYQFNJSAVPMO-XQLPTFJDSA-N 1 0 255.446 3.994 10 0 CHAERO CC(C)OCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000168671369 327476832 /nfs/dbraw/zinc/47/68/32/327476832.db2.gz XIHZNIVXPJPFSN-INIZCTEOSA-N 1 0 261.409 3.715 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)CC(C)(C)C1 ZINC000300239860 332804260 /nfs/dbraw/zinc/80/42/60/332804260.db2.gz LAEQCHCBEPWQGO-HZSPNIEDSA-N 1 0 255.446 3.588 10 0 CHAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]1C ZINC000052273654 328642078 /nfs/dbraw/zinc/64/20/78/328642078.db2.gz QXRJIMQXYICWDZ-GXFFZTMASA-N 1 0 298.224 3.736 10 0 CHAERO CCCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1 ZINC000324325044 328739835 /nfs/dbraw/zinc/73/98/35/328739835.db2.gz IYCYPLUKNRGCRQ-CJNGLKHVSA-N 1 0 279.424 3.533 10 0 CHAERO COc1cc(C[N@@H+]2CCC[C@H]2c2ccco2)ccc1C ZINC000193938356 329064148 /nfs/dbraw/zinc/06/41/48/329064148.db2.gz WHLKJIPPBUVXRX-HNNXBMFYSA-N 1 0 271.360 3.934 10 0 CHAERO Clc1cccc(CN2CCC[C@H]2c2ccco2)n1 ZINC000173759364 329148201 /nfs/dbraw/zinc/14/82/01/329148201.db2.gz ZHBFBGJRMOGHHC-LBPRGKRZSA-N 1 0 262.740 3.665 10 0 CHAERO Cc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c(C)s1 ZINC000178323917 329198712 /nfs/dbraw/zinc/19/87/12/329198712.db2.gz TYEDFBJWYKLACF-INIZCTEOSA-N 1 0 289.448 3.534 10 0 CHAERO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000180136176 329213374 /nfs/dbraw/zinc/21/33/74/329213374.db2.gz GPYMWXDYYYPZNX-IUODEOHRSA-N 1 0 263.429 3.610 10 0 CHAERO CC[C@@H](Nc1cccc(-c2cnco2)c1)c1nccn1C ZINC000182833442 329244674 /nfs/dbraw/zinc/24/46/74/329244674.db2.gz UPLBLNAERBIGQU-CQSZACIVSA-N 1 0 282.347 3.638 10 0 CHAERO C[C@H](CC1CCCCC1)C[NH+]1CCC(n2cncn2)CC1 ZINC000183308522 329249098 /nfs/dbraw/zinc/24/90/98/329249098.db2.gz LNSFYUZRAPIYPA-OAHLLOKOSA-N 1 0 290.455 3.522 10 0 CHAERO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCN(C)c3ccccc32)c1 ZINC000184439795 329257852 /nfs/dbraw/zinc/25/78/52/329257852.db2.gz WCRHMSXXYZZKBO-HOTGVXAUSA-N 1 0 295.430 3.664 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000245771062 329747192 /nfs/dbraw/zinc/74/71/92/329747192.db2.gz MKKCVFNXIAYVLY-LLLHUVSDSA-N 1 0 259.393 3.603 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cc(F)c(F)c(F)c1 ZINC000248142481 329887748 /nfs/dbraw/zinc/88/77/48/329887748.db2.gz PUCNXLQYCLZXQK-UYFLLQICSA-N 1 0 299.336 3.568 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc2ccccc2n1 ZINC000248859725 329900917 /nfs/dbraw/zinc/90/09/17/329900917.db2.gz PQDYEFYQYMHJNJ-IYJAJMOOSA-N 1 0 296.414 3.843 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000248908016 329902158 /nfs/dbraw/zinc/90/21/58/329902158.db2.gz VAEFUUNJQQOSJB-MJXNMMHHSA-N 1 0 285.431 3.784 10 0 CHAERO c1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C2CC2)cc1 ZINC000248939012 329902663 /nfs/dbraw/zinc/90/26/63/329902663.db2.gz YPCQBNJWAXYRRG-KURKYZTESA-N 1 0 271.404 3.685 10 0 CHAERO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)ccc2n1 ZINC000249084248 329904378 /nfs/dbraw/zinc/90/43/78/329904378.db2.gz BESOQHVXBUGXFY-UHOSZYNNSA-N 1 0 296.414 3.590 10 0 CHAERO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc(F)c1 ZINC000249208285 329905521 /nfs/dbraw/zinc/90/55/21/329905521.db2.gz WXJIUOVOIUJNGC-QKPAOTATSA-N 1 0 277.383 3.680 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]CC2CCC(C)(C)CC2)o1 ZINC000336793868 329921154 /nfs/dbraw/zinc/92/11/54/329921154.db2.gz YSFNCPCXKCXBFZ-LBPRGKRZSA-N 1 0 250.386 3.850 10 0 CHAERO CCOc1ccc(C[NH2+][C@H](C)c2ccncc2Cl)cc1 ZINC000421825066 330083341 /nfs/dbraw/zinc/08/33/41/330083341.db2.gz LMJNPIGKJSWGAM-GFCCVEGCSA-N 1 0 290.794 3.985 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)c1ccco1 ZINC000379615233 330141726 /nfs/dbraw/zinc/14/17/26/330141726.db2.gz AKTAEYQPGUCCGF-AEFFLSMTSA-N 1 0 298.430 3.985 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CC(C)(C)C1 ZINC000036859340 330302400 /nfs/dbraw/zinc/30/24/00/330302400.db2.gz OMNWDNDJBPJBSQ-KFWWJZLASA-N 1 0 278.440 3.687 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCc2ccccc2)c1C ZINC000045168047 330340638 /nfs/dbraw/zinc/34/06/38/330340638.db2.gz KBEYEGWFNAVYDB-CQSZACIVSA-N 1 0 285.435 3.803 10 0 CHAERO CCC[C@@H]1C[NH2+]C[C@H]1c1cccc(Br)c1 ZINC000536955216 330383062 /nfs/dbraw/zinc/38/30/62/330383062.db2.gz VMSWGUDTNSJXGD-YPMHNXCESA-N 1 0 268.198 3.552 10 0 CHAERO CC(C)(C)c1csc([C@H]2CN(C3CCCC3)CCO2)n1 ZINC000120174614 330385978 /nfs/dbraw/zinc/38/59/78/330385978.db2.gz YMTVOGSRVOTCND-CYBMUJFWSA-N 1 0 294.464 3.757 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(OC(F)(F)F)c1 ZINC000120555633 330389477 /nfs/dbraw/zinc/38/94/77/330389477.db2.gz WXBVPHSPCCSBHP-AUTRQRHGSA-N 1 0 259.271 3.644 10 0 CHAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(C)ccc1Cl ZINC000120715837 330391926 /nfs/dbraw/zinc/39/19/26/330391926.db2.gz VUSSAGXLYZBGGH-LBPRGKRZSA-N 1 0 297.830 3.500 10 0 CHAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccsc1 ZINC000090773387 330395741 /nfs/dbraw/zinc/39/57/41/330395741.db2.gz APBBKTAAQMVIGE-UKRRQHHQSA-N 1 0 266.454 3.519 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000085962776 330492851 /nfs/dbraw/zinc/49/28/51/330492851.db2.gz OLKJLAZGMTVMEU-WHOFXGATSA-N 1 0 267.800 3.542 10 0 CHAERO Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000085977914 330493143 /nfs/dbraw/zinc/49/31/43/330493143.db2.gz XYOHOEUDBJEYNE-BZSNNMDCSA-N 1 0 273.420 3.587 10 0 CHAERO c1sc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)cc1-c1ccccc1 ZINC000152912797 330637816 /nfs/dbraw/zinc/63/78/16/330637816.db2.gz LWKOTZXZXZFASX-PVAVHDDUSA-N 1 0 285.412 3.825 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000153783157 330648882 /nfs/dbraw/zinc/64/88/82/330648882.db2.gz HKYCFNJFZGUAII-JVLSTEMRSA-N 1 0 285.790 3.681 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc2c(s1)CCCC2 ZINC000156375338 330730911 /nfs/dbraw/zinc/73/09/11/330730911.db2.gz IIJBTSSYKCZKNK-QEJZJMRPSA-N 1 0 293.476 3.829 10 0 CHAERO Cc1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)o1 ZINC000449767772 330948723 /nfs/dbraw/zinc/94/87/23/330948723.db2.gz QXCKAYOTFGZYGI-HNNXBMFYSA-N 1 0 291.416 3.643 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194904064 331072646 /nfs/dbraw/zinc/07/26/46/331072646.db2.gz HRLNCTFIMFBWCL-GJZGRUSLSA-N 1 0 285.387 3.648 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H](C2CC2)C2CCCC2)C[C@@H](C)O1 ZINC000453204344 331101136 /nfs/dbraw/zinc/10/11/36/331101136.db2.gz BJLWUASZJIUHOP-PBFPGSCMSA-N 1 0 265.441 3.748 10 0 CHAERO CCn1c(C)nnc1C[NH+](CCC(C)C)CCC(C)C ZINC000195063294 331135007 /nfs/dbraw/zinc/13/50/07/331135007.db2.gz GUPAKCZEKYFIKS-UHFFFAOYSA-N 1 0 280.460 3.501 10 0 CHAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000195099668 331137746 /nfs/dbraw/zinc/13/77/46/331137746.db2.gz JCQODJYSSWOTAP-KBRIMQKVSA-N 1 0 273.420 3.715 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000466408749 331395478 /nfs/dbraw/zinc/39/54/78/331395478.db2.gz IFRLCBXWQQDKIM-GHMZBOCLSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000466411153 331395698 /nfs/dbraw/zinc/39/56/98/331395698.db2.gz XMYCSFZDVKLULG-ZSBIGDGJSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C[C@H](C)O1 ZINC000466426721 331396758 /nfs/dbraw/zinc/39/67/58/331396758.db2.gz SEBJJWQBNIRUBA-XBORSJSESA-N 1 0 253.430 3.604 10 0 CHAERO CS[C@H]1CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466454094 331397507 /nfs/dbraw/zinc/39/75/07/331397507.db2.gz VQMCYNKTVGNCGZ-QQFIATSDSA-N 1 0 281.387 3.839 10 0 CHAERO C[C@H]1CC(C[NH2+]CCC2CCCCC2)C[C@H](C)O1 ZINC000467547124 331421626 /nfs/dbraw/zinc/42/16/26/331421626.db2.gz QVLUESZQGUDLAV-KBPBESRZSA-N 1 0 253.430 3.750 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@H]1C ZINC000495073421 332503659 /nfs/dbraw/zinc/50/36/59/332503659.db2.gz XGDIJWYFSHBEFG-OVIZCXLRSA-N 1 0 263.347 3.989 10 0 CHAERO CC[C@H](COC)[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000248176636 334296779 /nfs/dbraw/zinc/29/67/79/334296779.db2.gz VRDVAEHOXMZPOE-YNEHKIRRSA-N 1 0 292.448 3.803 10 0 CHAERO CCC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccsc1 ZINC000249125359 334328258 /nfs/dbraw/zinc/32/82/58/334328258.db2.gz UPXRGZVKJQDOTJ-VHDGCEQUSA-N 1 0 267.438 3.730 10 0 CHAERO CCN1CC[C@H]([NH2+][C@@H](C)c2cccc3ccccc32)C1 ZINC000393346160 333077996 /nfs/dbraw/zinc/07/79/96/333077996.db2.gz FWCYEOHSLIWDMV-HOCLYGCPSA-N 1 0 268.404 3.585 10 0 CHAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000219003687 333139852 /nfs/dbraw/zinc/13/98/52/333139852.db2.gz ZVGVBHGTYRSVCI-DGCLKSJQSA-N 1 0 288.218 3.634 10 0 CHAERO CCO[C@H]1C[C@@H]([NH2+]CC2(CC)CCCC2)C12CCOCC2 ZINC000186387604 333159999 /nfs/dbraw/zinc/15/99/99/333159999.db2.gz BJKKHUJGCCFNSB-CVEARBPZSA-N 1 0 295.467 3.521 10 0 CHAERO CCCC1(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)CCC1 ZINC000186419517 333160337 /nfs/dbraw/zinc/16/03/37/333160337.db2.gz KETAEHOPKWLINB-JKSUJKDBSA-N 1 0 295.467 3.521 10 0 CHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000220808944 333169527 /nfs/dbraw/zinc/16/95/27/333169527.db2.gz QDANHBWPDJFSLS-RHSMWYFYSA-N 1 0 273.420 3.716 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000222157829 333176308 /nfs/dbraw/zinc/17/63/08/333176308.db2.gz CIRATYXCULKFKT-YSVLISHTSA-N 1 0 261.409 3.795 10 0 CHAERO CCc1cccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000189220891 333186241 /nfs/dbraw/zinc/18/62/41/333186241.db2.gz NLQMINAERBVYME-SFHVURJKSA-N 1 0 283.419 3.591 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Cl)ccc1Cl ZINC000222704404 333199042 /nfs/dbraw/zinc/19/90/42/333199042.db2.gz HQIBGZDQTATTPM-JQWIXIFHSA-N 1 0 287.234 3.738 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)c2ccccc21 ZINC000223862293 333212790 /nfs/dbraw/zinc/21/27/90/333212790.db2.gz ZKJKIRXRGSASJJ-DTDBQYNISA-N 1 0 273.420 3.766 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000223869176 333212843 /nfs/dbraw/zinc/21/28/43/333212843.db2.gz KPPMYTAASKKRIL-VNQPRFMTSA-N 1 0 281.827 3.932 10 0 CHAERO Cc1c([C@@H](C)[NH2+][C@H](C)C(C)C)cnn1C(C)(C)C ZINC000191127230 333215652 /nfs/dbraw/zinc/21/56/52/333215652.db2.gz FLDWIBUVIFYHNE-VXGBXAGGSA-N 1 0 251.418 3.642 10 0 CHAERO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C(C)C)n1C ZINC000191878308 333226742 /nfs/dbraw/zinc/22/67/42/333226742.db2.gz BATVMKIJBNNTQH-HUUCEWRRSA-N 1 0 292.471 3.633 10 0 CHAERO CC(C)c1ccc([C@H](C)NCc2noc(C3CC3)n2)cc1 ZINC000193527401 333252160 /nfs/dbraw/zinc/25/21/60/333252160.db2.gz HFTVLPYPEMJWMH-LBPRGKRZSA-N 1 0 285.391 3.921 10 0 CHAERO CCn1cc(C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000195499792 333254210 /nfs/dbraw/zinc/25/42/10/333254210.db2.gz KOGKTVLGJLQHII-UHFFFAOYSA-N 1 0 275.440 3.663 10 0 CHAERO CCCC[C@H](CC)CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000226814428 333270316 /nfs/dbraw/zinc/27/03/16/333270316.db2.gz NMQAPUWDZLOTNK-YQQAZPJKSA-N 1 0 290.451 3.655 10 0 CHAERO [NH3+]CC1(CC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000229397182 333304591 /nfs/dbraw/zinc/30/45/91/333304591.db2.gz FJPMJESXQVXUCM-UHFFFAOYSA-N 1 0 280.799 3.578 10 0 CHAERO CN(C(=O)CC1(C[NH3+])CCCCC1)C1CCC(C)(C)CC1 ZINC000229414794 333304665 /nfs/dbraw/zinc/30/46/65/333304665.db2.gz LHRRZPFPXGOAPS-UHFFFAOYSA-N 1 0 294.483 3.713 10 0 CHAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1cccc(Cl)c1 ZINC000232129534 333334147 /nfs/dbraw/zinc/33/41/47/333334147.db2.gz ZLZUFRMRTDTOGS-BLLLJJGKSA-N 1 0 281.827 3.932 10 0 CHAERO CC(C)(C)n1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000037300319 333531595 /nfs/dbraw/zinc/53/15/95/333531595.db2.gz ZLZDBXVRANNULK-UHFFFAOYSA-N 1 0 287.451 3.552 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1cccnc1 ZINC000037502712 333534283 /nfs/dbraw/zinc/53/42/83/333534283.db2.gz OLKXGLULJHOPKM-HYVNUMGLSA-N 1 0 260.425 3.675 10 0 CHAERO CCCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037619739 333535265 /nfs/dbraw/zinc/53/52/65/333535265.db2.gz UDXJYPNQBMVGEE-CZUORRHYSA-N 1 0 290.451 3.679 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000135303978 334124767 /nfs/dbraw/zinc/12/47/67/334124767.db2.gz GUGKPSRGNKKUNE-WOSRLPQWSA-N 1 0 261.409 3.812 10 0 CHAERO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H](C)C(C)C)o2)cc1 ZINC000078406601 334132812 /nfs/dbraw/zinc/13/28/12/334132812.db2.gz PZDZDBIUQFQSHV-STQMWFEESA-N 1 0 273.380 3.740 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2O)c2ccccc21 ZINC000135635677 334134853 /nfs/dbraw/zinc/13/48/53/334134853.db2.gz MSUHZUCQLLFHDN-RNJTYBCJSA-N 1 0 273.420 3.908 10 0 CHAERO CCOCc1ccccc1C[NH2+][C@H]1CC[C@H](CC)C1 ZINC000080457101 334171652 /nfs/dbraw/zinc/17/16/52/334171652.db2.gz NLDGPNMFPNRULM-YOEHRIQHSA-N 1 0 261.409 3.891 10 0 CHAERO CC[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)C(C)C ZINC000080509028 334172298 /nfs/dbraw/zinc/17/22/98/334172298.db2.gz ORGYYOYREONTIK-OAHLLOKOSA-N 1 0 261.409 3.924 10 0 CHAERO c1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081639678 334201585 /nfs/dbraw/zinc/20/15/85/334201585.db2.gz AKWFMKJVWAIDBQ-LZWOXQAQSA-N 1 0 257.377 3.679 10 0 CHAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)C[C@H]1C ZINC000245668870 334211385 /nfs/dbraw/zinc/21/13/85/334211385.db2.gz BZFSSGJIQDNWBW-UQOMUDLDSA-N 1 0 293.407 3.607 10 0 CHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000246837283 334270328 /nfs/dbraw/zinc/27/03/28/334270328.db2.gz ASQQQNZGEXFRAF-SCVCMEIPSA-N 1 0 255.308 3.655 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(C)c3)C2)c1 ZINC000247694411 334288521 /nfs/dbraw/zinc/28/85/21/334288521.db2.gz WKNUENNRTCGBMB-FUHWJXTLSA-N 1 0 283.419 3.898 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000247933339 334291773 /nfs/dbraw/zinc/29/17/73/334291773.db2.gz CGATVLGCOIVISE-ZACQAIPSSA-N 1 0 297.483 3.624 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc(Cl)c1Cl ZINC000247950139 334291986 /nfs/dbraw/zinc/29/19/86/334291986.db2.gz DYVRCBXLOSCYCW-TVYUQYBPSA-N 1 0 288.218 3.948 10 0 CHAERO CSc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247973183 334292645 /nfs/dbraw/zinc/29/26/45/334292645.db2.gz KADPSFQUYNOVNX-DOTOQJQBSA-N 1 0 291.460 3.536 10 0 CHAERO O[C@@]12CCCC[C@H]1C[N@H+](CCc1ccccc1Cl)CC2 ZINC000247988785 334292886 /nfs/dbraw/zinc/29/28/86/334292886.db2.gz JCDZYEIRGURMOE-DOTOQJQBSA-N 1 0 293.838 3.510 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc(Cl)c1 ZINC000247998154 334293143 /nfs/dbraw/zinc/29/31/43/334293143.db2.gz KBHGQXJMOVXZHM-CORIIIEPSA-N 1 0 267.800 3.542 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1C ZINC000248202861 334296924 /nfs/dbraw/zinc/29/69/24/334296924.db2.gz ZFVODSBJVBKEML-BHYGNILZSA-N 1 0 261.409 3.505 10 0 CHAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000248202969 334297272 /nfs/dbraw/zinc/29/72/72/334297272.db2.gz ZGZJQSQUYCPKLA-QILLFSRXSA-N 1 0 291.435 3.676 10 0 CHAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000249237723 334330552 /nfs/dbraw/zinc/33/05/52/334330552.db2.gz NXMOBWVBWYGFSW-RRFJBIMHSA-N 1 0 298.430 3.794 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc2ccccc21 ZINC000249296381 334331634 /nfs/dbraw/zinc/33/16/34/334331634.db2.gz BRJDGWJJFIQMAS-DOPJRALCSA-N 1 0 269.388 3.794 10 0 CHAERO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)[nH]n1 ZINC000090532445 334362815 /nfs/dbraw/zinc/36/28/15/334362815.db2.gz VEDHCYBLLPYCDX-RCBQFDQVSA-N 1 0 277.456 3.844 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cc2c(s1)CCCC2 ZINC000251704625 334367681 /nfs/dbraw/zinc/36/76/81/334367681.db2.gz OQVUNRLJBXTICI-FPMFFAJLSA-N 1 0 279.449 3.581 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000251787018 334369530 /nfs/dbraw/zinc/36/95/30/334369530.db2.gz UZUXGSJJLBOPRY-MBNYWOFBSA-N 1 0 279.449 3.845 10 0 CHAERO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000165251933 334893442 /nfs/dbraw/zinc/89/34/42/334893442.db2.gz FQKMBNNBPNGGEU-GLQYFDAESA-N 1 0 297.826 3.693 10 0 CHAERO COc1ccc([C@H](C)C[NH+]2Cc3ccccc3C2)cc1 ZINC000180073166 335547413 /nfs/dbraw/zinc/54/74/13/335547413.db2.gz UBDNERIEGXXGOH-CQSZACIVSA-N 1 0 267.372 3.815 10 0 CHAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000380599009 336003315 /nfs/dbraw/zinc/00/33/15/336003315.db2.gz ZCRHVFOXBSJHTH-DISONHOPSA-N 1 0 279.468 3.828 10 0 CHAERO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccsc1 ZINC000381447724 336064073 /nfs/dbraw/zinc/06/40/73/336064073.db2.gz GHRHESNWSFCONR-MRVPVSSYSA-N 1 0 251.317 3.987 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)CC(C)(C)C)c1C ZINC000384454434 336124696 /nfs/dbraw/zinc/12/46/96/336124696.db2.gz ASKFVKXDIPWLKX-NEPJUHHUSA-N 1 0 265.445 3.995 10 0 CHAERO Cc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1F ZINC000384695569 336129278 /nfs/dbraw/zinc/12/92/78/336129278.db2.gz XXCHZJKBOCZQTC-INIZCTEOSA-N 1 0 255.336 3.911 10 0 CHAERO CC(C)C[NH2+]CCC[C@@H](C)N(CC(F)(F)F)C(C)C ZINC000052502865 519743588 /nfs/dbraw/zinc/74/35/88/519743588.db2.gz GJAAOBQIGWRZBW-CYBMUJFWSA-N 1 0 282.394 3.673 10 0 CHAERO CC(C)C[NH2+]CCC[C@H](C)O[C@@H]1CCC[C@H](C)C1 ZINC000052632058 519743753 /nfs/dbraw/zinc/74/37/53/519743753.db2.gz LAOQGQZLYBGGQO-HRCADAONSA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@@]1(C)c1cccc(Cl)c1 ZINC000054598250 519746280 /nfs/dbraw/zinc/74/62/80/519746280.db2.gz DVLHVKZKENCNQY-HIFRSBDPSA-N 1 0 251.801 3.863 10 0 CHAERO CCCC1CCC([NH3+])(c2ccc(OC)c(F)c2)CC1 ZINC000055261839 519896008 /nfs/dbraw/zinc/89/60/08/519896008.db2.gz OJTMBHLOKSUQAB-UHFFFAOYSA-N 1 0 265.372 3.979 10 0 CHAERO CCC[NH2+]C[C@@H](CCOC(C)C)Cc1ccccc1 ZINC000052952878 519920901 /nfs/dbraw/zinc/92/09/01/519920901.db2.gz LJXWUSDGLZOZGD-KRWDZBQOSA-N 1 0 263.425 3.660 10 0 CHAERO CC[NH2+]CCCCCO[C@H]1CCCc2ccccc21 ZINC000052628058 519919112 /nfs/dbraw/zinc/91/91/12/519919112.db2.gz SCXITNDJEPQFRG-KRWDZBQOSA-N 1 0 261.409 3.860 10 0 CHAERO CCC[NH2+]Cc1cnc(N(C)[C@@H](C)CC(C)C)s1 ZINC000054908888 519961445 /nfs/dbraw/zinc/96/14/45/519961445.db2.gz HWDMXMBGLRBLIL-LBPRGKRZSA-N 1 0 269.458 3.514 10 0 CHAERO CCC[NH2+]Cc1oc2ccccc2c1COC(C)C ZINC000052626696 519973350 /nfs/dbraw/zinc/97/33/50/519973350.db2.gz CHFCFQQYJQZXPW-UHFFFAOYSA-N 1 0 261.365 3.857 10 0 CHAERO CC[NH2+]C[C@H](Cc1ccc(OC)c(F)c1)CC(C)C ZINC000052967902 519973629 /nfs/dbraw/zinc/97/36/29/519973629.db2.gz HWIPIPBYICLSPS-AWEZNQCLSA-N 1 0 267.388 3.649 10 0 CHAERO CCCCCCOC[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052631250 520100500 /nfs/dbraw/zinc/10/05/00/520100500.db2.gz JVAMINCTBCJUQK-LSDHHAIUSA-N 1 0 271.445 3.519 10 0 CHAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@H]1CCCCO1 ZINC000050962092 520108124 /nfs/dbraw/zinc/10/81/24/520108124.db2.gz HGGBYAMFARPWFE-NVXWUHKLSA-N 1 0 261.409 3.832 10 0 CHAERO CC[NH2+][C@H](CSC)Cc1ccc(C(C)(C)C)cc1 ZINC000054496227 520199962 /nfs/dbraw/zinc/19/99/62/520199962.db2.gz XXJXVEBOWLGMRY-HNNXBMFYSA-N 1 0 265.466 3.868 10 0 CHAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000055265440 520214001 /nfs/dbraw/zinc/21/40/01/520214001.db2.gz VGSNWCHVCRMNOG-HIFRSBDPSA-N 1 0 265.372 3.860 10 0 CHAERO CCCOc1ccc(C[NH2+]C)c(OC[C@@H](C)CC)c1 ZINC000050423873 520363062 /nfs/dbraw/zinc/36/30/62/520363062.db2.gz IFIISCOKZPUFJG-ZDUSSCGKSA-N 1 0 265.397 3.620 10 0 CHAERO CC(C)[C@@H](c1ccccc1)[C@H](O)CC[NH+]1CCCCC1 ZINC000000000632 500622740 /nfs/dbraw/zinc/62/27/40/500622740.db2.gz KJCWLPLAURMCOC-MSOLQXFVSA-N 1 0 275.436 3.663 10 0 in-man CHAERO CCCc1nc(N(C)[C@H](C)C(C)C)sc1C[NH2+]CC ZINC000054997769 521529357 /nfs/dbraw/zinc/52/93/57/521529357.db2.gz DQYKWHJKZLPITL-GFCCVEGCSA-N 1 0 283.485 3.686 10 0 CHAERO CCCN(CC(F)(F)F)[C@H](C)CCC[NH2+]CC(C)C ZINC000052504127 521585884 /nfs/dbraw/zinc/58/58/84/521585884.db2.gz GRIOESWWQKLRSK-CYBMUJFWSA-N 1 0 282.394 3.675 10 0 CHAERO CCCN(CCC)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052416898 521649656 /nfs/dbraw/zinc/64/96/56/521649656.db2.gz KRVZNMWDQLQEET-QGZVFWFLSA-N 1 0 260.425 3.602 10 0 CHAERO CCCN(c1nc2c(s1)[C@H]([NH2+]CC)CCC2)C(C)C ZINC000054902781 521697747 /nfs/dbraw/zinc/69/77/47/521697747.db2.gz VDBBCJWVGIVAAK-GFCCVEGCSA-N 1 0 281.469 3.755 10 0 CHAERO C[NH2+]Cc1nc(CO[C@H]2C[C@H](C)CC(C)(C)C2)cs1 ZINC000052629088 522152662 /nfs/dbraw/zinc/15/26/62/522152662.db2.gz FMMKTQROGGQUFX-AAEUAGOBSA-N 1 0 282.453 3.594 10 0 CHAERO CC[C@H](C[NH2+]C(C)(C)C)Cc1ccc(OC)c(F)c1 ZINC000052973999 522189294 /nfs/dbraw/zinc/18/92/94/522189294.db2.gz ZVFRCTNDFFEBDS-LBPRGKRZSA-N 1 0 267.388 3.791 10 0 CHAERO C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCCCO1 ZINC000052684689 518399953 /nfs/dbraw/zinc/39/99/53/518399953.db2.gz UHXARVRBSGNTOL-JJXSEGSLSA-N 1 0 251.414 3.504 10 0 CHAERO CC(C)(C)[NH2+]CCCc1ccc(Br)s1 ZINC000052949473 518756060 /nfs/dbraw/zinc/75/60/60/518756060.db2.gz UYAUYKXXAGDRPJ-UHFFFAOYSA-N 1 0 276.243 3.831 10 0 CHAERO CC(C)(C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000058124181 518766372 /nfs/dbraw/zinc/76/63/72/518766372.db2.gz BGKGZHINKSTFCX-UHFFFAOYSA-N 1 0 261.287 3.516 10 0 CHAERO CC(C)C[C@@H]1CN(Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062671515 519271045 /nfs/dbraw/zinc/27/10/45/519271045.db2.gz BRHHBFBHZMCWKS-OAHLLOKOSA-N 1 0 280.843 3.550 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1Cc1c(F)cccc1Cl ZINC000062712337 519273242 /nfs/dbraw/zinc/27/32/42/519273242.db2.gz GBGTUWGDOOAAGB-QWHCGFSZSA-N 1 0 298.833 3.688 10 0 CHAERO CC(C)C[C@H](C)[N@H+](C)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025330 519313121 /nfs/dbraw/zinc/31/31/21/519313121.db2.gz DNJKJEBOUSNZOT-ZFWWWQNUSA-N 1 0 278.465 3.770 10 0 CHAERO CC(C)CCC[C@@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601257 519643267 /nfs/dbraw/zinc/64/32/67/519643267.db2.gz KBIDDHOBQLJGTF-KFWWJZLASA-N 1 0 251.414 3.787 10 0 CHAERO CC(C)CCOC1(C[NH2+]C2CC2)CCCCCC1 ZINC000050493246 519664716 /nfs/dbraw/zinc/66/47/16/519664716.db2.gz AKVHKAIHHKSCME-UHFFFAOYSA-N 1 0 253.430 3.894 10 0 CHAERO CC(C)N1C[C@@H](c2ccccc2)[NH2+]Cc2ccccc21 ZINC000062662955 519694856 /nfs/dbraw/zinc/69/48/56/519694856.db2.gz FKPBONZBCSNGRA-KRWDZBQOSA-N 1 0 266.388 3.746 10 0 CHAERO CC(C)C[NH+](CC[C@@H](O)c1ccc(F)cc1)CC(C)C ZINC000053987552 519717526 /nfs/dbraw/zinc/71/75/26/519717526.db2.gz SROHCKPWJWPOCU-QGZVFWFLSA-N 1 0 281.415 3.863 10 0 CHAERO CC(C)[NH2+]CC1(CCOCC(F)(F)F)CCCCC1 ZINC000054654999 519719754 /nfs/dbraw/zinc/71/97/54/519719754.db2.gz VJXZIIQEJSCHEE-UHFFFAOYSA-N 1 0 281.362 3.904 10 0 CHAERO CC(C)[NH2+]CCC[C@@H](C)Oc1cccc(F)c1F ZINC000062654555 519720858 /nfs/dbraw/zinc/72/08/58/519720858.db2.gz FJZYIFILXIBONU-LLVKDONJSA-N 1 0 257.324 3.510 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2ccc(C(C)C)cc2)C1 ZINC000053010772 519723375 /nfs/dbraw/zinc/72/33/75/519723375.db2.gz BHWMKNOTUCBAQJ-HNNXBMFYSA-N 1 0 260.425 3.634 10 0 CHAERO CC(C)[NH2+]C[C@@]1(OC2CCCC2)CCC[C@H](C)C1 ZINC000050504143 519724422 /nfs/dbraw/zinc/72/44/22/519724422.db2.gz BQNZWXYVNOYZJE-GOEBONIOSA-N 1 0 253.430 3.893 10 0 CHAERO CC(C)C[NH2+]C[C@@H](Cc1cccc(F)c1)C(C)C ZINC000052972735 519744887 /nfs/dbraw/zinc/74/48/87/519744887.db2.gz CXRKWNVMPOCKRQ-OAHLLOKOSA-N 1 0 251.389 3.886 10 0 CHAERO CC(C)C[NH2+]C[C@@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC000052599817 519744979 /nfs/dbraw/zinc/74/49/79/519744979.db2.gz SEDUGJAIYBUMMG-LLVKDONJSA-N 1 0 275.314 3.718 10 0 CHAERO CC(C)CO[C@@H](C[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000050492233 519759630 /nfs/dbraw/zinc/75/96/30/519759630.db2.gz TZXMDNVDMUAKHG-HNNXBMFYSA-N 1 0 267.800 3.806 10 0 CHAERO CC(C)[C@@H](C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000192982653 519792335 /nfs/dbraw/zinc/79/23/35/519792335.db2.gz OPMGZQOZKWRRAG-SNVBAGLBSA-N 1 0 250.367 3.537 10 0 CHAERO CC(C)[C@@H]1CN(Cc2ccccc2Cl)[C@@H](C(C)C)C[NH2+]1 ZINC000062708919 519804708 /nfs/dbraw/zinc/80/47/08/519804708.db2.gz KXLQVFSHKGFSSI-DLBZAZTESA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000061686220 519816806 /nfs/dbraw/zinc/81/68/06/519816806.db2.gz YKERDEHTVMOHFE-GWCFXTLKSA-N 1 0 275.314 3.747 10 0 CHAERO CC(C)[C@H]1C[N@H+]([C@H]2CCC[C@@H](C)C2)[C@@H](C(C)C)CN1 ZINC000062663199 519827130 /nfs/dbraw/zinc/82/71/30/519827130.db2.gz HNZCHBMLQWVUED-YYIAUSFCSA-N 1 0 266.473 3.520 10 0 CHAERO CCCC1CCC([NH2+][C@H]2CCCCC[C@H]2O)CC1 ZINC000049545134 519899222 /nfs/dbraw/zinc/89/92/22/519899222.db2.gz JVSWBGLEQMDUDO-SSHXOBKSSA-N 1 0 253.430 3.629 10 0 CHAERO CCC[NH2+]CCCn1cc(Cl)c2ccccc21 ZINC000055310871 519914013 /nfs/dbraw/zinc/91/40/13/519914013.db2.gz ZSFNATFRDRNEOY-UHFFFAOYSA-N 1 0 250.773 3.684 10 0 CHAERO CCC[NH2+]C[C@@H](CC)N(C)Cc1ccc(Cl)cc1 ZINC000052346296 519921305 /nfs/dbraw/zinc/92/13/05/519921305.db2.gz TUHJURXFOJESOG-OAHLLOKOSA-N 1 0 268.832 3.550 10 0 CHAERO CCC[NH2+]C[C@H](CCOCC)Cc1ccc(C)cc1 ZINC000052974519 519932954 /nfs/dbraw/zinc/93/29/54/519932954.db2.gz KPIWVOVDQQULHW-QGZVFWFLSA-N 1 0 263.425 3.580 10 0 CHAERO CCC[NH2+]C[C@](C)(CC)Oc1ccc(F)c(F)c1 ZINC000051959473 519940247 /nfs/dbraw/zinc/94/02/47/519940247.db2.gz MNWHZCKEMJORGP-AWEZNQCLSA-N 1 0 257.324 3.512 10 0 CHAERO CC[NH2+]C[C@@H](CCC(C)C)Cc1cccc(OC)c1 ZINC000052978375 519944790 /nfs/dbraw/zinc/94/47/90/519944790.db2.gz QJPQTMHXSKTSMQ-INIZCTEOSA-N 1 0 263.425 3.900 10 0 CHAERO CC[NH2+]C[C@@H](Cc1cccs1)Cc1ccccc1 ZINC000052952610 519945851 /nfs/dbraw/zinc/94/58/51/519945851.db2.gz KGEHVGLSPWPVCL-OAHLLOKOSA-N 1 0 259.418 3.759 10 0 CHAERO CC[NH2+]C[C@@H](O[C@@H](C)CC(C)C)c1cccc(F)c1 ZINC000050488820 519948868 /nfs/dbraw/zinc/94/88/68/519948868.db2.gz MMPFVFRCHKXHGL-XJKSGUPXSA-N 1 0 267.388 3.928 10 0 CHAERO CC[NH2+]C[C@@H](c1ccccc1)N(C)[C@@H](C)CC(C)C ZINC000052572131 519949294 /nfs/dbraw/zinc/94/92/94/519949294.db2.gz BQMNIOZHSZXZFS-RDJZCZTQSA-N 1 0 262.441 3.704 10 0 CHAERO CCC[NH2+]Cc1nc(-c2c(F)cccc2F)cs1 ZINC000053294640 519965502 /nfs/dbraw/zinc/96/55/02/519965502.db2.gz PZWFQAPMZFTOTD-UHFFFAOYSA-N 1 0 268.332 3.588 10 0 CHAERO CC[NH2+]C[C@H](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000052974897 519972568 /nfs/dbraw/zinc/97/25/68/519972568.db2.gz OUECHKGTANTIIR-HNNXBMFYSA-N 1 0 277.408 3.898 10 0 CHAERO CCC[NH2+]Cc1sc(N(CC)[C@@H](C)CC)nc1C ZINC000054996920 519974776 /nfs/dbraw/zinc/97/47/76/519974776.db2.gz FYNJKPIPHFWQOI-NSHDSACASA-N 1 0 269.458 3.576 10 0 CHAERO CC[NH2+]C[C@H](c1ccccc1)N(C)Cc1cccs1 ZINC000052456428 519975594 /nfs/dbraw/zinc/97/55/94/519975594.db2.gz RBYVGMCRFXFNES-MRXNPFEDSA-N 1 0 274.433 3.531 10 0 CHAERO CCC[NH2+][C@@H](CC)c1c(C)nn(CC(C)C)c1C ZINC000054718983 519992443 /nfs/dbraw/zinc/99/24/43/519992443.db2.gz BGZGKGPPZUSQJP-AWEZNQCLSA-N 1 0 251.418 3.607 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccccn1)c1ccccc1F ZINC000052898013 520013651 /nfs/dbraw/zinc/01/36/51/520013651.db2.gz FZHIPFYOPLUPRA-INIZCTEOSA-N 1 0 258.340 3.504 10 0 CHAERO CCC[NH2+][C@H](CCCCOCC(F)(F)F)C(C)C ZINC000049312811 520069663 /nfs/dbraw/zinc/06/96/63/520069663.db2.gz UNVINUSOAARREF-GFCCVEGCSA-N 1 0 269.351 3.760 10 0 CHAERO CCC[NH2+][C@H](CC)c1ccc(-c2cncnc2)cc1 ZINC000052886641 520068979 /nfs/dbraw/zinc/06/89/79/520068979.db2.gz XWKCTNGVNUOSBH-MRXNPFEDSA-N 1 0 255.365 3.594 10 0 CHAERO CCC[NH2+][C@H](CCOCC)c1ccc(C)c(F)c1 ZINC000053827156 520076291 /nfs/dbraw/zinc/07/62/91/520076291.db2.gz RXPKWWXGYHIYSC-OAHLLOKOSA-N 1 0 253.361 3.601 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(OC[C@H](C)CC)c(OC)c1 ZINC000050423771 520077808 /nfs/dbraw/zinc/07/78/08/520077808.db2.gz DIKQNRTXZGIIHL-OLZOCXBDSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C(C)C ZINC000062366501 520080382 /nfs/dbraw/zinc/08/03/82/520080382.db2.gz JLGKHGIBXXLAQV-JTQLQIEISA-N 1 0 265.788 3.941 10 0 CHAERO CC[NH2+][C@@H](Cc1cccc(F)c1F)c1ccccc1 ZINC000053825097 520104073 /nfs/dbraw/zinc/10/40/73/520104073.db2.gz XYCNRHUYDMFKHF-HNNXBMFYSA-N 1 0 261.315 3.858 10 0 CHAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CCOC(C)C ZINC000054630932 520122939 /nfs/dbraw/zinc/12/29/39/520122939.db2.gz MHTGZVZDJGKYGI-HRCADAONSA-N 1 0 255.446 3.852 10 0 CHAERO CCCNc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)cn1 ZINC000050814926 520155243 /nfs/dbraw/zinc/15/52/43/520155243.db2.gz VZTBCYIPPBJYPU-ZDUSSCGKSA-N 1 0 263.429 3.770 10 0 CHAERO CCCNc1nc2ccccc2cc1C[N@H+](C)CC ZINC000050812781 520189375 /nfs/dbraw/zinc/18/93/75/520189375.db2.gz ZHDWQOVDFXUOBA-UHFFFAOYSA-N 1 0 257.381 3.508 10 0 CHAERO CC[NH2+][C@H]1CCN(c2cc(Cl)ccc2C)[C@H](C)C1 ZINC000049711582 520218307 /nfs/dbraw/zinc/21/83/07/520218307.db2.gz KCQADJULGSZVFH-OCCSQVGLSA-N 1 0 266.816 3.615 10 0 CHAERO CCCCC[C@H]([NH2+]C)c1cc(OC)c(OC)cc1F ZINC000061561167 520313684 /nfs/dbraw/zinc/31/36/84/520313684.db2.gz SGGFJYJVBFYGQK-ZDUSSCGKSA-N 1 0 269.360 3.684 10 0 CHAERO CCCOc1ccc(-c2nc(C[NH2+]CC)cs2)cc1 ZINC000052919553 520316457 /nfs/dbraw/zinc/31/64/57/520316457.db2.gz SYFDHYZCVPPLGX-UHFFFAOYSA-N 1 0 276.405 3.708 10 0 CHAERO CCCOc1ccc(C[NH2+]C)c(OC[C@H](C)CC)c1 ZINC000050423874 520363328 /nfs/dbraw/zinc/36/33/28/520363328.db2.gz IFIISCOKZPUFJG-CYBMUJFWSA-N 1 0 265.397 3.620 10 0 CHAERO CC1(C)C[N@H+](C2CCCCC2)[C@@H](c2ccccc2)CN1 ZINC000062666538 520461976 /nfs/dbraw/zinc/46/19/76/520461976.db2.gz RZKHIBVQPJKSOM-QGZVFWFLSA-N 1 0 272.436 3.744 10 0 CHAERO CC1(C)CN(Cc2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000062673251 520478645 /nfs/dbraw/zinc/47/86/45/520478645.db2.gz OJGMWZNPZVOQJT-UHFFFAOYSA-N 1 0 287.234 3.567 10 0 CHAERO CCC[C@@H]([NH2+]CCOCC(F)(F)F)c1cccs1 ZINC000049544072 520774860 /nfs/dbraw/zinc/77/48/60/520774860.db2.gz LMMINMWXEJNGBL-SNVBAGLBSA-N 1 0 281.343 3.758 10 0 CHAERO CCC[C@@](C)(C[NH2+]C)CN(Cc1ccsc1)C1CC1 ZINC000051253207 520908914 /nfs/dbraw/zinc/90/89/14/520908914.db2.gz BXRXSNDPQBPAGN-INIZCTEOSA-N 1 0 280.481 3.738 10 0 CHAERO CCOc1ccc(C)cc1[C@H]([NH3+])c1ccc(C)cc1 ZINC000051598926 520927629 /nfs/dbraw/zinc/92/76/29/520927629.db2.gz AYPURGWMOFIELN-QGZVFWFLSA-N 1 0 255.361 3.750 10 0 CHAERO CCCC[C@@H](CC)Cn1nc(C)c([C@@H](C)[NH2+]C)c1C ZINC000054717973 521038269 /nfs/dbraw/zinc/03/82/69/521038269.db2.gz MVQMFIXVEWZEEG-IUODEOHRSA-N 1 0 265.445 3.997 10 0 CHAERO CCC[C@H](CCOCC(F)(F)F)C[NH2+]C(C)(C)C ZINC000052970760 521097659 /nfs/dbraw/zinc/09/76/59/521097659.db2.gz VKMATGTYRGRNCH-LLVKDONJSA-N 1 0 269.351 3.760 10 0 CHAERO CCC[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049543930 521177857 /nfs/dbraw/zinc/17/78/57/521177857.db2.gz BSZUFVPNAVMGQY-IHRRRGAJSA-N 1 0 267.438 3.873 10 0 CHAERO CC[N@H+](C[C@H]1C[C@H](C(C)C)CCC1=O)C1CCCC1 ZINC000054559014 521273539 /nfs/dbraw/zinc/27/35/39/521273539.db2.gz DOUNAWRNRYRKFJ-HUUCEWRRSA-N 1 0 265.441 3.892 10 0 CHAERO CCC(C)(C)OCc1ccoc1C[NH2+]CC(C)C ZINC000052630657 521359145 /nfs/dbraw/zinc/35/91/45/521359145.db2.gz GPKZNDPMGLWXIY-UHFFFAOYSA-N 1 0 253.386 3.730 10 0 CHAERO CCOc1cccc(Oc2ccccc2[C@@H](C)[NH3+])c1 ZINC000051846654 521404724 /nfs/dbraw/zinc/40/47/24/521404724.db2.gz IIXXLEZZTRZAFF-GFCCVEGCSA-N 1 0 257.333 3.897 10 0 CHAERO CCCN(C(C)C)[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052450650 521451798 /nfs/dbraw/zinc/45/17/98/521451798.db2.gz JXQVCQKTSBEFEK-KRWDZBQOSA-N 1 0 262.441 3.846 10 0 CHAERO CCCc1nc(N(C)[C@@H](C)C(C)C)sc1C[NH2+]CC ZINC000054997768 521529084 /nfs/dbraw/zinc/52/90/84/521529084.db2.gz DQYKWHJKZLPITL-LBPRGKRZSA-N 1 0 283.485 3.686 10 0 CHAERO CCC(CC)N(C)c1nc(C)c(C[NH2+]CC(C)C)s1 ZINC000054997673 521545219 /nfs/dbraw/zinc/54/52/19/521545219.db2.gz CTDJIWOHKZBZEJ-UHFFFAOYSA-N 1 0 283.485 3.822 10 0 CHAERO CCCN(CC(F)(F)F)c1ncc([C@H](C)[NH2+]CC)s1 ZINC000054906325 521586986 /nfs/dbraw/zinc/58/69/86/521586986.db2.gz ABKYJCYUOWHVCU-VIFPVBQESA-N 1 0 295.374 3.592 10 0 CHAERO CCc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C)CCC2 ZINC000052201369 521801006 /nfs/dbraw/zinc/80/10/06/521801006.db2.gz SWQHMPSJBNWDBC-CYBMUJFWSA-N 1 0 272.417 3.969 10 0 CHAERO C[NH2+]CC1(Cc2ccc(Cl)cc2Cl)CCOCC1 ZINC000061674018 521972034 /nfs/dbraw/zinc/97/20/34/521972034.db2.gz BFJINMGGKGVNCZ-UHFFFAOYSA-N 1 0 288.218 3.552 10 0 CHAERO C[NH2+]CC1(O[C@H]2C[C@@H](C)CC(C)(C)C2)CCCC1 ZINC000050496743 521972323 /nfs/dbraw/zinc/97/23/23/521972323.db2.gz BCPUNRKXYNTZGJ-KGLIPLIRSA-N 1 0 253.430 3.750 10 0 CHAERO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2C)o1 ZINC000037772174 522040322 /nfs/dbraw/zinc/04/03/22/522040322.db2.gz BCBBXRBZOQEJAI-CYBMUJFWSA-N 1 0 287.359 3.534 10 0 CHAERO C[NH2+]Cc1cc(F)c(Oc2ccc(F)cc2)c(F)c1 ZINC000062720463 522114109 /nfs/dbraw/zinc/11/41/09/522114109.db2.gz USLGGYRQRVYQQJ-UHFFFAOYSA-N 1 0 267.250 3.616 10 0 CHAERO C[NH2+]Cc1sc(N2CCCCCC2)nc1C(C)(C)C ZINC000054995643 522167463 /nfs/dbraw/zinc/16/74/63/522167463.db2.gz ZLNLIAAFYMJEPT-UHFFFAOYSA-N 1 0 281.469 3.540 10 0 CHAERO CC[C@H](C[NH2+]C)Oc1ccccc1-c1ccccc1 ZINC000052651096 522192667 /nfs/dbraw/zinc/19/26/67/522192667.db2.gz RAIZIRGRHJZFJY-OAHLLOKOSA-N 1 0 255.361 3.730 10 0 CHAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccc(Cl)c(F)c2)o1 ZINC000062770937 522325701 /nfs/dbraw/zinc/32/57/01/522325701.db2.gz SCKFKNMQOBCORK-VIFPVBQESA-N 1 0 267.731 3.890 10 0 CHAERO CC[C@H]([NH3+])[C@H](Oc1cccc(F)c1F)c1cccs1 ZINC000062612698 522342127 /nfs/dbraw/zinc/34/21/27/522342127.db2.gz JFJFKDURVLVZSJ-HZMBPMFUSA-N 1 0 283.343 3.884 10 0 CHAERO CC[C@H](N)[C@H](c1sccc1C)[NH+]1CCC(C)(C)CC1 ZINC000061818483 522346691 /nfs/dbraw/zinc/34/66/91/522346691.db2.gz VSDBSRNBNWPCMY-UONOGXRCSA-N 1 0 280.481 3.957 10 0 CHAERO C[NH2+][C@@H](COC1CCC1)c1cccc2ccccc21 ZINC000050520019 522353395 /nfs/dbraw/zinc/35/33/95/522353395.db2.gz AYMXYGDYPDYECZ-KRWDZBQOSA-N 1 0 255.361 3.669 10 0 CHAERO C[NH2+][C@@H](Cc1cccs1)[C@H]1CCCc2ccccc21 ZINC000063158079 522361916 /nfs/dbraw/zinc/36/19/16/522361916.db2.gz ZDIVLUWDXDYLLO-IRXDYDNUSA-N 1 0 271.429 3.999 10 0 CHAERO C[NH2+][C@@H](Cc1ccncc1)c1cccc(Cl)c1Cl ZINC000055229147 522361931 /nfs/dbraw/zinc/36/19/31/522361931.db2.gz YHAJLTUWVRLJJD-ZDUSSCGKSA-N 1 0 281.186 3.892 10 0 CHAERO C[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@H]1Cc1ccsc1 ZINC000054630766 522398770 /nfs/dbraw/zinc/39/87/70/522398770.db2.gz KAFSQDZBNQAKJE-RBSFLKMASA-N 1 0 251.439 3.951 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(F)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000055264479 522480749 /nfs/dbraw/zinc/48/07/49/522480749.db2.gz QKEOXEDQSNLZCE-HSMVNMDESA-N 1 0 265.372 3.921 10 0 CHAERO C[NH2+][C@H](c1cccc(F)c1)c1ccc(F)c(Cl)c1 ZINC000062792334 522484216 /nfs/dbraw/zinc/48/42/16/522484216.db2.gz YQBGHSHWIIYGHX-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000049711899 522502417 /nfs/dbraw/zinc/50/24/17/522502417.db2.gz WXLRTCMIEYPTOH-ONGXEEELSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H](C[NH2+]C1CC1)Oc1cc(C)c(Cl)c(C)c1 ZINC000052699994 522545055 /nfs/dbraw/zinc/54/50/55/522545055.db2.gz PBUVFCMZHMSQET-ZDUSSCGKSA-N 1 0 267.800 3.866 10 0 CHAERO CNc1ccc(Cl)c(C[NH+](CC(C)C)CC(C)C)n1 ZINC000061631533 522621974 /nfs/dbraw/zinc/62/19/74/522621974.db2.gz WNELIMGRCWCBOQ-UHFFFAOYSA-N 1 0 283.847 3.891 10 0 CHAERO CC[C@H]1CCCC[C@H]1OCc1cc(C[NH2+]C)c(C)o1 ZINC000052621571 523065393 /nfs/dbraw/zinc/06/53/93/523065393.db2.gz VFRUDQGCLSGSPV-XJKSGUPXSA-N 1 0 265.397 3.793 10 0 CHAERO CC[C@H]1CCCN(c2nc(C(C)(C)C)c(C[NH3+])s2)C1 ZINC000054997565 523093777 /nfs/dbraw/zinc/09/37/77/523093777.db2.gz AARNSYMAOJXLDR-NSHDSACASA-N 1 0 281.469 3.526 10 0 CHAERO CC[C@H]1CSC(N[C@@H](C)c2ccc(Cl)cc2)=[NH+]1 ZINC000049526543 523354016 /nfs/dbraw/zinc/35/40/16/523354016.db2.gz CNIFKKBLLZRVFE-CABZTGNLSA-N 1 0 268.813 3.872 10 0 CHAERO COc1ccc(C)cc1C[C@H]([NH3+])C1CCC(C)CC1 ZINC000050707027 523815494 /nfs/dbraw/zinc/81/54/94/523815494.db2.gz CLDYNVNKUZGSCQ-PXCJXSSVSA-N 1 0 261.409 3.700 10 0 CHAERO CCc1cc(OCc2occc2C[NH2+]C)ccc1Cl ZINC000052699688 523841087 /nfs/dbraw/zinc/84/10/87/523841087.db2.gz YWMZKLSCGVIOIG-UHFFFAOYSA-N 1 0 279.767 3.794 10 0 CHAERO CCc1ccc([C@@]2(C)C[C@@H]2C[NH2+]CC(C)C)s1 ZINC000054598210 524041319 /nfs/dbraw/zinc/04/13/19/524041319.db2.gz KXUOQQPGHFWOAD-DOMZBBRYSA-N 1 0 251.439 3.834 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)s1 ZINC000041203238 524046963 /nfs/dbraw/zinc/04/69/63/524046963.db2.gz VHBMRKCOXNUTBK-GVXVVHGQSA-N 1 0 253.411 3.529 10 0 CHAERO COc1ccc(C[NH2+]C(C)(C)C)c(OCC(C)C)c1 ZINC000062733091 524068333 /nfs/dbraw/zinc/06/83/33/524068333.db2.gz UYHIHJGOVZEKBD-UHFFFAOYSA-N 1 0 265.397 3.618 10 0 CHAERO COc1cccc([C@@H]([NH3+])c2ccc(Cl)cc2F)c1 ZINC000062785932 524099478 /nfs/dbraw/zinc/09/94/78/524099478.db2.gz JZOBMQYGYYRJFC-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO COc1cccc([C@H](C[NH2+]C(C)(C)C)OC(C)C)c1 ZINC000050483690 524161461 /nfs/dbraw/zinc/16/14/61/524161461.db2.gz SIOPBORLWVBDDI-HNNXBMFYSA-N 1 0 265.397 3.549 10 0 CHAERO COc1ccc(Cc2nc(C)c(C[NH2+]C(C)C)s2)cc1 ZINC000052330763 524164252 /nfs/dbraw/zinc/16/42/52/524164252.db2.gz ZYVPJQFOUAXVSG-UHFFFAOYSA-N 1 0 290.432 3.549 10 0 CHAERO COc1ccc(Cl)cc1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000062664090 524254511 /nfs/dbraw/zinc/25/45/11/524254511.db2.gz IUZCXCCBZWXJTP-DGCLKSJQSA-N 1 0 267.800 3.971 10 0 CHAERO Cc1cc(C)cc(C[C@@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000055239224 524396484 /nfs/dbraw/zinc/39/64/84/524396484.db2.gz GBKSTIIORSPWBC-MRXNPFEDSA-N 1 0 261.315 3.824 10 0 CHAERO COc1ccccc1S[C@H](CC[NH3+])c1ccccc1 ZINC000055019572 524711781 /nfs/dbraw/zinc/71/17/81/524711781.db2.gz BAUNSJOEWZSPAH-OAHLLOKOSA-N 1 0 273.401 3.877 10 0 CHAERO Cc1ccc(Cl)c(O[C@@H](C)C[NH2+]C(C)(C)C)c1 ZINC000052697280 524715169 /nfs/dbraw/zinc/71/51/69/524715169.db2.gz AWESCXXLWMJOBU-NSHDSACASA-N 1 0 255.789 3.804 10 0 CHAERO C[C@@H](C[NH2+]C(C)(C)C)CN(Cc1cccs1)C1CC1 ZINC000052370653 524733852 /nfs/dbraw/zinc/73/38/52/524733852.db2.gz RGLNEOOEOBXARQ-ZDUSSCGKSA-N 1 0 280.481 3.737 10 0 CHAERO C[C@H]([NH3+])c1ccc(Oc2cccnc2)c(Br)c1 ZINC000061699337 524866690 /nfs/dbraw/zinc/86/66/90/524866690.db2.gz MXLLFMKGHXRORD-VIFPVBQESA-N 1 0 293.164 3.656 10 0 CHAERO C[C@H]([NH3+])c1ccc(OCc2ccc(F)cc2F)cc1 ZINC000050871936 524867525 /nfs/dbraw/zinc/86/75/25/524867525.db2.gz KOWWQKABPRSEOG-JTQLQIEISA-N 1 0 263.287 3.564 10 0 CHAERO Cc1cc(Cl)ccc1O[C@H](C)C[NH2+]C(C)(C)C ZINC000052677625 524910795 /nfs/dbraw/zinc/91/07/95/524910795.db2.gz WCXZMFYUQGHWMJ-LLVKDONJSA-N 1 0 255.789 3.804 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@@H](C)C3CCCC3)CC2)nc1 ZINC000163530384 524942995 /nfs/dbraw/zinc/94/29/95/524942995.db2.gz TZXLNJCRIAGDRX-HNNXBMFYSA-N 1 0 287.451 3.527 10 0 CHAERO C[C@@H]([NH3+])[C@@H](S[C@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000054690430 525004618 /nfs/dbraw/zinc/00/46/18/525004618.db2.gz HXTDXWOBIVJZEJ-NRWUCQMLSA-N 1 0 253.411 3.980 10 0 CHAERO C[C@@H](NC(=[NH2+])Nc1ccccc1)c1cccc(F)c1 ZINC000052048485 525036587 /nfs/dbraw/zinc/03/65/87/525036587.db2.gz XCUKMMDHLCVFRJ-LLVKDONJSA-N 1 0 257.312 3.523 10 0 CHAERO Cc1ccccc1CC[C@H]([NH3+])Cc1ccccc1C ZINC000051985576 525117048 /nfs/dbraw/zinc/11/70/48/525117048.db2.gz KYURKZIENOQNSX-SFHVURJKSA-N 1 0 253.389 3.806 10 0 CHAERO Cc1ccccc1Cc1ncc(C[NH2+]C(C)(C)C)s1 ZINC000052331550 525201708 /nfs/dbraw/zinc/20/17/08/525201708.db2.gz YPKYOBBHJYPVGI-UHFFFAOYSA-N 1 0 274.433 3.930 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](CCNc2cccc(Cl)c2)C1 ZINC000053344447 525210295 /nfs/dbraw/zinc/21/02/95/525210295.db2.gz VZWPBMLYNJCLAA-CHWSQXEVSA-N 1 0 266.816 3.730 10 0 CHAERO COc1ccc([C@@](C)([NH3+])c2ccc(C)cc2C)cc1 ZINC000055235597 525281200 /nfs/dbraw/zinc/28/12/00/525281200.db2.gz LIOLEHRCNFILPB-QGZVFWFLSA-N 1 0 255.361 3.534 10 0 CHAERO C[C@H]([NH2+]CCN1CCCCCCC1)c1cccs1 ZINC000053373840 525349670 /nfs/dbraw/zinc/34/96/70/525349670.db2.gz PKINOQAVOORENV-AWEZNQCLSA-N 1 0 266.454 3.665 10 0 CHAERO Cc1cc(OCCC[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000052765242 525369823 /nfs/dbraw/zinc/36/98/23/525369823.db2.gz WMZMNZKATPQDEB-LBPRGKRZSA-N 1 0 253.773 3.559 10 0 CHAERO C[C@@H](NC1=[NH+]C(C)(C)CS1)c1ccccc1Cl ZINC000049510580 525395140 /nfs/dbraw/zinc/39/51/40/525395140.db2.gz AHHABBYIDKPDKA-SECBINFHSA-N 1 0 268.813 3.872 10 0 CHAERO C[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000129437452 525512894 /nfs/dbraw/zinc/51/28/94/525512894.db2.gz XHJOZBZYELMWLV-NOZJJQNGSA-N 1 0 291.288 3.502 10 0 CHAERO Cc1cc([C@H]([NH3+])Cc2ccc(F)cc2F)ccc1F ZINC000050886145 525536635 /nfs/dbraw/zinc/53/66/35/525536635.db2.gz IEWJQEGPFFOEMW-OAHLLOKOSA-N 1 0 265.278 3.655 10 0 CHAERO Cc1cc2c(n1[C@H](C)c1ccsc1)CCC[C@H]2[NH3+] ZINC000061367121 525622599 /nfs/dbraw/zinc/62/25/99/525622599.db2.gz CIQAUOOULMSJQS-BXUZGUMPSA-N 1 0 260.406 3.803 10 0 CHAERO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1ccco1 ZINC000151700721 525663085 /nfs/dbraw/zinc/66/30/85/525663085.db2.gz ZIRNRAPJHKYTIM-ZIAGYGMSSA-N 1 0 281.359 3.877 10 0 CHAERO Cc1cc2ncn([C@@H](C)C[NH2+]C(C)(C)C)c2cc1C ZINC000052575712 525686423 /nfs/dbraw/zinc/68/64/23/525686423.db2.gz SNFCCJGVUXHEPU-ZDUSSCGKSA-N 1 0 259.397 3.602 10 0 CHAERO C[C@@]([NH3+])(Cc1c(F)cccc1Cl)c1ccccc1 ZINC000049346466 525750892 /nfs/dbraw/zinc/75/08/92/525750892.db2.gz MDYIDSFZJHBIGF-OAHLLOKOSA-N 1 0 263.743 3.896 10 0 CHAERO COc1cccc(N(C)c2ccc(Cl)cc2C[NH3+])c1 ZINC000052857666 526132049 /nfs/dbraw/zinc/13/20/49/526132049.db2.gz USNGKUJPTZQFKF-UHFFFAOYSA-N 1 0 276.767 3.575 10 0 CHAERO COc1cccc(S[C@H](CC[NH3+])c2ccccc2)c1 ZINC000055019458 526246253 /nfs/dbraw/zinc/24/62/53/526246253.db2.gz OYVJRMUHUVUQOD-MRXNPFEDSA-N 1 0 273.401 3.877 10 0 CHAERO C[C@H]1CCCC[C@H]1[NH2+]CCOc1cc(F)cc(F)c1 ZINC000054935077 526262433 /nfs/dbraw/zinc/26/24/33/526262433.db2.gz VHTYSJDDKHMUOY-XHDPSFHLSA-N 1 0 269.335 3.512 10 0 CHAERO C[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000225202218 526262440 /nfs/dbraw/zinc/26/24/40/526262440.db2.gz MOALJNDSWSULGI-NILFDRSVSA-N 1 0 267.800 3.542 10 0 CHAERO Oc1ccc([C@H]([NH2+]C2CCC2)c2ccccc2)cc1 ZINC000052207234 526353285 /nfs/dbraw/zinc/35/32/85/526353285.db2.gz YSJXZDRXRIGOEA-QGZVFWFLSA-N 1 0 253.345 3.624 10 0 CHAERO Cc1csc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000156980825 526420647 /nfs/dbraw/zinc/42/06/47/526420647.db2.gz BRAADLHFWVXXDW-OAHLLOKOSA-N 1 0 272.417 3.831 10 0 CHAERO NC(=[NH2+])c1ccc(Oc2ccc(F)cc2)c(Cl)c1 ZINC000062794419 526824638 /nfs/dbraw/zinc/82/46/38/526824638.db2.gz GXTSOOIVWRTBSY-UHFFFAOYSA-N 1 0 264.687 3.555 10 0 CHAERO [NH2+]=C1CCCCN1c1ccccc1OC(F)(F)F ZINC000049584002 526839695 /nfs/dbraw/zinc/83/96/95/526839695.db2.gz ZLMKXKRPTLBQII-UHFFFAOYSA-N 1 0 258.243 3.553 10 0 CHAERO Cc1nc(Cc2ccc(C)c(C)c2)sc1[C@H](C)[NH3+] ZINC000061681761 526927262 /nfs/dbraw/zinc/92/72/62/526927262.db2.gz PQKMORWOGCJUFM-NSHDSACASA-N 1 0 260.406 3.679 10 0 CHAERO Clc1ccc(Cl)c(N2CC[C@@H](C[NH2+]C3CC3)C2)c1 ZINC000053010520 526955080 /nfs/dbraw/zinc/95/50/80/526955080.db2.gz KXXTWCSYRVGHRA-JTQLQIEISA-N 1 0 285.218 3.572 10 0 CHAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)c1ccccc1 ZINC000052841965 527124043 /nfs/dbraw/zinc/12/40/43/527124043.db2.gz KKSYDAZXUJQKGX-LLVKDONJSA-N 1 0 251.333 3.536 10 0 CHAERO [NH3+]Cc1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC000052858197 527248450 /nfs/dbraw/zinc/24/84/50/527248450.db2.gz QPSAGYSSVDZOHD-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO [NH3+]Cc1ccc(Oc2cccc(F)c2)c(Cl)c1 ZINC000062793252 527256998 /nfs/dbraw/zinc/25/69/98/527256998.db2.gz ZOIMRARBOXNFBA-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO [NH3+]Cc1cnc(C2(c3ccccc3)CCCCC2)s1 ZINC000062783009 527262167 /nfs/dbraw/zinc/26/21/67/527262167.db2.gz CIMDSBCRCBJQGI-UHFFFAOYSA-N 1 0 272.417 3.852 10 0 CHAERO [NH3+][C@@H](Cc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000053789362 527335680 /nfs/dbraw/zinc/33/56/80/527335680.db2.gz CSBOXGIADPENAC-AWEZNQCLSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@@H](c1ccccc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000054682600 527338466 /nfs/dbraw/zinc/33/84/66/527338466.db2.gz HSMFVAXDTPGGAJ-KBPBESRZSA-N 1 0 282.170 3.727 10 0 CHAERO [NH3+][C@@H]1CCCc2nc(-c3c(F)cccc3Cl)sc21 ZINC000052903484 527361646 /nfs/dbraw/zinc/36/16/46/527361646.db2.gz MTVJYDOAVLJQGU-SECBINFHSA-N 1 0 282.771 3.939 10 0 CHAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000049157151 527517931 /nfs/dbraw/zinc/51/79/31/527517931.db2.gz CLGOMBYSIYEETK-ONGXEEELSA-N 1 0 266.435 3.795 10 0 CHAERO Nc1[nH+]c2cc(Cl)ccc2n1CCc1ccsc1 ZINC000049185016 527561613 /nfs/dbraw/zinc/56/16/13/527561613.db2.gz DSNTUEURACLAGG-UHFFFAOYSA-N 1 0 277.780 3.576 10 0 CHAERO Nc1[nH+]c2cccc(Cl)c2n1CCc1ccsc1 ZINC000049185022 527561792 /nfs/dbraw/zinc/56/17/92/527561792.db2.gz PIFDSFMWSYZCIB-UHFFFAOYSA-N 1 0 277.780 3.576 10 0 CHAERO OC[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccccc1 ZINC000063000827 527610380 /nfs/dbraw/zinc/61/03/80/527610380.db2.gz KIEUTMFNYYHAPE-HOCLYGCPSA-N 1 0 273.401 3.522 10 0 CHAERO FC(F)Oc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070299 527695683 /nfs/dbraw/zinc/69/56/83/527695683.db2.gz ZZPRVOPGJXRVAI-CQSZACIVSA-N 1 0 291.297 3.511 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cc(Cl)cc(Cl)c1 ZINC000083536472 536169680 /nfs/dbraw/zinc/16/96/80/536169680.db2.gz BUGLIRGLVDAYFO-SKDRFNHKSA-N 1 0 273.207 3.570 10 0 CHAERO [NH3+][C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001665987 560183537 /nfs/dbraw/zinc/18/35/37/560183537.db2.gz ILMMSBJXXQIEEM-UONOGXRCSA-N 1 0 282.170 3.727 10 0 in-vitro CHAERO CCC[NH+](CCC)Cc1cc(N)ccc1Br ZINC000149890815 566905028 /nfs/dbraw/zinc/90/50/28/566905028.db2.gz FZASMWWFNFXSND-UHFFFAOYSA-N 1 0 285.229 3.653 10 0 CHAERO Cc1[nH+]ccc(N2C[C@H](C)C[C@@H](C)C2)c1Br ZINC000669379463 566950876 /nfs/dbraw/zinc/95/08/76/566950876.db2.gz CMFGTYJTKYGLFY-NXEZZACHSA-N 1 0 283.213 3.635 10 0 CHAERO [NH3+]CCc1cccc(-c2ccc(Br)cc2)c1 ZINC000033428183 566979889 /nfs/dbraw/zinc/97/98/89/566979889.db2.gz YWHNBWDYODPQQP-UHFFFAOYSA-N 1 0 276.177 3.617 10 0 CHAERO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](C)O)s1 ZINC000036101564 566993458 /nfs/dbraw/zinc/99/34/58/566993458.db2.gz NOKHHCCRHIPJAM-LBPRGKRZSA-N 1 0 293.407 3.579 10 0 CHAERO Brc1ccccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000084704885 567033801 /nfs/dbraw/zinc/03/38/01/567033801.db2.gz SMDXLOWNBQJKSK-LBPRGKRZSA-N 1 0 294.217 3.746 10 0 CHAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(N)ccc1Br ZINC000097814137 567073770 /nfs/dbraw/zinc/07/37/70/567073770.db2.gz ZOFMEQCFXWRAIX-PHIMTYICSA-N 1 0 297.240 3.794 10 0 CHAERO COc1cccc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000328631427 567120709 /nfs/dbraw/zinc/12/07/09/567120709.db2.gz QWYJAUZTUQVHLX-IEBWSBKVSA-N 1 0 297.398 3.563 10 0 CHAERO CC[N@H+](CC(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685953608 567209905 /nfs/dbraw/zinc/20/99/05/567209905.db2.gz XDILKQHOGFIJLJ-HNNXBMFYSA-N 1 0 298.471 3.754 10 0 CHAERO CC1CCC(C)([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685961932 567210592 /nfs/dbraw/zinc/21/05/92/567210592.db2.gz YITQCQUFEYVOKG-UHFFFAOYSA-N 1 0 296.455 3.508 10 0 CHAERO Clc1csc([C@@H]2[NH2+]CCc3ccsc32)c1 ZINC000712513701 567850630 /nfs/dbraw/zinc/85/06/30/567850630.db2.gz UFPJDJDWICSDMH-JTQLQIEISA-N 1 0 255.795 3.698 10 0 CHAERO Brc1ccc(C[C@H]2CCCCC[NH2+]2)cc1 ZINC000003735009 567853520 /nfs/dbraw/zinc/85/35/20/567853520.db2.gz LOCUVGFPBNGOJL-CYBMUJFWSA-N 1 0 268.198 3.524 10 0 in-vitro CHAERO CC[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000033435575 567860887 /nfs/dbraw/zinc/86/08/87/567860887.db2.gz YHOCAIOYZRRZAJ-UHFFFAOYSA-N 1 0 255.361 3.684 10 0 CHAERO CCOc1ccc(C[NH2+]CC(C)C)cc1Br ZINC000010474875 567861883 /nfs/dbraw/zinc/86/18/83/567861883.db2.gz ZLYSYCMDFJGDEV-UHFFFAOYSA-N 1 0 286.213 3.593 10 0 CHAERO FC(F)(F)c1ccc2sc(C[C@H]3CCC[NH2+]3)nc2c1 ZINC000042164021 567891405 /nfs/dbraw/zinc/89/14/05/567891405.db2.gz BEPLVSNKSCATQK-SECBINFHSA-N 1 0 286.322 3.610 10 0 CHAERO CCCCCC[NH2+]Cc1nn(CC)nc1-c1ccccc1 ZINC000057353235 567894877 /nfs/dbraw/zinc/89/48/77/567894877.db2.gz CPVMRZZZDBNLNQ-UHFFFAOYSA-N 1 0 286.423 3.635 10 0 CHAERO CCCn1nc(C[NH2+]C(C)(C)CC)c(-c2ccccc2)n1 ZINC000057353319 567895135 /nfs/dbraw/zinc/89/51/35/567895135.db2.gz YMSFHCYPBPTKBC-UHFFFAOYSA-N 1 0 286.423 3.633 10 0 CHAERO CCCCOCCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040731259 567907779 /nfs/dbraw/zinc/90/77/79/567907779.db2.gz QOXCMXWHRPKAFQ-UHFFFAOYSA-N 1 0 279.424 3.770 10 0 CHAERO Nc1ccccc1SC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000098063912 567911396 /nfs/dbraw/zinc/91/13/96/567911396.db2.gz MPRLHELMLFULGS-UKRRQHHQSA-N 1 0 276.449 3.625 10 0 CHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000725254572 567913599 /nfs/dbraw/zinc/91/35/99/567913599.db2.gz YYLVYXWLUDXXEO-FZZIBODNSA-N 1 0 280.209 3.693 10 0 CHAERO C[NH2+]Cc1cccc(OC)c1OCc1cccc(Cl)c1 ZINC000019777463 567944732 /nfs/dbraw/zinc/94/47/32/567944732.db2.gz SZQJSNYPOKCJHR-UHFFFAOYSA-N 1 0 291.778 3.647 10 0 CHAERO Cc1ccccc1COc1ccc(C[NH2+]C2CC2)cc1 ZINC000032115723 567955709 /nfs/dbraw/zinc/95/57/09/567955709.db2.gz WUJJTDOSPFJWAW-UHFFFAOYSA-N 1 0 267.372 3.826 10 0 CHAERO CCCc1ncc(C[N@H+](Cc2ccncc2)[C@H](C)CC)cn1 ZINC000055384910 570242903 /nfs/dbraw/zinc/24/29/03/570242903.db2.gz SAUNCIQVSWMMRD-OAHLLOKOSA-N 1 0 298.434 3.625 10 0 CHAERO CC(C)C[N@H+](Cc1ccc2c(c1)CCO2)Cc1ccccn1 ZINC000055342423 570242915 /nfs/dbraw/zinc/24/29/15/570242915.db2.gz GPYOZLGQRWFKBN-UHFFFAOYSA-N 1 0 296.414 3.675 10 0 CHAERO CC[C@]1(Cc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000091445319 570371452 /nfs/dbraw/zinc/37/14/52/570371452.db2.gz IBWJRYLFGMWDEW-CYBMUJFWSA-N 1 0 257.299 3.780 10 0 CHAERO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C4CCC4)C3)nc2c1 ZINC000194746527 1125557432 /nfs/dbraw/zinc/55/74/32/1125557432.db2.gz WXDFSNLZOKOIGH-CYBMUJFWSA-N 1 0 269.392 3.603 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Cl)ccc1Cl ZINC000375608074 1120014090 /nfs/dbraw/zinc/01/40/90/1120014090.db2.gz WPKPXBMVHMPUQO-ZBPZKIAKSA-N 1 0 286.202 3.536 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc2ccccc21 ZINC000103955897 1120026819 /nfs/dbraw/zinc/02/68/19/1120026819.db2.gz JHAHZWXZYPOFDQ-DZGCQCFKSA-N 1 0 255.361 3.669 10 0 CHAERO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c[nH]1 ZINC000179974104 1120259913 /nfs/dbraw/zinc/25/99/13/1120259913.db2.gz UDFXZAPJPSHRAM-CQSZACIVSA-N 1 0 281.359 3.536 10 0 CHAERO Fc1ccc(F)c([C@@H]2CCCN(Cc3cscn3)C2)c1 ZINC000191674506 1125326363 /nfs/dbraw/zinc/32/63/63/1125326363.db2.gz SSNHCXHTTNPBQS-LLVKDONJSA-N 1 0 294.370 3.801 10 0 CHAERO CCc1nc(-c2ccc(OC)cc2)sc1C[NH2+]C1CC1 ZINC000082424450 177998631 /nfs/dbraw/zinc/99/86/31/177998631.db2.gz RNGDSHRVKBPJRE-UHFFFAOYSA-N 1 0 288.416 3.633 10 0 CHAERO C[NH2+]Cc1sc(Cc2ccc(Cl)cc2)nc1C1CC1 ZINC000082441636 178020977 /nfs/dbraw/zinc/02/09/77/178020977.db2.gz HXOBLIJLTTXFET-UHFFFAOYSA-N 1 0 292.835 3.984 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccccc2C)nc1COC ZINC000082441356 178021263 /nfs/dbraw/zinc/02/12/63/178021263.db2.gz RXNVHBTYEIPONK-UHFFFAOYSA-N 1 0 290.432 3.765 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C(=O)OC(C)(C)C ZINC000095752835 185026166 /nfs/dbraw/zinc/02/61/66/185026166.db2.gz NBBAXAIIMROXQY-LSDHHAIUSA-N 1 0 298.471 3.656 10 0 CHAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1cc(C)cc(C)c1 ZINC000082660732 178147450 /nfs/dbraw/zinc/14/74/50/178147450.db2.gz ZIXPUDPZTVJKHU-UHFFFAOYSA-N 1 0 271.408 3.543 10 0 CHAERO Cc1c(C[NH2+]C(C)C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000082661270 178148322 /nfs/dbraw/zinc/14/83/22/178148322.db2.gz YUFOCVROECGWOO-UHFFFAOYSA-N 1 0 297.324 3.698 10 0 CHAERO [NH3+]Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000082700014 178201948 /nfs/dbraw/zinc/20/19/48/178201948.db2.gz IWTDGZVUGCROAQ-UHFFFAOYSA-N 1 0 295.169 3.704 10 0 CHAERO COc1ccc(C)cc1-c1cc([C@H](C)[NH3+])ccc1F ZINC000082707285 178215663 /nfs/dbraw/zinc/21/56/63/178215663.db2.gz TWWQJEXVHNWAKF-NSHDSACASA-N 1 0 259.324 3.829 10 0 CHAERO COc1ccc(-c2cc([C@H](C)[NH3+])ccc2F)c(F)c1 ZINC000082707324 178215809 /nfs/dbraw/zinc/21/58/09/178215809.db2.gz AUNMCZWNBGXAGI-VIFPVBQESA-N 1 0 263.287 3.660 10 0 CHAERO CCCOc1ccc([C@@H]([NH3+])CC)cc1Br ZINC000083162870 178346553 /nfs/dbraw/zinc/34/65/53/178346553.db2.gz PQURPLKBPARUDJ-NSHDSACASA-N 1 0 272.186 3.648 10 0 CHAERO CC(C)CC[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083384069 178388296 /nfs/dbraw/zinc/38/82/96/178388296.db2.gz SDJQIHXVUOATRS-UHFFFAOYSA-N 1 0 250.773 3.957 10 0 CHAERO Cc1cc([C@H]([NH3+])Cc2ccc(Br)cc2)co1 ZINC000096978590 185145711 /nfs/dbraw/zinc/14/57/11/185145711.db2.gz YIJHQBTWQNJXNU-CYBMUJFWSA-N 1 0 280.165 3.593 10 0 CHAERO [NH3+][C@@H]1C[C@@H](c2ccccc2Cl)Nc2ccccc21 ZINC000097758126 185663367 /nfs/dbraw/zinc/66/33/67/185663367.db2.gz YLBQLSIXVJWGBD-HIFRSBDPSA-N 1 0 258.752 3.897 10 0 CHAERO CC1(C)CC[NH2+]C[C@@H]1c1ccccc1Br ZINC000086370246 179278297 /nfs/dbraw/zinc/27/82/97/179278297.db2.gz NBANVZJBYGKNHZ-LLVKDONJSA-N 1 0 268.198 3.552 10 0 CHAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1cccc(C)n1 ZINC000104160883 185914756 /nfs/dbraw/zinc/91/47/56/185914756.db2.gz HXXKGGXVQOUZKY-MRXNPFEDSA-N 1 0 274.795 3.937 10 0 CHAERO [NH3+][C@H](Cc1csc2ccccc12)c1ccncc1 ZINC000104212852 185933148 /nfs/dbraw/zinc/93/31/48/185933148.db2.gz VHGMHXHISKTUPI-CQSZACIVSA-N 1 0 254.358 3.539 10 0 CHAERO CCCN(c1cccc(Cl)c1C[C@H](C)[NH3+])C(C)C ZINC000104274389 185951628 /nfs/dbraw/zinc/95/16/28/185951628.db2.gz WHLXSTBYBQYGQY-LBPRGKRZSA-N 1 0 268.832 3.855 10 0 CHAERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1N(C)[C@@H](C)CC ZINC000104276249 185952231 /nfs/dbraw/zinc/95/22/31/185952231.db2.gz MOSKDYHVCSIBCZ-NWDGAFQWSA-N 1 0 268.832 3.855 10 0 CHAERO Cc1nnc(Sc2cccc(Cl)c2C[C@H](C)[NH3+])s1 ZINC000104286674 185954975 /nfs/dbraw/zinc/95/49/75/185954975.db2.gz FHGKYKYDLIYKCE-ZETCQYMHSA-N 1 0 299.852 3.541 10 0 CHAERO CC[C@H]([NH3+])Cc1ccc(Sc2nnc(C)s2)c(C)c1 ZINC000104286692 185954991 /nfs/dbraw/zinc/95/49/91/185954991.db2.gz PLGNYIFWYRPPFN-LBPRGKRZSA-N 1 0 293.461 3.586 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1OC)C[C@H](C)C(C)(C)C ZINC000104435605 186001386 /nfs/dbraw/zinc/00/13/86/186001386.db2.gz AOOQSOJCCXPRBN-ZFWWWQNUSA-N 1 0 263.425 3.898 10 0 CHAERO C#[N+]c1ccc(OC(F)(F)F)cc1Br ZINC000104899949 186031071 /nfs/dbraw/zinc/03/10/71/186031071.db2.gz KOBXJTRBVQTFLN-UHFFFAOYSA-N 1 0 266.016 3.898 10 0 CHAERO C[C@H]([NH3+])c1nc2c(cccc2Cl)n1-c1ccccc1 ZINC000091692136 180228170 /nfs/dbraw/zinc/22/81/70/180228170.db2.gz ORCRDCMKMNJIAN-JTQLQIEISA-N 1 0 271.751 3.699 10 0 CHAERO Fc1ccc(O[C@@H](c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000000025764 169507802 /nfs/dbraw/zinc/50/78/02/169507802.db2.gz LTJYRADDZMINOQ-SFHVURJKSA-N 1 0 285.362 3.945 10 0 CHAERO C[C@H](OCCC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000095068658 184930492 /nfs/dbraw/zinc/93/04/92/184930492.db2.gz ZWBHGLPEQSIYGD-QWHCGFSZSA-N 1 0 253.411 3.606 10 0 CHAERO CC[NH2+][C@@H]1CCOC[C@H]1Cc1c(Cl)cccc1Cl ZINC000095091457 184940418 /nfs/dbraw/zinc/94/04/18/184940418.db2.gz LSTFIGYHVKDROF-QMTHXVAHSA-N 1 0 288.218 3.551 10 0 CHAERO CC[C@@H]1CN(c2cccc(Cl)c2C)[C@H](CC)C[NH2+]1 ZINC000083493743 135024597 /nfs/dbraw/zinc/02/45/97/135024597.db2.gz AOBVESSKZZKYAE-CHWSQXEVSA-N 1 0 266.816 3.615 10 0 CHAERO CC(C)[C@H]1CN(c2cccc3ccccc32)[C@@H](C)C[NH2+]1 ZINC000083511063 135025180 /nfs/dbraw/zinc/02/51/80/135025180.db2.gz BVWBNPRVIXHFDW-WMLDXEAASA-N 1 0 268.404 3.663 10 0 CHAERO Cc1ccc(C)c(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083542110 135028586 /nfs/dbraw/zinc/02/85/86/135028586.db2.gz XRHCAUWYXLNSKC-FUHWJXTLSA-N 1 0 274.452 3.762 10 0 CHAERO COc1ccc2[nH+]c(C)cc(NCc3ccco3)c2c1 ZINC000005027462 170057787 /nfs/dbraw/zinc/05/77/87/170057787.db2.gz PDSNDPUTEMFAME-UHFFFAOYSA-N 1 0 268.316 3.757 10 0 CHAERO CC1=C(C)C(=C2C=CN(C)C=C2)C=C1c1cc[n+](C)cc1 ZINC000005305363 170084529 /nfs/dbraw/zinc/08/45/29/170084529.db2.gz GQVCMDUVISEBOL-UHFFFAOYSA-N 1 0 277.391 3.514 10 0 CHAERO C[C@H]([C@H](O)c1ccccc1)[N@H+](C)C/C=C/c1ccccc1 ZINC000005751636 170137232 /nfs/dbraw/zinc/13/72/32/170137232.db2.gz YMJMZFPZRVMNCH-ZLXMSIQFSA-N 1 0 281.399 3.754 10 0 in-man CHAERO COc1ccc([C@H]([NH3+])CC2CCCCC2)cc1OC ZINC000006484684 170205295 /nfs/dbraw/zinc/20/52/95/170205295.db2.gz CXRGURDCDIVTFV-CQSZACIVSA-N 1 0 263.381 3.674 10 0 CHAERO CCCC[C@@H](CC)CNc1cccc2c1C(=[NH2+])NC2=N ZINC000008699938 170346264 /nfs/dbraw/zinc/34/62/64/170346264.db2.gz WXFDHSMDCITFSL-LLVKDONJSA-N 1 0 272.396 3.569 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(Br)cc2)C1 ZINC000009997125 170393482 /nfs/dbraw/zinc/39/34/82/170393482.db2.gz WEBLDUWBROMTIX-VXGBXAGGSA-N 1 0 282.225 3.927 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(Br)cc2)C1 ZINC000009997124 170393642 /nfs/dbraw/zinc/39/36/42/170393642.db2.gz WEBLDUWBROMTIX-RYUDHWBXSA-N 1 0 282.225 3.927 10 0 CHAERO COc1ccc(OC)c([C@@H]([NH3+])Cc2cccc(Cl)c2)c1 ZINC000011604073 170426112 /nfs/dbraw/zinc/42/61/12/170426112.db2.gz YOUAYLQXJCQFGK-HNNXBMFYSA-N 1 0 291.778 3.600 10 0 CHAERO CCc1[nH+]c(N)nc(N)c1-c1ccc(-c2ccccc2)cc1 ZINC000013472714 170553361 /nfs/dbraw/zinc/55/33/61/170553361.db2.gz PMSUAONSGCBMTC-UHFFFAOYSA-N 1 0 290.370 3.537 10 0 CHAERO Fc1ccc([C@@H](Oc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000013530682 170558489 /nfs/dbraw/zinc/55/84/89/170558489.db2.gz WATYOFIGBUAAFP-CRAIPNDOSA-N 1 0 285.362 3.945 10 0 CHAERO CCC[NH+](CCC)[C@@H]1CCc2cccc(O)c2[C@H]1C ZINC000013819967 170598493 /nfs/dbraw/zinc/59/84/93/170598493.db2.gz ZNLWDIZBTNNEHH-DZGCQCFKSA-N 1 0 261.409 3.933 10 0 CHAERO CCCCN(CC)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000019803593 170873083 /nfs/dbraw/zinc/87/30/83/170873083.db2.gz YQPFMZVIMGGHLP-CYBMUJFWSA-N 1 0 272.795 3.601 10 0 CHAERO Cc1ccc(SCc2ccccc2C(N)=[NH2+])cc1 ZINC000019848052 170897176 /nfs/dbraw/zinc/89/71/76/170897176.db2.gz ZXBAPARNGDFJFP-UHFFFAOYSA-N 1 0 256.374 3.571 10 0 CHAERO CC(C)Cc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000019918836 170927185 /nfs/dbraw/zinc/92/71/85/170927185.db2.gz PPQLWNJCHSLPTK-NNGSBXSVSA-N 1 0 275.436 3.839 10 0 CHAERO COc1cccc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c1OC ZINC000019963334 170944998 /nfs/dbraw/zinc/94/49/98/170944998.db2.gz BLGVPGWOXHCMPD-IPYPFGDCSA-N 1 0 277.408 3.618 10 0 CHAERO CCOc1ccc([C@H]([NH3+])C2CCCC2)cc1OCC ZINC000019967795 170949572 /nfs/dbraw/zinc/94/95/72/170949572.db2.gz KDLNRQDCHIVBOU-MRXNPFEDSA-N 1 0 263.381 3.674 10 0 CHAERO [NH3+][C@H](c1ccc(F)cc1F)c1cc(Cl)ccc1F ZINC000019969020 170951889 /nfs/dbraw/zinc/95/18/89/170951889.db2.gz YGNBVOWJXGUJEM-CYBMUJFWSA-N 1 0 271.669 3.805 10 0 CHAERO CCc1ccc([C@@H]([NH3+])Cc2cccc(OC)c2)s1 ZINC000019970725 170954051 /nfs/dbraw/zinc/95/40/51/170954051.db2.gz ZZQWLSQHXCFBLZ-AWEZNQCLSA-N 1 0 261.390 3.562 10 0 CHAERO CCC[NH+](CCC)C[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000020000486 170965768 /nfs/dbraw/zinc/96/57/68/170965768.db2.gz SSFFWPMWIOLJJT-LESVLKBLSA-N 1 0 278.484 3.652 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(O)cc1 ZINC000020129730 171017842 /nfs/dbraw/zinc/01/78/42/171017842.db2.gz DWPXNPBSEQWLFF-PXAZEXFGSA-N 1 0 253.345 3.730 10 0 CHAERO CCOc1cc(C[NH2+][C@H]2CCc3ccccc32)ccc1O ZINC000020129663 171017878 /nfs/dbraw/zinc/01/78/78/171017878.db2.gz ZUTPEMPZRPYVPG-INIZCTEOSA-N 1 0 283.371 3.568 10 0 CHAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129413 171018270 /nfs/dbraw/zinc/01/82/70/171018270.db2.gz PJAKJJLRVNLEOH-KSSFIOAISA-N 1 0 286.394 3.779 10 0 CHAERO FC(F)(F)Sc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000020139754 171026980 /nfs/dbraw/zinc/02/69/80/171026980.db2.gz SXJOZWSWCGUBQW-UHFFFAOYSA-N 1 0 298.333 3.983 10 0 CHAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000020145077 171030136 /nfs/dbraw/zinc/03/01/36/171030136.db2.gz NJRUIXCJQCDXGL-XJKSGUPXSA-N 1 0 271.360 3.714 10 0 CHAERO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)ccc1O ZINC000020147944 171035046 /nfs/dbraw/zinc/03/50/46/171035046.db2.gz AIJMOAUIEBYTCH-NWDGAFQWSA-N 1 0 289.350 3.952 10 0 CHAERO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)ccc1O ZINC000020147945 171035204 /nfs/dbraw/zinc/03/52/04/171035204.db2.gz AIJMOAUIEBYTCH-RYUDHWBXSA-N 1 0 289.350 3.952 10 0 CHAERO C=COCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000020197129 171061182 /nfs/dbraw/zinc/06/11/82/171061182.db2.gz BCNRNIXJAFIESI-UHFFFAOYSA-N 1 0 260.164 3.633 10 0 CHAERO C=COCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000020197488 171061888 /nfs/dbraw/zinc/06/18/88/171061888.db2.gz KZRFRILFQFUDJF-MRXNPFEDSA-N 1 0 257.333 3.509 10 0 CHAERO Cc1ccccc1[C@H](CN)[N@H+](C)CC1CCCCC1 ZINC000020225468 171088524 /nfs/dbraw/zinc/08/85/24/171088524.db2.gz PNEAQVJGMITZDM-KRWDZBQOSA-N 1 0 260.425 3.507 10 0 CHAERO Cc1cccc(CN(C)[C@@H](C[NH3+])c2cccc(Cl)c2)c1 ZINC000020225950 171089863 /nfs/dbraw/zinc/08/98/63/171089863.db2.gz WLLCJJIUVZFZDQ-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO CCCCCC[NH2+]CCn1c(C)nc2ccccc21 ZINC000020361922 171160127 /nfs/dbraw/zinc/16/01/27/171160127.db2.gz VFZOSKIVROATNX-UHFFFAOYSA-N 1 0 259.397 3.515 10 0 CHAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000020384611 171175049 /nfs/dbraw/zinc/17/50/49/171175049.db2.gz CYLANRKAOYXRST-KRWDZBQOSA-N 1 0 255.336 3.557 10 0 CHAERO [NH3+][C@@H](Cc1nc2ccccc2s1)c1ccccc1F ZINC000020428555 171194010 /nfs/dbraw/zinc/19/40/10/171194010.db2.gz OXXKREYSFVTPCR-LBPRGKRZSA-N 1 0 272.348 3.678 10 0 CHAERO COc1ccc(Cl)cc1C1(C[NH3+])CCCCC1 ZINC000020429526 171194562 /nfs/dbraw/zinc/19/45/62/171194562.db2.gz NQNYCZRQIOAKLO-UHFFFAOYSA-N 1 0 253.773 3.509 10 0 CHAERO [NH2+]=C1CCCN1c1cc(C(F)(F)F)ccc1Cl ZINC000020443810 171205563 /nfs/dbraw/zinc/20/55/63/171205563.db2.gz CQRCKMSOFCJTEF-UHFFFAOYSA-N 1 0 262.662 3.936 10 0 CHAERO C[C@H](Oc1cccc(Cl)c1C[NH3+])c1ccccc1 ZINC000020470009 171211774 /nfs/dbraw/zinc/21/17/74/171211774.db2.gz ITQLHADTZPKQGO-NSHDSACASA-N 1 0 261.752 3.939 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc(F)cc2Br)cc1 ZINC000020470172 171211886 /nfs/dbraw/zinc/21/18/86/171211886.db2.gz QYLTYTMTNGBNEI-UHFFFAOYSA-N 1 0 296.139 3.839 10 0 CHAERO COc1ccc(F)cc1[C@H]([NH3+])CC1CCCCC1 ZINC000020470423 171212201 /nfs/dbraw/zinc/21/22/01/171212201.db2.gz FWIWMMVRIXHVCR-CQSZACIVSA-N 1 0 251.345 3.805 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccccc2F)cc1Cl ZINC000020521856 171235003 /nfs/dbraw/zinc/23/50/03/171235003.db2.gz XVLGIDFMPYVQKF-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO CCOc1ccc(O[C@@H](C)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000020546340 171244193 /nfs/dbraw/zinc/24/41/93/171244193.db2.gz XOSPYPCUESVAEM-KBXCAEBGSA-N 1 0 285.387 3.861 10 0 CHAERO Cc1ccc(O[C@@H]2CCCc3ccccc3[C@@H]2[NH3+])cc1 ZINC000020547936 171245467 /nfs/dbraw/zinc/24/54/67/171245467.db2.gz BZHHXCZEVPQNKY-MSOLQXFVSA-N 1 0 267.372 3.779 10 0 CHAERO CC(C)c1ccc([C@H]([NH3+])CN2CCc3ccccc32)cc1 ZINC000020548856 171245948 /nfs/dbraw/zinc/24/59/48/171245948.db2.gz QRLBKKMKBCVGSM-GOSISDBHSA-N 1 0 280.415 3.873 10 0 CHAERO C[C@@H]1CCC[N@@H+](C2(CN)CCC(C(C)(C)C)CC2)C1 ZINC000020549638 171246152 /nfs/dbraw/zinc/24/61/52/171246152.db2.gz IURKWGSOTKAMQA-HPUBIQBYSA-N 1 0 266.473 3.652 10 0 CHAERO CCN([C@H](C[NH3+])c1ccccc1Cl)C1CCCCC1 ZINC000020559713 171251610 /nfs/dbraw/zinc/25/16/10/171251610.db2.gz XAZWGJFOEORAGA-MRXNPFEDSA-N 1 0 280.843 3.994 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC(C)(C)C1 ZINC000020561625 171251924 /nfs/dbraw/zinc/25/19/24/171251924.db2.gz HOEBZCQVYRTIQI-QLFBSQMISA-N 1 0 289.419 3.631 10 0 CHAERO CCCC[N@H+](CC)C[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000020566474 171254904 /nfs/dbraw/zinc/25/49/04/171254904.db2.gz RXJCZKZFPIWNCK-AWDGRILASA-N 1 0 278.484 3.652 10 0 CHAERO Fc1cc(F)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595919 171264532 /nfs/dbraw/zinc/26/45/32/171264532.db2.gz GJXMBGNPWTXBSO-INIZCTEOSA-N 1 0 288.341 3.651 10 0 CHAERO Fc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000020595833 171264648 /nfs/dbraw/zinc/26/46/48/171264648.db2.gz CPLNWYFTZHJHNZ-HNNXBMFYSA-N 1 0 288.341 3.651 10 0 CHAERO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876577 171277763 /nfs/dbraw/zinc/27/77/63/171277763.db2.gz LPUSHFRCQSZHSV-CYBMUJFWSA-N 1 0 293.794 3.769 10 0 CHAERO CCCOc1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000020924510 171279941 /nfs/dbraw/zinc/27/99/41/171279941.db2.gz WWIBQFZSCPGIHP-UHFFFAOYSA-N 1 0 273.351 3.904 10 0 CHAERO CCOc1cc2c(cc1C[NH2+]C1CCCCC1)O[C@H](C)C2 ZINC000021007878 171285276 /nfs/dbraw/zinc/28/52/76/171285276.db2.gz FHHPNIDGFJSIJF-CYBMUJFWSA-N 1 0 289.419 3.831 10 0 CHAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccccc1C(F)(F)F ZINC000021008888 171285686 /nfs/dbraw/zinc/28/56/86/171285686.db2.gz BGAMXGPJTWHHCW-RYUDHWBXSA-N 1 0 275.314 3.990 10 0 CHAERO CCN(C[C@H]([NH3+])c1ccccc1C)c1ccccc1C ZINC000021010228 171286907 /nfs/dbraw/zinc/28/69/07/171286907.db2.gz DWRMFEWTQALQAX-KRWDZBQOSA-N 1 0 268.404 3.830 10 0 CHAERO Cc1ccc(C)c([C@H]([NH3+])CN2c3ccccc3C[C@@H]2C)c1 ZINC000021012299 171288048 /nfs/dbraw/zinc/28/80/48/171288048.db2.gz LFZJPDJPLYSDEP-MAUKXSAKSA-N 1 0 280.415 3.754 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](N)c2ccc3ccccc3c2)C1 ZINC000021012542 171288066 /nfs/dbraw/zinc/28/80/66/171288066.db2.gz XJEDPFSJGLOWHH-ZRGWGRIASA-N 1 0 282.431 3.818 10 0 CHAERO Cc1cc2ncn([C@@H]3CCCCCC[C@H]3[NH3+])c2cc1C ZINC000021503199 171306262 /nfs/dbraw/zinc/30/62/62/171306262.db2.gz GSMOLNWKMXOKLS-GDBMZVCRSA-N 1 0 271.408 3.876 10 0 CHAERO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2)[C@@H]1C ZINC000021503833 171306745 /nfs/dbraw/zinc/30/67/45/171306745.db2.gz HVANAFAXZPQQBP-LALPHHSUSA-N 1 0 294.826 3.693 10 0 CHAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc(OCC)c(OCC)c1 ZINC000021505763 171307639 /nfs/dbraw/zinc/30/76/39/171307639.db2.gz TWTQGWQFFKUGOK-BLLLJJGKSA-N 1 0 265.397 3.920 10 0 CHAERO CCc1cccc(O[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000021505304 171307736 /nfs/dbraw/zinc/30/77/36/171307736.db2.gz CJDNCDVQHIGPQM-CXAGYDPISA-N 1 0 255.361 3.716 10 0 CHAERO CCC[NH+](CCC)[C@@H](CN)c1c(C)cc(C)cc1C ZINC000021516176 171312325 /nfs/dbraw/zinc/31/23/25/171312325.db2.gz AUWPMVWROYGUIH-INIZCTEOSA-N 1 0 262.441 3.734 10 0 CHAERO CCCOc1ccccc1O[C@H](CC)[C@@H]([NH3+])CCC ZINC000021800902 171325865 /nfs/dbraw/zinc/32/58/65/171325865.db2.gz IZYNBXIEVWLPQK-UONOGXRCSA-N 1 0 265.397 3.760 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCCCCCC1 ZINC000021804928 171326955 /nfs/dbraw/zinc/32/69/55/171326955.db2.gz HFNWUVMFFGVJCX-GFCCVEGCSA-N 1 0 250.361 3.616 10 0 CHAERO Cc1ccc(OC[C@@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000021812894 171329988 /nfs/dbraw/zinc/32/99/88/171329988.db2.gz QXCSRMPSUJGPKN-AWEZNQCLSA-N 1 0 261.409 3.813 10 0 CHAERO COc1cc(C)ccc1O[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021814420 171331507 /nfs/dbraw/zinc/33/15/07/171331507.db2.gz USNXXONUTPATSY-IJEWVQPXSA-N 1 0 291.435 3.925 10 0 CHAERO CCc1ccc([C@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021814532 171331660 /nfs/dbraw/zinc/33/16/60/171331660.db2.gz ULABOQNCGYBRSH-IAOVAPTHSA-N 1 0 261.409 3.844 10 0 CHAERO CCOc1ccc([C@H](N)C[N@H+](CC)C2CCCCC2)cc1 ZINC000021816720 171332433 /nfs/dbraw/zinc/33/24/33/171332433.db2.gz AWNZLDDHICDMRF-GOSISDBHSA-N 1 0 290.451 3.740 10 0 CHAERO N[C@@H](C[NH+]1CCCCCC1)c1ccc2ccccc2c1 ZINC000021818355 171333097 /nfs/dbraw/zinc/33/30/97/171333097.db2.gz YPKUGPTWZQZYJI-SFHVURJKSA-N 1 0 268.404 3.716 10 0 CHAERO CC(C)C[C@H]1CN[C@H](C(C)C)C[N@@H+]1Cc1ccccc1 ZINC000021986724 171345669 /nfs/dbraw/zinc/34/56/69/171345669.db2.gz ORWWEAVWTJMTDI-ROUUACIJSA-N 1 0 274.452 3.531 10 0 CHAERO CC(C)N(C)[C@@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000022177496 171371612 /nfs/dbraw/zinc/37/16/12/171371612.db2.gz HHXBFJWEIFZPJH-LBPRGKRZSA-N 1 0 292.370 3.639 10 0 CHAERO C[C@@H]([NH3+])CCc1ccc(OCc2cccc(F)c2)cc1 ZINC000022215261 171375473 /nfs/dbraw/zinc/37/54/73/171375473.db2.gz UKXWSUPQTAQANZ-CYBMUJFWSA-N 1 0 273.351 3.685 10 0 CHAERO [NH3+]Cc1cccnc1Oc1ccccc1-c1ccccc1 ZINC000022217089 171375857 /nfs/dbraw/zinc/37/58/57/171375857.db2.gz CDZKKZMANRDHRN-UHFFFAOYSA-N 1 0 276.339 4.000 10 0 CHAERO Cc1ccc([C@H]([NH3+])[C@H](C)Oc2ccccc2F)cc1 ZINC000022564836 171392156 /nfs/dbraw/zinc/39/21/56/171392156.db2.gz WVEDLAYFARMKEF-BLLLJJGKSA-N 1 0 259.324 3.601 10 0 CHAERO CCOc1ccccc1O[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000023069882 171410247 /nfs/dbraw/zinc/41/02/47/171410247.db2.gz IIMMMWSXQDMVRY-DYVFJYSZSA-N 1 0 271.360 3.553 10 0 CHAERO CC[NH+](CC)CCCNc1cccc(Br)c1 ZINC000028466486 171559134 /nfs/dbraw/zinc/55/91/34/171559134.db2.gz NMVDKUWNOAMZHZ-UHFFFAOYSA-N 1 0 285.229 3.593 10 0 CHAERO Fc1ccc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)cc1 ZINC000029553592 171603172 /nfs/dbraw/zinc/60/31/72/171603172.db2.gz KSTQTBPDPFIZBT-UHFFFAOYSA-N 1 0 284.309 3.554 10 0 CHAERO Cc1ccc([C@H](CN)[NH+](CC(C)C)CC(C)C)cc1 ZINC000032026529 171687462 /nfs/dbraw/zinc/68/74/62/171687462.db2.gz XTVQKCZWELDFIO-KRWDZBQOSA-N 1 0 262.441 3.609 10 0 CHAERO [NH3+]CCC[C@@H](Oc1ccccc1F)c1ccccc1 ZINC000032111074 171703592 /nfs/dbraw/zinc/70/35/92/171703592.db2.gz NXOXNKJHQWKGHA-OAHLLOKOSA-N 1 0 259.324 3.685 10 0 CHAERO CC(C)[NH2+]Cc1cccc(OCCc2ccccc2)c1 ZINC000032117723 171710000 /nfs/dbraw/zinc/71/00/00/171710000.db2.gz JVCIFBHNGPVLOJ-UHFFFAOYSA-N 1 0 269.388 3.806 10 0 CHAERO C[NH+](C)CCC[C@H](c1ccccc1)c1ccccc1O ZINC000033895961 171824887 /nfs/dbraw/zinc/82/48/87/171824887.db2.gz YUQOJMOYGHQZGR-MRXNPFEDSA-N 1 0 269.388 3.866 10 0 CHAERO CCC[NH2+]Cc1ccc(OCCC(C)C)c(OC)c1 ZINC000034652090 171847455 /nfs/dbraw/zinc/84/74/55/171847455.db2.gz GCWJXLSBWGUAPX-UHFFFAOYSA-N 1 0 265.397 3.620 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000034672659 171858224 /nfs/dbraw/zinc/85/82/24/171858224.db2.gz AKBCXWCYLZZLKD-QMMMGPOBSA-N 1 0 253.317 3.974 10 0 CHAERO CC[NH2+][C@H](C)c1ccccc1Sc1ccccn1 ZINC000034846513 171888391 /nfs/dbraw/zinc/88/83/91/171888391.db2.gz RRARMCOZIQOTEK-GFCCVEGCSA-N 1 0 258.390 3.903 10 0 CHAERO CSc1ccc(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000035022008 171941310 /nfs/dbraw/zinc/94/13/10/171941310.db2.gz APNPCFQCMMDSMD-STQMWFEESA-N 1 0 277.433 3.569 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000035151136 172014374 /nfs/dbraw/zinc/01/43/74/172014374.db2.gz MNTFPUNTGHXTOS-QCAJKXFRSA-N 1 0 277.452 3.750 10 0 CHAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1CCC(C)CC1 ZINC000035159781 172017516 /nfs/dbraw/zinc/01/75/16/172017516.db2.gz YRNPFIJQNANWFG-UHFFFAOYSA-N 1 0 294.826 3.755 10 0 CHAERO CC(C)[C@@H]([C@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000035206599 172050803 /nfs/dbraw/zinc/05/08/03/172050803.db2.gz PSJJPWLLDPPLMW-MOPGFXCFSA-N 1 0 282.431 3.843 10 0 CHAERO C[N@H+](C1CCCCC1)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000035219766 172061367 /nfs/dbraw/zinc/06/13/67/172061367.db2.gz UXTSKUIEIWJQAD-ROUUACIJSA-N 1 0 272.436 3.656 10 0 CHAERO FC(F)(F)CO[C@H]1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000035273173 172093632 /nfs/dbraw/zinc/09/36/32/172093632.db2.gz IUCPYFPKDMFMMH-QWRGUYRKSA-N 1 0 293.354 3.728 10 0 CHAERO CCc1ccc([C@H]2C[NH2+]C[C@@H](c3ccccc3)O2)cc1 ZINC000035285535 172103517 /nfs/dbraw/zinc/10/35/17/172103517.db2.gz DOJAXGUFIDYWLG-ZWKOTPCHSA-N 1 0 267.372 3.651 10 0 CHAERO C[C@H](NC1=[NH+][C@@H](C)CS1)C12CC3CC(CC(C3)C1)C2 ZINC000035294339 172106048 /nfs/dbraw/zinc/10/60/48/172106048.db2.gz ONPQBSUYNVVFAK-AJNSSVRESA-N 1 0 278.465 3.672 10 0 CHAERO [NH3+][C@@H](c1ccc(Br)s1)c1ccccc1 ZINC000035379514 172162360 /nfs/dbraw/zinc/16/23/60/172162360.db2.gz RKXZKGDIGFWZQI-LLVKDONJSA-N 1 0 268.179 3.559 10 0 CHAERO Cc1ccc(C)c([C@H]([NH3+])c2ccc(Br)o2)c1 ZINC000035381058 172163249 /nfs/dbraw/zinc/16/32/49/172163249.db2.gz AJFLFLDIOMYGFR-ZDUSSCGKSA-N 1 0 280.165 3.707 10 0 CHAERO CC[C@@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2s1 ZINC000035411285 172182967 /nfs/dbraw/zinc/18/29/67/172182967.db2.gz QOCDBLZWWCSOOC-SSDOTTSWSA-N 1 0 260.284 3.725 10 0 CHAERO COc1ccc([C@H]([NH3+])Cc2ccccc2Cl)cc1F ZINC000035424640 172193460 /nfs/dbraw/zinc/19/34/60/172193460.db2.gz MEIQVAZESHOXOK-CQSZACIVSA-N 1 0 279.742 3.730 10 0 CHAERO CCc1ccc([C@H](Cc2cccc(F)c2)[NH2+]C)s1 ZINC000035460851 172209230 /nfs/dbraw/zinc/20/92/30/172209230.db2.gz NICJPOJWFKTJJH-AWEZNQCLSA-N 1 0 263.381 3.953 10 0 CHAERO C[NH2+][C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000035461733 172209736 /nfs/dbraw/zinc/20/97/36/172209736.db2.gz LIUSDORZMIXBEI-HNNXBMFYSA-N 1 0 261.752 3.657 10 0 CHAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000035466856 172215465 /nfs/dbraw/zinc/21/54/65/172215465.db2.gz PWNLBYPIYZTLQO-LRDDRELGSA-N 1 0 263.381 3.545 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000035488038 172222757 /nfs/dbraw/zinc/22/27/57/172222757.db2.gz OGTMOHMCVILXJA-GFCCVEGCSA-N 1 0 251.782 3.905 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(F)cc1F ZINC000035491589 172225356 /nfs/dbraw/zinc/22/53/56/172225356.db2.gz TXEDJQFKLXQPMT-INIZCTEOSA-N 1 0 261.315 3.776 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2ccc(Br)o2)cc1 ZINC000035494877 172227926 /nfs/dbraw/zinc/22/79/26/172227926.db2.gz RUDWYUKLKGJFPT-AWEZNQCLSA-N 1 0 294.192 3.913 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1F ZINC000035498340 172232460 /nfs/dbraw/zinc/23/24/60/172232460.db2.gz LCBKEILBPCJUSE-LBPRGKRZSA-N 1 0 255.745 3.849 10 0 CHAERO CCCC[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501207 172235395 /nfs/dbraw/zinc/23/53/95/172235395.db2.gz DTKYVWXIQBGQJC-GFCCVEGCSA-N 1 0 271.788 3.808 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504387 172238492 /nfs/dbraw/zinc/23/84/92/172238492.db2.gz DIUBXBPLLQZGAH-ABAIWWIYSA-N 1 0 273.401 3.689 10 0 CHAERO CC[NH2+][C@@H](c1cc(Br)ccc1OC)[C@H]1C[C@@H]1C ZINC000035509163 172240999 /nfs/dbraw/zinc/24/09/99/172240999.db2.gz NZKKFQPIXDANSP-NURSFMCSSA-N 1 0 298.224 3.764 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)c(Cl)c1 ZINC000035538704 172244908 /nfs/dbraw/zinc/24/49/08/172244908.db2.gz XKRWWGIWVSNMIN-SNVBAGLBSA-N 1 0 281.705 3.952 10 0 CHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(OCC)cc1 ZINC000035541211 172249173 /nfs/dbraw/zinc/24/91/73/172249173.db2.gz BBFBGVSHAHVSBJ-INIZCTEOSA-N 1 0 259.349 3.686 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc(C)c(OC)c1 ZINC000035545436 172253665 /nfs/dbraw/zinc/25/36/65/172253665.db2.gz HQNDFFRUASMCJI-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)c1cccs1 ZINC000035545504 172253804 /nfs/dbraw/zinc/25/38/04/172253804.db2.gz LEJSFRSYGFISQR-AWEZNQCLSA-N 1 0 261.390 3.650 10 0 CHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(F)c(F)c1 ZINC000035548633 172257057 /nfs/dbraw/zinc/25/70/57/172257057.db2.gz PJADJYFTXBOSOJ-CQSZACIVSA-N 1 0 251.276 3.565 10 0 CHAERO CC[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1cnn(C)c1 ZINC000035555617 172261916 /nfs/dbraw/zinc/26/19/16/172261916.db2.gz IHPFDTVOYVQGMS-JSGCOSHPSA-N 1 0 251.418 3.533 10 0 CHAERO CCC[NH2+][C@H](c1ccc(CC)s1)[C@H]1CCCO1 ZINC000035573638 172270424 /nfs/dbraw/zinc/27/04/24/172270424.db2.gz WHWXYYYPAQGBIT-OCCSQVGLSA-N 1 0 253.411 3.530 10 0 CHAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(OC)cc1 ZINC000035576233 172272537 /nfs/dbraw/zinc/27/25/37/172272537.db2.gz KYHLFOJSGFWZAF-HNNXBMFYSA-N 1 0 261.390 3.846 10 0 CHAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)C(C)(C)C ZINC000035583873 172282369 /nfs/dbraw/zinc/28/23/69/172282369.db2.gz NZKUCEDHCFFXRV-AWEZNQCLSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)C(C)(C)C ZINC000035583874 172282803 /nfs/dbraw/zinc/28/28/03/172282803.db2.gz NZKUCEDHCFFXRV-CQSZACIVSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035586350 172285575 /nfs/dbraw/zinc/28/55/75/172285575.db2.gz ABUVRTFLDLGMBS-ZDUSSCGKSA-N 1 0 298.217 4.000 10 0 CHAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@H]1C[C@@H]1C ZINC000035598569 172287756 /nfs/dbraw/zinc/28/77/56/172287756.db2.gz RNSJOVLKTIMDQJ-ITDIGPHOSA-N 1 0 251.345 3.531 10 0 CHAERO CCOCCOc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000035630694 172312207 /nfs/dbraw/zinc/31/22/07/172312207.db2.gz HHGGHEHFINTTNY-UHFFFAOYSA-N 1 0 287.403 3.753 10 0 CHAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)CCC(C)C ZINC000035643608 172321179 /nfs/dbraw/zinc/32/11/79/172321179.db2.gz GBCVZFCSGPEWRE-ZDUSSCGKSA-N 1 0 262.397 3.732 10 0 CHAERO Cc1ccc(C(C)(C)C)c2c1[C@H]([NH2+]C1CC1)CCO2 ZINC000035653197 172329491 /nfs/dbraw/zinc/32/94/91/172329491.db2.gz HPAMWPTUZCCIQK-CQSZACIVSA-N 1 0 259.393 3.868 10 0 CHAERO Cc1cc2c(c(C)c1Cl)[C@@H]([NH2+]C1CC1)CCO2 ZINC000035657754 172332551 /nfs/dbraw/zinc/33/25/51/172332551.db2.gz GPIMCVWPRKUAIS-NSHDSACASA-N 1 0 251.757 3.532 10 0 CHAERO [NH3+]Cc1ccc(Sc2nc3ccccc3s2)cc1 ZINC000035719981 172374877 /nfs/dbraw/zinc/37/48/77/172374877.db2.gz UESLZWMFPDSIAQ-UHFFFAOYSA-N 1 0 272.398 3.906 10 0 CHAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](SCc2ccco2)C1 ZINC000035721822 172377478 /nfs/dbraw/zinc/37/74/78/172377478.db2.gz ODWNLCYMONFYJS-MBNYWOFBSA-N 1 0 253.411 3.666 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1ccc(F)c(F)c1 ZINC000035722083 172377624 /nfs/dbraw/zinc/37/76/24/172377624.db2.gz FVCQXOKCZSEURJ-RNCFNFMXSA-N 1 0 257.349 3.574 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1ccccc1Cl ZINC000035723434 172378974 /nfs/dbraw/zinc/37/89/74/172378974.db2.gz MHDATJJXPAZZMQ-ZYHUDNBSSA-N 1 0 255.814 3.950 10 0 CHAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2cc(F)ccc2F)C1 ZINC000035724994 172379786 /nfs/dbraw/zinc/37/97/86/172379786.db2.gz MXIQJEZRZLVBAF-GBIKHYSHSA-N 1 0 271.376 3.820 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1cc(F)ccc1F ZINC000035724999 172380037 /nfs/dbraw/zinc/38/00/37/172380037.db2.gz ZWBRADUGHHYEEL-MFKMUULPSA-N 1 0 271.376 3.965 10 0 CHAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nc(C)cs2)C1 ZINC000035724642 172380226 /nfs/dbraw/zinc/38/02/26/172380226.db2.gz BODTWAAGNWCVDT-IJLUTSLNSA-N 1 0 270.467 3.697 10 0 CHAERO CCC[NH2+][C@@H]1C[C@H](C)Oc2ccc(Br)cc21 ZINC000035751469 172396704 /nfs/dbraw/zinc/39/67/04/172396704.db2.gz MYNVDIAFAAVDNY-JOYOIKCWSA-N 1 0 284.197 3.661 10 0 CHAERO Cc1cc(C)c(-c2csc([C@@H](C)C[NH3+])n2)c(C)c1 ZINC000036173300 172493556 /nfs/dbraw/zinc/49/35/56/172493556.db2.gz VADOWFDVZOHNKF-LBPRGKRZSA-N 1 0 260.406 3.798 10 0 CHAERO CC[C@H](C)[C@H]([NH3+])c1nc(-c2ccc(C)cc2)c(C)[nH]1 ZINC000036877736 172773377 /nfs/dbraw/zinc/77/33/77/172773377.db2.gz NSARTJZQMSPDTI-FZMZJTMJSA-N 1 0 257.381 3.739 10 0 CHAERO CCOc1cc(Cl)c([C@@H]([NH3+])C2CC2)cc1OCC ZINC000036926304 172809324 /nfs/dbraw/zinc/80/93/24/172809324.db2.gz VAWZYECFTLGWGL-AWEZNQCLSA-N 1 0 269.772 3.547 10 0 CHAERO C[C@H]([NH3+])c1ccc(-c2cccc3cccnc32)s1 ZINC000036927589 172809746 /nfs/dbraw/zinc/80/97/46/172809746.db2.gz PYIDYRTVSXIJEF-JTQLQIEISA-N 1 0 254.358 3.983 10 0 CHAERO Cc1ccc(C(C)C)c(O[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000037179182 173011920 /nfs/dbraw/zinc/01/19/20/173011920.db2.gz NJEBSEXKBLWZKW-ZDUSSCGKSA-N 1 0 275.314 3.777 10 0 CHAERO Cc1ccc2sc(-c3ccc(C[NH3+])cc3)nc2c1 ZINC000037204492 173026811 /nfs/dbraw/zinc/02/68/11/173026811.db2.gz WYSZTNFIPDGAKM-UHFFFAOYSA-N 1 0 254.358 3.730 10 0 CHAERO C[NH+](C)C(C)(C)CNC(c1cccs1)c1cccs1 ZINC000037220457 173038747 /nfs/dbraw/zinc/03/87/47/173038747.db2.gz MUCKTFZBYFXURH-UHFFFAOYSA-N 1 0 294.489 3.829 10 0 CHAERO CC(C)[C@@H]([NH2+]C[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000037233460 173052051 /nfs/dbraw/zinc/05/20/51/173052051.db2.gz FVCAZKMOVWTUNV-IAGOWNOFSA-N 1 0 262.441 3.560 10 0 CHAERO CCC[NH2+]Cc1cc(F)ccc1N(CC)[C@H](C)CC ZINC000037236736 173053863 /nfs/dbraw/zinc/05/38/63/173053863.db2.gz VDOMLEGTWSGOBI-CYBMUJFWSA-N 1 0 266.404 3.950 10 0 CHAERO CCc1ccccc1Oc1ccc(F)cc1C[NH2+]C ZINC000037238412 173055306 /nfs/dbraw/zinc/05/53/06/173055306.db2.gz UXSFIMQPKNWNKI-UHFFFAOYSA-N 1 0 259.324 3.900 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000037239433 173056166 /nfs/dbraw/zinc/05/61/66/173056166.db2.gz XUZBBRVPQFWYNJ-CQSZACIVSA-N 1 0 268.385 3.800 10 0 CHAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000037279429 173089097 /nfs/dbraw/zinc/08/90/97/173089097.db2.gz ZICOOCNERDMJRU-LVNYTYFRSA-N 1 0 265.441 3.748 10 0 CHAERO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037303865 173108762 /nfs/dbraw/zinc/10/87/62/173108762.db2.gz WPXVOJMKBMRYIT-ZACQAIPSSA-N 1 0 259.393 3.685 10 0 CHAERO C[N@H+](Cc1cc(N)ccc1Cl)C1CCCCC1 ZINC000037403019 173179557 /nfs/dbraw/zinc/17/95/57/173179557.db2.gz ZKWRGRVBJGQPSE-UHFFFAOYSA-N 1 0 252.789 3.687 10 0 CHAERO CCCCCCn1nc(C)c(C[NH2+]CCC)c1C ZINC000037412323 173189054 /nfs/dbraw/zinc/18/90/54/173189054.db2.gz WKSGHOYAPXGLTG-UHFFFAOYSA-N 1 0 251.418 3.580 10 0 CHAERO CCCC[C@@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439688 173209699 /nfs/dbraw/zinc/20/96/99/173209699.db2.gz WVNUIWBOTOMMJU-GFCCVEGCSA-N 1 0 263.360 3.946 10 0 CHAERO CCC[NH2+][C@]1(C(=O)OCC)CCCC[C@H]1C(C)(C)C ZINC000037513478 173244721 /nfs/dbraw/zinc/24/47/21/173244721.db2.gz BTNXVFDIPWMKKZ-XJKSGUPXSA-N 1 0 269.429 3.524 10 0 CHAERO [NH3+][C@@]1(Cc2cccc(F)c2)CCCc2ccccc21 ZINC000037530633 173252720 /nfs/dbraw/zinc/25/27/20/173252720.db2.gz JTDIWDJWPCCTSH-QGZVFWFLSA-N 1 0 255.336 3.559 10 0 CHAERO Cc1ccccc1[C@@](C)([NH3+])c1ccccc1Br ZINC000037529773 173253065 /nfs/dbraw/zinc/25/30/65/173253065.db2.gz DIEJDFGGMFXZQY-OAHLLOKOSA-N 1 0 290.204 3.980 10 0 CHAERO CCC[NH2+][C@H](Cc1ccccc1F)c1ccccn1 ZINC000037534546 173254590 /nfs/dbraw/zinc/25/45/90/173254590.db2.gz LLXBYHHNSOUJLV-MRXNPFEDSA-N 1 0 258.340 3.504 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)Cc1ccccc1F ZINC000037534185 173254721 /nfs/dbraw/zinc/25/47/21/173254721.db2.gz ZHVGESISSNDMEZ-HNNXBMFYSA-N 1 0 277.770 3.852 10 0 CHAERO CC[C@H](C)[NH2+]Cc1nc2c(cccc2F)n1C(C)C ZINC000037600072 173553689 /nfs/dbraw/zinc/55/36/89/173553689.db2.gz XMOPTZFNUVOGIP-NSHDSACASA-N 1 0 263.360 3.644 10 0 CHAERO CC[C@H]([NH3+])Cc1ccccc1OCc1ccsc1 ZINC000037724826 173643916 /nfs/dbraw/zinc/64/39/16/173643916.db2.gz LAPSPJFZRWQNHT-AWEZNQCLSA-N 1 0 261.390 3.607 10 0 CHAERO O[C@@H](C[NH2+]CCC1CCCC1)c1ccccc1Cl ZINC000037741197 173662604 /nfs/dbraw/zinc/66/26/04/173662604.db2.gz CEUMAMSWXAUYET-HNNXBMFYSA-N 1 0 267.800 3.543 10 0 CHAERO CCSc1ccccc1NC1CC[NH+](CC)CC1 ZINC000037779211 173709845 /nfs/dbraw/zinc/70/98/45/173709845.db2.gz ZCFRPMNPWRSBNX-UHFFFAOYSA-N 1 0 264.438 3.695 10 0 CHAERO CCC[C@@H](CCc1ccc(F)cc1Br)[NH2+]C ZINC000038001185 173963902 /nfs/dbraw/zinc/96/39/02/173963902.db2.gz IZHHBRGMSCBTHK-LBPRGKRZSA-N 1 0 288.204 3.909 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)c(C)c1 ZINC000038028510 174017614 /nfs/dbraw/zinc/01/76/14/174017614.db2.gz UHYOECSRNPYCGA-DLBZAZTESA-N 1 0 274.452 3.828 10 0 CHAERO Cc1ccccc1[C@H](C)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032460 174028141 /nfs/dbraw/zinc/02/81/41/174028141.db2.gz AGKUVSKFPVXOBK-AWEZNQCLSA-N 1 0 266.388 3.697 10 0 CHAERO Cc1ccc([C@@H](C)[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032474 174028170 /nfs/dbraw/zinc/02/81/70/174028170.db2.gz AQZYOIGUDSAARM-CQSZACIVSA-N 1 0 266.388 3.697 10 0 CHAERO C[C@@H](CCc1ccccc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032472 174028600 /nfs/dbraw/zinc/02/86/00/174028600.db2.gz HXYBRSIRLMTCHQ-HNNXBMFYSA-N 1 0 280.415 3.648 10 0 CHAERO CCc1ccc([C@@H](C)[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032689 174028967 /nfs/dbraw/zinc/02/89/67/174028967.db2.gz FEGSDZAIHKEKQP-CQSZACIVSA-N 1 0 280.415 3.951 10 0 CHAERO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032634 174028973 /nfs/dbraw/zinc/02/89/73/174028973.db2.gz UBEFWMWDFRWMJK-MLGOLLRUSA-N 1 0 282.387 3.544 10 0 CHAERO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032632 174028985 /nfs/dbraw/zinc/02/89/85/174028985.db2.gz UBEFWMWDFRWMJK-WBMJQRKESA-N 1 0 282.387 3.544 10 0 CHAERO Clc1cc(Cl)c(NC2CC[NH2+]CC2)cc1Cl ZINC000038040519 174041232 /nfs/dbraw/zinc/04/12/32/174041232.db2.gz YUCXFEBSLYMNDU-UHFFFAOYSA-N 1 0 279.598 3.811 10 0 CHAERO COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCCOC3)oc21 ZINC000038044506 174052185 /nfs/dbraw/zinc/05/21/85/174052185.db2.gz DRMQTTPNJOIGBF-STQMWFEESA-N 1 0 289.375 3.519 10 0 CHAERO Clc1cc(Cl)cc(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000038052042 174063495 /nfs/dbraw/zinc/06/34/95/174063495.db2.gz IKMMCWWZEJVTLH-CYBMUJFWSA-N 1 0 274.191 3.652 10 0 CHAERO [NH3+][C@H](CC1CCCCC1)c1ccc2c(c1)CCCO2 ZINC000038057734 174067974 /nfs/dbraw/zinc/06/79/74/174067974.db2.gz KJDKYMYWLFARST-MRXNPFEDSA-N 1 0 259.393 3.982 10 0 CHAERO [NH3+][C@@H](CC1CCCCC1)c1ccc2c(c1)CCCO2 ZINC000038057735 174068268 /nfs/dbraw/zinc/06/82/68/174068268.db2.gz KJDKYMYWLFARST-INIZCTEOSA-N 1 0 259.393 3.982 10 0 CHAERO [NH3+][C@@H](CCC1CCCC1)c1ccc2c(c1)CCCO2 ZINC000038057823 174068381 /nfs/dbraw/zinc/06/83/81/174068381.db2.gz POADPJQGUFSJSC-INIZCTEOSA-N 1 0 259.393 3.982 10 0 CHAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)C1CCCC1 ZINC000038058119 174069032 /nfs/dbraw/zinc/06/90/32/174069032.db2.gz AIJCIUPMIXSVRI-KRWDZBQOSA-N 1 0 259.393 3.852 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000038070102 174081116 /nfs/dbraw/zinc/08/11/16/174081116.db2.gz ANWFRGCMVHKQDC-CYBMUJFWSA-N 1 0 254.377 3.700 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccccc2OC)cc1F ZINC000038070459 174081454 /nfs/dbraw/zinc/08/14/54/174081454.db2.gz ZHPGVFBALRKJHM-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO Fc1cc(F)cc(-c2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000038070216 174081625 /nfs/dbraw/zinc/08/16/25/174081625.db2.gz OSRBIWZCYAYMKM-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(OC)c(OC)c2)c1 ZINC000038070512 174081689 /nfs/dbraw/zinc/08/16/89/174081689.db2.gz LVMAXPOWOFEBGR-LBPRGKRZSA-N 1 0 271.360 3.651 10 0 CHAERO CCCc1ccc(-c2ccc(OC)c(C[NH3+])c2)cc1 ZINC000038072514 174082927 /nfs/dbraw/zinc/08/29/27/174082927.db2.gz WPAABRMJYHVIKE-UHFFFAOYSA-N 1 0 255.361 3.773 10 0 CHAERO C[NH2+]Cc1ccc(F)c(-c2ccc(OC)cc2C)c1 ZINC000038072758 174083337 /nfs/dbraw/zinc/08/33/37/174083337.db2.gz ZFVDSWNITUPYSD-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO C[C@@H]([NH3+])c1cccc(-c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000038073534 174083952 /nfs/dbraw/zinc/08/39/52/174083952.db2.gz ULFCIOXFYJSVSM-VXGBXAGGSA-N 1 0 253.345 3.697 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2ccc(OC)c(C)c2)c1 ZINC000038073647 174084134 /nfs/dbraw/zinc/08/41/34/174084134.db2.gz SUQWAHUGSBVWDO-CYBMUJFWSA-N 1 0 255.361 3.951 10 0 CHAERO C[C@@H]([NH3+])c1ccccc1-c1ccc2c(c1)C[C@@H](C)O2 ZINC000038073528 174084141 /nfs/dbraw/zinc/08/41/41/174084141.db2.gz GHLQBKDLDMDLLJ-VXGBXAGGSA-N 1 0 253.345 3.697 10 0 CHAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)c1ccccn1 ZINC000038077395 174087386 /nfs/dbraw/zinc/08/73/86/174087386.db2.gz SQXDGIGKCGGESN-QGZVFWFLSA-N 1 0 254.377 3.592 10 0 CHAERO CCCCc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C)cc1 ZINC000038087870 174100301 /nfs/dbraw/zinc/10/03/01/174100301.db2.gz XGVYQCDMVRDBLQ-CABCVRRESA-N 1 0 262.441 3.630 10 0 CHAERO C[C@H](CN[C@@H](C)c1c(Cl)ccc(F)c1Cl)[NH+](C)C ZINC000038088302 174101221 /nfs/dbraw/zinc/10/12/21/174101221.db2.gz WMQZFELNNOMYDY-BDAKNGLRSA-N 1 0 293.213 3.733 10 0 CHAERO Cc1csc(C[NH2+]C2CC(c3cccc(C)c3)C2)n1 ZINC000038090970 174104560 /nfs/dbraw/zinc/10/45/60/174104560.db2.gz DVWKZCSUDIUDPE-UHFFFAOYSA-N 1 0 272.417 3.796 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc1C ZINC000038095892 174109367 /nfs/dbraw/zinc/10/93/67/174109367.db2.gz UJWMFZWANVYEAX-HZPDHXFCSA-N 1 0 261.409 3.832 10 0 CHAERO CCc1ccc([C@@H](CC)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038096077 174110101 /nfs/dbraw/zinc/11/01/01/174110101.db2.gz VTDGYVBYMKXMRG-DLBZAZTESA-N 1 0 261.409 3.859 10 0 CHAERO Clc1cccc(C2CC([NH2+]CC[C@H]3CCCO3)C2)c1 ZINC000038096140 174110536 /nfs/dbraw/zinc/11/05/36/174110536.db2.gz KCCCOUKHYDUQAN-AVVWSFFYSA-N 1 0 279.811 3.745 10 0 CHAERO C#[N+][C@@H](c1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000038534288 174143985 /nfs/dbraw/zinc/14/39/85/174143985.db2.gz GAGYKLPTWOZVPW-OAHLLOKOSA-N 1 0 290.339 3.569 10 0 CHAERO CC(C)CCOc1ccccc1CC[NH+]1CCCC1 ZINC000038611879 174150263 /nfs/dbraw/zinc/15/02/63/174150263.db2.gz WYIDYHUPOBIZFH-UHFFFAOYSA-N 1 0 261.409 3.750 10 0 CHAERO C[C@H](O[C@H]1CCC[C@@H](C)C1)[C@H]([NH3+])c1ccc(F)cc1 ZINC000040177316 174202003 /nfs/dbraw/zinc/20/20/03/174202003.db2.gz FVLGVLKCSOIUGD-KNPMLCFXSA-N 1 0 265.372 3.809 10 0 CHAERO CC[NH2+]Cc1csc(-c2ccccc2Cl)n1 ZINC000040414563 174255419 /nfs/dbraw/zinc/25/54/19/174255419.db2.gz OFZVSBVCHAFPJF-UHFFFAOYSA-N 1 0 252.770 3.573 10 0 CHAERO C[C@H]([NH2+]Cc1cscn1)C12CC3CC(CC(C3)C1)C2 ZINC000040420465 174257428 /nfs/dbraw/zinc/25/74/28/174257428.db2.gz XANCHPRLXPYKAB-IKMFHRHGSA-N 1 0 276.449 3.838 10 0 CHAERO Cc1ccc(C[C@@H](C[NH3+])Cc2cccc(C)c2)cc1 ZINC000041323695 174520088 /nfs/dbraw/zinc/52/00/88/174520088.db2.gz QIUPWPBCTZLPHF-GOSISDBHSA-N 1 0 253.389 3.664 10 0 CHAERO Cc1ccc(Cl)cc1NCC[NH+]1CCC(C)CC1 ZINC000041384292 174540871 /nfs/dbraw/zinc/54/08/71/174540871.db2.gz PONMVISWYFIPMB-UHFFFAOYSA-N 1 0 266.816 3.792 10 0 CHAERO c1ccc2cc(OCC[NH2+]CC3CCCC3)ccc2c1 ZINC000041390407 174544285 /nfs/dbraw/zinc/54/42/85/174544285.db2.gz CESHHTLJWKIZLS-UHFFFAOYSA-N 1 0 269.388 3.998 10 0 CHAERO COc1ccc(C[C@@H](C[NH3+])Cc2ccc(C)cc2)cc1F ZINC000041463988 174556233 /nfs/dbraw/zinc/55/62/33/174556233.db2.gz QUHDISFCCNBQFC-INIZCTEOSA-N 1 0 287.378 3.503 10 0 CHAERO C[C@H](C[NH2+][C@H](c1cccs1)C1CC1)N1CCCCC1 ZINC000042331516 174687297 /nfs/dbraw/zinc/68/72/97/174687297.db2.gz VPPSGNLGADMFKC-CJNGLKHVSA-N 1 0 278.465 3.663 10 0 CHAERO Cc1ccc([C@H](N)[C@H](C)[N@@H+](C)[C@@H](C)CC(C)C)cc1 ZINC000042580926 174804755 /nfs/dbraw/zinc/80/47/55/174804755.db2.gz CSKOBJWWQCZTTB-YQQAZPJKSA-N 1 0 262.441 3.750 10 0 CHAERO C[C@H]([NH3+])[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000042904263 174907129 /nfs/dbraw/zinc/90/71/29/174907129.db2.gz CVTVRMDLLXOIMC-ZUZCIYMTSA-N 1 0 279.742 3.946 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1ccccn1)c1ccc(C)cc1 ZINC000042943175 174918791 /nfs/dbraw/zinc/91/87/91/174918791.db2.gz MESOEIGWBWKZOF-GDBMZVCRSA-N 1 0 272.417 3.961 10 0 CHAERO C[C@@H]([NH3+])[C@H](OC1CCCC1)c1ccc(Cl)cc1 ZINC000042947756 174922929 /nfs/dbraw/zinc/92/29/29/174922929.db2.gz YSFUAQGHAHHLKJ-YGRLFVJLSA-N 1 0 253.773 3.688 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC)c1ccc(Cl)cc1 ZINC000042949686 174923357 /nfs/dbraw/zinc/92/33/57/174923357.db2.gz PBAQGUKCSCEKJD-GDLCADMTSA-N 1 0 255.789 3.934 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1)c1cccc(C)c1 ZINC000042968129 174932392 /nfs/dbraw/zinc/93/23/92/174932392.db2.gz AWIFGYSFOLHJPN-SJORKVTESA-N 1 0 255.361 3.852 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)s1)c1cccc(C)c1 ZINC000042970342 174933324 /nfs/dbraw/zinc/93/33/24/174933324.db2.gz RWLITHJACLNPCL-STQMWFEESA-N 1 0 293.461 3.726 10 0 CHAERO CC[C@H]([NH3+])[C@H](OCCC(C)C)c1cccc(F)c1 ZINC000042973713 174936987 /nfs/dbraw/zinc/93/69/87/174936987.db2.gz VPZLFIYBPHJNAG-LSDHHAIUSA-N 1 0 253.361 3.667 10 0 CHAERO C[C@@H]([NH3+])[C@H](OCCc1cccs1)c1cccc(F)c1 ZINC000042974292 174937636 /nfs/dbraw/zinc/93/76/36/174937636.db2.gz WOIBSFRMFZAFGX-ABAIWWIYSA-N 1 0 279.380 3.535 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OCc1ccco1)c1cccc(Cl)c1 ZINC000043017099 174943446 /nfs/dbraw/zinc/94/34/46/174943446.db2.gz QAJKSMUCCOEPPG-GJZGRUSLSA-N 1 0 279.767 3.928 10 0 CHAERO CCC[N@H+](CC1CC1)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043035502 174950700 /nfs/dbraw/zinc/95/07/00/174950700.db2.gz IVNSKAJULUQPBK-RHSMWYFYSA-N 1 0 260.425 3.505 10 0 CHAERO [NH3+]C[C@@H](Sc1ccc(F)cc1F)c1ccccc1F ZINC000043049920 174958556 /nfs/dbraw/zinc/95/85/56/174958556.db2.gz AGKVIBCEYBJDMI-CQSZACIVSA-N 1 0 283.318 3.896 10 0 CHAERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1)c1ccccc1Cl ZINC000043087222 174962684 /nfs/dbraw/zinc/96/26/84/174962684.db2.gz RZYSGBDAIQKPQE-ZUZCIYMTSA-N 1 0 279.742 3.946 10 0 CHAERO CCCCCCO[C@H](c1ccccc1OC)[C@H](C)[NH3+] ZINC000043099984 174967150 /nfs/dbraw/zinc/96/71/50/174967150.db2.gz BBVWVIFMKZFQRM-BBRMVZONSA-N 1 0 265.397 3.680 10 0 CHAERO Cc1ccc(O[C@@H](c2cccs2)[C@@H](C)[NH3+])cc1C ZINC000043108348 174973642 /nfs/dbraw/zinc/97/36/42/174973642.db2.gz BRPASBIGRPCRTA-IUODEOHRSA-N 1 0 261.390 3.832 10 0 CHAERO Cc1ccc(O[C@H](c2cccs2)[C@@H](C)[NH3+])cc1C ZINC000043108352 174973657 /nfs/dbraw/zinc/97/36/57/174973657.db2.gz BRPASBIGRPCRTA-DOMZBBRYSA-N 1 0 261.390 3.832 10 0 CHAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1cc(F)ccc1F ZINC000043459038 175050445 /nfs/dbraw/zinc/05/04/45/175050445.db2.gz UGBWZIOMJXHHFT-NWDGAFQWSA-N 1 0 255.352 3.922 10 0 CHAERO [NH3+]Cc1ccc(OCc2sccc2Br)cc1 ZINC000043674259 175087981 /nfs/dbraw/zinc/08/79/81/175087981.db2.gz CAUYYMYLDZYUHY-UHFFFAOYSA-N 1 0 298.205 3.548 10 0 CHAERO [NH3+][C@H]1CCCCC[C@H]1Cc1cc(Br)cs1 ZINC000043688135 175095419 /nfs/dbraw/zinc/09/54/19/175095419.db2.gz PSKFMFIBBNDGHB-CABZTGNLSA-N 1 0 288.254 3.961 10 0 CHAERO Cc1cc(C)c([C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121741 175143196 /nfs/dbraw/zinc/14/31/96/175143196.db2.gz RJXJSHWZLJMHHL-YESZJQIVSA-N 1 0 275.436 3.908 10 0 CHAERO CCC[NH2+][C@@H]1CC(C)(C)Oc2cc(OCC)ccc21 ZINC000044421786 175174237 /nfs/dbraw/zinc/17/42/37/175174237.db2.gz WDEKRTRNJXTJKT-CQSZACIVSA-N 1 0 263.381 3.687 10 0 CHAERO CCN[C@@H](C)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000044471745 175178118 /nfs/dbraw/zinc/17/81/18/175178118.db2.gz SBQGULKKCJIHLC-HNNXBMFYSA-N 1 0 266.473 3.952 10 0 CHAERO C[C@H](C(=O)c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)C ZINC000045084556 175303492 /nfs/dbraw/zinc/30/34/92/175303492.db2.gz ALTXMQVJSKJQQE-LLVKDONJSA-N 1 0 267.800 3.889 10 0 CHAERO Cn1cc(C[NH2+]Cc2cccs2)c2ccccc21 ZINC000045944988 175387547 /nfs/dbraw/zinc/38/75/47/175387547.db2.gz BEEXVAJPFXPHAP-UHFFFAOYSA-N 1 0 256.374 3.530 10 0 CHAERO CCOCCC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945115 175387885 /nfs/dbraw/zinc/38/78/85/175387885.db2.gz SEVYCBMXCHMENM-UHFFFAOYSA-N 1 0 274.408 3.738 10 0 CHAERO CC[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000070943272 176016186 /nfs/dbraw/zinc/01/61/86/176016186.db2.gz AGELCRLUGBJSEM-JTQLQIEISA-N 1 0 292.732 3.547 10 0 CHAERO C[C@H]([NH3+])c1c(F)cccc1Oc1cc(F)ccc1F ZINC000071167888 176049376 /nfs/dbraw/zinc/04/93/76/176049376.db2.gz PGLYRDRCOSMJMM-QMMMGPOBSA-N 1 0 267.250 3.916 10 0 CHAERO C[NH2+]Cc1cc(F)ccc1Oc1cc(F)ccc1F ZINC000071168100 176049388 /nfs/dbraw/zinc/04/93/88/176049388.db2.gz ZNQTZHPQZUTLEI-UHFFFAOYSA-N 1 0 267.250 3.616 10 0 CHAERO C[C@@H]1CCCC[C@H]1[NH2+]CCOc1cc(F)ccc1F ZINC000071168955 176050103 /nfs/dbraw/zinc/05/01/03/176050103.db2.gz KNQBJYBOQVAZFN-BXUZGUMPSA-N 1 0 269.335 3.512 10 0 CHAERO Cc1ccccc1SCc1ccc(F)cc1C[NH3+] ZINC000071264525 176098155 /nfs/dbraw/zinc/09/81/55/176098155.db2.gz UYIOCRLVTOVBQP-UHFFFAOYSA-N 1 0 261.365 3.885 10 0 CHAERO Cc1ccc(SCc2ccc(F)cc2C(N)=[NH2+])cc1 ZINC000071268367 176102307 /nfs/dbraw/zinc/10/23/07/176102307.db2.gz OYYJXLBYSUOAFQ-UHFFFAOYSA-N 1 0 274.364 3.710 10 0 CHAERO C[C@@H](Cc1cccs1)NC1=[NH+]C2(CCCC2)CS1 ZINC000071271497 176104409 /nfs/dbraw/zinc/10/44/09/176104409.db2.gz MQHLTQYPNLNYOR-NSHDSACASA-N 1 0 280.462 3.684 10 0 CHAERO C[C@@H](Cc1cccs1)n1c(N)[nH+]c2ccc(F)cc21 ZINC000071271454 176104431 /nfs/dbraw/zinc/10/44/31/176104431.db2.gz KJHPLLVMJBSDPC-VIFPVBQESA-N 1 0 275.352 3.623 10 0 CHAERO C[NH2+]Cc1ccc(OC2CCCC2)c(C(F)(F)F)c1 ZINC000071398572 176151769 /nfs/dbraw/zinc/15/17/69/176151769.db2.gz JEADLOFWWDKTKX-UHFFFAOYSA-N 1 0 273.298 3.746 10 0 CHAERO CC(C)=CCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398373 176151902 /nfs/dbraw/zinc/15/19/02/176151902.db2.gz LUIWISHTYSRDQQ-UHFFFAOYSA-N 1 0 259.271 3.509 10 0 CHAERO C[C@@H]([NH3+])Cc1ccc(OC/C=C/Cl)c(C(F)(F)F)c1 ZINC000071399673 176152365 /nfs/dbraw/zinc/15/23/65/176152365.db2.gz NAVJDWJACSJQJW-OSOUNJMWSA-N 1 0 293.716 3.726 10 0 CHAERO COc1c(C)cc(Cl)cc1[C@H](C)CCCC[NH3+] ZINC000071577234 176205483 /nfs/dbraw/zinc/20/54/83/176205483.db2.gz LYVAMKIIXOXFHT-SNVBAGLBSA-N 1 0 255.789 3.890 10 0 CHAERO CCCCc1ccc([C@H]([C@@H](C)N)[NH+]2CCCC2)cc1 ZINC000071587073 176214484 /nfs/dbraw/zinc/21/44/84/176214484.db2.gz AVRPZTCMOASPCP-PBHICJAKSA-N 1 0 260.425 3.513 10 0 CHAERO COc1ccc(C(C)(C)C[NH2+]C2CC2)cc1C(C)C ZINC000071587872 176215756 /nfs/dbraw/zinc/21/57/56/176215756.db2.gz OSPUIOBRDDRBHT-UHFFFAOYSA-N 1 0 261.409 3.848 10 0 CHAERO CCOc1cc(C)c([C@@H](CC[NH3+])C2CC2)cc1Cl ZINC000071599476 176224727 /nfs/dbraw/zinc/22/47/27/176224727.db2.gz TXXMXIICGIRSIH-LBPRGKRZSA-N 1 0 267.800 3.890 10 0 CHAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@H]2c1ccccn1 ZINC000071650236 176240728 /nfs/dbraw/zinc/24/07/28/176240728.db2.gz YYUOSVYIGWMTMH-GOSISDBHSA-N 1 0 294.398 3.595 10 0 CHAERO C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357512 176376147 /nfs/dbraw/zinc/37/61/47/176376147.db2.gz BAFVYKRDRIOISR-KRWDZBQOSA-N 1 0 270.351 3.578 10 0 CHAERO CCOc1cc(C)c(CCC(C)(C)C[NH3+])cc1Cl ZINC000076405407 177019116 /nfs/dbraw/zinc/01/91/16/177019116.db2.gz RKDMVALXQKZRKZ-UHFFFAOYSA-N 1 0 269.816 3.965 10 0 CHAERO CC(C)[C@H]([NH3+])CSc1ccc(Br)cc1 ZINC000076420550 177023581 /nfs/dbraw/zinc/02/35/81/177023581.db2.gz RRAVRQPSXYRFQE-LLVKDONJSA-N 1 0 274.227 3.525 10 0 CHAERO CCCc1ccc([C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000076657608 177046487 /nfs/dbraw/zinc/04/64/87/177046487.db2.gz IMPMUQJPECZGKX-SFHVURJKSA-N 1 0 253.389 3.924 10 0 CHAERO CCCCc1ccc([C@@H](C[NH3+])c2cccnc2)cc1 ZINC000076658310 177046842 /nfs/dbraw/zinc/04/68/42/177046842.db2.gz LNLGLCSVZYAZSY-QGZVFWFLSA-N 1 0 254.377 3.515 10 0 CHAERO CCCc1ccc([C@H](CC[NH3+])c2cccnc2)cc1 ZINC000076658422 177047110 /nfs/dbraw/zinc/04/71/10/177047110.db2.gz DOMOLVADIQVPPA-KRWDZBQOSA-N 1 0 254.377 3.515 10 0 CHAERO CC(C)(C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000076661563 177049135 /nfs/dbraw/zinc/04/91/35/177049135.db2.gz IEJYWTIKLXBSNB-LLVKDONJSA-N 1 0 256.187 3.538 10 0 CHAERO CCCCN(CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000076671768 177054217 /nfs/dbraw/zinc/05/42/17/177054217.db2.gz JDCNHEFFELPSMR-UHFFFAOYSA-N 1 0 261.196 3.559 10 0 CHAERO CSc1ccc([C@H](C[NH3+])CCc2ccco2)cc1 ZINC000076673055 177054888 /nfs/dbraw/zinc/05/48/88/177054888.db2.gz CMHFBIBRYGKRMR-ZDUSSCGKSA-N 1 0 261.390 3.677 10 0 CHAERO CCOc1ccc([C@H](CC[NH3+])C2CCCC2)cc1F ZINC000076681705 177059025 /nfs/dbraw/zinc/05/90/25/177059025.db2.gz QXCQQAPQEBZMQO-CQSZACIVSA-N 1 0 265.372 3.847 10 0 CHAERO [NH3+]CC[C@H](CCc1ccc(Cl)cc1)c1cccnc1 ZINC000076722138 177070111 /nfs/dbraw/zinc/07/01/11/177070111.db2.gz FLQVMKCXFAYQSN-AWEZNQCLSA-N 1 0 274.795 3.800 10 0 CHAERO CC(C)Oc1ccc(-c2nc([C@@H](C)[NH3+])cs2)cc1 ZINC000076784680 177092438 /nfs/dbraw/zinc/09/24/38/177092438.db2.gz ZIODYRUAMPHPBL-SNVBAGLBSA-N 1 0 262.378 3.617 10 0 CHAERO C[C@@H]([NH3+])c1csc(-c2ccccc2C(F)(F)F)n1 ZINC000076784724 177092474 /nfs/dbraw/zinc/09/24/74/177092474.db2.gz HWTFHLUJIXWYAQ-SSDOTTSWSA-N 1 0 272.295 3.849 10 0 CHAERO C[C@H]([NH3+])c1csc(-c2ccccc2C(F)(F)F)n1 ZINC000076784722 177092500 /nfs/dbraw/zinc/09/25/00/177092500.db2.gz HWTFHLUJIXWYAQ-ZETCQYMHSA-N 1 0 272.295 3.849 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2c(C)oc(C)c2C)cc1C ZINC000077088677 177211999 /nfs/dbraw/zinc/21/19/99/177211999.db2.gz WZRAFHOACRBEPG-MRXNPFEDSA-N 1 0 259.349 3.570 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCCc2occc21 ZINC000192910313 227382598 /nfs/dbraw/zinc/38/25/98/227382598.db2.gz APNIRTZUFKKHCJ-RHSMWYFYSA-N 1 0 285.387 3.852 10 0 CHAERO [NH3+][C@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000037029121 260063457 /nfs/dbraw/zinc/06/34/57/260063457.db2.gz FUMXUTRZTHJINS-CYBMUJFWSA-N 1 0 292.741 3.508 10 0 CHAERO Cc1c([C@H](C)[NH2+]C2CC(c3cccc(C)c3)C2)cnn1C ZINC000037167869 260072903 /nfs/dbraw/zinc/07/29/03/260072903.db2.gz CBCBLAQXYBOUQW-IGEOTXOUSA-N 1 0 283.419 3.634 10 0 CHAERO CCCC[C@H](CC)C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037219621 260075312 /nfs/dbraw/zinc/07/53/12/260075312.db2.gz YFBJQFMMDBSJOZ-GOEBONIOSA-N 1 0 288.435 3.900 10 0 CHAERO CCOc1ccc2[nH]c(Nc3ccccc3)[nH+]c2c1 ZINC000026474147 260131080 /nfs/dbraw/zinc/13/10/80/260131080.db2.gz GGCQYTXSFGIAAX-UHFFFAOYSA-N 1 0 253.305 3.705 10 0 CHAERO Cc1cc(C)cc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070160 260151408 /nfs/dbraw/zinc/15/14/08/260151408.db2.gz YGUNHGRQPJXAKV-INIZCTEOSA-N 1 0 253.345 3.527 10 0 CHAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312600402 260173055 /nfs/dbraw/zinc/17/30/55/260173055.db2.gz KRMCYHKYFKNQFQ-WPRPVWTQSA-N 1 0 294.247 3.696 10 0 CHAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCN2C)cc1 ZINC000222692550 260231171 /nfs/dbraw/zinc/23/11/71/260231171.db2.gz AZYVWVNDZNJLTQ-WMLDXEAASA-N 1 0 260.425 3.555 10 0 CHAERO CCC1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000311551215 260252982 /nfs/dbraw/zinc/25/29/82/260252982.db2.gz ASJBEXIGVDNXFY-FIYWTHMPSA-N 1 0 279.346 3.655 10 0 CHAERO CCn1cccc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000091024995 260265047 /nfs/dbraw/zinc/26/50/47/260265047.db2.gz CQOXAQNBPBZBPS-OAHLLOKOSA-N 1 0 272.417 3.835 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)CC2 ZINC000092835877 260272641 /nfs/dbraw/zinc/27/26/41/260272641.db2.gz ASKUFKVGRXTRFO-LRDDRELGSA-N 1 0 271.360 3.935 10 0 CHAERO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1)c1cccs1 ZINC000049528964 260662841 /nfs/dbraw/zinc/66/28/41/260662841.db2.gz REMPEBYIIYWRJO-AWEZNQCLSA-N 1 0 289.400 3.776 10 0 CHAERO CC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)s2)c1 ZINC000051172577 260877895 /nfs/dbraw/zinc/87/78/95/260877895.db2.gz ZHJZEXJHKPDPDJ-UHFFFAOYSA-N 1 0 294.807 3.763 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C)c1C ZINC000300305198 261191471 /nfs/dbraw/zinc/19/14/71/261191471.db2.gz CHVXKHCUQXVQSJ-TYNCELHUSA-N 1 0 263.429 3.607 10 0 CHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)cc(C)c3)C2)c1 ZINC000106220013 261323602 /nfs/dbraw/zinc/32/36/02/261323602.db2.gz DCVWXFUOWRHKHY-SFHVURJKSA-N 1 0 283.419 3.645 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)COCc2ccccc2)o1 ZINC000178066522 261375738 /nfs/dbraw/zinc/37/57/38/261375738.db2.gz VYGMXBGBAYRGGF-UKRRQHHQSA-N 1 0 273.376 3.844 10 0 CHAERO COc1cccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)c1 ZINC000120423004 262194794 /nfs/dbraw/zinc/19/47/94/262194794.db2.gz BJYIBGHREVFTAS-BEFAXECRSA-N 1 0 298.430 3.649 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000390579549 262221727 /nfs/dbraw/zinc/22/17/27/262221727.db2.gz YHLXEHPJSKSPGE-JKSUJKDBSA-N 1 0 299.414 3.518 10 0 CHAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)COCc1ccccc1 ZINC000390579540 262221868 /nfs/dbraw/zinc/22/18/68/262221868.db2.gz YHLXEHPJSKSPGE-CVEARBPZSA-N 1 0 299.414 3.518 10 0 CHAERO Cc1cc(C)cc(C[NH2+][C@H](C)COCc2ccccc2)c1 ZINC000390585392 262223754 /nfs/dbraw/zinc/22/37/54/262223754.db2.gz LOIGQXATDFJADF-QGZVFWFLSA-N 1 0 283.415 3.998 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)C1CCCC1 ZINC000390601187 262226514 /nfs/dbraw/zinc/22/65/14/262226514.db2.gz XJXLISFJCIIABW-GJZGRUSLSA-N 1 0 261.409 3.760 10 0 CHAERO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228471392 262339158 /nfs/dbraw/zinc/33/91/58/262339158.db2.gz WGRMGIZYUSHIOQ-CGTJXYLNSA-N 1 0 286.463 3.543 10 0 CHAERO C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@H](C)CO ZINC000125415297 264007530 /nfs/dbraw/zinc/00/75/30/264007530.db2.gz ZRFQIUOAMPAGBS-NXEZZACHSA-N 1 0 298.308 3.682 10 0 CHAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cncs2)c2ccccc21 ZINC000132251513 264386711 /nfs/dbraw/zinc/38/67/11/264386711.db2.gz OQLZCTFQFKKMQT-IAQYHMDHSA-N 1 0 258.390 3.871 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000094826915 265260450 /nfs/dbraw/zinc/26/04/50/265260450.db2.gz IOUARYFPYTXHGQ-LRDDRELGSA-N 1 0 284.394 3.592 10 0 CHAERO CC(C)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114481588 266296648 /nfs/dbraw/zinc/29/66/48/266296648.db2.gz SHISKQRDDSNOGO-HNNXBMFYSA-N 1 0 269.392 3.665 10 0 CHAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116289997 267135914 /nfs/dbraw/zinc/13/59/14/267135914.db2.gz AOGSLNOOMPPPOV-OAHLLOKOSA-N 1 0 287.359 3.634 10 0 CHAERO CCCCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000117876216 267224265 /nfs/dbraw/zinc/22/42/65/267224265.db2.gz SPUNHQUMYCUUOH-ZDUSSCGKSA-N 1 0 252.427 3.821 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(Cl)nc1 ZINC000179095866 327799273 /nfs/dbraw/zinc/79/92/73/327799273.db2.gz YBSYGRSWJPPBFT-SMDDNHRTSA-N 1 0 288.778 3.909 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)C(C)C ZINC000040490998 327907626 /nfs/dbraw/zinc/90/76/26/327907626.db2.gz MXRMMKBSAOYOEM-TZMCWYRMSA-N 1 0 265.397 3.789 10 0 CHAERO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1ccnc2ccccc12 ZINC000111763485 328377120 /nfs/dbraw/zinc/37/71/20/328377120.db2.gz GHRIYECJRNAVPC-QGZVFWFLSA-N 1 0 278.355 3.995 10 0 CHAERO Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c2ccccc2n1 ZINC000172075650 335093673 /nfs/dbraw/zinc/09/36/73/335093673.db2.gz ZCRPDMRDFQKDGN-OALUTQOASA-N 1 0 296.414 3.687 10 0 CHAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037294812 326843646 /nfs/dbraw/zinc/84/36/46/326843646.db2.gz LQULHHWYGSWOBJ-FVQBIDKESA-N 1 0 286.419 3.653 10 0 CHAERO CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000037619870 326857493 /nfs/dbraw/zinc/85/74/93/326857493.db2.gz YTFXEILMUVFJJE-PBHICJAKSA-N 1 0 290.451 3.580 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCCOC1)c1c(Cl)ccc(F)c1Cl ZINC000109543514 326858419 /nfs/dbraw/zinc/85/84/19/326858419.db2.gz JEMHKUOHDASMNE-BDAKNGLRSA-N 1 0 292.181 3.962 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000252715706 327033489 /nfs/dbraw/zinc/03/34/89/327033489.db2.gz WLPFTEUBDPKWED-MKCWBWRRSA-N 1 0 256.176 3.979 10 0 CHAERO C[C@H]1C[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000381198332 327148293 /nfs/dbraw/zinc/14/82/93/327148293.db2.gz AOHBPMRGZUQVHT-TVQRCGJNSA-N 1 0 258.192 3.924 10 0 CHAERO CCCn1ccc(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000091009552 327165150 /nfs/dbraw/zinc/16/51/50/327165150.db2.gz NMSTTWAPJGNVRA-UHFFFAOYSA-N 1 0 276.811 3.884 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)Cc2ccccc2C)c1 ZINC000091012420 327165255 /nfs/dbraw/zinc/16/52/55/327165255.db2.gz BXBPJLVBFUWLCX-MRXNPFEDSA-N 1 0 270.420 3.927 10 0 CHAERO CCCCCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000051993681 328637425 /nfs/dbraw/zinc/63/74/25/328637425.db2.gz WUPIRTHFLVSGCZ-ZWKOTPCHSA-N 1 0 291.435 3.649 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000300410644 332814222 /nfs/dbraw/zinc/81/42/22/332814222.db2.gz JFGJFEKSDSONBE-DRRXZNNHSA-N 1 0 267.457 3.588 10 0 CHAERO CCCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000324642296 328763526 /nfs/dbraw/zinc/76/35/26/328763526.db2.gz XUWDXDYLODNSEU-HZPDHXFCSA-N 1 0 263.425 3.915 10 0 CHAERO Cc1csc(C2CC[NH+]([C@@H]3C=CCCC3)CC2)n1 ZINC000171735743 329079772 /nfs/dbraw/zinc/07/97/72/329079772.db2.gz KFMXUESIFWXBDD-CQSZACIVSA-N 1 0 262.422 3.740 10 0 CHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)c1 ZINC000172290245 329084474 /nfs/dbraw/zinc/08/44/74/329084474.db2.gz PKFOLQQNVGCWRY-IBGZPJMESA-N 1 0 295.430 3.517 10 0 CHAERO CCCCC[C@H](C)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000173030850 329142410 /nfs/dbraw/zinc/14/24/10/329142410.db2.gz CQUMESNIYWKXDN-INIZCTEOSA-N 1 0 294.483 3.680 10 0 CHAERO CCCCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000149374168 329169618 /nfs/dbraw/zinc/16/96/18/329169618.db2.gz KHEAGYFOPCVKNZ-VBQJREDUSA-N 1 0 261.409 3.857 10 0 CHAERO CC(C)c1csc([C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000179579125 329209873 /nfs/dbraw/zinc/20/98/73/329209873.db2.gz NPOSIDQXUPRQKQ-LBPRGKRZSA-N 1 0 264.438 3.998 10 0 CHAERO c1csc(C2=CC[N@H+](Cc3cccc4nccn43)CC2)c1 ZINC000180343312 329215355 /nfs/dbraw/zinc/21/53/55/329215355.db2.gz WDKGXOWPJWRIOR-UHFFFAOYSA-N 1 0 295.411 3.685 10 0 CHAERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccsc1 ZINC000180399911 329215791 /nfs/dbraw/zinc/21/57/91/329215791.db2.gz NJPAYMFBPMUEDG-SMDDNHRTSA-N 1 0 286.400 3.525 10 0 CHAERO CC(C)c1ccc([C@@H](C)[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000181650587 329235433 /nfs/dbraw/zinc/23/54/33/329235433.db2.gz DVJXDMUOKHWUTO-OAHLLOKOSA-N 1 0 298.434 3.800 10 0 CHAERO Cc1ccc(CNCc2ncc(-c3ccccc3)cn2)s1 ZINC000185876685 329334131 /nfs/dbraw/zinc/33/41/31/329334131.db2.gz SQNPGSURVACSNB-UHFFFAOYSA-N 1 0 295.411 3.803 10 0 CHAERO Fc1ccc(CNCc2ncc(-c3ccccc3)cn2)cc1 ZINC000185877803 329334155 /nfs/dbraw/zinc/33/41/55/329334155.db2.gz TXGAEIMKRLUOBQ-UHFFFAOYSA-N 1 0 293.345 3.573 10 0 CHAERO CC(C)COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038095860 329364289 /nfs/dbraw/zinc/36/42/89/329364289.db2.gz FWTXYURVMQPJCD-WBVHZDCISA-N 1 0 291.435 3.941 10 0 CHAERO Cc1cccc(N2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)n1 ZINC000189126813 329378024 /nfs/dbraw/zinc/37/80/24/329378024.db2.gz GQVCNLZQEICKGM-QGZVFWFLSA-N 1 0 299.462 3.671 10 0 CHAERO Cc1csc([C@H]2CCC[N@H+](Cc3cncc(C)c3)C2)n1 ZINC000189830857 329389465 /nfs/dbraw/zinc/38/94/65/329389465.db2.gz URVPLUNGJUVTEZ-HNNXBMFYSA-N 1 0 287.432 3.535 10 0 CHAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000191649639 329416226 /nfs/dbraw/zinc/41/62/26/329416226.db2.gz RQDWYLPIKIMVJF-LZWOXQAQSA-N 1 0 289.419 3.836 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC(C)(C)C)c1C ZINC000129616604 329619009 /nfs/dbraw/zinc/61/90/09/329619009.db2.gz BTRWKBICUBWEJI-LLVKDONJSA-N 1 0 251.418 3.607 10 0 CHAERO CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000048625082 329628297 /nfs/dbraw/zinc/62/82/97/329628297.db2.gz KRRBIKZEYBOOLZ-TVQRCGJNSA-N 1 0 274.191 3.681 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccs1 ZINC000245658471 329720750 /nfs/dbraw/zinc/72/07/50/329720750.db2.gz GIYXELDUFCIGTH-MXYBEHONSA-N 1 0 277.433 3.746 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000247015785 329874519 /nfs/dbraw/zinc/87/45/19/329874519.db2.gz MOOXBULDCJUJOV-JIMOISOXSA-N 1 0 251.757 3.552 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)s1 ZINC000247217139 329877696 /nfs/dbraw/zinc/87/76/96/329877696.db2.gz WEKLALCZBJVAED-FQUUOJAGSA-N 1 0 265.422 3.665 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(F)cc1F ZINC000247977576 329886758 /nfs/dbraw/zinc/88/67/58/329886758.db2.gz HZLOADVEIJTMIT-KNXALSJPSA-N 1 0 283.362 3.557 10 0 CHAERO Cc1cncc([C@H](C)[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000248738137 329897433 /nfs/dbraw/zinc/89/74/33/329897433.db2.gz QJCPHKZQZIHBIT-YFYLHZKVSA-N 1 0 278.399 3.627 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)C(C)(C)c1ccccc1 ZINC000248817985 329899854 /nfs/dbraw/zinc/89/98/54/329899854.db2.gz LDMNDAWZMUCQHH-JCGIZDLHSA-N 1 0 287.447 3.900 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](C3CC3)C1)[C@@H](C)C2 ZINC000248870555 329901171 /nfs/dbraw/zinc/90/11/71/329901171.db2.gz QNOKADMWIITOQE-UONJOCPKSA-N 1 0 285.431 3.776 10 0 CHAERO CO[C@@H]1CC[C@@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000249024505 329903701 /nfs/dbraw/zinc/90/37/01/329903701.db2.gz KRLHSJABCCYNOE-NFAWXSAZSA-N 1 0 293.382 3.585 10 0 CHAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OCC(C)C ZINC000032114234 330236489 /nfs/dbraw/zinc/23/64/89/330236489.db2.gz ITCBHMASINMNHB-UHFFFAOYSA-N 1 0 265.397 3.618 10 0 CHAERO CCCCc1ccc(NC(=O)C(CC)(CC)C[NH3+])cc1 ZINC000044762616 330332769 /nfs/dbraw/zinc/33/27/69/330332769.db2.gz FNZHUZTZZLHJIM-UHFFFAOYSA-N 1 0 276.424 3.733 10 0 CHAERO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(C)C)cc1 ZINC000045041542 330337339 /nfs/dbraw/zinc/33/73/39/330337339.db2.gz ZFOHTQQJRJLTFW-DLBZAZTESA-N 1 0 261.409 3.857 10 0 CHAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045686343 330348645 /nfs/dbraw/zinc/34/86/45/330348645.db2.gz PWCMYTRIUWXHNR-ZDUSSCGKSA-N 1 0 277.408 3.588 10 0 CHAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000119304701 330372550 /nfs/dbraw/zinc/37/25/50/330372550.db2.gz URPRSMCDQSNVPW-GJZGRUSLSA-N 1 0 298.430 3.795 10 0 CHAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccn2)c2ccccc21 ZINC000149237146 330574056 /nfs/dbraw/zinc/57/40/56/330574056.db2.gz SCFUGXSBKXZUAM-CXAGYDPISA-N 1 0 252.361 3.810 10 0 CHAERO COc1ccccc1C1CC([NH2+][C@@H](C)C2CCC2)C1 ZINC000165265470 331306086 /nfs/dbraw/zinc/30/60/86/331306086.db2.gz SAPQBLXKSVRKKX-GRTSSRMGSA-N 1 0 259.393 3.719 10 0 CHAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000466411856 331395752 /nfs/dbraw/zinc/39/57/52/331395752.db2.gz HNHIBHOFQKBTHE-SQNSNAQRSA-N 1 0 253.430 3.604 10 0 CHAERO Cc1cc(C)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000466423379 331396340 /nfs/dbraw/zinc/39/63/40/331396340.db2.gz CJMXZJYNGKPTDB-BJWYYQGGSA-N 1 0 275.436 3.905 10 0 CHAERO Cc1cc(C)c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000466423380 331396374 /nfs/dbraw/zinc/39/63/74/331396374.db2.gz CJMXZJYNGKPTDB-HOTGVXAUSA-N 1 0 275.436 3.905 10 0 CHAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000467439006 331419282 /nfs/dbraw/zinc/41/92/82/331419282.db2.gz JXNOGAGAEREPDB-UPJWGTAASA-N 1 0 289.410 3.994 10 0 CHAERO CC(C)CCC[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000467446136 331419792 /nfs/dbraw/zinc/41/97/92/331419792.db2.gz CXLWTJDGOZDMRF-KKUMJFAQSA-N 1 0 255.446 3.994 10 0 CHAERO C[C@@H]([NH2+]C1CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400371895 331547057 /nfs/dbraw/zinc/54/70/57/331547057.db2.gz UILKBYOMFJHJNU-ZIAGYGMSSA-N 1 0 296.455 3.554 10 0 CHAERO COc1ccc([C@H]([NH2+][C@H]2C[C@H]2C)c2ccccc2)cc1 ZINC000249880920 334341799 /nfs/dbraw/zinc/34/17/99/334341799.db2.gz NJRUKFLQLJEMRZ-JEBQAFNWSA-N 1 0 267.372 3.783 10 0 CHAERO Clc1ccc(CC[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000308463466 333032021 /nfs/dbraw/zinc/03/20/21/333032021.db2.gz UKTOMLJYVDAIAM-OAHLLOKOSA-N 1 0 273.763 3.606 10 0 CHAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1C[C@@H]1C ZINC000309556298 333045426 /nfs/dbraw/zinc/04/54/26/333045426.db2.gz JUQYWMFKCAYMGN-IGJMFERPSA-N 1 0 286.188 3.517 10 0 CHAERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C)cc1 ZINC000177411559 333058441 /nfs/dbraw/zinc/05/84/41/333058441.db2.gz QVAUBUDCZOXRGG-LSDHHAIUSA-N 1 0 290.451 3.716 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@@H+]([C@H]1C=CCCCCC1)CC2 ZINC000311332374 333067372 /nfs/dbraw/zinc/06/73/72/333067372.db2.gz IJTKRMVJOKLECI-ULQDDVLXSA-N 1 0 263.425 3.502 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cc(F)ccc1Cl)CC2 ZINC000218946464 333138927 /nfs/dbraw/zinc/13/89/27/333138927.db2.gz YBVZCZAEPKRSPB-BBRMVZONSA-N 1 0 297.801 3.606 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CCCCC2)C12CCOCC2 ZINC000186356533 333159195 /nfs/dbraw/zinc/15/91/95/333159195.db2.gz VEOMZYKEFLTDDX-USXIJHARSA-N 1 0 295.467 3.519 10 0 CHAERO CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)CC(C)C)C12CCOCC2 ZINC000186418134 333160514 /nfs/dbraw/zinc/16/05/14/333160514.db2.gz ZCYMPUPECZZIKR-CVEARBPZSA-N 1 0 297.483 3.623 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]C2CCC(C(C)C)CC2)o1 ZINC000220952999 333171238 /nfs/dbraw/zinc/17/12/38/333171238.db2.gz OPTGJENWLQLBPJ-HSBZDZAISA-N 1 0 250.386 3.848 10 0 CHAERO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2[NH3+] ZINC000253596801 333185798 /nfs/dbraw/zinc/18/57/98/333185798.db2.gz WDTAJXMIXADUTH-ZYPGRWQASA-N 1 0 291.479 3.717 10 0 CHAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1cncc(F)c1 ZINC000222834554 333200753 /nfs/dbraw/zinc/20/07/53/333200753.db2.gz OMHBYGSYBPSPQQ-JMABVSALSA-N 1 0 274.383 3.696 10 0 CHAERO CCOC1CC([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000224735954 333224900 /nfs/dbraw/zinc/22/49/00/333224900.db2.gz JBVFHUNTWFHQJR-UHFFFAOYSA-N 1 0 279.811 3.743 10 0 CHAERO Cc1cnn([C@H]2CCCN(Cc3cc(Cl)cs3)C2)c1 ZINC000194389199 333270402 /nfs/dbraw/zinc/27/04/02/333270402.db2.gz SGOWIMOLZPFSSO-ZDUSSCGKSA-N 1 0 295.839 3.744 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000250193410 333303349 /nfs/dbraw/zinc/30/33/49/333303349.db2.gz AOIHPTYWWVGULO-MPGHIAIKSA-N 1 0 272.436 3.699 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CCCCCSC)c1C ZINC000229583797 333306624 /nfs/dbraw/zinc/30/66/24/333306624.db2.gz VRVZGGSETQCXMC-LBPRGKRZSA-N 1 0 283.485 3.704 10 0 CHAERO Cc1cccc(C2CC([NH2+]CC(C)(C)CCCO)C2)c1 ZINC000230391077 333317128 /nfs/dbraw/zinc/31/71/28/333317128.db2.gz WBZPQKXKOJLYDL-UHFFFAOYSA-N 1 0 275.436 3.629 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC(C)(C)C1 ZINC000230662699 333320083 /nfs/dbraw/zinc/32/00/83/333320083.db2.gz LAEQCHCBEPWQGO-MCIONIFRSA-N 1 0 255.446 3.588 10 0 CHAERO OC[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000231293596 333324579 /nfs/dbraw/zinc/32/45/79/333324579.db2.gz LXGWXHIATOUIGL-GDBMZVCRSA-N 1 0 265.441 3.630 10 0 CHAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCCC1CCCC1 ZINC000231359645 333324793 /nfs/dbraw/zinc/32/47/93/333324793.db2.gz WVFQSADPBVOTTL-INIZCTEOSA-N 1 0 259.393 3.940 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000232728061 333341723 /nfs/dbraw/zinc/34/17/23/333341723.db2.gz DNHPELSKSLGVQB-MJBXVCDLSA-N 1 0 250.386 3.848 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+]Cc2cnn(C(C)C)c2)c1 ZINC000232785435 333342912 /nfs/dbraw/zinc/34/29/12/333342912.db2.gz VDYVRBZHFDIDME-CQSZACIVSA-N 1 0 257.381 3.623 10 0 CHAERO 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298.224 3.667 10 0 CHAERO Fc1ccccc1C1CC([NH2+][C@H]2COc3ccccc32)C1 ZINC000070528459 333814929 /nfs/dbraw/zinc/81/49/29/333814929.db2.gz NLQNBTKASIEKFV-FVKWTLKZSA-N 1 0 283.346 3.795 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)c1 ZINC000134117067 334080796 /nfs/dbraw/zinc/08/07/96/334080796.db2.gz OHSIRZZSUQTHAP-CHWSQXEVSA-N 1 0 258.340 3.941 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000135303997 334124715 /nfs/dbraw/zinc/12/47/15/334124715.db2.gz GUGKPSRGNKKUNE-HEHGZKQESA-N 1 0 261.409 3.812 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000080428958 334171476 /nfs/dbraw/zinc/17/14/76/334171476.db2.gz UHTLKYHMRUULGN-CABCVRRESA-N 1 0 253.430 3.894 10 0 CHAERO C[C@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)[C@H]1CCOC1 ZINC000245727497 334215483 /nfs/dbraw/zinc/21/54/83/334215483.db2.gz HCZQIICWIBGXER-QRTARXTBSA-N 1 0 273.420 3.715 10 0 CHAERO C[C@@H](C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000247224825 334277760 /nfs/dbraw/zinc/27/77/60/334277760.db2.gz VWDAEAPUTSBXBI-YOEHRIQHSA-N 1 0 269.392 3.740 10 0 CHAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000248202970 334297235 /nfs/dbraw/zinc/29/72/35/334297235.db2.gz ZGZJQSQUYCPKLA-ZVZYQTTQSA-N 1 0 291.435 3.676 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CC)C12CCOCC2 ZINC000248905232 334321521 /nfs/dbraw/zinc/32/15/21/334321521.db2.gz BAJJPLIIBVYUEY-VVLHAWIVSA-N 1 0 295.467 3.519 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccccc1 ZINC000249077502 334326670 /nfs/dbraw/zinc/32/66/70/334326670.db2.gz LZGGQQAVBSBZRG-YVWKXTFCSA-N 1 0 295.426 3.835 10 0 CHAERO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000249093547 334327387 /nfs/dbraw/zinc/32/73/87/334327387.db2.gz NYTAMOHMUCQGHC-XIRDDKMYSA-N 1 0 273.424 3.549 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000249612940 334338154 /nfs/dbraw/zinc/33/81/54/334338154.db2.gz HEAVZBNUVITJCC-MNOVXSKESA-N 1 0 272.845 3.536 10 0 CHAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(Br)c1 ZINC000251256890 334359000 /nfs/dbraw/zinc/35/90/00/334359000.db2.gz NHTSHQVLCGRYMS-JIMOISOXSA-N 1 0 268.198 3.898 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000252099767 334373718 /nfs/dbraw/zinc/37/37/18/334373718.db2.gz IFRRAZSGIDQXJB-VDERGJSUSA-N 1 0 259.393 3.925 10 0 CHAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(-c2ccccc2)cc1 ZINC000091416066 334378107 /nfs/dbraw/zinc/37/81/07/334378107.db2.gz NYOQSCAZRGIEBQ-XVTSOASTSA-N 1 0 281.399 3.775 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1C ZINC000252368294 334378630 /nfs/dbraw/zinc/37/86/30/334378630.db2.gz MXNAFQXYUBPLKA-YQQAZPJKSA-N 1 0 261.409 3.830 10 0 CHAERO Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000252416864 334379351 /nfs/dbraw/zinc/37/93/51/334379351.db2.gz TWKLXYWFIMDTPL-ISTRZQFTSA-N 1 0 277.456 3.587 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000252725592 334386700 /nfs/dbraw/zinc/38/67/00/334386700.db2.gz UWAGRUXSUKPGNX-MKCWBWRRSA-N 1 0 284.172 3.574 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1F ZINC000252847148 334396629 /nfs/dbraw/zinc/39/66/29/334396629.db2.gz DAEUGAHWQKDZQQ-ARFHVFGLSA-N 1 0 265.372 3.560 10 0 CHAERO C[C@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c2ccsc2S1 ZINC000268869353 334717741 /nfs/dbraw/zinc/71/77/41/334717741.db2.gz IISWCORYOCJJDC-WCQGTBRESA-N 1 0 285.478 3.670 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cc(C)cs2)c1C ZINC000344614169 335259484 /nfs/dbraw/zinc/25/94/84/335259484.db2.gz QINBQRCPTIOIFA-LLVKDONJSA-N 1 0 277.437 3.741 10 0 CHAERO CCN1CC[C@H]([NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000381081568 336049350 /nfs/dbraw/zinc/04/93/50/336049350.db2.gz UUZKENAJTUVPEK-GOEBONIOSA-N 1 0 278.465 3.663 10 0 CHAERO Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1C[C@@H]1C)CC2 ZINC000381509571 336066897 /nfs/dbraw/zinc/06/68/97/336066897.db2.gz QSRVQDNXKNTEEM-CKLFPEKLSA-N 1 0 280.209 3.743 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H]1C=CCCCCC1 ZINC000383499406 336110953 /nfs/dbraw/zinc/11/09/53/336110953.db2.gz ZMYJGFCJGAZNSI-ZJPYXAASSA-N 1 0 277.452 3.891 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCC1=CCCCC1)CC2 ZINC000385153863 336141062 /nfs/dbraw/zinc/14/10/62/336141062.db2.gz KNBPWNDBUOCKCZ-IAGOWNOFSA-N 1 0 263.425 3.504 10 0 CHAERO CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000385732463 336155413 /nfs/dbraw/zinc/15/54/13/336155413.db2.gz ASRFLTZCAMCWOK-UONOGXRCSA-N 1 0 255.446 3.590 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@@]1(C)c1cccc(Cl)c1 ZINC000054598249 519745371 /nfs/dbraw/zinc/74/53/71/519745371.db2.gz DVLHVKZKENCNQY-ZFWWWQNUSA-N 1 0 251.801 3.863 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccccc1Cl ZINC000049195608 519814863 /nfs/dbraw/zinc/81/48/63/519814863.db2.gz CBLWCSKXTABELY-DOMZBBRYSA-N 1 0 268.832 3.577 10 0 CHAERO CCCCCCOCc1csc(C[NH2+]CCC)n1 ZINC000052631031 520101077 /nfs/dbraw/zinc/10/10/77/520101077.db2.gz NRDSFJGDGYCSSQ-UHFFFAOYSA-N 1 0 270.442 3.740 10 0 CHAERO CCCCCN(C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052454567 520151139 /nfs/dbraw/zinc/15/11/39/520151139.db2.gz KJEMQQJVDAXZRA-UHFFFAOYSA-N 1 0 283.485 3.511 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@H](CC)n1ncc2ccccc21 ZINC000050524738 521157551 /nfs/dbraw/zinc/15/75/51/521157551.db2.gz GEKCGXKGUZCLRQ-GJZGRUSLSA-N 1 0 259.397 3.766 10 0 CHAERO C[NH2+]CC1(c2ccc(F)cc2Cl)CCCCC1 ZINC000062608930 521970932 /nfs/dbraw/zinc/97/09/32/521970932.db2.gz DVYQLSSBRARCAB-UHFFFAOYSA-N 1 0 255.764 3.900 10 0 CHAERO CC[C@H](C[NH2+]C(C)(C)C)N1CCc2sccc2[C@@H]1C ZINC000052505280 522189210 /nfs/dbraw/zinc/18/92/10/522189210.db2.gz HTTFGNBRRVORRO-QWHCGFSZSA-N 1 0 280.481 3.834 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1F)c1cccc(F)c1 ZINC000050885898 522359664 /nfs/dbraw/zinc/35/96/64/522359664.db2.gz UQOOWZFFYAFTCL-HNNXBMFYSA-N 1 0 265.278 3.607 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc2c(c1)CCO2 ZINC000050892140 522366989 /nfs/dbraw/zinc/36/69/89/522366989.db2.gz IDHJPBZNZUEVSA-CQSZACIVSA-N 1 0 279.792 3.645 10 0 CHAERO CC(C)CCN(C)c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2 ZINC000054898480 519651394 /nfs/dbraw/zinc/65/13/94/519651394.db2.gz HOWSIFFUAGHUJO-LLVKDONJSA-N 1 0 281.469 3.598 10 0 CHAERO CC(C)CCO[C@@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050493351 519671238 /nfs/dbraw/zinc/67/12/38/519671238.db2.gz JLFVGJJXSIXTFD-INIZCTEOSA-N 1 0 267.388 3.928 10 0 CHAERO CC(C)N1C[C@H](c2ccccc2)[NH2+]Cc2ccccc21 ZINC000062662950 519697432 /nfs/dbraw/zinc/69/74/32/519697432.db2.gz FKPBONZBCSNGRA-QGZVFWFLSA-N 1 0 266.388 3.746 10 0 CHAERO CC(C)C[NH+](CC(C)C)[C@@H](C)CNCc1cccs1 ZINC000053494329 519713796 /nfs/dbraw/zinc/71/37/96/519713796.db2.gz UMNDVFRVIRRINN-HNNXBMFYSA-N 1 0 282.497 3.840 10 0 CHAERO CC(C)[NH2+]CCCc1cc(Br)ccc1F ZINC000052949254 519721581 /nfs/dbraw/zinc/72/15/81/519721581.db2.gz BEXTVGXNUNTBEU-UHFFFAOYSA-N 1 0 274.177 3.519 10 0 CHAERO CC(C)C[NH2+]CCC[C@H](C)O[C@H]1CCC[C@H](C)C1 ZINC000052632056 519743724 /nfs/dbraw/zinc/74/37/24/519743724.db2.gz LAOQGQZLYBGGQO-JYJNAYRXSA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@]1(C)c1ccccc1Br ZINC000054598112 519746837 /nfs/dbraw/zinc/74/68/37/519746837.db2.gz DNYIWEPISIBRIF-DOMZBBRYSA-N 1 0 296.252 3.972 10 0 CHAERO CC(C)C[NH2+]C[C@]1(CCOC(C)C)C[C@H]2CC[C@@H]1C2 ZINC000054639260 519746791 /nfs/dbraw/zinc/74/67/91/519746791.db2.gz BVWRXKNHRWUPIS-BBWFWOEESA-N 1 0 267.457 3.854 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000049196886 519793698 /nfs/dbraw/zinc/79/36/98/519793698.db2.gz AVDWUHBTPISYKB-CYBMUJFWSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@@H](C[NH2+]C1CC1)N(Cc1cccs1)C(C)C ZINC000052544906 519794775 /nfs/dbraw/zinc/79/47/75/519794775.db2.gz PGVSEDJMQOBWLQ-MRXNPFEDSA-N 1 0 280.481 3.735 10 0 CHAERO CC(C)[C@H]([NH3+])c1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000054556844 519817914 /nfs/dbraw/zinc/81/79/14/519817914.db2.gz FIHWUUOEKCBLHZ-MFKMUULPSA-N 1 0 252.427 3.560 10 0 CHAERO CC(C)[C@H]1CCC(=O)[C@H](C[N@H+](C)C2CCCCC2)C1 ZINC000054558910 519824559 /nfs/dbraw/zinc/82/45/59/519824559.db2.gz WGQIKSKJRUTBNP-GJZGRUSLSA-N 1 0 265.441 3.892 10 0 CHAERO CC(C)[C@H]1CN(Cc2cccc(Cl)c2)[C@@H](C(C)C)C[NH2+]1 ZINC000062708907 519826928 /nfs/dbraw/zinc/82/69/28/519826928.db2.gz SWNZTZRSZJEQEM-IAGOWNOFSA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1Cc1cccc(Cl)c1 ZINC000062671500 519827137 /nfs/dbraw/zinc/82/71/37/519827137.db2.gz QEKLKDXDTSSSGW-OAHLLOKOSA-N 1 0 280.843 3.548 10 0 CHAERO CC(C)c1ccc(Sc2ccnc(C[NH3+])c2)cc1 ZINC000061812284 519838962 /nfs/dbraw/zinc/83/89/62/519838962.db2.gz RAVXUEZNVUZKFM-UHFFFAOYSA-N 1 0 258.390 3.815 10 0 CHAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000049138017 519839180 /nfs/dbraw/zinc/83/91/80/519839180.db2.gz GWACWQBGTSNBMC-CQSZACIVSA-N 1 0 256.393 3.999 10 0 CHAERO CCCC1CCN([C@H](c2ccsc2)[C@@H](C)[NH3+])CC1 ZINC000050893031 519903205 /nfs/dbraw/zinc/90/32/05/519903205.db2.gz JFVQVPDFYQRLSO-DOMZBBRYSA-N 1 0 266.454 3.649 10 0 CHAERO CCC[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000053738904 519911151 /nfs/dbraw/zinc/91/11/51/519911151.db2.gz KPYFEFQLDLLOLX-UHFFFAOYSA-N 1 0 257.299 3.737 10 0 CHAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(Cl)cc1 ZINC000054601324 519911312 /nfs/dbraw/zinc/91/13/12/519911312.db2.gz OQMJXOKSHBMNDO-VHRNVKJDSA-N 1 0 278.827 3.839 10 0 CHAERO CC[NH2+]CC1(CCOCC(F)(F)F)CCCCC1 ZINC000054654887 519911964 /nfs/dbraw/zinc/91/19/64/519911964.db2.gz WJQFPOJHWHEABS-UHFFFAOYSA-N 1 0 267.335 3.515 10 0 CHAERO CC[NH2+]CC1(O[C@H]2CCCC[C@H]2CC)CCCC1 ZINC000050491766 519913718 /nfs/dbraw/zinc/91/37/18/519913718.db2.gz KFGRBISPBRXMCL-CABCVRRESA-N 1 0 253.430 3.894 10 0 CHAERO CC[NH2+]CCC[C@H](C)Oc1ccc(C)cc1Cl ZINC000054353123 519920348 /nfs/dbraw/zinc/92/03/48/519920348.db2.gz SHXOLLVZHVAMBG-LBPRGKRZSA-N 1 0 255.789 3.805 10 0 CHAERO CCC[NH2+]C[C@@H](CCCOC)Cc1cccc(Cl)c1 ZINC000052977712 519921334 /nfs/dbraw/zinc/92/13/34/519921334.db2.gz XIQQEZSGBZEOGQ-HNNXBMFYSA-N 1 0 283.843 3.925 10 0 CHAERO CCC[NH2+]C[C@@H](O)c1ccc(C2CCCCC2)cc1 ZINC000049849689 519922096 /nfs/dbraw/zinc/92/20/96/519922096.db2.gz NOTUMVWKMQKUPZ-QGZVFWFLSA-N 1 0 261.409 3.767 10 0 CHAERO CCC[NH2+]C[C@@H]1CCN(c2cccc3ccccc32)C1 ZINC000053010615 519923680 /nfs/dbraw/zinc/92/36/80/519923680.db2.gz ACTWXIVFIGYONN-HNNXBMFYSA-N 1 0 268.404 3.666 10 0 CHAERO CCC[NH2+]C[C@H](CCCOCC(F)(F)F)C(C)C ZINC000052972070 519933458 /nfs/dbraw/zinc/93/34/58/519933458.db2.gz VRGKXAIEYLQKHB-LBPRGKRZSA-N 1 0 269.351 3.617 10 0 CHAERO CCC[NH2+]C[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000053010485 519937085 /nfs/dbraw/zinc/93/70/85/519937085.db2.gz JYMHHWWYNMAYFU-LLVKDONJSA-N 1 0 287.234 3.819 10 0 CHAERO CC[NH2+]C[C@@H](OC(C)(C)C)c1ccccc1Cl ZINC000050483845 519946599 /nfs/dbraw/zinc/94/65/99/519946599.db2.gz HUTDXOFHEMLAEH-CYBMUJFWSA-N 1 0 255.789 3.806 10 0 CHAERO CC[NH2+]C[C@@H](O[C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000050488943 519949560 /nfs/dbraw/zinc/94/95/60/519949560.db2.gz TWGBBMCCQXZICX-XJKSGUPXSA-N 1 0 267.388 3.928 10 0 CHAERO CCC[NH2+][C@@H](CCCCOCC(F)(F)F)C(C)C ZINC000049312810 519993533 /nfs/dbraw/zinc/99/35/33/519993533.db2.gz UNVINUSOAARREF-LBPRGKRZSA-N 1 0 269.351 3.760 10 0 CHAERO CC[NH2+]Cc1ccc(CO[C@@H]2CCC[C@H](C)C2)cc1 ZINC000052632095 519998340 /nfs/dbraw/zinc/99/83/40/519998340.db2.gz NRLFOUHJBNIKAP-WMLDXEAASA-N 1 0 261.409 3.891 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccc(CC)s1)C[C@H]1CCCO1 ZINC000053824552 520013951 /nfs/dbraw/zinc/01/39/51/520013951.db2.gz YMFBBDSPTIUNCP-ZIAGYGMSSA-N 1 0 281.465 3.790 10 0 CHAERO CCC[NH2+][C@@H]1CCCOc2c(C)cc(Br)cc21 ZINC000063061416 520020347 /nfs/dbraw/zinc/02/03/47/520020347.db2.gz TXESQODIHJQNDF-CYBMUJFWSA-N 1 0 298.224 3.971 10 0 CHAERO CCC[NH2+][C@@H]1CCCCC[C@H]1c1cncc(F)c1 ZINC000060717277 520020893 /nfs/dbraw/zinc/02/08/93/520020893.db2.gz YCBHHIWFUKYOIQ-LSDHHAIUSA-N 1 0 250.361 3.637 10 0 CHAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[C@@H]1CCCO1 ZINC000054631076 520027084 /nfs/dbraw/zinc/02/70/84/520027084.db2.gz DFKBTTMFZFLEBV-VVLHAWIVSA-N 1 0 267.457 3.996 10 0 CHAERO CCC[NH2+][C@H](CC)c1c(C)nn(CCC(C)C)c1C ZINC000054718982 520070293 /nfs/dbraw/zinc/07/02/93/520070293.db2.gz JFZLNPWLCBNDIC-OAHLLOKOSA-N 1 0 265.445 3.997 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(-n2cc(Cl)cn2)c(Cl)c1 ZINC000061698393 520074890 /nfs/dbraw/zinc/07/48/90/520074890.db2.gz HNVWEZWDFPEOPO-VIFPVBQESA-N 1 0 284.190 3.850 10 0 CHAERO CCCCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000062625631 520079195 /nfs/dbraw/zinc/07/91/95/520079195.db2.gz BMSZKFPSYGMEHF-HZPDHXFCSA-N 1 0 254.462 3.521 10 0 CHAERO CC[NH2+][C@@H](C)c1cnc(-c2cc(F)cc(F)c2)s1 ZINC000054159794 520079404 /nfs/dbraw/zinc/07/94/04/520079404.db2.gz VDAKHJULQZQPGZ-QMMMGPOBSA-N 1 0 268.332 3.759 10 0 CHAERO CC[NH2+][C@@H](CCCCOCC(F)(F)F)C(C)(C)C ZINC000049312796 520083328 /nfs/dbraw/zinc/08/33/28/520083328.db2.gz OXOIIZJVZCBYIT-NSHDSACASA-N 1 0 269.351 3.760 10 0 CHAERO CCC[NH2+][C@H](c1cncc(F)c1)c1ccccc1Cl ZINC000050438858 520090173 /nfs/dbraw/zinc/09/01/73/520090173.db2.gz MQLOWIHLCFMAKI-OAHLLOKOSA-N 1 0 278.758 3.963 10 0 CHAERO CCC[NH2+][C@H]1CCCc2c(Br)cc(OC)cc21 ZINC000054742227 520094084 /nfs/dbraw/zinc/09/40/84/520094084.db2.gz AAFDJYUXGICRGK-AWEZNQCLSA-N 1 0 298.224 3.835 10 0 CHAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC000050961917 520109984 /nfs/dbraw/zinc/10/99/84/520109984.db2.gz WYQLKIZQVIFHRG-KBPBESRZSA-N 1 0 253.773 3.560 10 0 CHAERO CC[NH2+][C@@H](c1cncc(F)c1)c1ccc(Cl)cc1F ZINC000062786438 520113312 /nfs/dbraw/zinc/11/33/12/520113312.db2.gz FDPJOJXTCOYWJS-AWEZNQCLSA-N 1 0 282.721 3.712 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc2ncccc2c1 ZINC000061414458 520113900 /nfs/dbraw/zinc/11/39/00/520113900.db2.gz MLLACYRXUIWYAP-MRXNPFEDSA-N 1 0 268.385 3.995 10 0 CHAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000055265438 520117067 /nfs/dbraw/zinc/11/70/67/520117067.db2.gz VGSNWCHVCRMNOG-UKRRQHHQSA-N 1 0 265.372 3.860 10 0 CHAERO CCCCCC[C@@H](C)[NH2+]CCCOCC(F)(F)F ZINC000049312466 520118622 /nfs/dbraw/zinc/11/86/22/520118622.db2.gz OPDDYGCLSXULPN-GFCCVEGCSA-N 1 0 269.351 3.904 10 0 CHAERO CC[NH2+][C@@H]1CCCC[C@H]1c1cc(Cl)ccc1OC ZINC000055231540 520119219 /nfs/dbraw/zinc/11/92/19/520119219.db2.gz HFJKFRWAVXFXMQ-GXTWGEPZSA-N 1 0 267.800 3.984 10 0 CHAERO CCCNc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)cn1 ZINC000050814927 520153812 /nfs/dbraw/zinc/15/38/12/520153812.db2.gz VZTBCYIPPBJYPU-CYBMUJFWSA-N 1 0 263.429 3.770 10 0 CHAERO CCCNc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2C)n1 ZINC000061630655 520162343 /nfs/dbraw/zinc/16/23/43/520162343.db2.gz NOHNZZMPPYBPFU-GFCCVEGCSA-N 1 0 281.831 3.931 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(F)cc1OC1CCCC1 ZINC000062747143 520177568 /nfs/dbraw/zinc/17/75/68/520177568.db2.gz IQYFECBSHUTMDR-LLVKDONJSA-N 1 0 251.345 3.818 10 0 CHAERO CCCCCN(c1nc(CC)c(C[NH2+]C)s1)C(C)C ZINC000055000699 520177583 /nfs/dbraw/zinc/17/75/83/520177583.db2.gz DEPFNKCLHCQXEA-UHFFFAOYSA-N 1 0 283.485 3.830 10 0 CHAERO CCCNc1ncccc1C[NH+]1CCC(CC)CC1 ZINC000052730672 520196706 /nfs/dbraw/zinc/19/67/06/520196706.db2.gz KYFBQQXYJPTIRO-UHFFFAOYSA-N 1 0 261.413 3.526 10 0 CHAERO CC[NH2+][C@H](c1ccc(F)cc1)c1ccc(F)cc1C ZINC000055205284 520208353 /nfs/dbraw/zinc/20/83/53/520208353.db2.gz SHMXJMLNXIULNR-MRXNPFEDSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@H]1CCN(c2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000049711941 520217129 /nfs/dbraw/zinc/21/71/29/520217129.db2.gz HWVDPEOELVPFFZ-OLZOCXBDSA-N 1 0 266.816 3.615 10 0 CHAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1Oc1cc(F)cc(F)c1 ZINC000054932701 520218408 /nfs/dbraw/zinc/21/84/08/520218408.db2.gz BCKWVGIMFXKCHP-ONERCXAPSA-N 1 0 269.335 3.510 10 0 CHAERO CCN(C)c1nc(C(C)(C)C)c(C[NH2+]CC(C)C)s1 ZINC000054996345 520290938 /nfs/dbraw/zinc/29/09/38/520290938.db2.gz DQVCWTHCYPQYCL-UHFFFAOYSA-N 1 0 283.485 3.642 10 0 CHAERO CCNc1ccc(Cl)c(C[N@H+](C)CC(C)(C)C)n1 ZINC000061638738 520306966 /nfs/dbraw/zinc/30/69/66/520306966.db2.gz SVZOTTFQNROFMN-UHFFFAOYSA-N 1 0 269.820 3.645 10 0 CHAERO CCN(CC(C)(C)C[NH2+]C(C)C)c1ccc(C)cc1 ZINC000051252541 520396163 /nfs/dbraw/zinc/39/61/63/520396163.db2.gz UNJASGLAJYBEFN-UHFFFAOYSA-N 1 0 262.441 3.846 10 0 CHAERO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000019957734 520413643 /nfs/dbraw/zinc/41/36/43/520413643.db2.gz URGPFPHINCKLTQ-CQSZACIVSA-N 1 0 270.376 3.721 10 0 CHAERO CC1(C)C[N@@H+](C2CCCCC2)[C@H](Cc2ccccc2)CN1 ZINC000062673055 520463514 /nfs/dbraw/zinc/46/35/14/520463514.db2.gz NGFBLZCFPYWECF-GOSISDBHSA-N 1 0 286.463 3.614 10 0 CHAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+][C@@H]1CCCSC1)C2 ZINC000061575109 520685335 /nfs/dbraw/zinc/68/53/35/520685335.db2.gz AKRWGXCZVUWLMU-KYEXWDHISA-N 1 0 253.455 3.686 10 0 CHAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)N1Cc2ccccc2C1 ZINC000050911069 520772135 /nfs/dbraw/zinc/77/21/35/520772135.db2.gz FGOWAZPUXVFHLW-IAGOWNOFSA-N 1 0 260.425 3.559 10 0 CHAERO CCCCOCC[C@@H](C[NH2+]CC)Cc1ccccc1 ZINC000052952743 520794459 /nfs/dbraw/zinc/79/44/59/520794459.db2.gz VQZHFHZBBYLEDZ-QGZVFWFLSA-N 1 0 263.425 3.662 10 0 CHAERO CCCC[C@@H](C)[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000050887389 521008430 /nfs/dbraw/zinc/00/84/30/521008430.db2.gz PIOPCILJGVCVNT-SNVBAGLBSA-N 1 0 265.426 3.681 10 0 CHAERO CCC[C@H](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000061674490 521018138 /nfs/dbraw/zinc/01/81/38/521018138.db2.gz QEHSGKRYMCKVGH-AWEZNQCLSA-N 1 0 255.446 3.998 10 0 CHAERO CCCC[C@@H](CC)Cn1nc(C)c(C[C@H](C)[NH3+])c1C ZINC000054741127 521037092 /nfs/dbraw/zinc/03/70/92/521037092.db2.gz NNQWUQHMMFKFDA-SWLSCSKDSA-N 1 0 265.445 3.606 10 0 CHAERO CCCC[C@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000050887270 521148965 /nfs/dbraw/zinc/14/89/65/521148965.db2.gz DBIJDCFWNKSRBO-NSHDSACASA-N 1 0 283.799 3.780 10 0 CHAERO CCCCc1ccc([C@H]([NH2+]C)[C@H]2CCCCO2)cc1 ZINC000050961556 521287646 /nfs/dbraw/zinc/28/76/46/521287646.db2.gz NUKILIQZUSSJHD-SJORKVTESA-N 1 0 261.409 3.859 10 0 CHAERO CC[N@@H+](Cc1nc2sccc2c(Cl)n1)CC(C)C ZINC000050839934 521456772 /nfs/dbraw/zinc/45/67/72/521456772.db2.gz UWUJWCWJOKAZMQ-UHFFFAOYSA-N 1 0 283.828 3.823 10 0 CHAERO CCC(CC)(c1ccccc1)[C@H](CCCOC)[NH2+]C ZINC000062783908 521479690 /nfs/dbraw/zinc/47/96/90/521479690.db2.gz IIKPWFDERWKZMM-INIZCTEOSA-N 1 0 263.425 3.759 10 0 CHAERO CCCc1nc(N(CC(C)C)C(C)C)sc1C[NH2+]C ZINC000055001708 521529449 /nfs/dbraw/zinc/52/94/49/521529449.db2.gz IFHRSOSABZDSCU-UHFFFAOYSA-N 1 0 283.485 3.686 10 0 CHAERO CCC[N@H+](CC)[C@H](CN)c1csc2ccccc21 ZINC000054464015 521614850 /nfs/dbraw/zinc/61/48/50/521614850.db2.gz XYCHXYUPRNCMGB-CQSZACIVSA-N 1 0 262.422 3.633 10 0 CHAERO CCC[NH+](CCC)CCNc1ccccc1Cl ZINC000053344825 521647224 /nfs/dbraw/zinc/64/72/24/521647224.db2.gz LWVWQAHRPTUHQS-UHFFFAOYSA-N 1 0 254.805 3.874 10 0 CHAERO CC[C@H](C)OCc1cc(C[NH2+]CC(C)C)oc1C ZINC000052669282 521754939 /nfs/dbraw/zinc/75/49/39/521754939.db2.gz XQCLMXGSNULZKK-LBPRGKRZSA-N 1 0 253.386 3.649 10 0 CHAERO C[NH2+]C[C@H](OC1CCCC1)c1ccc(Cl)cc1 ZINC000050487401 522075573 /nfs/dbraw/zinc/07/55/73/522075573.db2.gz WPXKYMXGZBOMOI-AWEZNQCLSA-N 1 0 253.773 3.560 10 0 CHAERO CC[C@H](C[NH2+]C1CC1)Cc1ccc(F)cc1Cl ZINC000052973794 522191699 /nfs/dbraw/zinc/19/16/99/522191699.db2.gz UASIFKUPENGDAW-JTQLQIEISA-N 1 0 255.764 3.800 10 0 CHAERO CC[C@H](C[NH2+]CC(C)C)N(C)Cc1ccc(Cl)cc1 ZINC000052346305 522193786 /nfs/dbraw/zinc/19/37/86/522193786.db2.gz TWKWYBFDWQCYMH-MRXNPFEDSA-N 1 0 282.859 3.796 10 0 CHAERO C[NH2+][C@@H](CC1CC1)c1ccc2cc(OC)ccc2c1 ZINC000049955807 522343554 /nfs/dbraw/zinc/34/35/54/522343554.db2.gz FWSUNVYSMIFEKX-KRWDZBQOSA-N 1 0 255.361 3.909 10 0 CHAERO C[NH2+][C@@H](Cc1csc(CC(C)C)n1)c1ccccc1 ZINC000051965978 522364861 /nfs/dbraw/zinc/36/48/61/522364861.db2.gz FAMTYBFJIWPRSZ-HNNXBMFYSA-N 1 0 274.433 3.845 10 0 CHAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCCO1 ZINC000050961739 522365861 /nfs/dbraw/zinc/36/58/61/522365861.db2.gz ANQVGJOLCXCKKJ-STQMWFEESA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)cc1)c1ccc(F)c(Cl)c1 ZINC000062792341 522369200 /nfs/dbraw/zinc/36/92/00/522369200.db2.gz XIMKCQYZMBPRLD-HNNXBMFYSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@H](C)c1cnc(C2(c3ccccc3)CCC2)s1 ZINC000062782016 522453529 /nfs/dbraw/zinc/45/35/29/522453529.db2.gz OJXSUBFEQFZSAI-GFCCVEGCSA-N 1 0 272.417 3.894 10 0 CHAERO C[NH2+][C@H](C[C@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223494 522470973 /nfs/dbraw/zinc/47/09/73/522470973.db2.gz RKABYINZNUTEAQ-BXKDBHETSA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@H](Cc1nc(C)cs1)c1cccc(Cl)c1 ZINC000055268323 522476072 /nfs/dbraw/zinc/47/60/72/522476072.db2.gz PXHIDFQNGKWQDI-GFCCVEGCSA-N 1 0 266.797 3.608 10 0 CHAERO C[NH2+][C@H](c1c(C)c(C)cc(C)c1C)C1CCOCC1 ZINC000061671669 522477311 /nfs/dbraw/zinc/47/73/11/522477311.db2.gz DTFYVZQLOGCYKW-KRWDZBQOSA-N 1 0 261.409 3.607 10 0 CHAERO CCc1nc2ccccc2n1[C@H](C)C[NH2+][C@H](C)CC ZINC000062808119 522506981 /nfs/dbraw/zinc/50/69/81/522506981.db2.gz JKIUIGDFXQSPQU-CHWSQXEVSA-N 1 0 259.397 3.548 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](SC1CCCC1)c1ccccn1 ZINC000062829568 522647064 /nfs/dbraw/zinc/64/70/64/522647064.db2.gz PZNIVVOFOADLCR-TZMCWYRMSA-N 1 0 250.411 3.536 10 0 CHAERO CC[C@H]([NH2+]Cc1ccccc1OC)c1cccs1 ZINC000020087210 522654760 /nfs/dbraw/zinc/65/47/60/522654760.db2.gz RFJMWJQLVKPWPI-ZDUSSCGKSA-N 1 0 261.390 3.998 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000049127481 522694533 /nfs/dbraw/zinc/69/45/33/522694533.db2.gz OBXZMYOWTMXHIA-JSGCOSHPSA-N 1 0 295.423 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263.425 3.935 10 0 CHAERO NC(=S)C[C@H](c1ccccc1)[NH+]1CCCCCCC1 ZINC000055024560 527108786 /nfs/dbraw/zinc/10/87/86/527108786.db2.gz SWDZKLZNIAJLDP-OAHLLOKOSA-N 1 0 276.449 3.670 10 0 CHAERO [NH3+]CC1(Cc2cc(Br)cs2)CCCC1 ZINC000054635735 527162821 /nfs/dbraw/zinc/16/28/21/527162821.db2.gz RXKWRMZCAWTDJT-UHFFFAOYSA-N 1 0 274.227 3.572 10 0 CHAERO NC[C@@H](c1csc2ccccc12)[NH+]1CCCCCC1 ZINC000054463879 527208212 /nfs/dbraw/zinc/20/82/12/527208212.db2.gz JIRIXFAYRLYMBT-HNNXBMFYSA-N 1 0 274.433 3.777 10 0 CHAERO [NH3+]Cc1c(Cl)cccc1SCc1ccco1 ZINC000052905116 527243617 /nfs/dbraw/zinc/24/36/17/527243617.db2.gz WVJDFOXXJILEBP-UHFFFAOYSA-N 1 0 253.754 3.684 10 0 CHAERO [NH3+]Cc1ccc(Cl)cc1N1CCCc2ccccc21 ZINC000062786735 527253768 /nfs/dbraw/zinc/25/37/68/527253768.db2.gz FGFGUMXVPGIRHD-UHFFFAOYSA-N 1 0 272.779 3.883 10 0 CHAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1cccc(Cl)c1Cl ZINC000054686374 527389299 /nfs/dbraw/zinc/38/92/99/527389299.db2.gz PITLUGLKMYYGRX-UKRRQHHQSA-N 1 0 296.197 3.597 10 0 CHAERO [NH3+][C@H](c1ccsc1)c1ccccc1C(F)(F)F ZINC000055233789 527392795 /nfs/dbraw/zinc/39/27/95/527392795.db2.gz QQVBKLILYWKBIC-LLVKDONJSA-N 1 0 257.280 3.815 10 0 CHAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000237866710 527404081 /nfs/dbraw/zinc/40/40/81/527404081.db2.gz LPXDJAUMYDBRQG-IRXDYDNUSA-N 1 0 296.370 3.545 10 0 CHAERO [NH3+][C@]1(c2cc(F)cc(F)c2)CCCc2ccccc21 ZINC000055194011 527421735 /nfs/dbraw/zinc/42/17/35/527421735.db2.gz DNXQLTFUPOXXMZ-INIZCTEOSA-N 1 0 259.299 3.503 10 0 CHAERO Nc1[nH+]c2ccccc2n1[C@H]1CCCc2sccc21 ZINC000061365013 527562607 /nfs/dbraw/zinc/56/26/07/527562607.db2.gz PVGXXBSQUSHNBU-LBPRGKRZSA-N 1 0 269.373 3.606 10 0 CHAERO OC[C@H]([NH2+]Cc1cccs1)c1csc2ccccc12 ZINC000054465916 527609126 /nfs/dbraw/zinc/60/91/26/527609126.db2.gz BKONVMHSVPNHKT-AWEZNQCLSA-N 1 0 289.425 3.786 10 0 CHAERO CC(C)c1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083441495 535372466 /nfs/dbraw/zinc/37/24/66/535372466.db2.gz PHABLKOFDPOREF-YOEHRIQHSA-N 1 0 260.425 3.633 10 0 CHAERO CC[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730697 567890940 /nfs/dbraw/zinc/89/09/40/567890940.db2.gz CTEQHEKCXPQPIC-UHFFFAOYSA-N 1 0 262.180 3.890 10 0 CHAERO COc1cccc(C[N@H+](C[C@@H](O)c2ccccc2)C(C)C)c1 ZINC000036031117 566993443 /nfs/dbraw/zinc/99/34/43/566993443.db2.gz SBUFYKHKBYYGGU-LJQANCHMSA-N 1 0 299.414 3.639 10 0 CHAERO C[C@@H]1CCC[N@@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952309 567209144 /nfs/dbraw/zinc/20/91/44/567209144.db2.gz FJDBTJOYDJZVCO-CABCVRRESA-N 1 0 296.455 3.508 10 0 CHAERO Cc1ccc(C[NH2+]C2CCC2)c(C)c1Br ZINC000616578802 567213286 /nfs/dbraw/zinc/21/32/86/567213286.db2.gz QJQSXWOTNPNNIF-UHFFFAOYSA-N 1 0 268.198 3.708 10 0 CHAERO CC(C)[N@@H+]1CCC(=O)C12CC(C)(C)CC(C)(C)C2 ZINC000712016624 567836772 /nfs/dbraw/zinc/83/67/72/567836772.db2.gz DKZJGGVJBVECPO-UHFFFAOYSA-N 1 0 251.414 3.645 10 0 CHAERO C[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000057353104 567894939 /nfs/dbraw/zinc/89/49/39/567894939.db2.gz RDCULYQGOMQYPN-UHFFFAOYSA-N 1 0 268.335 3.548 10 0 CHAERO Cc1cnccc1C[N@@H+](C)Cc1cc2ccccc2n1C ZINC000065398793 567899071 /nfs/dbraw/zinc/89/90/71/567899071.db2.gz QYHLGFBDEYUIHY-UHFFFAOYSA-N 1 0 279.387 3.514 10 0 CHAERO CC(C)(C)c1cccc(-c2ccc(C[NH3+])c(F)n2)c1 ZINC000725269471 567924495 /nfs/dbraw/zinc/92/44/95/567924495.db2.gz MBWHBVVWQDIDBS-UHFFFAOYSA-N 1 0 258.340 3.644 10 0 CHAERO CC[C@@H](C)[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270257 567924617 /nfs/dbraw/zinc/92/46/17/567924617.db2.gz KJMAHCLTLWHFTK-SSDOTTSWSA-N 1 0 266.694 3.642 10 0 CHAERO C[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000019777219 567944726 /nfs/dbraw/zinc/94/47/26/567944726.db2.gz MSXQSCHCCHAJKJ-UHFFFAOYSA-N 1 0 279.742 3.778 10 0 CHAERO CCC[N@H+](Cc1ccccn1)Cc1ccccc1OC ZINC000055041941 570240465 /nfs/dbraw/zinc/24/04/65/570240465.db2.gz VADLUKMCGUQHGD-UHFFFAOYSA-N 1 0 270.376 3.502 10 0 CHAERO [NH3+]CC1(c2ccc(Br)cc2)CC2(CCC2)C1 ZINC000083174063 570273417 /nfs/dbraw/zinc/27/34/17/570273417.db2.gz JNIWVEDCRIPELT-UHFFFAOYSA-N 1 0 280.209 3.610 10 0 CHAERO C[C@H]1CCC[N@@H+](C2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685961518 570406820 /nfs/dbraw/zinc/40/68/20/570406820.db2.gz SLWUQPMHORFBJH-AWEZNQCLSA-N 1 0 296.455 3.508 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(C(C)(C)C)cc1 ZINC000375606541 1120013786 /nfs/dbraw/zinc/01/37/86/1120013786.db2.gz OKUBICKRDRRGOZ-OSMBCOQSSA-N 1 0 273.420 3.527 10 0 CHAERO C[N@H+](Cc1nc(-c2ccoc2)no1)C1CCCCCCC1 ZINC000105608763 1123059236 /nfs/dbraw/zinc/05/92/36/1123059236.db2.gz QMASRIFTNZBKAV-UHFFFAOYSA-N 1 0 289.379 3.874 10 0 CHAERO CC(C)=CC[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000192318186 1125332868 /nfs/dbraw/zinc/33/28/68/1125332868.db2.gz FHYKNVYLLGLPKL-ZBFHGGJFSA-N 1 0 278.465 3.687 10 0 CHAERO CC(C)C[NH2+]Cc1cnc(CSC(C)C)s1 ZINC000082416488 177986396 /nfs/dbraw/zinc/98/63/96/177986396.db2.gz HOIVRSMLBMKFJB-UHFFFAOYSA-N 1 0 258.456 3.530 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cccc(C)c2)nc1COC ZINC000082445358 178021707 /nfs/dbraw/zinc/02/17/07/178021707.db2.gz WKNNJMGECZXDJV-UHFFFAOYSA-N 1 0 290.432 3.765 10 0 CHAERO CCCc1nc(CSC(C)C)sc1C[NH2+]CC ZINC000082427822 178003435 /nfs/dbraw/zinc/00/34/35/178003435.db2.gz UPYHAKWXMYNKHH-UHFFFAOYSA-N 1 0 272.483 3.847 10 0 CHAERO CCCSCc1nc(CCC)c(C[NH2+]CC)s1 ZINC000082427859 178003459 /nfs/dbraw/zinc/00/34/59/178003459.db2.gz MDCSXJRWKQKLHA-UHFFFAOYSA-N 1 0 272.483 3.848 10 0 CHAERO CC[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1C(C)C ZINC000082434777 178012280 /nfs/dbraw/zinc/01/22/80/178012280.db2.gz FFZOPIBYNYUXNV-GFCCVEGCSA-N 1 0 281.469 3.755 10 0 CHAERO CC(C)c1nc(CCc2ccccc2)sc1C[NH3+] ZINC000082435011 178012608 /nfs/dbraw/zinc/01/26/08/178012608.db2.gz JEYZRMNGHMVNKU-UHFFFAOYSA-N 1 0 260.406 3.510 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccccc2OC)nc1C1CC1 ZINC000082436625 178013679 /nfs/dbraw/zinc/01/36/79/178013679.db2.gz GVKFERIQNRIQLG-UHFFFAOYSA-N 1 0 288.416 3.806 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccco2)nc1C1CC1 ZINC000082436848 178014873 /nfs/dbraw/zinc/01/48/73/178014873.db2.gz DPUDGXGYVAWQIB-UHFFFAOYSA-N 1 0 262.378 3.780 10 0 CHAERO CCC[NH2+]Cc1sc([C@@H]2CCCO2)nc1C(C)(C)C ZINC000082440115 178018607 /nfs/dbraw/zinc/01/86/07/178018607.db2.gz CIOMLOXBYBEALI-NSHDSACASA-N 1 0 282.453 3.792 10 0 CHAERO COc1ccc(-c2nc(C(C)(C)C)c(C[NH3+])s2)cc1 ZINC000082440511 178018694 /nfs/dbraw/zinc/01/86/94/178018694.db2.gz OCGFPUJCQIZYEQ-UHFFFAOYSA-N 1 0 276.405 3.575 10 0 CHAERO CC[NH2+][C@@H]1CC(CC)(CC)Oc2ccc(F)cc21 ZINC000082508380 178073709 /nfs/dbraw/zinc/07/37/09/178073709.db2.gz YQJQJYSLEOPAHQ-CYBMUJFWSA-N 1 0 251.345 3.818 10 0 CHAERO Cc1ccc(-c2csc(CCCC[NH3+])n2)c(C)c1 ZINC000082569856 178104221 /nfs/dbraw/zinc/10/42/21/178104221.db2.gz WQFQVOZZYUOHHG-UHFFFAOYSA-N 1 0 260.406 3.708 10 0 CHAERO Cc1ccc(C[NH2+]CCSC(F)(F)C(F)(F)F)cc1 ZINC000095918341 185031134 /nfs/dbraw/zinc/03/11/34/185031134.db2.gz QDYBBBVAZKWOHG-UHFFFAOYSA-N 1 0 299.308 3.973 10 0 CHAERO CCC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1C ZINC000082661271 178147930 /nfs/dbraw/zinc/14/79/30/178147930.db2.gz BYBPFZFZZTXHLM-UHFFFAOYSA-N 1 0 297.324 3.699 10 0 CHAERO C[C@@H]([NH3+])c1ccc(Br)c2ccccc21 ZINC000082726294 178242271 /nfs/dbraw/zinc/24/22/71/178242271.db2.gz ORWKSMWNIJVYSS-MRVPVSSYSA-N 1 0 250.139 3.622 10 0 CHAERO O[C@@H](c1ccc(Cl)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000083140629 178340613 /nfs/dbraw/zinc/34/06/13/178340613.db2.gz UAJKLBVHYUCTDY-BDJLRTHQSA-N 1 0 275.779 3.526 10 0 CHAERO [NH3+][C@@H](c1cc(Br)ccc1F)C1CCCC1 ZINC000083256153 178371566 /nfs/dbraw/zinc/37/15/66/178371566.db2.gz RYRIOCULLSFNGD-GFCCVEGCSA-N 1 0 272.161 3.778 10 0 CHAERO C[NH2+]CCCCc1ccc(OC)c(Cl)c1Cl ZINC000096889444 185123537 /nfs/dbraw/zinc/12/35/37/185123537.db2.gz NPFQMVQYGFPSTM-UHFFFAOYSA-N 1 0 262.180 3.544 10 0 CHAERO C[C@H](OCC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000096891002 185124422 /nfs/dbraw/zinc/12/44/22/185124422.db2.gz JOVOHYHRQVNAQJ-LBPRGKRZSA-N 1 0 265.422 3.758 10 0 CHAERO Cc1cc(C(C)(C)C)ccc1[C@@H](OCC[NH3+])C1CC1 ZINC000096891528 185124902 /nfs/dbraw/zinc/12/49/02/185124902.db2.gz LTDZQSZFQJYFBK-INIZCTEOSA-N 1 0 261.409 3.719 10 0 CHAERO O[C@@]12CCCC[C@H]1C[N@H+](CCC1CCCCC1)CC2 ZINC000311363193 260243552 /nfs/dbraw/zinc/24/35/52/260243552.db2.gz CDHNYLMWKNQVRY-DLBZAZTESA-N 1 0 265.441 3.584 10 0 CHAERO C[C@@H]1CCc2ccccc2N1c1ccc(C[NH3+])cc1 ZINC000019865491 136578903 /nfs/dbraw/zinc/57/89/03/136578903.db2.gz CATXKTXTDFBXCB-CYBMUJFWSA-N 1 0 252.361 3.618 10 0 CHAERO CC(C)C[NH2+]C[C@H](OC[C@H]1CC=CC[C@@H]1C)C(C)C ZINC000104004595 185880353 /nfs/dbraw/zinc/88/03/53/185880353.db2.gz SHSAYFMPVTWUPN-BBWFWOEESA-N 1 0 267.457 3.876 10 0 CHAERO CCC[C@@H](C)CC1(C[NH2+]CCOC)CCCCC1 ZINC000104014332 185882888 /nfs/dbraw/zinc/88/28/88/185882888.db2.gz XITXUHKPXCRSLL-OAHLLOKOSA-N 1 0 255.446 3.999 10 0 CHAERO Cc1csc(Sc2ccc(C[C@@H](C)[NH3+])cc2F)n1 ZINC000104298779 185958730 /nfs/dbraw/zinc/95/87/30/185958730.db2.gz DGYXMKSXURKPSG-MRVPVSSYSA-N 1 0 282.409 3.632 10 0 CHAERO [NH3+][C@H](C[C@H]1CCCc2ccccc21)CC(F)(F)F ZINC000104309379 185962773 /nfs/dbraw/zinc/96/27/73/185962773.db2.gz ATFPGRURCYKGCU-VXGBXAGGSA-N 1 0 257.299 3.776 10 0 CHAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000104449273 186005917 /nfs/dbraw/zinc/00/59/17/186005917.db2.gz WJSLBGZOYXGNHC-GFCCVEGCSA-N 1 0 262.397 3.559 10 0 CHAERO C#[N+]c1c(F)cc(Br)cc1Br ZINC000104899338 186030881 /nfs/dbraw/zinc/03/08/81/186030881.db2.gz XKCGXTLLXGPLJV-UHFFFAOYSA-N 1 0 278.906 3.901 10 0 CHAERO Cc1cc(Br)c2c(c1)[C@H](CC(C)C)[NH2+]CC2 ZINC000106238839 186105364 /nfs/dbraw/zinc/10/53/64/186105364.db2.gz RGWDJFFICOYXEM-AWEZNQCLSA-N 1 0 282.225 3.990 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccc(C(C)(C)C)cc1 ZINC000083542010 535264324 /nfs/dbraw/zinc/26/43/24/535264324.db2.gz KYJUSFDUEANGIA-PBHICJAKSA-N 1 0 274.452 3.807 10 0 CHAERO CCC[n+]1ccc(-c2nc3cc(CC)ccc3o2)cc1 ZINC000226773896 189778484 /nfs/dbraw/zinc/77/84/84/189778484.db2.gz AAFXHRODGMOZJC-UHFFFAOYSA-N 1 0 267.352 3.755 10 0 CHAERO C[C@](O)(c1ccccc1)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000255982713 189999485 /nfs/dbraw/zinc/99/94/85/189999485.db2.gz KDFJCXJFHLCCRU-AQNXPRMDSA-N 1 0 295.426 3.820 10 0 CHAERO CC(C)(C)OC(=O)n1cc(CC[NH3+])c2cc(Cl)ccc21 ZINC000261506956 190039750 /nfs/dbraw/zinc/03/97/50/190039750.db2.gz CYCQXNOOENIEGC-UHFFFAOYSA-N 1 0 294.782 3.579 10 0 CHAERO C[C@H]([NH3+])c1cc(F)ccc1N1c2ccccc2C[C@@H]1C ZINC000019872296 184535040 /nfs/dbraw/zinc/53/50/40/184535040.db2.gz PUBAHPUOVWQCCP-RYUDHWBXSA-N 1 0 270.351 3.928 10 0 CHAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000037775911 184542280 /nfs/dbraw/zinc/54/22/80/184542280.db2.gz ZVCHJMNVHJKTJE-NEPJUHHUSA-N 1 0 255.352 3.920 10 0 CHAERO C[C@@H](c1cccs1)N(C)C(=[NH2+])Nc1ccccc1 ZINC000060393327 184567761 /nfs/dbraw/zinc/56/77/61/184567761.db2.gz BMHVKTFBDMRZOO-NSHDSACASA-N 1 0 259.378 3.788 10 0 CHAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc3ccccc3c2)cn1 ZINC000171413472 335065365 /nfs/dbraw/zinc/06/53/65/335065365.db2.gz BSKKVZRJQGMWQP-LJQANCHMSA-N 1 0 291.398 3.910 10 0 CHAERO CC(C)c1ccccc1N1C[C@@H](C(C)C)[NH2+]C[C@H]1C ZINC000083441486 135021453 /nfs/dbraw/zinc/02/14/53/135021453.db2.gz MMWCJOJHSPUQFC-ZBFHGGJFSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@@H]1CN(c2cccc(C(C)C)c2)[C@H](CC)C[NH2+]1 ZINC000083441574 135021579 /nfs/dbraw/zinc/02/15/79/135021579.db2.gz NVIBOQFAAZZDOM-HZPDHXFCSA-N 1 0 260.425 3.777 10 0 CHAERO CC[C@@H]1CN(c2cccc(Cl)c2C)[C@@H](CC)C[NH2+]1 ZINC000083493744 135024554 /nfs/dbraw/zinc/02/45/54/135024554.db2.gz AOBVESSKZZKYAE-OLZOCXBDSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(Cl)cc1 ZINC000083493787 135024643 /nfs/dbraw/zinc/02/46/43/135024643.db2.gz AESFAMDHGFAROX-HIFRSBDPSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@H]1CN(c2ccc(C)c(Cl)c2)[C@@H](CC)C[NH2+]1 ZINC000083493750 135024659 /nfs/dbraw/zinc/02/46/59/135024659.db2.gz SXVNMPBGAJIFLW-STQMWFEESA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@H]1CN(c2cc(Cl)cc(Cl)c2)[C@H](C)C[NH2+]1 ZINC000083536428 135027099 /nfs/dbraw/zinc/02/70/99/135027099.db2.gz XJVPPDNZQNJGKW-SKDRFNHKSA-N 1 0 273.207 3.570 10 0 CHAERO Cc1cc(F)ccc1N1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000083587398 135030115 /nfs/dbraw/zinc/03/01/15/135030115.db2.gz PTOWSSWBRQRCGO-NVXWUHKLSA-N 1 0 278.415 3.593 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)sc3C)C2)c1 ZINC000171529219 335068976 /nfs/dbraw/zinc/06/89/76/335068976.db2.gz RSPBFPPKZXJIAM-MRXNPFEDSA-N 1 0 289.448 3.707 10 0 CHAERO CC[NH+](CC)CCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000006205146 170182451 /nfs/dbraw/zinc/18/24/51/170182451.db2.gz JMFFVUIUIJWMBF-UHFFFAOYSA-N 1 0 261.409 3.899 10 0 CHAERO Cc1cccc(NC(=O)C[NH2+]C2CCCCCCC2)c1 ZINC000008131047 170320118 /nfs/dbraw/zinc/32/01/18/170320118.db2.gz GPZWAJVCBXKXTN-UHFFFAOYSA-N 1 0 274.408 3.636 10 0 CHAERO COc1ccc(OC)c([C@H]([NH3+])Cc2cccc(Cl)c2)c1 ZINC000011604076 170426204 /nfs/dbraw/zinc/42/62/04/170426204.db2.gz YOUAYLQXJCQFGK-OAHLLOKOSA-N 1 0 291.778 3.600 10 0 CHAERO COc1ccccc1C[C@@H]([NH3+])c1ccccc1Cl ZINC000011603244 170426259 /nfs/dbraw/zinc/42/62/59/170426259.db2.gz JSYVDXUSLMGPAB-CQSZACIVSA-N 1 0 261.752 3.591 10 0 CHAERO CCCCCCOc1ccc(CC[NH3+])cc1OCC ZINC000011827383 170444495 /nfs/dbraw/zinc/44/44/95/170444495.db2.gz BLGMFMKINZBOQK-UHFFFAOYSA-N 1 0 265.397 3.546 10 0 CHAERO Cc1cc(OCc2ccc(C[NH3+])cc2)ccc1Cl ZINC000011945479 170460282 /nfs/dbraw/zinc/46/02/82/170460282.db2.gz PXAAKTIAEAODLN-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO CCC[NH+](CCC)[C@H]1Cc2c(O)cccc2C[C@H]1C ZINC000013819960 170598258 /nfs/dbraw/zinc/59/82/58/170598258.db2.gz YRGIQICNKWCKCO-CJNGLKHVSA-N 1 0 261.409 3.618 10 0 CHAERO c1ccc(-c2[nH]c(-c3ccccc3)c3c2C[NH2+]C3)cc1 ZINC000013835380 170603209 /nfs/dbraw/zinc/60/32/09/170603209.db2.gz QESHRVBTMONRHG-UHFFFAOYSA-N 1 0 260.340 3.952 10 0 CHAERO Cc1c(Cl)cccc1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019425699 170794833 /nfs/dbraw/zinc/79/48/33/170794833.db2.gz INMJNSRUAXFMQL-CQSZACIVSA-N 1 0 288.778 3.677 10 0 CHAERO CCC(CC)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019516706 170822893 /nfs/dbraw/zinc/82/28/93/170822893.db2.gz PVIIRICGRMJSLV-LBPRGKRZSA-N 1 0 256.187 3.885 10 0 CHAERO CC[C@H]([NH3+])c1ccccc1OCc1cccc(C)c1 ZINC000019803073 170871652 /nfs/dbraw/zinc/87/16/52/170871652.db2.gz NSXYRZCETXBQEO-INIZCTEOSA-N 1 0 255.361 3.984 10 0 CHAERO Cc1csc(Sc2ccc([C@H](C)[NH3+])cc2F)n1 ZINC000019874099 170903592 /nfs/dbraw/zinc/90/35/92/170903592.db2.gz KJTVBQWSMVYOPZ-QMMMGPOBSA-N 1 0 268.382 3.762 10 0 CHAERO COCCc1ccc([C@@H]([NH3+])Cc2ccccc2Cl)cc1 ZINC000019970901 170954715 /nfs/dbraw/zinc/95/47/15/170954715.db2.gz QHXUQQIHMBDSOR-KRWDZBQOSA-N 1 0 289.806 3.771 10 0 CHAERO CCN(C[C@@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000020072775 170983106 /nfs/dbraw/zinc/98/31/06/170983106.db2.gz GHMQURKEYPLGIZ-OAHLLOKOSA-N 1 0 268.404 3.666 10 0 CHAERO C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccncc1 ZINC000020121676 171000844 /nfs/dbraw/zinc/00/08/44/171000844.db2.gz CLEQOMWHWMJPPG-GFCCVEGCSA-N 1 0 252.317 3.679 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(O)cc1 ZINC000020127655 171013294 /nfs/dbraw/zinc/01/32/94/171013294.db2.gz AKUXAQAUPXEWRE-BLLLJJGKSA-N 1 0 256.349 3.589 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020129395 171016932 /nfs/dbraw/zinc/01/69/32/171016932.db2.gz OOEMEKRRCOTUKZ-LPHOPBHVSA-N 1 0 282.431 3.949 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(O)cc1 ZINC000020129728 171018125 /nfs/dbraw/zinc/01/81/25/171018125.db2.gz DWPXNPBSEQWLFF-SJKOYZFVSA-N 1 0 253.345 3.730 10 0 CHAERO CC[C@@H]([NH2+]Cc1cccc(C)c1)c1ccc(O)cc1 ZINC000020134121 171021818 /nfs/dbraw/zinc/02/18/18/171021818.db2.gz VRAYOHURGVHTCX-QGZVFWFLSA-N 1 0 255.361 3.942 10 0 CHAERO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000020144699 171030062 /nfs/dbraw/zinc/03/00/62/171030062.db2.gz YCUBHCPXUYBEAU-CHWSQXEVSA-N 1 0 259.349 3.657 10 0 CHAERO Cc1c([C@H](C)[NH3+])cnn1-c1ccc(Cl)c(Cl)c1 ZINC000020216641 171079104 /nfs/dbraw/zinc/07/91/04/171079104.db2.gz RRSADGDCMZSJDT-ZETCQYMHSA-N 1 0 270.163 3.507 10 0 CHAERO CN(Cc1ccccc1Cl)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225661 171088023 /nfs/dbraw/zinc/08/80/23/171088023.db2.gz XMBDLUQADURPJO-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO CCc1ccc(CN(CCC[NH3+])c2cccc(C)c2)cc1 ZINC000020237025 171096135 /nfs/dbraw/zinc/09/61/35/171096135.db2.gz SFCBXWBCIMCCRX-UHFFFAOYSA-N 1 0 282.431 3.913 10 0 CHAERO CC(C)CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000020252062 171104501 /nfs/dbraw/zinc/10/45/01/171104501.db2.gz VNNDBKBVQWCWKJ-GFCCVEGCSA-N 1 0 256.187 3.885 10 0 CHAERO CC[C@H](Oc1cccc(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000020262682 171120981 /nfs/dbraw/zinc/12/09/81/171120981.db2.gz GTAPERSFEWYTTF-JKSUJKDBSA-N 1 0 259.324 3.683 10 0 CHAERO CCC[C@H]([NH3+])[C@H](CC)Oc1cccc2cccnc21 ZINC000020296820 171136457 /nfs/dbraw/zinc/13/64/57/171136457.db2.gz DYYAZVDJKSUBSA-KBPBESRZSA-N 1 0 258.365 3.520 10 0 CHAERO Cc1cc(C[NH2+][C@@H](C)c2cccc(F)c2)cc(C)c1O ZINC000020305576 171142249 /nfs/dbraw/zinc/14/22/49/171142249.db2.gz BOWALCRLOAGKJM-ZDUSSCGKSA-N 1 0 273.351 3.999 10 0 CHAERO COc1cccc(C[C@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000020375038 171170694 /nfs/dbraw/zinc/17/06/94/171170694.db2.gz KYMVYHWSZFNLHD-NSHDSACASA-N 1 0 267.781 3.653 10 0 CHAERO Cc1cc(C)c(C)c(OC[C@@H]([NH3+])c2ccccc2)c1 ZINC000020425480 171192080 /nfs/dbraw/zinc/19/20/80/171192080.db2.gz XUHFALPPEZUTHU-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)Oc1ccc([C@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000020434836 171200929 /nfs/dbraw/zinc/20/09/29/171200929.db2.gz ZSOVTNJMQONBSR-MRXNPFEDSA-N 1 0 259.324 3.661 10 0 CHAERO [NH2+]=C1CCCN1CCc1ccc(Cl)cc1Cl ZINC000020444145 171205731 /nfs/dbraw/zinc/20/57/31/171205731.db2.gz RLHDHXKSIDGCPF-UHFFFAOYSA-N 1 0 257.164 3.609 10 0 CHAERO CC(C)[NH+]1CCC(Nc2cccc(Cl)c2F)CC1 ZINC000020472461 171215576 /nfs/dbraw/zinc/21/55/76/171215576.db2.gz HHASNEKJSOESRE-UHFFFAOYSA-N 1 0 270.779 3.764 10 0 CHAERO CCCCN(CCCC)[C@@H](C[NH3+])c1ccccc1F ZINC000020484985 171224410 /nfs/dbraw/zinc/22/44/10/171224410.db2.gz VTEOOEIUBUGKTM-INIZCTEOSA-N 1 0 266.404 3.728 10 0 CHAERO CCCCN(CCCC)[C@@H](C[NH3+])c1ccccc1OC ZINC000020484724 171224587 /nfs/dbraw/zinc/22/45/87/171224587.db2.gz XVZHBFJZMGVWQL-INIZCTEOSA-N 1 0 278.440 3.597 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)c1sccc1C ZINC000020484721 171224784 /nfs/dbraw/zinc/22/47/84/171224784.db2.gz PCWFAACTXVUQML-CQSZACIVSA-N 1 0 268.470 3.959 10 0 CHAERO CC(C)(C)OC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000020510737 171230347 /nfs/dbraw/zinc/23/03/47/171230347.db2.gz LSYYERIKCIXLRA-LLVKDONJSA-N 1 0 261.287 3.520 10 0 CHAERO CC(C)CCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020511345 171231100 /nfs/dbraw/zinc/23/11/00/171231100.db2.gz DHZRJIBXCPYRMI-QLFBSQMISA-N 1 0 255.446 3.981 10 0 CHAERO Cc1ccc([C@H]([NH3+])CO[C@H]2CCC[C@@H](C)C2)cc1C ZINC000020513102 171231618 /nfs/dbraw/zinc/23/16/18/171231618.db2.gz VNSWZMKSUBNPOP-OAUYIBNBSA-N 1 0 261.409 3.899 10 0 CHAERO COc1ccc([C@@H]([NH3+])CC(C)(C)C)cc1Br ZINC000020522119 171235474 /nfs/dbraw/zinc/23/54/74/171235474.db2.gz CCNSUQKXSGERBP-NSHDSACASA-N 1 0 286.213 3.894 10 0 CHAERO CCC(CC)[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020522268 171235489 /nfs/dbraw/zinc/23/54/89/171235489.db2.gz ISYWKJHHKWROTJ-ZDUSSCGKSA-N 1 0 286.213 3.894 10 0 CHAERO CCCOc1ccc([C@@H]([NH3+])CO[C@H](C)CC(C)C)cc1 ZINC000020549500 171246298 /nfs/dbraw/zinc/24/62/98/171246298.db2.gz SIYOBUSJMJHWGV-PBHICJAKSA-N 1 0 279.424 3.926 10 0 CHAERO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000020550303 171246900 /nfs/dbraw/zinc/24/69/00/171246900.db2.gz GDCQZOIIUMBYIG-BBWFWOEESA-N 1 0 268.489 3.911 10 0 CHAERO CCCCC[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000020551121 171247164 /nfs/dbraw/zinc/24/71/64/171247164.db2.gz HIQRISUDZAVPTN-HZPDHXFCSA-N 1 0 254.462 3.665 10 0 CHAERO Cc1cc(C)c([C@@H]([NH3+])Cc2cccc(F)c2)c(C)c1 ZINC000020557056 171250386 /nfs/dbraw/zinc/25/03/86/171250386.db2.gz MOAHBISPLQKWLC-INIZCTEOSA-N 1 0 257.352 3.993 10 0 CHAERO CCN(CC)CC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000020564651 171253454 /nfs/dbraw/zinc/25/34/54/171253454.db2.gz NBICQZAPHMEZBB-INIZCTEOSA-N 1 0 276.468 3.878 10 0 CHAERO COc1ccccc1[C@@H]([NH3+])COc1ccc(C(C)C)cc1 ZINC000020567327 171255186 /nfs/dbraw/zinc/25/51/86/171255186.db2.gz PDBDIDYVTZGBGF-KRWDZBQOSA-N 1 0 285.387 3.897 10 0 CHAERO CCCC[N@H+](C)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020567069 171255328 /nfs/dbraw/zinc/25/53/28/171255328.db2.gz GLCHUXIKNUOCHA-MRXNPFEDSA-N 1 0 262.441 3.716 10 0 CHAERO NCC1([NH+]2CCCCCCC2)CCCCCCC1 ZINC000020567413 171255340 /nfs/dbraw/zinc/25/53/40/171255340.db2.gz PVQYOFXHNIKCID-UHFFFAOYSA-N 1 0 252.446 3.694 10 0 CHAERO CCC(CC)[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586940 171259333 /nfs/dbraw/zinc/25/93/33/171259333.db2.gz LHKIJPFBZUMGHL-ZDUSSCGKSA-N 1 0 286.213 3.894 10 0 CHAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CC ZINC000020930137 171281192 /nfs/dbraw/zinc/28/11/92/171281192.db2.gz OTUPUZLUPDMVRT-UHFFFAOYSA-N 1 0 262.180 3.892 10 0 CHAERO CC[C@@H](C)C[C@](CC)(C[NH3+])N1CCc2ccccc21 ZINC000021009896 171286343 /nfs/dbraw/zinc/28/63/43/171286343.db2.gz QBXHNBIROZIIMU-RHSMWYFYSA-N 1 0 260.425 3.593 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+](C[C@@H](N)c2ccc3ccccc3c2)C1 ZINC000021012543 171288212 /nfs/dbraw/zinc/28/82/12/171288212.db2.gz XJEDPFSJGLOWHH-YZVOILCLSA-N 1 0 282.431 3.818 10 0 CHAERO CC[NH+](CC)[C@H](c1ccccc1)[C@@H](N)Cc1ccccc1 ZINC000021013691 171288759 /nfs/dbraw/zinc/28/87/59/171288759.db2.gz AVAKWBHVJIRYDX-RBUKOAKNSA-N 1 0 282.431 3.640 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2cccc(C)c2)c(C)c1 ZINC000021019277 171290423 /nfs/dbraw/zinc/29/04/23/171290423.db2.gz AFXMXDWCUWAPJZ-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO CCOCCC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000021027262 171291140 /nfs/dbraw/zinc/29/11/40/171291140.db2.gz CQGYHXJBBIGWQI-HNNXBMFYSA-N 1 0 263.425 3.962 10 0 CHAERO CC(C)[C@H]([C@H](N)c1ccccc1)[NH+]1CCCCCC1 ZINC000021044123 171293732 /nfs/dbraw/zinc/29/37/32/171293732.db2.gz NGMCYXPPPJSATD-IAGOWNOFSA-N 1 0 260.425 3.587 10 0 CHAERO CC(C)CCO[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021046480 171294519 /nfs/dbraw/zinc/29/45/19/171294519.db2.gz NJPJZFVMGXMQLJ-IKGGRYGDSA-N 1 0 261.409 3.713 10 0 CHAERO c1ccc(Oc2ccc(OC[C@@H]3CCCC[NH2+]3)cc2)cc1 ZINC000021047415 171294611 /nfs/dbraw/zinc/29/46/11/171294611.db2.gz CSJNBXMUZIPBKQ-HNNXBMFYSA-N 1 0 283.371 4.000 10 0 in-vivo CHAERO Cc1cc(C)c([C@H]([NH3+])CN(C)c2ccccc2)c(C)c1 ZINC000021056474 171295777 /nfs/dbraw/zinc/29/57/77/171295777.db2.gz WJJFQSSAYXTWRZ-QGZVFWFLSA-N 1 0 268.404 3.748 10 0 CHAERO CCN(C[C@@H]([NH3+])C(C)C)c1cccc2ccccc21 ZINC000021501721 171305888 /nfs/dbraw/zinc/30/58/88/171305888.db2.gz UEAQARRYJKFIOY-MRXNPFEDSA-N 1 0 256.393 3.649 10 0 CHAERO C[C@H]1CCCC[N@@H+]1C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021504149 171307089 /nfs/dbraw/zinc/30/70/89/171307089.db2.gz NVTUOCJCGORCAK-WMLDXEAASA-N 1 0 274.452 3.858 10 0 CHAERO [NH3+][C@@H]1c2ccccc2CCC[C@H]1Oc1ccc(F)cc1 ZINC000021505969 171307404 /nfs/dbraw/zinc/30/74/04/171307404.db2.gz PQLABYGEJPXEFW-IAGOWNOFSA-N 1 0 271.335 3.609 10 0 CHAERO Cc1ccc(O[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1C ZINC000021507881 171309003 /nfs/dbraw/zinc/30/90/03/171309003.db2.gz ZYGLRYVDYMBSDX-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO CC[C@H]([NH3+])[C@H](C)Oc1ccc(Oc2ccccc2)cc1 ZINC000021509418 171309362 /nfs/dbraw/zinc/30/93/62/171309362.db2.gz UTVIWJSIGNUFIN-GUYCJALGSA-N 1 0 271.360 3.984 10 0 CHAERO Cc1cccc(OC[C@@H]([NH3+])c2cc(C)ccc2C)c1 ZINC000021520974 171316160 /nfs/dbraw/zinc/31/61/60/171316160.db2.gz MCHQCFDPPIWSHK-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO COc1ccc(OC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000021792248 171324263 /nfs/dbraw/zinc/32/42/63/171324263.db2.gz YCUVNDMHESAIRN-GOSISDBHSA-N 1 0 285.387 3.897 10 0 CHAERO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000021794236 171324543 /nfs/dbraw/zinc/32/45/43/171324543.db2.gz SEWYBRPMUHUFTI-XJISEUOASA-N 1 0 290.495 3.793 10 0 CHAERO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000021794242 171324811 /nfs/dbraw/zinc/32/48/11/171324811.db2.gz SEWYBRPMUHUFTI-FCUZTIEGSA-N 1 0 290.495 3.793 10 0 CHAERO CCCC[N@H+](C)C[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021798418 171325352 /nfs/dbraw/zinc/32/53/52/171325352.db2.gz VAPGDFQOKJRLAU-INIZCTEOSA-N 1 0 262.441 3.716 10 0 CHAERO CCCOc1ccccc1O[C@H]1CCCCCC[C@H]1[NH3+] ZINC000021800936 171325832 /nfs/dbraw/zinc/32/58/32/171325832.db2.gz DQQXSVCOTAUJHR-CABCVRRESA-N 1 0 277.408 3.904 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@H]1Oc1cccc2ccccc21 ZINC000021800290 171325930 /nfs/dbraw/zinc/32/59/30/171325930.db2.gz QHYAHVDIMILDDO-NVXWUHKLSA-N 1 0 255.361 3.879 10 0 CHAERO C[C@@H]1CCC[C@H](C)C1[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000021806140 171327622 /nfs/dbraw/zinc/32/76/22/171327622.db2.gz QUWXCDMPXJJFPZ-HZSIZEEPSA-N 1 0 274.452 3.704 10 0 CHAERO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000021806137 171327663 /nfs/dbraw/zinc/32/76/63/171327663.db2.gz QUWXCDMPXJJFPZ-INMHGKMJSA-N 1 0 274.452 3.704 10 0 CHAERO COc1cccc([C@@H]([NH3+])COc2ccc(C(C)C)cc2)c1 ZINC000021813252 171330597 /nfs/dbraw/zinc/33/05/97/171330597.db2.gz BRBUASHZSTVLTO-SFHVURJKSA-N 1 0 285.387 3.897 10 0 CHAERO CC(C)[C@H](Oc1ccccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000021814135 171331423 /nfs/dbraw/zinc/33/14/23/171331423.db2.gz BXYMXBDTTRMTDG-IRXDYDNUSA-N 1 0 273.351 3.929 10 0 CHAERO C[C@H]1CCCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000022149380 171357970 /nfs/dbraw/zinc/35/79/70/171357970.db2.gz KOICOJOUPQQHKT-GOEBONIOSA-N 1 0 253.430 3.894 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccccc2-c2ccccc2)nc1 ZINC000022173075 171368632 /nfs/dbraw/zinc/36/86/32/171368632.db2.gz BNNQOBZHTHHPDB-UHFFFAOYSA-N 1 0 276.339 4.000 10 0 CHAERO [NH3+]C[C@H](c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000022175665 171370631 /nfs/dbraw/zinc/37/06/31/171370631.db2.gz FDGJKNFKZLRMDH-CQSZACIVSA-N 1 0 286.341 3.581 10 0 CHAERO Cc1cccc(C(=O)Nc2cccc([C@H](C)[NH3+])c2)c1C ZINC000022177953 171371668 /nfs/dbraw/zinc/37/16/68/171371668.db2.gz OZCJUPSREJFBKF-ZDUSSCGKSA-N 1 0 268.360 3.575 10 0 CHAERO Cc1ccc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(C)c1 ZINC000022219775 171377185 /nfs/dbraw/zinc/37/71/85/171377185.db2.gz ACQOZRGUSOHZMN-CYBMUJFWSA-N 1 0 268.360 3.575 10 0 CHAERO CC1CC[NH+](C[C@H](N)c2cccc3ccccc32)CC1 ZINC000022563661 171391435 /nfs/dbraw/zinc/39/14/35/171391435.db2.gz MFCNNYHJCRUSDA-SFHVURJKSA-N 1 0 268.404 3.572 10 0 CHAERO CC(C)[C@H](Oc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000022565854 171392053 /nfs/dbraw/zinc/39/20/53/171392053.db2.gz XHRJPHQQJCFCDK-SJORKVTESA-N 1 0 255.361 3.790 10 0 CHAERO COc1ccccc1O[C@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000023067156 171407943 /nfs/dbraw/zinc/40/79/43/171407943.db2.gz IKVNITBJIFMPJK-QZTJIDSGSA-N 1 0 285.387 3.799 10 0 CHAERO CCC[NH+](CCC)CCc1cccc2[nH]c(=O)ccc12 ZINC000029484857 171600962 /nfs/dbraw/zinc/60/09/62/171600962.db2.gz HNZLQEHYKHCTEA-UHFFFAOYSA-N 1 0 272.392 3.605 10 0 CHAERO CCc1ccccc1O[C@H](C[NH3+])c1ccc(C)cc1 ZINC000032108711 171701297 /nfs/dbraw/zinc/70/12/97/171701297.db2.gz MABHFQNOOLRGQF-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO CC[NH2+]Cc1ccc(Oc2ccccc2OCC)cc1 ZINC000033440401 171800330 /nfs/dbraw/zinc/80/03/30/171800330.db2.gz NTTPIHMHJZKGHR-UHFFFAOYSA-N 1 0 271.360 3.987 10 0 CHAERO CCC[NH2+][C@H](C)c1ccccc1-n1nc(C)cc1C ZINC000034665266 171852691 /nfs/dbraw/zinc/85/26/91/171852691.db2.gz MNQOVXFLWSYGLI-CQSZACIVSA-N 1 0 257.381 3.550 10 0 CHAERO Fc1ccc(-c2ccc(C[NH2+]C3CC3)s2)c(F)c1 ZINC000034670547 171856637 /nfs/dbraw/zinc/85/66/37/171856637.db2.gz ZCZQFRFUQCNLKW-UHFFFAOYSA-N 1 0 265.328 3.945 10 0 CHAERO C[NH2+][C@H](C)c1ccc(OCc2cccc(F)c2)cc1 ZINC000034818752 171872113 /nfs/dbraw/zinc/87/21/13/171872113.db2.gz LAXFLVYUBVPBGV-GFCCVEGCSA-N 1 0 259.324 3.685 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000034820106 171873409 /nfs/dbraw/zinc/87/34/09/171873409.db2.gz ZBURJJRXYQFUQR-NWDGAFQWSA-N 1 0 251.370 3.543 10 0 CHAERO C(CN1CCCC1)[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000035013024 171930741 /nfs/dbraw/zinc/93/07/41/171930741.db2.gz NJYPKWBCBYKWSE-MSOLQXFVSA-N 1 0 278.484 3.811 10 0 CHAERO Cc1noc(C)c1C[NH2+][C@H](c1cccs1)C(C)C ZINC000035017412 171934326 /nfs/dbraw/zinc/93/43/26/171934326.db2.gz BJFFTIZXXCOFSK-AWEZNQCLSA-N 1 0 264.394 3.840 10 0 CHAERO Cc1cc(C)c(C[NH2+]CCCOCc2ccco2)cc1C ZINC000035017570 171934361 /nfs/dbraw/zinc/93/43/61/171934361.db2.gz BALLKTVPKVFJOW-UHFFFAOYSA-N 1 0 287.403 3.901 10 0 CHAERO Cc1ccsc1[C@@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000035081650 171966317 /nfs/dbraw/zinc/96/63/17/171966317.db2.gz OPOHEAIFNSCKCJ-HNNXBMFYSA-N 1 0 257.402 3.983 10 0 CHAERO CCC[C@H](C)[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000035161332 172020718 /nfs/dbraw/zinc/02/07/18/172020718.db2.gz OUUREQYLEACXRG-JTQLQIEISA-N 1 0 273.323 3.575 10 0 CHAERO CCCC(CN)(CCC)[N@H+](CC)C1CCCCC1 ZINC000035176718 172030129 /nfs/dbraw/zinc/03/01/29/172030129.db2.gz IJGWMMRXPCNWNB-UHFFFAOYSA-N 1 0 254.462 3.939 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@]1(CN)CCCC[C@@H]1C ZINC000035176748 172030331 /nfs/dbraw/zinc/03/03/31/172030331.db2.gz FVVOFXWQDUDYGR-HOCLYGCPSA-N 1 0 252.446 3.549 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccc(Br)s2)cc1 ZINC000035379625 172162394 /nfs/dbraw/zinc/16/23/94/172162394.db2.gz CSQNXQARSPZBLD-LBPRGKRZSA-N 1 0 298.205 3.567 10 0 CHAERO COc1ccc([C@H]([NH3+])CC2CCCCC2)cc1F ZINC000035424520 172192367 /nfs/dbraw/zinc/19/23/67/172192367.db2.gz OYAAWQNYPRHAJK-CQSZACIVSA-N 1 0 251.345 3.805 10 0 CHAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCCC[C@H]2C)c(F)c1 ZINC000035438995 172203376 /nfs/dbraw/zinc/20/33/76/172203376.db2.gz HPCVUXWXPRNBDE-JTNHKYCSSA-N 1 0 251.345 3.803 10 0 CHAERO C[NH2+][C@H](c1cc(Br)ccc1OC)C1CCC1 ZINC000035456769 172207014 /nfs/dbraw/zinc/20/70/14/172207014.db2.gz IHDVZKKCIZSKRV-ZDUSSCGKSA-N 1 0 284.197 3.518 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2sccc2C)s1 ZINC000035460526 172209282 /nfs/dbraw/zinc/20/92/82/172209282.db2.gz DBSUHAAKWFCMIE-LBPRGKRZSA-N 1 0 251.420 3.989 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(F)cc2F)s1 ZINC000035460941 172210316 /nfs/dbraw/zinc/21/03/16/172210316.db2.gz AREJKHRMWIEKEO-AWEZNQCLSA-N 1 0 267.344 3.898 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000035463703 172211943 /nfs/dbraw/zinc/21/19/43/172211943.db2.gz MBIMUGKETLJEBE-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccccc1 ZINC000035464982 172212677 /nfs/dbraw/zinc/21/26/77/172212677.db2.gz TUHURGQOSKZMEI-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)o1)c1ccc(C)cc1 ZINC000035466051 172213652 /nfs/dbraw/zinc/21/36/52/172213652.db2.gz NVEAAYYCRQIKAA-ZDUSSCGKSA-N 1 0 280.165 3.659 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccc(C)cc1C ZINC000035468165 172217068 /nfs/dbraw/zinc/21/70/68/172217068.db2.gz FVCVXKQKJWXTQS-INIZCTEOSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1cc(F)ccc1F ZINC000035468788 172218669 /nfs/dbraw/zinc/21/86/69/172218669.db2.gz HLEIJSMJVNEQMA-INIZCTEOSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1F)c1cc(C)ccc1C ZINC000035490006 172224512 /nfs/dbraw/zinc/22/45/12/172224512.db2.gz DGAMLOZFTYXXON-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](Cc1cccc(F)c1)c1cc(C)ccc1C ZINC000035489749 172225114 /nfs/dbraw/zinc/22/51/14/172225114.db2.gz BQPJUIBWXZCUFD-QGZVFWFLSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(F)c(F)c1 ZINC000035497612 172231053 /nfs/dbraw/zinc/23/10/53/172231053.db2.gz NJFVXVCZVSMWII-AWEZNQCLSA-N 1 0 267.344 3.952 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(Cl)s1 ZINC000035498542 172232187 /nfs/dbraw/zinc/23/21/87/172232187.db2.gz WWKIYHWGVYZCMZ-LBPRGKRZSA-N 1 0 281.808 3.913 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1ccc(OC(C)C)cc1 ZINC000035498604 172232260 /nfs/dbraw/zinc/23/22/60/172232260.db2.gz FBVFQONMQFEGOW-OAHLLOKOSA-N 1 0 261.390 3.844 10 0 CHAERO C[NH2+][C@@H](C)c1cc(Br)sc1Br ZINC000035502630 172237776 /nfs/dbraw/zinc/23/77/76/172237776.db2.gz PGNAKCHKUHMFJB-BYPYZUCNSA-N 1 0 299.031 3.554 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)c(C)c1)c1ccccc1Cl ZINC000035506153 172239318 /nfs/dbraw/zinc/23/93/18/172239318.db2.gz OOFAUWCJJOFQNY-INIZCTEOSA-N 1 0 275.779 3.966 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@H]1Cc2ccccc2O1 ZINC000035510152 172241646 /nfs/dbraw/zinc/24/16/46/172241646.db2.gz UPCOVEABNRJNCJ-GDBMZVCRSA-N 1 0 273.401 3.711 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)s1)c1cccc(OC)c1 ZINC000035510253 172241683 /nfs/dbraw/zinc/24/16/83/172241683.db2.gz XEYOSYNXCDZXQX-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@@H](c1ccccc1)c1ccccc1OCC ZINC000035540621 172247020 /nfs/dbraw/zinc/24/70/20/172247020.db2.gz XWUXUYJVFKEQLH-KRWDZBQOSA-N 1 0 255.361 3.784 10 0 CHAERO CC[NH2+][C@@H](c1cc2c(s1)CCC2)c1ccccc1 ZINC000035540440 172247247 /nfs/dbraw/zinc/24/72/47/172247247.db2.gz SISKDTQJAPPWSS-MRXNPFEDSA-N 1 0 257.402 3.936 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(OCC)cc1 ZINC000035541192 172249058 /nfs/dbraw/zinc/24/90/58/172249058.db2.gz FECNQFXJPQVBEF-MRXNPFEDSA-N 1 0 259.349 3.686 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc(OC)cc1C ZINC000035542998 172251130 /nfs/dbraw/zinc/25/11/30/172251130.db2.gz GITGZZKBAXHNQJ-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc(OC)cc1OC ZINC000035546052 172254032 /nfs/dbraw/zinc/25/40/32/172254032.db2.gz NECRPDZYWOCAQM-BLLLJJGKSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@H](c1csc2ccccc12)[C@@H]1CCCO1 ZINC000035555271 172261815 /nfs/dbraw/zinc/26/18/15/172261815.db2.gz RSBRQVZAJQBMMV-DZGCQCFKSA-N 1 0 261.390 3.731 10 0 CHAERO CC[NH2+][C@@H](c1cc(OC)c(OC)cc1Cl)[C@H]1C[C@@H]1C ZINC000035557642 172263238 /nfs/dbraw/zinc/26/32/38/172263238.db2.gz VBWQQJLQWJWSAL-AMJWSMQMSA-N 1 0 283.799 3.664 10 0 CHAERO CC[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)[C@@H](C)CC ZINC000035557785 172263876 /nfs/dbraw/zinc/26/38/76/172263876.db2.gz HZZUXRRZUMPHRY-BONVTDFDSA-N 1 0 283.799 3.808 10 0 CHAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000035570323 172265900 /nfs/dbraw/zinc/26/59/00/172265900.db2.gz MRGHQKVBLVAHCC-LBPRGKRZSA-N 1 0 284.190 3.610 10 0 CHAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(OC)cc1 ZINC000035576286 172272947 /nfs/dbraw/zinc/27/29/47/172272947.db2.gz SLCCRRKKHJZOEO-OAHLLOKOSA-N 1 0 261.390 3.846 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(F)c(F)c1 ZINC000035582346 172280574 /nfs/dbraw/zinc/28/05/74/172280574.db2.gz ARMVJKHYQKRFOP-OAHLLOKOSA-N 1 0 265.303 3.955 10 0 CHAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)[C@H](C)CC ZINC000035583911 172282825 /nfs/dbraw/zinc/28/28/25/172282825.db2.gz IDGJKWWGLQQPHJ-ABAIWWIYSA-N 1 0 253.361 3.921 10 0 CHAERO Cc1ccc(OCc2ccccc2C)c([C@@H](C)[NH3+])c1 ZINC000035629436 172309649 /nfs/dbraw/zinc/30/96/49/172309649.db2.gz BNAJOZPDPOVTLY-CQSZACIVSA-N 1 0 255.361 3.902 10 0 CHAERO Cc1ccc(COc2ccc(C)cc2[C@@H](C)[NH3+])cc1 ZINC000035629450 172309713 /nfs/dbraw/zinc/30/97/13/172309713.db2.gz QYHVYVDDDOGIFU-CQSZACIVSA-N 1 0 255.361 3.902 10 0 CHAERO CCC[C@H](C)C(=O)Nc1ccc([C@H](C)[NH2+]CC)cc1 ZINC000035635053 172319346 /nfs/dbraw/zinc/31/93/46/172319346.db2.gz WCHLJBQBPKPXDT-STQMWFEESA-N 1 0 262.397 3.732 10 0 CHAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)CC(C)(C)C ZINC000035643684 172321718 /nfs/dbraw/zinc/32/17/18/172321718.db2.gz SQZBANCVLVHIRD-LBPRGKRZSA-N 1 0 262.397 3.732 10 0 CHAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1cccnc1 ZINC000035661960 172340205 /nfs/dbraw/zinc/34/02/05/172340205.db2.gz VPGZJFCKHZAYJS-UHFFFAOYSA-N 1 0 297.185 3.687 10 0 CHAERO CN(Cc1cccs1)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000035717033 172370765 /nfs/dbraw/zinc/37/07/65/172370765.db2.gz NYRCDBCTBZHCBJ-CQSZACIVSA-N 1 0 280.824 3.533 10 0 CHAERO [NH3+]Cc1ccnc(Oc2cc(Cl)ccc2Cl)c1 ZINC000035719798 172373801 /nfs/dbraw/zinc/37/38/01/172373801.db2.gz UMPCVLJRYCNNNS-UHFFFAOYSA-N 1 0 269.131 3.639 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1ccc(F)c(F)c1 ZINC000035722080 172377653 /nfs/dbraw/zinc/37/76/53/172377653.db2.gz SBKZXIZHFFMXFZ-IINYFYTJSA-N 1 0 271.376 3.965 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1nc2ccccc2[nH]1 ZINC000035723674 172378881 /nfs/dbraw/zinc/37/88/81/172378881.db2.gz WKRXWVRPFXWALU-SMDDNHRTSA-N 1 0 275.421 3.563 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1ccc(F)cc1 ZINC000035723597 172378979 /nfs/dbraw/zinc/37/89/79/172378979.db2.gz JFOQOXNPDIHIDC-FZMZJTMJSA-N 1 0 253.386 3.825 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1ccccc1Cl ZINC000035723436 172378986 /nfs/dbraw/zinc/37/89/86/172378986.db2.gz MHDATJJXPAZZMQ-PWSUYJOCSA-N 1 0 255.814 3.950 10 0 CHAERO [NH3+]Cc1ccc(CSc2cc(F)ccc2F)cc1 ZINC000035724960 172379807 /nfs/dbraw/zinc/37/98/07/172379807.db2.gz UQLLPWFDUCXRQD-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO Cc1nc2c(cc(OCCCC[NH3+])c3ccsc32)s1 ZINC000035726154 172380707 /nfs/dbraw/zinc/38/07/07/172380707.db2.gz HCYKMLTXAIJGCN-UHFFFAOYSA-N 1 0 292.429 3.937 10 0 CHAERO [NH3+]Cc1ccc(F)c(COc2ccc(Cl)cc2)c1 ZINC000035726474 172380808 /nfs/dbraw/zinc/38/08/08/172380808.db2.gz RQTYEBSBOSBSNX-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO CCC[NH2+][C@H]1c2cc3c(cc2SC[C@H]1C)CCC3 ZINC000035761088 172399313 /nfs/dbraw/zinc/39/93/13/172399313.db2.gz HMWPOHMASILDJN-BDJLRTHQSA-N 1 0 261.434 3.958 10 0 CHAERO [NH3+]C[C@H](c1ccc(Cl)s1)N1CCc2sccc2C1 ZINC000036906805 172794975 /nfs/dbraw/zinc/79/49/75/172794975.db2.gz ZAWWHRUBJJUHTQ-SNVBAGLBSA-N 1 0 298.864 3.521 10 0 CHAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000036922059 172804762 /nfs/dbraw/zinc/80/47/62/172804762.db2.gz WDFUXZGPDJJWBQ-UPJWGTAASA-N 1 0 265.397 3.789 10 0 CHAERO CCC[NH2+]CCCOc1cc(C)c(Cl)c(C)c1 ZINC000036988115 172852132 /nfs/dbraw/zinc/85/21/32/172852132.db2.gz XDWMECOGDIGRLU-UHFFFAOYSA-N 1 0 255.789 3.725 10 0 CHAERO CC[C@H]([NH2+][C@@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000037167189 173001610 /nfs/dbraw/zinc/00/16/10/173001610.db2.gz UCUOVVDWDPSOIU-IRXDYDNUSA-N 1 0 262.441 3.704 10 0 CHAERO Brc1ccc2sc(C3CC[NH2+]CC3)nc2c1 ZINC000037205933 173027736 /nfs/dbraw/zinc/02/77/36/173027736.db2.gz OVDWWBBKPNTSFB-UHFFFAOYSA-N 1 0 297.221 3.526 10 0 CHAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1scnc1C ZINC000037217621 173035664 /nfs/dbraw/zinc/03/56/64/173035664.db2.gz LVCPGWSPQVBSDW-ZYHUDNBSSA-N 1 0 276.405 3.872 10 0 CHAERO CCc1ccc([C@H](N)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000037223683 173043588 /nfs/dbraw/zinc/04/35/88/173043588.db2.gz QJUPWPPORIHWHU-RHSMWYFYSA-N 1 0 260.425 3.513 10 0 CHAERO [NH3+]Cc1cc(F)ccc1Oc1ccc(Br)cc1 ZINC000037237644 173055450 /nfs/dbraw/zinc/05/54/50/173055450.db2.gz VAQLKKSNRIYQPP-UHFFFAOYSA-N 1 0 296.139 3.839 10 0 CHAERO Cc1ncsc1[C@@H](C)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000037318380 173118302 /nfs/dbraw/zinc/11/83/02/173118302.db2.gz WGLNYKQBKQFVOK-SECBINFHSA-N 1 0 272.377 3.809 10 0 CHAERO CN(Cc1cccc(F)c1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000037328341 173129327 /nfs/dbraw/zinc/12/93/27/173129327.db2.gz LSNYLJILCAQQCS-GFCCVEGCSA-N 1 0 298.814 3.672 10 0 CHAERO CCc1ccc(C(=O)[C@H](C)[N@H+](C)C2CCCC2)cc1 ZINC000037334815 173134982 /nfs/dbraw/zinc/13/49/82/173134982.db2.gz ORIGGULSPQVCHH-ZDUSSCGKSA-N 1 0 259.393 3.695 10 0 CHAERO Cc1ccc(C(=O)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)C)cc1C ZINC000037339083 173140734 /nfs/dbraw/zinc/14/07/34/173140734.db2.gz WGIHDUASLBKQJU-LSDHHAIUSA-N 1 0 261.409 3.851 10 0 CHAERO [NH3+][C@@H](c1ccc2c(c1)CCCC(=O)N2)C1CCCCC1 ZINC000037371251 173160200 /nfs/dbraw/zinc/16/02/00/173160200.db2.gz GCKUIUUJDIKKMM-QGZVFWFLSA-N 1 0 272.392 3.542 10 0 CHAERO Cc1ccc2c(c1)nc([C@@H]([NH3+])CC(C)C)n2C(C)C ZINC000037438442 173208699 /nfs/dbraw/zinc/20/86/99/173208699.db2.gz CXMCBKXAPYPLQD-ZDUSSCGKSA-N 1 0 259.397 3.972 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@H]1CCCC[NH2+]1 ZINC000037438383 173208936 /nfs/dbraw/zinc/20/89/36/173208936.db2.gz CBVUAMGHBPUENT-CYBMUJFWSA-N 1 0 257.381 3.569 10 0 CHAERO CC(C)C[C@@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439664 173209289 /nfs/dbraw/zinc/20/92/89/173209289.db2.gz PZXFAZSPQLSSPM-GFCCVEGCSA-N 1 0 263.360 3.802 10 0 CHAERO [NH3+][C@@H](Cc1ccc(Br)cc1)C1CCCC1 ZINC000037466261 173226037 /nfs/dbraw/zinc/22/60/37/173226037.db2.gz NKVASLKOMNKECW-ZDUSSCGKSA-N 1 0 268.198 3.509 10 0 CHAERO COc1ccc([C@](C)([NH3+])c2ccccc2Cl)cc1 ZINC000037529727 173252975 /nfs/dbraw/zinc/25/29/75/173252975.db2.gz LLXISDNNBJXGML-HNNXBMFYSA-N 1 0 261.752 3.571 10 0 CHAERO Cc1ccccc1C[C@]1([NH3+])CCCc2ccccc21 ZINC000037530628 173253018 /nfs/dbraw/zinc/25/30/18/173253018.db2.gz IIRAKLPDFSIVQV-GOSISDBHSA-N 1 0 251.373 3.728 10 0 CHAERO Cc1ccccc1C[C@@]1([NH3+])CCCc2ccccc21 ZINC000037530629 173253072 /nfs/dbraw/zinc/25/30/72/173253072.db2.gz IIRAKLPDFSIVQV-SFHVURJKSA-N 1 0 251.373 3.728 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000037533779 173254504 /nfs/dbraw/zinc/25/45/04/173254504.db2.gz NILIFDQABHVIKU-HNNXBMFYSA-N 1 0 290.204 3.562 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1)Cc1cccc(C)c1 ZINC000037535027 173254586 /nfs/dbraw/zinc/25/45/86/173254586.db2.gz OJNUIROPOKXQEP-QGZVFWFLSA-N 1 0 257.352 3.507 10 0 CHAERO COc1cccc([C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000037533844 173254609 /nfs/dbraw/zinc/25/46/09/173254609.db2.gz HDXISPMRLANIEE-CQSZACIVSA-N 1 0 292.176 3.506 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1)Cc1ccccc1Cl ZINC000037534301 173254667 /nfs/dbraw/zinc/25/46/67/173254667.db2.gz KTXHBBCZGHEPCS-HNNXBMFYSA-N 1 0 259.780 3.713 10 0 CHAERO CC[C@H]([NH3+])Cc1ccc(OCc2ccsc2)cc1 ZINC000037724170 173643011 /nfs/dbraw/zinc/64/30/11/173643011.db2.gz IRDFAGNSRRZTOM-AWEZNQCLSA-N 1 0 261.390 3.607 10 0 CHAERO CCCCOc1ccc(Cl)cc1C[C@@H]([NH3+])CC ZINC000037725903 173644656 /nfs/dbraw/zinc/64/46/56/173644656.db2.gz FCGWRKHUNXAKNN-ZDUSSCGKSA-N 1 0 255.789 3.799 10 0 CHAERO CCC[C@H](CCc1cc(F)ccc1Br)[NH2+]C ZINC000038001192 173963824 /nfs/dbraw/zinc/96/38/24/173963824.db2.gz CJRZWCYXOITVPS-GFCCVEGCSA-N 1 0 288.204 3.909 10 0 CHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1cccc(F)c1F ZINC000038004931 173967507 /nfs/dbraw/zinc/96/75/07/173967507.db2.gz FCKQOZDUDPRWTL-NEPJUHHUSA-N 1 0 255.352 3.922 10 0 CHAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCCc3ccccc31)O2 ZINC000038009521 173974792 /nfs/dbraw/zinc/97/47/92/173974792.db2.gz RBLPJUZYVQCZMW-SJLPKXTDSA-N 1 0 279.383 3.657 10 0 CHAERO C[C@H](c1ccccc1F)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032477 174028790 /nfs/dbraw/zinc/02/87/90/174028790.db2.gz VIXSUHRREPRRDL-GFCCVEGCSA-N 1 0 270.351 3.527 10 0 CHAERO C[C@H](CCc1ccccc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032473 174029154 /nfs/dbraw/zinc/02/91/54/174029154.db2.gz HXYBRSIRLMTCHQ-OAHLLOKOSA-N 1 0 280.415 3.648 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2ccc(OC)c(OC)c2)c1 ZINC000038070513 174081395 /nfs/dbraw/zinc/08/13/95/174081395.db2.gz LVMAXPOWOFEBGR-GFCCVEGCSA-N 1 0 271.360 3.651 10 0 CHAERO CC[C@H]([NH3+])c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000038070498 174081647 /nfs/dbraw/zinc/08/16/47/174081647.db2.gz SIHAMLMXSKYUMW-HNNXBMFYSA-N 1 0 271.360 3.781 10 0 CHAERO CC[NH2+]Cc1ccc(F)c(-c2ccc(OC)cc2)c1 ZINC000038070984 174081957 /nfs/dbraw/zinc/08/19/57/174081957.db2.gz SOFISZDRNNCTIX-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO C[NH2+]Cc1ccc(F)c(-c2cc(Cl)ccc2OC)c1 ZINC000038071061 174082176 /nfs/dbraw/zinc/08/21/76/174082176.db2.gz YHSOMGMZCADYFP-UHFFFAOYSA-N 1 0 279.742 3.874 10 0 CHAERO C[NH2+]Cc1cc(-c2c(F)cc(F)cc2F)ccc1F ZINC000038072812 174083234 /nfs/dbraw/zinc/08/32/34/174083234.db2.gz RZVGQLKRCFSWTO-UHFFFAOYSA-N 1 0 269.241 3.629 10 0 CHAERO CC(C)Oc1ccc(-c2cc(C[NH3+])ccc2F)cc1 ZINC000038073453 174083513 /nfs/dbraw/zinc/08/35/13/174083513.db2.gz SNQIEBSRGOIVKA-UHFFFAOYSA-N 1 0 259.324 3.739 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(OC)cc2F)cc1 ZINC000038073774 174084002 /nfs/dbraw/zinc/08/40/02/174084002.db2.gz FICOPJHXBWFNNN-MRXNPFEDSA-N 1 0 259.324 3.911 10 0 CHAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000038095840 174109404 /nfs/dbraw/zinc/10/94/04/174109404.db2.gz DUTWNMRBEZGYDJ-CMPLNLGQSA-N 1 0 271.763 3.699 10 0 CHAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1Br ZINC000038095470 174109736 /nfs/dbraw/zinc/10/97/36/174109736.db2.gz AZHCDGGQGUUMTA-RYUDHWBXSA-N 1 0 298.224 3.669 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1F ZINC000038134289 174132242 /nfs/dbraw/zinc/13/22/42/174132242.db2.gz XYFZERGQUXRWIM-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO Clc1cccc(CN(C2CCC2)[C@H]2CC[NH2+]C2)c1Cl ZINC000038316513 174139545 /nfs/dbraw/zinc/13/95/45/174139545.db2.gz YLZZVBUORFXEGB-ZDUSSCGKSA-N 1 0 299.245 3.710 10 0 CHAERO Cc1nccn1C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000038827585 174156195 /nfs/dbraw/zinc/15/61/95/174156195.db2.gz BWXXBIUNIMYBCU-SFHVURJKSA-N 1 0 277.371 3.559 10 0 CHAERO Cc1cc2[nH]c3c(c2c(Cl)c1)C[C@H]([NH+](C)C)CC3 ZINC000039214064 174166255 /nfs/dbraw/zinc/16/62/55/174166255.db2.gz HWTBFAFJLOEAIO-SNVBAGLBSA-N 1 0 262.784 3.549 10 0 CHAERO C[NH+](C)CCCn1c2ccccc2nc1-c1ccccc1 ZINC000040389660 174252481 /nfs/dbraw/zinc/25/24/81/174252481.db2.gz TWFBVTKWPGNEOZ-UHFFFAOYSA-N 1 0 279.387 3.655 10 0 CHAERO C[NH+](C)CCCn1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040404196 174253859 /nfs/dbraw/zinc/25/38/59/174253859.db2.gz VRKZGGQLPUUQKH-UHFFFAOYSA-N 1 0 293.842 3.939 10 0 CHAERO CC(C)n1c2cc(Cl)ccc2nc1[C@H]1CCC[NH2+]1 ZINC000040417424 174256138 /nfs/dbraw/zinc/25/61/38/174256138.db2.gz NWIBBSIULKQYKU-GFCCVEGCSA-N 1 0 263.772 3.695 10 0 CHAERO C[C@H]([NH3+])c1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417903 174256588 /nfs/dbraw/zinc/25/65/88/174256588.db2.gz HIPPJVZKWGYUAA-NSHDSACASA-N 1 0 285.778 3.758 10 0 CHAERO CC[C@H](C)[C@H](C)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000042557702 174794444 /nfs/dbraw/zinc/79/44/44/174794444.db2.gz WWYRPAZVOXNWAI-IUCAKERBSA-N 1 0 251.761 3.879 10 0 CHAERO Cc1ccc([C@@H](OCc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000042910330 174909674 /nfs/dbraw/zinc/90/96/74/174909674.db2.gz HJEQPZJJVZQLRX-PBHICJAKSA-N 1 0 255.361 3.600 10 0 CHAERO Cc1ccc([C@@H](SCc2ccco2)[C@@H](C)[NH3+])cc1 ZINC000042912177 174910578 /nfs/dbraw/zinc/91/05/78/174910578.db2.gz JBANTILSKVSSPC-DOMZBBRYSA-N 1 0 261.390 3.910 10 0 CHAERO Cc1ccc([C@H](OCCc2cccs2)[C@@H](C)[NH3+])cc1 ZINC000042911765 174910730 /nfs/dbraw/zinc/91/07/30/174910730.db2.gz ZVPSNUGLQPPOAW-CZUORRHYSA-N 1 0 275.417 3.704 10 0 CHAERO Cc1cccc([C@@H](C[NH3+])Oc2ccc(C)c(C)c2)c1 ZINC000042968078 174932486 /nfs/dbraw/zinc/93/24/86/174932486.db2.gz CPJDSWYVLZTVSB-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO CCCCS[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043032676 174949272 /nfs/dbraw/zinc/94/92/72/174949272.db2.gz OUBRKLHAIIUWIK-BXUZGUMPSA-N 1 0 253.411 3.617 10 0 CHAERO Cc1cccc(O[C@@H](c2ccccc2C)[C@H](C)[NH3+])c1 ZINC000043038642 174952932 /nfs/dbraw/zinc/95/29/32/174952932.db2.gz XKOGWZZIMDQCNY-WMLDXEAASA-N 1 0 255.361 3.771 10 0 CHAERO C[C@H]([NH3+])[C@@H](OC1CCCCC1)c1ccccc1F ZINC000043046468 174956632 /nfs/dbraw/zinc/95/66/32/174956632.db2.gz FFPDFDVNVOMSRW-XHDPSFHLSA-N 1 0 251.345 3.563 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](SCC(C)C)c1ccccc1F ZINC000043049817 174958301 /nfs/dbraw/zinc/95/83/01/174958301.db2.gz BVKRIXNJGOVMTH-KGLIPLIRSA-N 1 0 255.402 3.993 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc(C)s1)c1ccccc1F ZINC000043050189 174958371 /nfs/dbraw/zinc/95/83/71/174958371.db2.gz OQAJFIJBQBDGOV-NEPJUHHUSA-N 1 0 297.424 3.556 10 0 CHAERO C[C@H]([NH3+])[C@H](Sc1ccccn1)c1ccccc1Cl ZINC000043089241 174963750 /nfs/dbraw/zinc/96/37/50/174963750.db2.gz JNNFEEMPQCRUPX-HZMBPMFUSA-N 1 0 278.808 3.916 10 0 CHAERO COc1ccccc1[C@@H](C[NH3+])Sc1ccccc1F ZINC000043100846 174967502 /nfs/dbraw/zinc/96/75/02/174967502.db2.gz JTJZQZOJMHIQCL-OAHLLOKOSA-N 1 0 277.364 3.626 10 0 CHAERO CCOc1ccccc1O[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043107974 174972869 /nfs/dbraw/zinc/97/28/69/174972869.db2.gz NKHULEWLDZGEOR-IAQYHMDHSA-N 1 0 277.389 3.614 10 0 CHAERO CC[C@H]([NH3+])[C@H](OCCc1cccs1)c1cccs1 ZINC000043112261 174974521 /nfs/dbraw/zinc/97/45/21/174974521.db2.gz XFXOSIRKHUWRBC-JSGCOSHPSA-N 1 0 281.446 3.847 10 0 CHAERO FC(F)(F)c1cnc(SC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000043497408 175058112 /nfs/dbraw/zinc/05/81/12/175058112.db2.gz YCWOKIRFPVJUCW-MRVPVSSYSA-N 1 0 296.745 3.598 10 0 CHAERO CCc1ccc([C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121782 175143123 /nfs/dbraw/zinc/14/31/23/175143123.db2.gz MZZKKHLYXMKTQV-ZQIUZPCESA-N 1 0 261.409 3.545 10 0 CHAERO CCCOc1ccc([C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121843 175143244 /nfs/dbraw/zinc/14/32/44/175143244.db2.gz NEEWLURPUDEZLZ-RVKKMQEKSA-N 1 0 291.435 3.772 10 0 CHAERO C[C@@H]([NH3+])c1csc(-c2ccccc2Br)n1 ZINC000070840436 176008408 /nfs/dbraw/zinc/00/84/08/176008408.db2.gz OTEVNULWQMUQPB-SSDOTTSWSA-N 1 0 283.194 3.592 10 0 CHAERO CC(C)Oc1ccc(/C=C/CCC[NH3+])cc1Cl ZINC000071575243 176202451 /nfs/dbraw/zinc/20/24/51/176202451.db2.gz BZWZOLVEHPAVAU-GQCTYLIASA-N 1 0 253.773 3.879 10 0 CHAERO COc1cc(Cl)c(CCCCC[NH3+])cc1Cl ZINC000071588390 176216515 /nfs/dbraw/zinc/21/65/15/176216515.db2.gz JLSHFUYDKGHRPT-UHFFFAOYSA-N 1 0 262.180 3.674 10 0 CHAERO Clc1ccc(SC[C@H]2CCC[NH2+]2)cc1Cl ZINC000071588409 176216563 /nfs/dbraw/zinc/21/65/63/176216563.db2.gz CREUCQPSYGQHIZ-MRVPVSSYSA-N 1 0 262.205 3.838 10 0 CHAERO CC(C)Oc1ccc([C@@H](CC[NH3+])C2CC2)cc1Cl ZINC000071599491 176224671 /nfs/dbraw/zinc/22/46/71/176224671.db2.gz HLJINBPTPMMOAP-ZDUSSCGKSA-N 1 0 267.800 3.970 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2Cc1ccc(F)cc1 ZINC000071653315 176241933 /nfs/dbraw/zinc/24/19/33/176241933.db2.gz MAHRPNYINMJLJQ-GOSISDBHSA-N 1 0 299.389 3.999 10 0 CHAERO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(N)c1-3 ZINC000072178423 176334888 /nfs/dbraw/zinc/33/48/88/176334888.db2.gz LKVRAIZDZUXRII-QGZVFWFLSA-N 1 0 278.399 3.801 10 0 CHAERO FC(F)(F)c1ccc(-c2cnc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000072363369 176377853 /nfs/dbraw/zinc/37/78/53/176377853.db2.gz GVRTYUCUVNBLJP-GFCCVEGCSA-N 1 0 293.292 3.587 10 0 CHAERO O[C@@H](c1ccc(C2CCCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000074369765 176533654 /nfs/dbraw/zinc/53/36/54/176533654.db2.gz UCIJLBGYTFNQPX-ROUUACIJSA-N 1 0 273.420 3.910 10 0 CHAERO CCCCc1ccc([C@@H](C[NH3+])c2ccccn2)cc1 ZINC000076658306 177046944 /nfs/dbraw/zinc/04/69/44/177046944.db2.gz RVKRHXQYPQJSMY-MRXNPFEDSA-N 1 0 254.377 3.515 10 0 CHAERO CCCc1ccc([C@H](CC[NH3+])c2ccncc2)cc1 ZINC000076658429 177047473 /nfs/dbraw/zinc/04/74/73/177047473.db2.gz ZZHCFWMRUAAOFZ-KRWDZBQOSA-N 1 0 254.377 3.515 10 0 CHAERO Cc1ccc([C@H](C[NH3+])CCOc2ccccc2)cc1 ZINC000076660222 177048312 /nfs/dbraw/zinc/04/83/12/177048312.db2.gz GHUHUPBUVLBICW-INIZCTEOSA-N 1 0 255.361 3.506 10 0 CHAERO CCOc1ccc([C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000076661442 177049314 /nfs/dbraw/zinc/04/93/14/177049314.db2.gz VOEHFORCCLEIQB-GFCCVEGCSA-N 1 0 255.789 3.827 10 0 CHAERO Cc1ccc([C@H](CC[NH3+])CCc2ccco2)c(C)c1 ZINC000076664951 177050348 /nfs/dbraw/zinc/05/03/48/177050348.db2.gz HGJMVOXDEADOLO-HNNXBMFYSA-N 1 0 257.377 3.962 10 0 CHAERO CCSc1ccc([C@@H](CC[NH3+])c2ccco2)cc1 ZINC000076673104 177054619 /nfs/dbraw/zinc/05/46/19/177054619.db2.gz NLUCRFDZNBHQKF-CQSZACIVSA-N 1 0 261.390 3.872 10 0 CHAERO CCOc1ccc([C@H](CC[NH3+])C2CCC2)cc1Cl ZINC000076705017 177064637 /nfs/dbraw/zinc/06/46/37/177064637.db2.gz YQVLHDFJGQKXTJ-CYBMUJFWSA-N 1 0 267.800 3.971 10 0 CHAERO CCc1cccc(C)c1N(CC[NH3+])Cc1cccs1 ZINC000076721737 177070055 /nfs/dbraw/zinc/07/00/55/177070055.db2.gz XTNVWWIPBGWLNT-UHFFFAOYSA-N 1 0 274.433 3.584 10 0 CHAERO CCC[NH2+][C@@H](C)c1csc(-c2ccc(OC)cc2)n1 ZINC000076784373 177092026 /nfs/dbraw/zinc/09/20/26/177092026.db2.gz HBVRCMADPIBGOZ-NSHDSACASA-N 1 0 276.405 3.879 10 0 CHAERO CCCOc1cccc(-c2nc([C@@H](C)[NH2+]C)cs2)c1 ZINC000076784872 177092357 /nfs/dbraw/zinc/09/23/57/177092357.db2.gz FRJVUZKALABPTL-LLVKDONJSA-N 1 0 276.405 3.879 10 0 CHAERO C[NH+](C)Cc1cccc(N[C@@H]2CCc3ccccc32)c1 ZINC000036979900 260060381 /nfs/dbraw/zinc/06/03/81/260060381.db2.gz XQNHXWCXSRJJOZ-GOSISDBHSA-N 1 0 266.388 3.848 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2cncn2C(C)C)c(C)c1 ZINC000090208553 260239156 /nfs/dbraw/zinc/23/91/56/260239156.db2.gz HXHSDZJCHTZDOV-HNNXBMFYSA-N 1 0 271.408 3.932 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)c1 ZINC000091013078 260264480 /nfs/dbraw/zinc/26/44/80/260264480.db2.gz CSRFXRHHTRWYIL-ZDUSSCGKSA-N 1 0 260.381 3.959 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092195303 260269188 /nfs/dbraw/zinc/26/91/88/260269188.db2.gz IQXKOMGDVPNQJM-QWHCGFSZSA-N 1 0 258.340 3.941 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC2C(C)(C)C2(C)C)c1C ZINC000092815174 260271982 /nfs/dbraw/zinc/27/19/82/260271982.db2.gz JTRGCCIQSYPKCR-NSHDSACASA-N 1 0 277.456 3.853 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1cccc(Cl)c1 ZINC000040502211 260285447 /nfs/dbraw/zinc/28/54/47/260285447.db2.gz UYRGJSREFPIZBL-HOTGVXAUSA-N 1 0 280.843 3.865 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000090175327 260336439 /nfs/dbraw/zinc/33/64/39/260336439.db2.gz GRJDJMAYTUTEGS-YWPYICTPSA-N 1 0 263.381 3.543 10 0 CHAERO CSCC1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000449301331 260379568 /nfs/dbraw/zinc/37/95/68/260379568.db2.gz GZFQDFPDNMOICL-ILGZHXLLSA-N 1 0 285.497 3.701 10 0 CHAERO C[C@@H](C(=O)Nc1cccc(Cl)c1)[C@H]([NH3+])c1ccccc1 ZINC000130058998 260392272 /nfs/dbraw/zinc/39/22/72/260392272.db2.gz YCGVQNKZECLDSJ-ABAIWWIYSA-N 1 0 288.778 3.615 10 0 CHAERO CCCCN(CCCC)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130124938 260393909 /nfs/dbraw/zinc/39/39/09/260393909.db2.gz CJUXXFGANMMKGK-DOTOQJQBSA-N 1 0 290.451 3.751 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(Br)ccc1F ZINC000168976887 260913939 /nfs/dbraw/zinc/91/39/39/260913939.db2.gz ORLMEETVLIZWMK-RGNHYFCHSA-N 1 0 272.161 3.647 10 0 CHAERO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000150836553 260974290 /nfs/dbraw/zinc/97/42/90/260974290.db2.gz YVUZVEYSMXMZDB-OAHLLOKOSA-N 1 0 286.419 3.911 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(C)cc1 ZINC000300409949 261199023 /nfs/dbraw/zinc/19/90/23/261199023.db2.gz CRJOPHICWXLKTM-YESZJQIVSA-N 1 0 261.409 3.587 10 0 CHAERO CCCCC[N@H+](Cc1nc(-c2ccoc2)no1)C(C)C ZINC000105608014 261311502 /nfs/dbraw/zinc/31/15/02/261311502.db2.gz VSRMEFRDJQNZCF-UHFFFAOYSA-N 1 0 277.368 3.730 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000309824862 262028796 /nfs/dbraw/zinc/02/87/96/262028796.db2.gz XDMLACFRWAMTCT-FZQKWOKYSA-N 1 0 280.209 3.825 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(C)CCCC2)c1C ZINC000108941322 262074118 /nfs/dbraw/zinc/07/41/18/262074118.db2.gz PMIFULRMIWACNB-GFCCVEGCSA-N 1 0 263.429 3.751 10 0 CHAERO Cc1nn(C)cc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000119315997 262159372 /nfs/dbraw/zinc/15/93/72/262159372.db2.gz QUPUGBBVLQFKIC-KRWDZBQOSA-N 1 0 283.419 3.532 10 0 CHAERO CN(C)C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000120438464 262195142 /nfs/dbraw/zinc/19/51/42/262195142.db2.gz OQQRPUXMKTXEFR-VQTJNVASSA-N 1 0 294.442 3.957 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccccc1 ZINC000390576122 262221881 /nfs/dbraw/zinc/22/18/81/262221881.db2.gz FQOZRVCAMQTQIH-JKSUJKDBSA-N 1 0 269.388 3.943 10 0 CHAERO Cc1ccc(C)c(C[NH2+][C@H](C)COCc2ccccc2)c1 ZINC000390591972 262225277 /nfs/dbraw/zinc/22/52/77/262225277.db2.gz QLCUVJYJFQNTEH-QGZVFWFLSA-N 1 0 283.415 3.998 10 0 CHAERO CC(C)CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000020549342 262249242 /nfs/dbraw/zinc/24/92/42/262249242.db2.gz PZQUGNNDJZIKJZ-QAPCUYQASA-N 1 0 291.435 3.769 10 0 CHAERO CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1Cl ZINC000188389939 262293488 /nfs/dbraw/zinc/29/34/88/262293488.db2.gz VLJBRBFRDCLLEE-WFASDCNBSA-N 1 0 297.826 3.784 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000221830270 262301385 /nfs/dbraw/zinc/30/13/85/262301385.db2.gz ZAEOJAYOBWJASL-QXSJWSMHSA-N 1 0 253.430 3.606 10 0 CHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000186937502 262330984 /nfs/dbraw/zinc/33/09/84/262330984.db2.gz MFUPIIXOQKVVOT-DTWKUNHWSA-N 1 0 289.192 3.678 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000021512125 262389636 /nfs/dbraw/zinc/38/96/36/262389636.db2.gz VFCOAWBLPAJGIJ-DAYGRLMNSA-N 1 0 291.435 3.940 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000293742586 263148721 /nfs/dbraw/zinc/14/87/21/263148721.db2.gz HUFAOJCUKCQDAU-DLTWYDFYSA-N 1 0 261.409 3.910 10 0 CHAERO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000226581803 263194930 /nfs/dbraw/zinc/19/49/30/263194930.db2.gz WFFMTTOXRWMXPG-SQWLQELKSA-N 1 0 277.408 3.692 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]1C)CCCS2 ZINC000187954433 263508983 /nfs/dbraw/zinc/50/89/83/263508983.db2.gz WHBKPPIBVKJRMQ-GDLCADMTSA-N 1 0 263.406 3.620 10 0 CHAERO CC1(C)C[C@@H]([NH2+]C[C@H]2CCC=CO2)c2ccccc2O1 ZINC000188577186 264224411 /nfs/dbraw/zinc/22/44/11/264224411.db2.gz JNVMLJBPXNTYTN-UKRRQHHQSA-N 1 0 273.376 3.571 10 0 CHAERO C[C@@H](NC(=O)CCCCCC[NH3+])[C@@H](C)C1CCCCC1 ZINC000161586169 264289682 /nfs/dbraw/zinc/28/96/82/264289682.db2.gz RIDBKWMNKDYMHK-HUUCEWRRSA-N 1 0 282.472 3.617 10 0 CHAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956659 264338093 /nfs/dbraw/zinc/33/80/93/264338093.db2.gz ZMNVTASBGXTFSF-IRXDYDNUSA-N 1 0 288.435 3.560 10 0 CHAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000362912701 267059824 /nfs/dbraw/zinc/05/98/24/267059824.db2.gz IGQJGPSESVKYRW-HNNXBMFYSA-N 1 0 257.377 3.823 10 0 CHAERO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000040773648 328018079 /nfs/dbraw/zinc/01/80/79/328018079.db2.gz KMGVEAGYJHXZDK-ZBFHGGJFSA-N 1 0 271.404 3.897 10 0 CHAERO Fc1ccc(CC[N@@H+]2CCC[C@@H]2c2ccco2)cc1F ZINC000152094435 328065178 /nfs/dbraw/zinc/06/51/78/328065178.db2.gz XKLFUPJARBMVMN-OAHLLOKOSA-N 1 0 277.314 3.937 10 0 CHAERO CC[C@H](C)Oc1cccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000571275611 328097321 /nfs/dbraw/zinc/09/73/21/328097321.db2.gz RSNLRNSAOKOUHM-RRFJBIMHSA-N 1 0 276.424 3.664 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1cscn1 ZINC000111627076 328371149 /nfs/dbraw/zinc/37/11/49/328371149.db2.gz MVVFBIAWVQLWCE-VHDGCEQUSA-N 1 0 266.454 3.736 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCC12CCCC2 ZINC000474051929 328431921 /nfs/dbraw/zinc/43/19/21/328431921.db2.gz DTERJZQZJJNEPA-WBVHZDCISA-N 1 0 273.420 3.904 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000252709404 327029678 /nfs/dbraw/zinc/02/96/78/327029678.db2.gz CUSHFUXKCNJMKC-PNZRWIHMSA-N 1 0 280.209 3.995 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000090175499 327031834 /nfs/dbraw/zinc/03/18/34/327031834.db2.gz YWUNTXVGAQDZGF-LXZKKBNFSA-N 1 0 269.392 3.712 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(Cl)cc1 ZINC000159987615 327584393 /nfs/dbraw/zinc/58/43/93/327584393.db2.gz YZUBHRZIFKBTAE-NILFDRSVSA-N 1 0 267.800 3.684 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000300410645 332814327 /nfs/dbraw/zinc/81/43/27/332814327.db2.gz JFGJFEKSDSONBE-NQNKBUKLSA-N 1 0 267.457 3.588 10 0 CHAERO C=Cn1cc(CN2CCCC[C@@H]2c2ccc(CC)o2)cn1 ZINC000193971350 329064114 /nfs/dbraw/zinc/06/41/14/329064114.db2.gz JYANZOVBTJTVII-MRXNPFEDSA-N 1 0 285.391 3.866 10 0 CHAERO CCc1csc([C@H]2CCC[N@H+](CCCSC)C2)n1 ZINC000173603404 329149779 /nfs/dbraw/zinc/14/97/79/329149779.db2.gz KVHDZAQQUMHTAQ-LBPRGKRZSA-N 1 0 284.494 3.638 10 0 CHAERO CC(C)[C@H](C)CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177231767 329182319 /nfs/dbraw/zinc/18/23/19/329182319.db2.gz ZOPZCRUQSKHYJE-OAHLLOKOSA-N 1 0 294.483 3.582 10 0 CHAERO C[C@@H](CC1CCCCC1)C[NH+]1CCC(n2cncn2)CC1 ZINC000183308500 329249165 /nfs/dbraw/zinc/24/91/65/329249165.db2.gz LNSFYUZRAPIYPA-HNNXBMFYSA-N 1 0 290.455 3.522 10 0 CHAERO FC(F)c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000183933092 329254732 /nfs/dbraw/zinc/25/47/32/329254732.db2.gz KRRPEWRLAPOVHO-UHFFFAOYSA-N 1 0 291.345 3.727 10 0 CHAERO NC(=[NH2+])SCc1nc(-c2ccccc2Cl)cs1 ZINC000186862096 329350826 /nfs/dbraw/zinc/35/08/26/329350826.db2.gz IVSQLXMCIRKYLQ-UHFFFAOYSA-N 1 0 283.809 3.590 10 0 CHAERO C[C@H](CN1CCC[N@@H+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000187085678 329353926 /nfs/dbraw/zinc/35/39/26/329353926.db2.gz QJQJUPRSPSWKND-CQSZACIVSA-N 1 0 292.854 3.614 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc(F)c1 ZINC000188949054 329375941 /nfs/dbraw/zinc/37/59/41/329375941.db2.gz GSOGDSNSHVMLOA-INIZCTEOSA-N 1 0 271.335 3.748 10 0 CHAERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000125993973 329588942 /nfs/dbraw/zinc/58/89/42/329588942.db2.gz RKWFJELJCATWQY-KBPBESRZSA-N 1 0 290.451 3.773 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1OC ZINC000247143531 329876659 /nfs/dbraw/zinc/87/66/59/329876659.db2.gz QZPQHYPUEONLQI-HPFXQQBRSA-N 1 0 289.419 3.694 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)C(C)(C)c1ccccc1 ZINC000248817982 329899876 /nfs/dbraw/zinc/89/98/76/329899876.db2.gz LDMNDAWZMUCQHH-BMGDILEWSA-N 1 0 287.447 3.900 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248852844 329900752 /nfs/dbraw/zinc/90/07/52/329900752.db2.gz OYYKCQHGJKUQMI-RRQGHBQHSA-N 1 0 259.393 3.603 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248852840 329900806 /nfs/dbraw/zinc/90/08/06/329900806.db2.gz OYYKCQHGJKUQMI-IAOVAPTHSA-N 1 0 259.393 3.603 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc2ccccc2n1 ZINC000252696370 329944991 /nfs/dbraw/zinc/94/49/91/329944991.db2.gz ZIWDMDMAMHOPRY-GGBBIFEXSA-N 1 0 296.414 3.699 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000252716144 329945620 /nfs/dbraw/zinc/94/56/20/329945620.db2.gz XSAWSKAEKJHUQE-JFUSQASVSA-N 1 0 298.249 3.984 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)CC(F)(F)F)c1C ZINC000396932821 330231683 /nfs/dbraw/zinc/23/16/83/330231683.db2.gz BDYHDJNAVFTKCA-ZJUUUORDSA-N 1 0 291.361 3.759 10 0 CHAERO Cc1ccccc1[C@H](NCCC[NH+](C)C)c1ccccc1 ZINC000105689709 330327961 /nfs/dbraw/zinc/32/79/61/330327961.db2.gz BIPIABRNRKFERM-LJQANCHMSA-N 1 0 282.431 3.626 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000105689671 330327969 /nfs/dbraw/zinc/32/79/69/330327969.db2.gz CYDNTOHBKOJUAA-PKOBYXMFSA-N 1 0 281.399 3.853 10 0 CHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000212775661 330367270 /nfs/dbraw/zinc/36/72/70/330367270.db2.gz PGXQYKSNDBNKJU-WCQYABFASA-N 1 0 284.806 3.614 10 0 CHAERO CC(C)n1ccc([C@H]2[NH2+]CC23CCC(F)(F)CC3)c1 ZINC000536960702 330384256 /nfs/dbraw/zinc/38/42/56/330384256.db2.gz STZPRDLWDDHQDY-CYBMUJFWSA-N 1 0 268.351 3.909 10 0 CHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000089670589 330386992 /nfs/dbraw/zinc/38/69/92/330386992.db2.gz FIZNYGDWIBAFQG-GMXVVIOVSA-N 1 0 265.401 3.668 10 0 CHAERO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H]2C)cnn1-c1cccc(Cl)c1 ZINC000120412525 330388654 /nfs/dbraw/zinc/38/86/54/330388654.db2.gz DUUKSUPWKPTKJD-MMPTUQATSA-N 1 0 289.810 3.893 10 0 CHAERO CC(C)c1nc([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cs1 ZINC000090048453 330390002 /nfs/dbraw/zinc/39/00/02/330390002.db2.gz MEANWLOJAUKXRJ-RDBSUJKOSA-N 1 0 295.496 3.646 10 0 CHAERO C/C(=C/c1ccccc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000122092799 330411763 /nfs/dbraw/zinc/41/17/63/330411763.db2.gz CJLFVUTWFSSUAU-VKAVYKQESA-N 1 0 295.430 3.699 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)c(C)c1 ZINC000085972734 330493136 /nfs/dbraw/zinc/49/31/36/330493136.db2.gz BEEBLELMGCGAFB-ZOBUZTSGSA-N 1 0 261.409 3.505 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000085975311 330493177 /nfs/dbraw/zinc/49/31/77/330493177.db2.gz ZLRLKPGUYYACCN-RKHAHWSXSA-N 1 0 293.838 3.727 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCC23CCC3)C[C@H](C)O1 ZINC000449305797 330913477 /nfs/dbraw/zinc/91/34/77/330913477.db2.gz UEYIPMVUCPIXRN-XGUBFFRZSA-N 1 0 251.414 3.502 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)CC2 ZINC000163848319 331134598 /nfs/dbraw/zinc/13/45/98/331134598.db2.gz XNHDAEWMODBXKS-WOJBJXKFSA-N 1 0 294.442 3.875 10 0 CHAERO CC[C@H](CCO)[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000166093299 331306561 /nfs/dbraw/zinc/30/65/61/331306561.db2.gz BECVCGDBTLFJTQ-IEBWSBKVSA-N 1 0 283.415 3.835 10 0 CHAERO CC[C@@H]1CCC[C@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000466407174 331395419 /nfs/dbraw/zinc/39/54/19/331395419.db2.gz ABAKCJGGIWRBCO-KQTLUZQSSA-N 1 0 253.430 3.748 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2Cl)C[C@H](C)O1 ZINC000466424905 331396563 /nfs/dbraw/zinc/39/65/63/331396563.db2.gz JWPZZCZHAORNOF-CLLJXQQHSA-N 1 0 267.800 3.633 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000466426720 331396696 /nfs/dbraw/zinc/39/66/96/331396696.db2.gz SEBJJWQBNIRUBA-WGGGBPLMSA-N 1 0 253.430 3.604 10 0 CHAERO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000467437356 331419199 /nfs/dbraw/zinc/41/91/99/331419199.db2.gz HKVCWYILWCAKNF-FVCCEPFGSA-N 1 0 281.362 3.901 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCc2ccc(Br)cc21)C1CC1 ZINC000304244000 332968395 /nfs/dbraw/zinc/96/83/95/332968395.db2.gz OPLOHMPDSXPXPX-OTYXRUKQSA-N 1 0 280.209 3.825 10 0 CHAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000178064109 333067358 /nfs/dbraw/zinc/06/73/58/333067358.db2.gz NJTBAPWOCFPDHZ-HZPDHXFCSA-N 1 0 299.414 3.951 10 0 CHAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)COCc2ccccc2)c1 ZINC000184371160 333127535 /nfs/dbraw/zinc/12/75/35/333127535.db2.gz JWOVDHVAUZBFOI-HOTGVXAUSA-N 1 0 284.403 3.646 10 0 CHAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cc(F)ccc1Cl)CC2 ZINC000218946423 333139084 /nfs/dbraw/zinc/13/90/84/333139084.db2.gz YBVZCZAEPKRSPB-XJKSGUPXSA-N 1 0 297.801 3.606 10 0 CHAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000219003558 333139917 /nfs/dbraw/zinc/13/99/17/333139917.db2.gz ZVGVBHGTYRSVCI-YPMHNXCESA-N 1 0 288.218 3.634 10 0 CHAERO CCO[C@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)C12CCOCC2 ZINC000186356700 333159231 /nfs/dbraw/zinc/15/92/31/333159231.db2.gz IVHXHWFSJARTBO-CVEARBPZSA-N 1 0 295.467 3.519 10 0 CHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000220808887 333169498 /nfs/dbraw/zinc/16/94/98/333169498.db2.gz QDANHBWPDJFSLS-PBHICJAKSA-N 1 0 273.420 3.716 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000220867037 333169963 /nfs/dbraw/zinc/16/99/63/333169963.db2.gz LSZFAULWBHLFMO-HBNTYKKESA-N 1 0 276.302 3.755 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000222244012 333178416 /nfs/dbraw/zinc/17/84/16/333178416.db2.gz AIWIULVTGSARGM-HUUCEWRRSA-N 1 0 267.457 3.998 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000223254946 333206124 /nfs/dbraw/zinc/20/61/24/333206124.db2.gz CNARVCNUNSVFNU-DLBZAZTESA-N 1 0 275.436 3.873 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000223869290 333212753 /nfs/dbraw/zinc/21/27/53/333212753.db2.gz KPPMYTAASKKRIL-KBMXLJTQSA-N 1 0 281.827 3.932 10 0 CHAERO CCC[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000224364090 333219763 /nfs/dbraw/zinc/21/97/63/333219763.db2.gz LZZBWFAHUGOMOD-PMPSAXMXSA-N 1 0 269.473 3.980 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000224862493 333226809 /nfs/dbraw/zinc/22/68/09/333226809.db2.gz ZRYSPJLSNKRZPO-KBAYOESNSA-N 1 0 273.420 3.595 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1F ZINC000227569067 333285965 /nfs/dbraw/zinc/28/59/65/333285965.db2.gz ARKCQDCBULEMAQ-JLJPHGGASA-N 1 0 279.399 3.988 10 0 CHAERO CSC1(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000228021457 333292597 /nfs/dbraw/zinc/29/25/97/333292597.db2.gz DWWRROQVZNYZSI-CYBMUJFWSA-N 1 0 277.433 3.774 10 0 CHAERO CCN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000229189939 333301249 /nfs/dbraw/zinc/30/12/49/333301249.db2.gz UIDXIBCEQITNTQ-ZDUSSCGKSA-N 1 0 287.234 3.567 10 0 CHAERO CCCCCN(C(=O)CC1(C[NH3+])CCCCC1)C(C)C ZINC000229402008 333304550 /nfs/dbraw/zinc/30/45/50/333304550.db2.gz GIZRFKVATMEYLG-UHFFFAOYSA-N 1 0 282.472 3.713 10 0 CHAERO CC(C)c1ccccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250472689 333305480 /nfs/dbraw/zinc/30/54/80/333305480.db2.gz RCRSDFWNTDOBIH-CABCVRRESA-N 1 0 258.409 3.849 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1nc2ccccc2n1CCC ZINC000231674634 333327528 /nfs/dbraw/zinc/32/75/28/333327528.db2.gz FSJYKZKPELLRAX-UKRRQHHQSA-N 1 0 271.408 3.725 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CCCC1 ZINC000235542317 333370757 /nfs/dbraw/zinc/37/07/57/333370757.db2.gz JICTTXWVHRBSOF-SJCJKPOMSA-N 1 0 259.393 3.938 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037166850 333506748 /nfs/dbraw/zinc/50/67/48/333506748.db2.gz RLTALZZXLMGALN-GXTWGEPZSA-N 1 0 284.394 3.592 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)C(C)C ZINC000037301669 333531531 /nfs/dbraw/zinc/53/15/31/333531531.db2.gz ISSMNNHIMZWRSX-DOMZBBRYSA-N 1 0 265.397 3.789 10 0 CHAERO Cc1ccc(C2CC([NH2+][C@@H]3COc4ccccc43)C2)cc1 ZINC000070529421 333814797 /nfs/dbraw/zinc/81/47/97/333814797.db2.gz RWOMPDIIXNJYLX-LEOMRAHMSA-N 1 0 279.383 3.964 10 0 CHAERO CCc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)s1 ZINC000545960117 334009072 /nfs/dbraw/zinc/00/90/72/334009072.db2.gz RRBMEDWWZRWALZ-VXGBXAGGSA-N 1 0 267.438 3.604 10 0 CHAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000135144555 334117552 /nfs/dbraw/zinc/11/75/52/334117552.db2.gz ZLNZIIFUROXOSS-GXTWGEPZSA-N 1 0 285.362 3.825 10 0 CHAERO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424313 334129320 /nfs/dbraw/zinc/12/93/20/334129320.db2.gz VTXFSNGSRWRDCW-JWMHWRSXSA-N 1 0 266.473 3.508 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccc1F ZINC000135636484 334135001 /nfs/dbraw/zinc/13/50/01/334135001.db2.gz DAEUGAHWQKDZQQ-JYJNAYRXSA-N 1 0 265.372 3.560 10 0 CHAERO CC[C@@H]1CC[C@H](Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000080453030 334171709 /nfs/dbraw/zinc/17/17/09/334171709.db2.gz ZEEDCEQUQHQMOS-ZBFHGGJFSA-N 1 0 276.424 3.618 10 0 CHAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247118903 334275945 /nfs/dbraw/zinc/27/59/45/334275945.db2.gz AIUBQZJUZUBKTQ-IFIJOSMWSA-N 1 0 295.373 3.653 10 0 CHAERO CSc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246908697 334271537 /nfs/dbraw/zinc/27/15/37/334271537.db2.gz FTCUUQCFGYTAJZ-JKIFEVAISA-N 1 0 292.492 3.788 10 0 CHAERO CSc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247973187 334292600 /nfs/dbraw/zinc/29/26/00/334292600.db2.gz KADPSFQUYNOVNX-RDJZCZTQSA-N 1 0 291.460 3.536 10 0 CHAERO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247998123 334293235 /nfs/dbraw/zinc/29/32/35/334293235.db2.gz KBEBOAQRMLWNKB-CPUCHLNUSA-N 1 0 277.383 3.514 10 0 CHAERO Cc1noc(C)c1CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000248150294 334296017 /nfs/dbraw/zinc/29/60/17/334296017.db2.gz QSFFRYHSWVRDRT-YLQAJVPDSA-N 1 0 278.440 3.884 10 0 CHAERO COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000248163226 334296268 /nfs/dbraw/zinc/29/62/68/334296268.db2.gz SMVMWPKRULGJKU-YWPYICTPSA-N 1 0 297.826 3.550 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)s1 ZINC000248175979 334296453 /nfs/dbraw/zinc/29/64/53/334296453.db2.gz VOGKUISAILSFPY-OBJOEFQTSA-N 1 0 267.438 3.512 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000248175528 334296531 /nfs/dbraw/zinc/29/65/31/334296531.db2.gz VNOHPPRWGCXZNT-JONQDZQNSA-N 1 0 267.457 3.732 10 0 CHAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000248658589 334312200 /nfs/dbraw/zinc/31/22/00/334312200.db2.gz UKCLXORMEJNLOY-CJNGLKHVSA-N 1 0 299.842 3.510 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000248904000 334321512 /nfs/dbraw/zinc/32/15/12/334321512.db2.gz UQXNMWCZEBCKIA-REEYDVFISA-N 1 0 279.468 3.994 10 0 CHAERO CC[N@H+](Cc1nccn1C(C)C)[C@H]1CCCC[C@H]1C ZINC000249374280 334332729 /nfs/dbraw/zinc/33/27/29/334332729.db2.gz NUGBIHUOHLCFRK-CABCVRRESA-N 1 0 263.429 3.865 10 0 CHAERO Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000250819353 334351324 /nfs/dbraw/zinc/35/13/24/334351324.db2.gz QPAUYXVLXMVTDM-ULQDDVLXSA-N 1 0 265.356 3.525 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1Cl ZINC000251440317 334361675 /nfs/dbraw/zinc/36/16/75/334361675.db2.gz BAKRAQJFPKNBLH-QCZZGDTMSA-N 1 0 288.218 3.948 10 0 CHAERO C[C@H](c1ccc(C(C)(C)C)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251829218 334370438 /nfs/dbraw/zinc/37/04/38/334370438.db2.gz ZBSBQWPSHFVNTB-OLMNPRSZSA-N 1 0 286.463 3.871 10 0 CHAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC(=O)N(C)c3ccccc32)[C@@H]1C ZINC000252427162 334379557 /nfs/dbraw/zinc/37/95/57/334379557.db2.gz XQLQPGHPFJBRJD-VDERGJSUSA-N 1 0 286.419 3.509 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000252431448 334379660 /nfs/dbraw/zinc/37/96/60/334379660.db2.gz JJXLYOKREHDXPW-RRQGHBQHSA-N 1 0 277.456 3.701 10 0 CHAERO Cc1ccccc1[C@H]([NH2+][C@H](C)C[C@H](C)O)c1ccccc1 ZINC000252756135 334390261 /nfs/dbraw/zinc/39/02/61/334390261.db2.gz JNQYAMPFNFZQSK-JTDSTZFVSA-N 1 0 283.415 3.833 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccccc1F ZINC000252847149 334396605 /nfs/dbraw/zinc/39/66/05/334396605.db2.gz DAEUGAHWQKDZQQ-HRCADAONSA-N 1 0 265.372 3.560 10 0 CHAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000177746620 335401923 /nfs/dbraw/zinc/40/19/23/335401923.db2.gz SFAGGUIVTYIZJZ-IRXDYDNUSA-N 1 0 291.483 3.774 10 0 CHAERO CCCC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)cc1 ZINC000367712432 335931119 /nfs/dbraw/zinc/93/11/19/335931119.db2.gz JYQZJZKPAODBMD-WCXIOVBPSA-N 1 0 277.383 3.539 10 0 CHAERO CC(C)CC[NH+](CCC(C)C)Cc1nnc(C(C)C)n1C ZINC000195063279 336044122 /nfs/dbraw/zinc/04/41/22/336044122.db2.gz HJAXRXRSSQEMMQ-UHFFFAOYSA-N 1 0 294.487 3.833 10 0 CHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000581523787 336094500 /nfs/dbraw/zinc/09/45/00/336094500.db2.gz LQKXFMBNWUKDIC-HRCADAONSA-N 1 0 261.434 3.938 10 0 CHAERO C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000384803567 336131563 /nfs/dbraw/zinc/13/15/63/336131563.db2.gz YZEZOQRWJRMIMR-RBSFLKMASA-N 1 0 255.446 3.590 10 0 CHAERO c1ccc2c(C[NH2+][C@@H]3CC34CCCC4)ccnc2c1 ZINC000386916757 336182154 /nfs/dbraw/zinc/18/21/54/336182154.db2.gz DIHZCUXGNGFLNM-MRXNPFEDSA-N 1 0 252.361 3.657 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CC23CCCC3)c1C ZINC000387162302 336186757 /nfs/dbraw/zinc/18/67/57/336186757.db2.gz RIVAYRZPHKIBOE-BXUZGUMPSA-N 1 0 261.413 3.503 10 0 CHAERO CC(C)(C)[NH2+]CCCCOc1cccc(F)c1F ZINC000062654663 518754509 /nfs/dbraw/zinc/75/45/09/518754509.db2.gz NLUWUVPKTSNZOU-UHFFFAOYSA-N 1 0 257.324 3.512 10 0 CHAERO CC(C)[NH2+]CC1(OCC(F)(F)F)CCCCCC1 ZINC000050502176 519720237 /nfs/dbraw/zinc/72/02/37/519720237.db2.gz ALRGNZSPSUGWPZ-UHFFFAOYSA-N 1 0 267.335 3.656 10 0 CHAERO CCCC1CCC([NH2+][C@H](CN(C)C)C(C)C)CC1 ZINC000049197108 519899318 /nfs/dbraw/zinc/89/93/18/519899318.db2.gz VXYSUIKOVUQKQM-UYSNPLJNSA-N 1 0 254.462 3.521 10 0 CHAERO CCC[NH2+]C[C@@H](CCOCC)Cc1cccc(C)c1 ZINC000052976565 519920930 /nfs/dbraw/zinc/92/09/30/519920930.db2.gz JMJRETPWNKDDIB-KRWDZBQOSA-N 1 0 263.425 3.580 10 0 CHAERO CCC[NH2+]C[C@H](CCOCC)Cc1cccc(Cl)c1 ZINC000052977722 519932703 /nfs/dbraw/zinc/93/27/03/519932703.db2.gz YTALZMVUSBNKBS-OAHLLOKOSA-N 1 0 283.843 3.925 10 0 CHAERO CCC[NH2+]C[C@H](CCC)Cc1cc(C)ccc1OC ZINC000052969927 519933406 /nfs/dbraw/zinc/93/34/06/519933406.db2.gz GXHHTFSSPIZOBY-OAHLLOKOSA-N 1 0 263.425 3.962 10 0 CHAERO CCC[NH2+]C[C@H]1CCN(c2cccc(Cl)c2Cl)C1 ZINC000053013036 519936943 /nfs/dbraw/zinc/93/69/43/519936943.db2.gz GVSSFOJOMPUNNY-LLVKDONJSA-N 1 0 287.234 3.819 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCC[C@H](C)C2)nc1CCC ZINC000054995528 519975784 /nfs/dbraw/zinc/97/57/84/519975784.db2.gz ZISNBFKXVNRJLJ-ZDUSSCGKSA-N 1 0 295.496 3.832 10 0 CHAERO CCC[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1C ZINC000055223668 520014377 /nfs/dbraw/zinc/01/43/77/520014377.db2.gz MLKZATFKEJIJQZ-HOCLYGCPSA-N 1 0 265.372 3.744 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccsc1)Cc1nc(C)cs1 ZINC000055269462 520014450 /nfs/dbraw/zinc/01/44/50/520014450.db2.gz ZVRYPCNHOYCJMK-ZDUSSCGKSA-N 1 0 280.462 3.666 10 0 CHAERO CC[NH2+][C@H](c1ccc(CC)s1)[C@H]1CCCCO1 ZINC000050961885 520207145 /nfs/dbraw/zinc/20/71/45/520207145.db2.gz RNSBRQLHQSQSTE-OCCSQVGLSA-N 1 0 253.411 3.530 10 0 CHAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@H](C)OC1CCC1 ZINC000050519713 520208141 /nfs/dbraw/zinc/20/81/41/520208141.db2.gz MULDBZBELJTTDS-GUYCJALGSA-N 1 0 261.409 3.857 10 0 CHAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1Oc1cc(F)cc(F)c1 ZINC000054932699 520219976 /nfs/dbraw/zinc/21/99/76/520219976.db2.gz BCKWVGIMFXKCHP-LKTVYLICSA-N 1 0 269.335 3.510 10 0 CHAERO CCCCN(CC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052418869 520482569 /nfs/dbraw/zinc/48/25/69/520482569.db2.gz TXWKHPYJGCRVCS-KRWDZBQOSA-N 1 0 260.425 3.602 10 0 CHAERO CCCCN(c1nc(CC)c(C[NH2+]C)s1)[C@H](C)CC ZINC000055002494 520551917 /nfs/dbraw/zinc/55/19/17/520551917.db2.gz IYFDSKGZTPZWJT-GFCCVEGCSA-N 1 0 283.485 3.830 10 0 CHAERO CCC[C@@H](C)[NH2+]C[C@@H](C)Oc1ccccc1OCC ZINC000053565062 520666800 /nfs/dbraw/zinc/66/68/00/520666800.db2.gz LFIMCSPKQDLRGT-ZIAGYGMSSA-N 1 0 265.397 3.631 10 0 CHAERO C[NH2+]C[C@H](Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000052971329 522074440 /nfs/dbraw/zinc/07/44/40/522074440.db2.gz YJMCTAFMAYWIKF-LBPRGKRZSA-N 1 0 259.315 3.740 10 0 CHAERO C[NH2+][C@H](c1csc2ccccc12)C1CCOCC1 ZINC000061671720 522487416 /nfs/dbraw/zinc/48/74/16/522487416.db2.gz HXOZPVDCVWAWLA-HNNXBMFYSA-N 1 0 261.390 3.588 10 0 CHAERO CC[C@@H](C[NH2+]C(C)C)N1CCCc2cc(C)ccc21 ZINC000052423001 522544229 /nfs/dbraw/zinc/54/42/29/522544229.db2.gz HAKBVTKTYFUNME-INIZCTEOSA-N 1 0 260.425 3.524 10 0 CHAERO CC[C@@H](C[NH2+]CC(C)C)N(C)Cc1ccc(Cl)cc1 ZINC000052346304 522547482 /nfs/dbraw/zinc/54/74/82/522547482.db2.gz TWKWYBFDWQCYMH-INIZCTEOSA-N 1 0 282.859 3.796 10 0 CHAERO COc1ccccc1/C=C\C[N@H+](C)C1CCCCC1 ZINC000103857958 533956788 /nfs/dbraw/zinc/95/67/88/533956788.db2.gz CPKGKGZUEHHRRA-NTMALXAHSA-N 1 0 259.393 3.973 10 0 CHAERO CC(C)(C)CC(C)(C)[NH2+]C[C@](C)(N)c1ccccc1 ZINC000052883610 518628902 /nfs/dbraw/zinc/62/89/02/518628902.db2.gz TVQQKZNYQQTNFW-KRWDZBQOSA-N 1 0 262.441 3.665 10 0 CHAERO CC(C)(C)[NH2+]C[C@@H](OCC1CC1)c1ccc(F)cc1 ZINC000050485426 518759698 /nfs/dbraw/zinc/75/96/98/518759698.db2.gz VYJAQAMHTQPDEP-OAHLLOKOSA-N 1 0 265.372 3.682 10 0 CHAERO CC(C)(C)[NH2+]C[C@H](OCC1CC1)c1ccc(F)cc1 ZINC000050485423 518760368 /nfs/dbraw/zinc/76/03/68/518760368.db2.gz VYJAQAMHTQPDEP-HNNXBMFYSA-N 1 0 265.372 3.682 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])c1cncc(F)c1 ZINC000049575973 518935697 /nfs/dbraw/zinc/93/56/97/518935697.db2.gz ATTGCTYZQGASFT-DZGCQCFKSA-N 1 0 250.361 3.611 10 0 CHAERO CC(C)C[C@@H]1CSC(N[C@@H](C)Cc2ccsc2)=[NH+]1 ZINC000049185358 519277379 /nfs/dbraw/zinc/27/73/79/519277379.db2.gz YKWPSMZZKPBQAI-WCQYABFASA-N 1 0 282.478 3.786 10 0 CHAERO CC(C)C[C@H](C)OCc1cc(C[NH2+]C(C)C)co1 ZINC000052603645 519324526 /nfs/dbraw/zinc/32/45/26/519324526.db2.gz ZUHYKZGRJQOEFD-ZDUSSCGKSA-N 1 0 253.386 3.729 10 0 CHAERO CC(C)C[C@H]1CN[C@H](C(C)C)C[N@@H+]1CCc1ccccc1 ZINC000062705170 519414576 /nfs/dbraw/zinc/41/45/76/519414576.db2.gz DEGZBUZTPRTAEV-OALUTQOASA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)CCOCc1c2ccccc2sc1C[NH3+] ZINC000052624639 519669378 /nfs/dbraw/zinc/66/93/78/519669378.db2.gz QVMGNXIXTGRSAV-UHFFFAOYSA-N 1 0 263.406 3.923 10 0 CHAERO CC(C)C[NH+](CC(C)C)C[C@@H]1C[C@H](C)CCC1=O ZINC000053928153 519713297 /nfs/dbraw/zinc/71/32/97/519713297.db2.gz ORWXQSRDEQEVCN-CABCVRRESA-N 1 0 253.430 3.606 10 0 CHAERO CC(=O)Nc1ccc(NC(=[NH2+])C2CCCCC2)cc1 ZINC000062988148 519721377 /nfs/dbraw/zinc/72/13/77/519721377.db2.gz GHZFPZJNZIIJFF-UHFFFAOYSA-N 1 0 259.353 3.614 10 0 CHAERO CC(C)[NH2+]CCC[C@H](C)Oc1cccc(F)c1F ZINC000062654560 519721537 /nfs/dbraw/zinc/72/15/37/519721537.db2.gz FJZYIFILXIBONU-NSHDSACASA-N 1 0 257.324 3.510 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000053010667 519725276 /nfs/dbraw/zinc/72/52/76/519725276.db2.gz DFOSBCNMYGBEEM-OAHLLOKOSA-N 1 0 274.452 3.808 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000054597997 519745157 /nfs/dbraw/zinc/74/51/57/519745157.db2.gz DLFJDOYPFGYGGR-DZGCQCFKSA-N 1 0 296.252 3.972 10 0 CHAERO CC(C)C[NH2+]C[C@H](C)Cc1c(F)cccc1Cl ZINC000052967455 519745812 /nfs/dbraw/zinc/74/58/12/519745812.db2.gz OFKLPPASEKWIJH-LLVKDONJSA-N 1 0 257.780 3.903 10 0 CHAERO CC(C)C[NH2+]C[C@H](O[C@H]1CCC[C@@H](C)C1)C(C)C ZINC000052631563 519746207 /nfs/dbraw/zinc/74/62/07/519746207.db2.gz DAZJIWBPIDUIPO-PMPSAXMXSA-N 1 0 255.446 3.852 10 0 CHAERO CC(C)C[NH2+]Cc1ccccc1N(C)CC(C)(C)C ZINC000062737998 519747687 /nfs/dbraw/zinc/74/76/87/519747687.db2.gz ZTZWWWONPKAOLO-UHFFFAOYSA-N 1 0 262.441 3.915 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH3+])cc1Br ZINC000061698802 519763669 /nfs/dbraw/zinc/76/36/69/519763669.db2.gz BEQHXWRWYSJQII-VIFPVBQESA-N 1 0 272.186 3.504 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000049196459 519794024 /nfs/dbraw/zinc/79/40/24/519794024.db2.gz ZSJADYXZZYAUBF-SWLSCSKDSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)[NH3+] ZINC000061686217 519796061 /nfs/dbraw/zinc/79/60/61/519796061.db2.gz YKERDEHTVMOHFE-ZWNOBZJWSA-N 1 0 275.314 3.747 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccccc1Cl ZINC000062708920 519804761 /nfs/dbraw/zinc/80/47/61/519804761.db2.gz KXLQVFSHKGFSSI-SJORKVTESA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@](C)([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000053758541 519829390 /nfs/dbraw/zinc/82/93/90/519829390.db2.gz FAKZJXPTGKMYIX-GFCCVEGCSA-N 1 0 261.287 3.501 10 0 CHAERO CCCC1CCC([NH2+]Cc2nc(C)c(C)o2)CC1 ZINC000049545154 519898572 /nfs/dbraw/zinc/89/85/72/519898572.db2.gz LVPMZXCMJHFLGR-UHFFFAOYSA-N 1 0 250.386 3.740 10 0 CHAERO CCC[NH2+]CCCCO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629124 519911705 /nfs/dbraw/zinc/91/17/05/519911705.db2.gz HTDHTRCDAUTXSU-GJZGRUSLSA-N 1 0 255.446 3.998 10 0 CHAERO CC[NH2+]CCC[C@H](C)Oc1ccccc1C(F)(F)F ZINC000052650466 519919780 /nfs/dbraw/zinc/91/97/80/519919780.db2.gz IDFUDIFINUEHEG-NSHDSACASA-N 1 0 275.314 3.862 10 0 CHAERO CC[NH2+]C[C@@H](c1ccccc1)N(C)Cc1cccs1 ZINC000052456427 519949315 /nfs/dbraw/zinc/94/93/15/519949315.db2.gz RBYVGMCRFXFNES-INIZCTEOSA-N 1 0 274.433 3.531 10 0 CHAERO CCC[NH2+]Cc1ccc(CO[C@H](C)CC(C)C)o1 ZINC000052603338 519950194 /nfs/dbraw/zinc/95/01/94/519950194.db2.gz LJGAYZQAIVTGAO-CYBMUJFWSA-N 1 0 253.386 3.730 10 0 CHAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc2cc(OC)ccc2c1 ZINC000054590304 519955351 /nfs/dbraw/zinc/95/53/51/519955351.db2.gz LLOFFISWJOKNJV-RDJZCZTQSA-N 1 0 255.361 3.561 10 0 CHAERO CCC[NH2+]Cc1nc(CO[C@@H](C)CC(C)C)cs1 ZINC000052603056 519968961 /nfs/dbraw/zinc/96/89/61/519968961.db2.gz VLQIFTJSWVXNIF-LBPRGKRZSA-N 1 0 270.442 3.594 10 0 CHAERO CC[NH2+]C[C@H](CC)Cc1cccc(C(F)(F)F)c1 ZINC000052973054 519971064 /nfs/dbraw/zinc/97/10/64/519971064.db2.gz SWFKQIQBWPAYEK-LLVKDONJSA-N 1 0 259.315 3.884 10 0 CHAERO CCC[NH2+][C@@H](C)c1ccccc1Sc1nnc(C)o1 ZINC000051038259 519991784 /nfs/dbraw/zinc/99/17/84/519991784.db2.gz CRPZYXGXXXPKKW-JTQLQIEISA-N 1 0 277.393 3.590 10 0 CHAERO CCC[NH2+][C@@H](CSC)Cc1cc(Cl)ccc1OC ZINC000054496760 520012155 /nfs/dbraw/zinc/01/21/55/520012155.db2.gz CLNCANWBTUKMQR-CYBMUJFWSA-N 1 0 287.856 3.622 10 0 CHAERO CCC[NH2+][C@@H](Cc1csc(C)n1)c1cccs1 ZINC000055296137 520015165 /nfs/dbraw/zinc/01/51/65/520015165.db2.gz RCKKOJURPZFANW-LBPRGKRZSA-N 1 0 266.435 3.796 10 0 CHAERO CCC[NH2+][C@@H]1CCCC[C@@H]1CCOCC(F)(F)F ZINC000049311576 520020529 /nfs/dbraw/zinc/02/05/29/520020529.db2.gz OGBZUOGXNGOADJ-VXGBXAGGSA-N 1 0 267.335 3.514 10 0 CHAERO CCC[NH2+][C@@H]1CCCC[C@@H]1O[C@@H]1CCC[C@H](C)C1 ZINC000044099477 520020836 /nfs/dbraw/zinc/02/08/36/520020836.db2.gz ASQAYCKIDQVNHL-JJXSEGSLSA-N 1 0 253.430 3.893 10 0 CHAERO CCC[NH2+][C@H]1CCCC[C@H]1n1ncc2ccccc21 ZINC000050525634 520092967 /nfs/dbraw/zinc/09/29/67/520092967.db2.gz ONLUGFCBPGKGKP-GOEBONIOSA-N 1 0 257.381 3.520 10 0 CHAERO CC[NH2+][C@@H](Cc1cc(C)ccc1C)CC(F)(F)F ZINC000049258457 520103693 /nfs/dbraw/zinc/10/36/93/520103693.db2.gz YLPHAISPALIQCF-ZDUSSCGKSA-N 1 0 259.315 3.776 10 0 CHAERO CC[NH2+][C@@H](Cc1cccs1)c1ccc(OC)c(F)c1 ZINC000055264634 520105522 /nfs/dbraw/zinc/10/55/22/520105522.db2.gz FXHMTOLMJHRESH-AWEZNQCLSA-N 1 0 279.380 3.789 10 0 CHAERO CC[NH2+][C@@H](Cc1cccnc1)c1cc(C)ccc1C ZINC000053303471 520105580 /nfs/dbraw/zinc/10/55/80/520105580.db2.gz PPKRIPBRPPBAEX-KRWDZBQOSA-N 1 0 254.377 3.592 10 0 CHAERO CC[NH2+][C@@H](Cc1cccnc1)c1cccc(C)c1C ZINC000053330372 520106047 /nfs/dbraw/zinc/10/60/47/520106047.db2.gz MJTNQGBEPPFUHS-KRWDZBQOSA-N 1 0 254.377 3.592 10 0 CHAERO CCCCCC[C@H](C)OCc1cc(C[NH2+]CC)no1 ZINC000052630866 520131913 /nfs/dbraw/zinc/13/19/13/520131913.db2.gz RZEIGCVFXKNYEC-ZDUSSCGKSA-N 1 0 268.401 3.660 10 0 CHAERO CCCCC[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054561001 520152336 /nfs/dbraw/zinc/15/23/36/520152336.db2.gz UCLHIRMQNWFCRF-PMPSAXMXSA-N 1 0 255.446 3.542 10 0 CHAERO CC[NH2+][C@H](C)c1sc(N2CCC[C@@H](CC)C2)nc1C ZINC000054903927 520183723 /nfs/dbraw/zinc/18/37/23/520183723.db2.gz GXUQHCRWBQYODC-DGCLKSJQSA-N 1 0 281.469 3.748 10 0 CHAERO CC[NH2+][C@H](CSC)c1ccccc1C(F)(F)F ZINC000055234121 520201459 /nfs/dbraw/zinc/20/14/59/520201459.db2.gz NUXUFVSRHGUGBX-LLVKDONJSA-N 1 0 263.328 3.719 10 0 CHAERO CC[NH2+][C@H](Cc1ccncc1)c1cc(C)cc(C)c1 ZINC000053136023 520204688 /nfs/dbraw/zinc/20/46/88/520204688.db2.gz APZICDDZJUTORP-QGZVFWFLSA-N 1 0 254.377 3.592 10 0 CHAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[C@@H]1CCCO1 ZINC000054630986 520217599 /nfs/dbraw/zinc/21/75/99/520217599.db2.gz KEZAQMKYDUQWSW-WCVJEAGWSA-N 1 0 253.430 3.606 10 0 CHAERO CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1OC1CCC1 ZINC000050519876 520220900 /nfs/dbraw/zinc/22/09/00/520220900.db2.gz XZBXPCKWXMTXEA-IRXDYDNUSA-N 1 0 259.393 3.611 10 0 CHAERO CCCCCO[C@H](C[NH2+]CC)c1ccc(F)cc1 ZINC000050500932 520248158 /nfs/dbraw/zinc/24/81/58/520248158.db2.gz ZMSRXRMHVXEEDC-OAHLLOKOSA-N 1 0 253.361 3.683 10 0 CHAERO CCCCC[C@H](Cc1csc(C)n1)[NH2+]CCC ZINC000055295997 520312615 /nfs/dbraw/zinc/31/26/15/520312615.db2.gz KBRYPBBPODTVLR-CYBMUJFWSA-N 1 0 254.443 3.943 10 0 CHAERO CCCOc1ccc([C@]2(C)C[C@H]2C[NH2+]C2CC2)cc1 ZINC000054596288 520435696 /nfs/dbraw/zinc/43/56/96/520435696.db2.gz PAHHHIWOWOXBMC-YOEHRIQHSA-N 1 0 259.393 3.505 10 0 CHAERO CCCOc1cccc([C@H]([NH2+]C)c2ccc(C)o2)c1 ZINC000061667717 520469383 /nfs/dbraw/zinc/46/93/83/520469383.db2.gz FFYQWEPNNQBFBN-INIZCTEOSA-N 1 0 259.349 3.686 10 0 CHAERO CCCOc1ccccc1O[C@@H](C)CCC[NH2+]CC ZINC000052649965 520485846 /nfs/dbraw/zinc/48/58/46/520485846.db2.gz VHVHEQFFBNOORS-AWEZNQCLSA-N 1 0 265.397 3.632 10 0 CHAERO CCO[C@H](C[NH2+]C(C)(C)C)c1cccc(Cl)c1 ZINC000050482144 520521218 /nfs/dbraw/zinc/52/12/18/520521218.db2.gz WRQQDOOWNYMYCJ-CYBMUJFWSA-N 1 0 255.789 3.806 10 0 CHAERO CCCC[N@H+](Cc1ccc(Cl)cc1N)C1CC1 ZINC000050443084 520544674 /nfs/dbraw/zinc/54/46/74/520544674.db2.gz FNGNXLOEPOMWFB-UHFFFAOYSA-N 1 0 252.789 3.687 10 0 CHAERO CCCCO[C@@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050483207 520822888 /nfs/dbraw/zinc/82/28/88/520822888.db2.gz VHMVMJJMSZXHDT-HNNXBMFYSA-N 1 0 253.361 3.682 10 0 CHAERO CCCCO[C@H](C[NH2+]C(C)C)c1ccccc1F ZINC000050483298 520842799 /nfs/dbraw/zinc/84/27/99/520842799.db2.gz YVXHOMJSOSSTSL-OAHLLOKOSA-N 1 0 253.361 3.682 10 0 CHAERO CCCCO[C@H](C[NH2+]C(C)C)c1ccc(OC)cc1 ZINC000050483041 520843426 /nfs/dbraw/zinc/84/34/26/520843426.db2.gz BEKJSFSICDRWCP-MRXNPFEDSA-N 1 0 265.397 3.551 10 0 CHAERO CCC[C@@](C)(C[NH2+]CCOC)Cc1ccccc1C ZINC000054657479 520911860 /nfs/dbraw/zinc/91/18/60/520911860.db2.gz YXNYZGARWVGZMB-QGZVFWFLSA-N 1 0 263.425 3.580 10 0 CHAERO CC[NH+](CC)c1ccc(NCc2cnc(C)s2)cc1 ZINC000057978193 520919002 /nfs/dbraw/zinc/91/90/02/520919002.db2.gz UXGFSHODAOWJIF-UHFFFAOYSA-N 1 0 275.421 3.910 10 0 CHAERO CC1CCC(Oc2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052906944 520962763 /nfs/dbraw/zinc/96/27/63/520962763.db2.gz LHNJWJMAMRNEOU-UHFFFAOYSA-N 1 0 266.772 3.582 10 0 CHAERO CC1CCC([C@H]([NH3+])Cc2ccc(F)cc2F)CC1 ZINC000050886280 520963416 /nfs/dbraw/zinc/96/34/16/520963416.db2.gz USVKDILDKLYAID-QKFMDRJYSA-N 1 0 253.336 3.661 10 0 CHAERO CCC[C@H](C)[NH2+]CCN(C)Cc1ccc(Cl)cc1 ZINC000053445225 521061062 /nfs/dbraw/zinc/06/10/62/521061062.db2.gz IJYNMXXSKPAQPO-ZDUSSCGKSA-N 1 0 268.832 3.550 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@H](CC)N1CCC(C)(C)CC1 ZINC000061819718 521157420 /nfs/dbraw/zinc/15/74/20/521157420.db2.gz SXXJSYLVEDWYKN-GJZGRUSLSA-N 1 0 254.462 3.665 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])c2cc(F)ccc2C)cc1 ZINC000055228368 521229625 /nfs/dbraw/zinc/22/96/25/521229625.db2.gz IOQYHICCPMJOPH-MRXNPFEDSA-N 1 0 259.324 3.581 10 0 CHAERO CCOc1ccc([C@@]([NH3+])(CC)c2ccccc2)cc1 ZINC000055197543 521249803 /nfs/dbraw/zinc/24/98/03/521249803.db2.gz VGISENAKJOILAK-QGZVFWFLSA-N 1 0 255.361 3.698 10 0 CHAERO CCCCc1ccc(N2CC[C@@H](C[NH2+]C(C)C)C2)cc1 ZINC000053031051 521275260 /nfs/dbraw/zinc/27/52/60/521275260.db2.gz HEHNXMGHQZDODD-KRWDZBQOSA-N 1 0 274.452 3.854 10 0 CHAERO CCC(C)(C)[C@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000054402625 521364433 /nfs/dbraw/zinc/36/44/33/521364433.db2.gz CFFGCCWHZVJFDJ-OAHLLOKOSA-N 1 0 263.381 3.545 10 0 CHAERO CCN(Cc1cccs1)c1cc(Cl)ccc1C[NH3+] ZINC000062786911 521410909 /nfs/dbraw/zinc/41/09/09/521410909.db2.gz NXNVZLNMRSGNAM-UHFFFAOYSA-N 1 0 280.824 3.887 10 0 CHAERO CCCc1ccc([C@H](Cc2nc(C)cs2)[NH2+]C)cc1 ZINC000055268547 521419157 /nfs/dbraw/zinc/41/91/57/521419157.db2.gz AWSZQHNEKQOTNM-HNNXBMFYSA-N 1 0 274.433 3.907 10 0 CHAERO CCC(CC)(C[NH3+])N1CCC2(CCCCC2)CC1 ZINC000061818856 521426650 /nfs/dbraw/zinc/42/66/50/521426650.db2.gz VDCNIHNVJZDNEU-UHFFFAOYSA-N 1 0 252.446 3.550 10 0 CHAERO CC[N@H+](Cc1nc(NC)ccc1Cl)C1CCCCC1 ZINC000061630574 521452703 /nfs/dbraw/zinc/45/27/03/521452703.db2.gz RIBWEHPSGJMFMQ-UHFFFAOYSA-N 1 0 281.831 3.931 10 0 CHAERO CC[N@H+]([C@@H](CC(N)=S)c1ccccc1)C1CCCC1 ZINC000055024681 521472166 /nfs/dbraw/zinc/47/21/66/521472166.db2.gz VWFHQJGFMVYNPS-HNNXBMFYSA-N 1 0 276.449 3.668 10 0 CHAERO CCCN(CC(F)(F)F)c1ncc([C@@H](C)[NH2+]CC)s1 ZINC000054906322 521586801 /nfs/dbraw/zinc/58/68/01/521586801.db2.gz ABKYJCYUOWHVCU-SECBINFHSA-N 1 0 295.374 3.592 10 0 CHAERO CCCN(CC)c1nc2c(s1)[C@H]([NH2+]C)CC(C)(C)C2 ZINC000054902640 521618899 /nfs/dbraw/zinc/61/88/99/521618899.db2.gz DJPBLWDZYAGWPK-LLVKDONJSA-N 1 0 281.469 3.612 10 0 CHAERO CCOC1CC(CC[NH2+]C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000188787352 521645095 /nfs/dbraw/zinc/64/50/95/521645095.db2.gz QKAWEHMXRAKQCR-KSTDHSDQSA-N 1 0 291.435 3.594 10 0 CHAERO COCC[C@@H](C[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC000052977761 521804900 /nfs/dbraw/zinc/80/49/00/521804900.db2.gz PBNNWQBJUUJWEM-CQSZACIVSA-N 1 0 269.816 3.533 10 0 CHAERO C[NH2+]CC1(CCc2scnc2C)CCCCC1 ZINC000054654779 521964988 /nfs/dbraw/zinc/96/49/88/521964988.db2.gz NZFQPFDNLBTPAS-UHFFFAOYSA-N 1 0 252.427 3.554 10 0 CHAERO C[NH2+]C[C@@H](C)Oc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000053587577 522032011 /nfs/dbraw/zinc/03/20/11/522032011.db2.gz GYBXOUNBKRUDAF-SECBINFHSA-N 1 0 299.201 3.837 10 0 CHAERO C[NH2+]C[C@@H](Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000052952349 522033654 /nfs/dbraw/zinc/03/36/54/522033654.db2.gz WWTXBXWOJVGUEM-INIZCTEOSA-N 1 0 273.807 3.961 10 0 CHAERO C[NH2+]C[C@H](C(C)C)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062020069 522063551 /nfs/dbraw/zinc/06/35/51/522063551.db2.gz KKHMSYBZFDXORH-SWLSCSKDSA-N 1 0 268.832 3.577 10 0 CHAERO C[NH2+]Cc1ccccc1COc1cccc(C)c1C ZINC000052654852 522137037 /nfs/dbraw/zinc/13/70/37/522137037.db2.gz CEYDBZNJJHCQRQ-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO C[NH2+]Cc1sc2cccc(F)c2c1COC1CCC1 ZINC000052595319 522170041 /nfs/dbraw/zinc/17/00/41/522170041.db2.gz XRJXJXOEZNTFQI-UHFFFAOYSA-N 1 0 279.380 3.829 10 0 CHAERO CC[C@H](C[NH3+])Oc1ccc2oc3ccccc3c2c1 ZINC000061676231 522170943 /nfs/dbraw/zinc/17/09/43/522170943.db2.gz XVVUKBVXMJTZNW-LLVKDONJSA-N 1 0 255.317 3.702 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2cccc(COC)c2)s1 ZINC000049511007 522331098 /nfs/dbraw/zinc/33/10/98/522331098.db2.gz IKNYMTGARASAEZ-NSHDSACASA-N 1 0 261.390 3.842 10 0 CHAERO C[NH2+][C@@H]1CCCC[C@H]1Cc1c(F)cccc1Cl ZINC000049345994 522376828 /nfs/dbraw/zinc/37/68/28/522376828.db2.gz YNKHFKDGFQCYPY-IINYFYTJSA-N 1 0 255.764 3.800 10 0 CHAERO CCc1nc(N2CCCC[C@@H]2C)sc1C[NH2+]C(C)C ZINC000054995318 522383407 /nfs/dbraw/zinc/38/34/07/522383407.db2.gz XFRXAUDOBIUUSM-LBPRGKRZSA-N 1 0 281.469 3.582 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2cc(OC)ccc2Cl)o1 ZINC000052924610 522444066 /nfs/dbraw/zinc/44/40/66/522444066.db2.gz WCWOIOLQWBMHCJ-SECBINFHSA-N 1 0 265.740 3.889 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2cccc3ncccc32)o1 ZINC000052924122 522447978 /nfs/dbraw/zinc/44/79/78/522447978.db2.gz CMLGXGCMGNEFEX-LLVKDONJSA-N 1 0 252.317 3.775 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1F)c1ccsc1 ZINC000050886026 522473884 /nfs/dbraw/zinc/47/38/84/522473884.db2.gz FXUUDJGDKHMQII-CYBMUJFWSA-N 1 0 253.317 3.530 10 0 CHAERO C[NH2+][C@H](c1cccnc1)c1cccc(Cl)c1Cl ZINC000055223063 522485253 /nfs/dbraw/zinc/48/52/53/522485253.db2.gz XMDRWBUIMCXEEB-CYBMUJFWSA-N 1 0 267.159 3.697 10 0 CHAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(-c3ccco3)sc21 ZINC000050331488 522488114 /nfs/dbraw/zinc/48/81/14/522488114.db2.gz AZLMXBLHZHFQHF-VIFPVBQESA-N 1 0 262.378 3.636 10 0 CHAERO C[NH2+][C@H]1CCCc2nc(Cc3cccc(Cl)c3)sc21 ZINC000050329985 522499710 /nfs/dbraw/zinc/49/97/10/522499710.db2.gz XRXLXTRMPGCTGG-LBPRGKRZSA-N 1 0 292.835 3.984 10 0 CHAERO CC[C@H]([NH2+]C)c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000054722034 522557096 /nfs/dbraw/zinc/55/70/96/522557096.db2.gz ZUZQQZISXLFYKJ-AWEZNQCLSA-N 1 0 298.217 3.909 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1F)c1cccs1 ZINC000062612707 522645998 /nfs/dbraw/zinc/64/59/98/522645998.db2.gz JFJFKDURVLVZSJ-QMTHXVAHSA-N 1 0 283.343 3.884 10 0 CHAERO CC[C@@H]1CCCN1c1ccccc1C[NH2+]CC(C)C ZINC000062736576 523272402 /nfs/dbraw/zinc/27/24/02/523272402.db2.gz OTESWWNAEUAWAR-MRXNPFEDSA-N 1 0 260.425 3.811 10 0 CHAERO CC[C@H]1CSC(N[C@H](c2cccs2)C(C)C)=[NH+]1 ZINC000049559184 523356180 /nfs/dbraw/zinc/35/61/80/523356180.db2.gz RYXFMGMMCLITAF-JQWIXIFHSA-N 1 0 268.451 3.916 10 0 CHAERO CCn1cccc1C[NH2+]Cc1sccc1Br ZINC000087575243 523501591 /nfs/dbraw/zinc/50/15/91/523501591.db2.gz RTQRGFSHKOOKAE-UHFFFAOYSA-N 1 0 299.237 3.622 10 0 CHAERO CCn1cc[nH+]c1N[C@H](C)c1ccc(Cl)s1 ZINC000050614192 523549847 /nfs/dbraw/zinc/54/98/47/523549847.db2.gz UYSYALWQVPEMRJ-MRVPVSSYSA-N 1 0 255.774 3.791 10 0 CHAERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000125923006 523601719 /nfs/dbraw/zinc/60/17/19/523601719.db2.gz CDQFCYMJVCMNSP-JKSUJKDBSA-N 1 0 298.434 3.547 10 0 CHAERO C[N@@H+]1CCCC[C@@H]1CNc1ccc(Cl)c(Cl)c1 ZINC000054239789 523795731 /nfs/dbraw/zinc/79/57/31/523795731.db2.gz UGMSOFQJHXRHLC-LLVKDONJSA-N 1 0 273.207 3.890 10 0 CHAERO CC[C@H](C)N(CC)c1nc(C)c(C[NH2+]CC(C)C)s1 ZINC000054996929 523935282 /nfs/dbraw/zinc/93/52/82/523935282.db2.gz JIATUCBENVLLHT-LBPRGKRZSA-N 1 0 283.485 3.822 10 0 CHAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(Cl)cc1Cl ZINC000054598880 523941506 /nfs/dbraw/zinc/94/15/06/523941506.db2.gz LEGJMKJBIWKDOS-IINYFYTJSA-N 1 0 288.218 3.507 10 0 CHAERO CCc1ccc(N(C)CCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050954179 523958441 /nfs/dbraw/zinc/95/84/41/523958441.db2.gz JQKMFMDTMDPSCC-INIZCTEOSA-N 1 0 260.425 3.608 10 0 CHAERO COc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000157000488 524029964 /nfs/dbraw/zinc/02/99/64/524029964.db2.gz QOSXNEZHNGWDNJ-AWEZNQCLSA-N 1 0 288.416 3.531 10 0 CHAERO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCC[C@@H]2OC)cc1 ZINC000050370742 524047986 /nfs/dbraw/zinc/04/79/86/524047986.db2.gz PXCMBCFMKJHQIE-BBWFWOEESA-N 1 0 261.409 3.857 10 0 CHAERO CCc1ccc([C@]2(C)C[C@H]2C[NH2+]C(C)(C)C)s1 ZINC000054597321 524057335 /nfs/dbraw/zinc/05/73/35/524057335.db2.gz WSGNAJBLPKVVQZ-XHDPSFHLSA-N 1 0 251.439 3.976 10 0 CHAERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000037074367 524093352 /nfs/dbraw/zinc/09/33/52/524093352.db2.gz OALDNLRWXAWSAH-CXAGYDPISA-N 1 0 283.371 3.870 10 0 CHAERO C[C@H](CCC[NH2+]C(C)(C)C)OCc1cccs1 ZINC000052706350 524142390 /nfs/dbraw/zinc/14/23/90/524142390.db2.gz LWOVFBHSYCHROY-GFCCVEGCSA-N 1 0 255.427 3.822 10 0 CHAERO C[C@@H](CCC[NH3+])Oc1ccc(Cl)c2ccccc12 ZINC000052701847 524456278 /nfs/dbraw/zinc/45/62/78/524456278.db2.gz NTMLSSUUAFJZDY-NSHDSACASA-N 1 0 263.768 3.999 10 0 CHAERO Cc1cccc(CS[C@H](c2ccncc2)[C@@H](C)[NH3+])c1 ZINC000054965672 524463254 /nfs/dbraw/zinc/46/32/54/524463254.db2.gz QUNYSDBETYROIL-CJNGLKHVSA-N 1 0 272.417 3.712 10 0 CHAERO Cc1cc(C[NH2+][C@@H]2CCOc3ccccc32)cs1 ZINC000285822297 524771163 /nfs/dbraw/zinc/77/11/63/524771163.db2.gz IEVGGGUTYQXMBO-CQSZACIVSA-N 1 0 259.374 3.670 10 0 CHAERO Cc1cccc([C@H](C[NH2+]C2CC2)OCCC(C)C)c1 ZINC000050493334 524881384 /nfs/dbraw/zinc/88/13/84/524881384.db2.gz UFEDLVUHGZOFPP-KRWDZBQOSA-N 1 0 261.409 3.851 10 0 CHAERO COc1ccc(OC)c([C@@H]([NH3+])[C@H]2CCC[C@@H](C)C2)c1 ZINC000055234753 524886556 /nfs/dbraw/zinc/88/65/56/524886556.db2.gz JWAGPKLTWCCSAU-WQGACYEGSA-N 1 0 263.381 3.530 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C)CC2)nc1 ZINC000163510352 524941555 /nfs/dbraw/zinc/94/15/55/524941555.db2.gz IYFRGVVLHROVNX-NVXWUHKLSA-N 1 0 287.451 3.527 10 0 CHAERO Cc1cc(F)ccc1[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000055226614 525008518 /nfs/dbraw/zinc/00/85/18/525008518.db2.gz OODZTPAFKCWCAA-CQSZACIVSA-N 1 0 269.241 3.600 10 0 CHAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC(C)(C)CC1 ZINC000061818392 525015718 /nfs/dbraw/zinc/01/57/18/525015718.db2.gz PEXMZMCYUZVCQE-IUODEOHRSA-N 1 0 280.843 3.850 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1OCCc1cccs1 ZINC000049585769 525025456 /nfs/dbraw/zinc/02/54/56/525025456.db2.gz KXKPRBVNOLKIOC-SNVBAGLBSA-N 1 0 265.353 3.528 10 0 CHAERO C[C@@H]([NH3+])c1ccc(Sc2ccccn2)c(Cl)c1 ZINC000061700018 525031159 /nfs/dbraw/zinc/03/11/59/525031159.db2.gz GKDKXLDRSZYRCA-SECBINFHSA-N 1 0 264.781 3.906 10 0 CHAERO Cc1ccccc1C[N@H+]1C[C@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062705152 525146941 /nfs/dbraw/zinc/14/69/41/525146941.db2.gz YTSTVFGJGYGYEJ-RBUKOAKNSA-N 1 0 288.479 3.840 10 0 CHAERO C[C@]([NH3+])(c1cc(F)cc(F)c1)c1ccccc1Cl ZINC000055195911 525148917 /nfs/dbraw/zinc/14/89/17/525148917.db2.gz OZIYLZWOANVMHY-AWEZNQCLSA-N 1 0 267.706 3.840 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccc(Cl)s2)c(C)c1 ZINC000051171374 525363005 /nfs/dbraw/zinc/36/30/05/525363005.db2.gz IURNTDDXYAIDLS-ZDUSSCGKSA-N 1 0 267.781 3.767 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000286820681 525417552 /nfs/dbraw/zinc/41/75/52/525417552.db2.gz CESRRBVELAQYBO-SCRDCRAPSA-N 1 0 287.325 3.756 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2)CC(C)(C)C1 ZINC000070137450 525439084 /nfs/dbraw/zinc/43/90/84/525439084.db2.gz JOQOEKMLUZQWTC-CABCVRRESA-N 1 0 261.409 3.870 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccncc1 ZINC000293228108 525440036 /nfs/dbraw/zinc/44/00/36/525440036.db2.gz ASHISDYJOLHENC-LBPRGKRZSA-N 1 0 270.351 3.949 10 0 CHAERO COc1ccc([C@](C)([NH3+])c2ccc(C)cc2C)cc1 ZINC000055235600 525443468 /nfs/dbraw/zinc/44/34/68/525443468.db2.gz LIOLEHRCNFILPB-KRWDZBQOSA-N 1 0 255.361 3.534 10 0 CHAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2Cl)cn1 ZINC000061699788 525477611 /nfs/dbraw/zinc/47/76/11/525477611.db2.gz ONONNXIUISOIAD-JTQLQIEISA-N 1 0 262.740 3.855 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCCCC[C@@H]2O)c(C)s1 ZINC000049506720 525527506 /nfs/dbraw/zinc/52/75/06/525527506.db2.gz QNEHHZBGDNKGHX-GLQYFDAESA-N 1 0 267.438 3.709 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@H](CN(C)C)C(C)C)c(C)s1 ZINC000049197297 525529927 /nfs/dbraw/zinc/52/99/27/525529927.db2.gz PYRVHEOIWOMMNP-SWLSCSKDSA-N 1 0 268.470 3.602 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccccc1Cl ZINC000049508657 525551346 /nfs/dbraw/zinc/55/13/46/525551346.db2.gz QKHACGMJYRFGAE-GLQYFDAESA-N 1 0 267.800 3.684 10 0 CHAERO Cc1cccnc1[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000053147326 525551736 /nfs/dbraw/zinc/55/17/36/525551736.db2.gz OQBZFZRIAGAITP-GFCCVEGCSA-N 1 0 267.159 3.745 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000126842235 525639687 /nfs/dbraw/zinc/63/96/87/525639687.db2.gz QIISEBCNADUPOZ-BUYFANAVSA-N 1 0 259.180 3.635 10 0 CHAERO C[C@@H](Oc1ccc(C(N)=[NH2+])cc1Cl)c1ccccc1 ZINC000062794499 525920124 /nfs/dbraw/zinc/92/01/24/525920124.db2.gz BJJXVEIPTCFDSM-SNVBAGLBSA-N 1 0 274.751 3.764 10 0 CHAERO C[C@H](c1cccs1)N(C)CC[NH2+]CCc1ccsc1 ZINC000053431773 526154246 /nfs/dbraw/zinc/15/42/46/526154246.db2.gz CLZYFRZKSJATIT-CYBMUJFWSA-N 1 0 294.489 3.635 10 0 CHAERO Cc1ccc2c(c1)[nH+]c(N)n2[C@H](C)c1ccsc1 ZINC000061365086 526220118 /nfs/dbraw/zinc/22/01/18/526220118.db2.gz WSSUYBCTQVRIEY-SNVBAGLBSA-N 1 0 257.362 3.598 10 0 CHAERO C[C@H]1CCCC[C@@]1([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703228 526259875 /nfs/dbraw/zinc/25/98/75/526259875.db2.gz QMCCIOHTPVPGNP-GWCFXTLKSA-N 1 0 273.298 3.949 10 0 CHAERO C[C@H]1CCCC[C@H]1[NH2+]CCOCC1CCCCC1 ZINC000053590294 526262325 /nfs/dbraw/zinc/26/23/25/526262325.db2.gz TUHDJJYINUWOLP-GOEBONIOSA-N 1 0 253.430 3.752 10 0 CHAERO C[C@H]1CCCC[C@]1([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703226 526263192 /nfs/dbraw/zinc/26/31/92/526263192.db2.gz QMCCIOHTPVPGNP-GXFFZTMASA-N 1 0 273.298 3.949 10 0 CHAERO Fc1cc(Cl)ccc1-c1ncc(C[NH2+]C2CC2)s1 ZINC000062786645 526299707 /nfs/dbraw/zinc/29/97/07/526299707.db2.gz IAIIRVLFJJBCSS-UHFFFAOYSA-N 1 0 282.771 3.855 10 0 CHAERO Cc1nn([C@H](c2ccccc2Cl)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586081 526306398 /nfs/dbraw/zinc/30/63/98/526306398.db2.gz JKYRUNIPAVIJDD-RTHLEPHNSA-N 1 0 298.217 3.743 10 0 CHAERO Cc1csc(C[C@H]([NH3+])c2ccccc2C(F)(F)F)n1 ZINC000055267626 526367252 /nfs/dbraw/zinc/36/72/52/526367252.db2.gz IFCFDIRMJWIRJQ-NSHDSACASA-N 1 0 286.322 3.713 10 0 CHAERO c1ccc2c(c1)CCC[C@@H]2OCCC[C@@H]1CCC[NH2+]1 ZINC000052764990 526503687 /nfs/dbraw/zinc/50/36/87/526503687.db2.gz PTGPUMJSZFUGLT-RDJZCZTQSA-N 1 0 259.393 3.613 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000052274795 526660740 /nfs/dbraw/zinc/66/07/40/526660740.db2.gz VZYIWYKUZYFDHK-QXEWZRGKSA-N 1 0 252.427 3.808 10 0 CHAERO Cc1nocc1C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000293224284 526698428 /nfs/dbraw/zinc/69/84/28/526698428.db2.gz KFYXQIYOOYQBJD-BZNIZROVSA-N 1 0 256.349 3.711 10 0 CHAERO NC(=[NH2+])C[C@H](Sc1cccs1)c1ccccc1 ZINC000055024216 526816695 /nfs/dbraw/zinc/81/66/95/526816695.db2.gz MYDBAADUOKHMHA-NSHDSACASA-N 1 0 262.403 3.908 10 0 CHAERO NC(=[NH2+])C[C@@H](Sc1cccs1)c1ccccc1 ZINC000055024211 526816709 /nfs/dbraw/zinc/81/67/09/526816709.db2.gz MYDBAADUOKHMHA-LLVKDONJSA-N 1 0 262.403 3.908 10 0 CHAERO Clc1cc2c(s1)CCC[C@H]2[NH2+]CC1CCOCC1 ZINC000128335030 526930487 /nfs/dbraw/zinc/93/04/87/526930487.db2.gz LVEXPIFTDOYEAA-GFCCVEGCSA-N 1 0 285.840 3.795 10 0 CHAERO Cc1nc(N(C)[C@H](C)C2CC2)sc1C[NH2+]C(C)(C)C ZINC000054997499 526951737 /nfs/dbraw/zinc/95/17/37/526951737.db2.gz NKAVKNBAINHFBG-LLVKDONJSA-N 1 0 281.469 3.574 10 0 CHAERO Cc1nc2c(cc(O[C@H](C)C[NH3+])c3ccsc32)s1 ZINC000049832500 527096417 /nfs/dbraw/zinc/09/64/17/527096417.db2.gz IZJDGIATTSBTGL-SSDOTTSWSA-N 1 0 278.402 3.545 10 0 CHAERO [NH3+]CC1(Cc2ccc(F)cc2Cl)CCCCC1 ZINC000054635385 527163545 /nfs/dbraw/zinc/16/35/45/527163545.db2.gz RHVLACNJCOSJGN-UHFFFAOYSA-N 1 0 255.764 3.931 10 0 CHAERO [NH3+]C[C@H](Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000057989724 527225612 /nfs/dbraw/zinc/22/56/12/527225612.db2.gz DRYWFJAIESPKJI-AWEZNQCLSA-N 1 0 279.305 3.990 10 0 CHAERO [NH3+]Cc1ccc(Cl)cc1Oc1ccc(F)c(F)c1 ZINC000062787190 527254337 /nfs/dbraw/zinc/25/43/37/527254337.db2.gz XEWUMTXNKFENLX-UHFFFAOYSA-N 1 0 269.678 3.869 10 0 CHAERO [NH3+]Cc1ccc(OCc2ccc(F)cc2F)c(Cl)c1 ZINC000050871817 527257592 /nfs/dbraw/zinc/25/75/92/527257592.db2.gz DKXSTRRKGWBERL-UHFFFAOYSA-N 1 0 283.705 3.656 10 0 CHAERO [NH3+]Cc1cccc(-c2csc(-c3ccsc3)n2)c1 ZINC000062938466 527258895 /nfs/dbraw/zinc/25/88/95/527258895.db2.gz ARFZSIKXNNFLFT-UHFFFAOYSA-N 1 0 272.398 3.997 10 0 CHAERO [NH3+][C@@H](Cc1cccc(Cl)c1)Cc1ccc(F)cc1F ZINC000050885926 527336050 /nfs/dbraw/zinc/33/60/50/527336050.db2.gz HUDWIVGKMHPEHM-AWEZNQCLSA-N 1 0 281.733 3.731 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000054685533 527337331 /nfs/dbraw/zinc/33/73/31/527337331.db2.gz HELVFKLVPRCWJL-GJZGRUSLSA-N 1 0 296.197 3.597 10 0 CHAERO [NH3+][C@@]1(c2cc(F)ccc2F)CCCc2ccccc21 ZINC000055242659 527379060 /nfs/dbraw/zinc/37/90/60/527379060.db2.gz VBJHJRGXDOCMJN-INIZCTEOSA-N 1 0 259.299 3.503 10 0 CHAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000052944410 527388624 /nfs/dbraw/zinc/38/86/24/527388624.db2.gz IIVRTLVEYMHLEM-CQSZACIVSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)cc1)c1cncc(Br)c1 ZINC000057343903 527390740 /nfs/dbraw/zinc/39/07/40/527390740.db2.gz BPCRWFXOWSZIGU-GFCCVEGCSA-N 1 0 297.583 3.546 10 0 CHAERO [NH3+][C@H]1CCCc2nc(-c3c(F)cccc3Cl)sc21 ZINC000052903485 527410108 /nfs/dbraw/zinc/41/01/08/527410108.db2.gz MTVJYDOAVLJQGU-VIFPVBQESA-N 1 0 282.771 3.939 10 0 CHAERO Cc1ncsc1CC[C@@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000052947606 527492885 /nfs/dbraw/zinc/49/28/85/527492885.db2.gz HGFNOGLWMBIADZ-CYBMUJFWSA-N 1 0 294.851 3.855 10 0 CHAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000049157146 527517621 /nfs/dbraw/zinc/51/76/21/527517621.db2.gz CLGOMBYSIYEETK-GXSJLCMTSA-N 1 0 266.435 3.795 10 0 CHAERO OCCC[C@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000111235200 527546144 /nfs/dbraw/zinc/54/61/44/527546144.db2.gz BVNBVZATZOQBOP-CQSZACIVSA-N 1 0 275.417 3.638 10 0 CHAERO O[C@@H](CC[NH+]1CCCCCCC1)c1ccccc1F ZINC000053986389 527644297 /nfs/dbraw/zinc/64/42/97/527644297.db2.gz AGNPIZBHEAHQCN-INIZCTEOSA-N 1 0 265.372 3.515 10 0 CHAERO CCOC(=O)CC[C@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000301840345 528760659 /nfs/dbraw/zinc/76/06/59/528760659.db2.gz AOIMPBFROVYFNW-LBPRGKRZSA-N 1 0 286.375 3.687 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1c1ccccc1C(C)(C)C ZINC000083542029 535264750 /nfs/dbraw/zinc/26/47/50/535264750.db2.gz YFZCSGGVCUPODT-YOEHRIQHSA-N 1 0 274.452 3.807 10 0 CHAERO c1cnc2c(c1)cccc2COCCC[NH+]1CCCCC1 ZINC000583653031 566905834 /nfs/dbraw/zinc/90/58/34/566905834.db2.gz XHEWICKIPJXIJC-UHFFFAOYSA-N 1 0 284.403 3.627 10 0 CHAERO Clc1cccc(SC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000048545044 567090415 /nfs/dbraw/zinc/09/04/15/567090415.db2.gz GSJFVOMBYSONOC-QYJAPNMZSA-N 1 0 253.798 3.715 10 0 CHAERO CC(C)(C)OC(=O)N1CCC[C@](C)([NH+]2CCCCC2)CC1 ZINC000685953338 567209894 /nfs/dbraw/zinc/20/98/94/567209894.db2.gz WCCWUGHIQDKKIJ-KRWDZBQOSA-N 1 0 296.455 3.652 10 0 CHAERO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCC ZINC000010436094 567861299 /nfs/dbraw/zinc/86/12/99/567861299.db2.gz GBAQZLDFIJLCBT-UHFFFAOYSA-N 1 0 271.788 3.635 10 0 CHAERO C[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000037702084 567880388 /nfs/dbraw/zinc/88/03/88/567880388.db2.gz VAFVEUOZTKRXCU-UHFFFAOYSA-N 1 0 279.742 3.778 10 0 CHAERO CC(C)(C)OC(=O)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000725245702 567908312 /nfs/dbraw/zinc/90/83/12/567908312.db2.gz XKODZCGNRSNQOW-UHFFFAOYSA-N 1 0 269.429 3.510 10 0 CHAERO C[N@@H+]1Cc2ccccc2[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000026501186 570232313 /nfs/dbraw/zinc/23/23/13/570232313.db2.gz WRNKIDLXXXIELU-IEBWSBKVSA-N 1 0 274.367 3.670 10 0 investigational CHAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCCCCC2)CC1 ZINC000685952879 570406034 /nfs/dbraw/zinc/40/60/34/570406034.db2.gz RBEMPURITHFPOQ-HNNXBMFYSA-N 1 0 296.455 3.652 10 0 CHAERO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccccc1F)C1CC1 ZINC000104967788 1125457573 /nfs/dbraw/zinc/45/75/73/1125457573.db2.gz WLTPXJDQSDRYRE-OLZOCXBDSA-N 1 0 292.398 3.663 10 0 CHAERO C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(Cl)cn1 ZINC000588386976 1120499692 /nfs/dbraw/zinc/49/96/92/1120499692.db2.gz GTZDOZHSTVROMR-LCYFTJDESA-N 1 0 272.779 3.928 10 0 CHAERO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H]3C3CCC3)n2)c1 ZINC000102927662 1123595421 /nfs/dbraw/zinc/59/54/21/1123595421.db2.gz JFRRMDDMHROADO-INIZCTEOSA-N 1 0 297.402 3.810 10 0 CHAERO CC(C)=CC[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000192318181 1125332977 /nfs/dbraw/zinc/33/29/77/1125332977.db2.gz FHYKNVYLLGLPKL-HOCLYGCPSA-N 1 0 278.465 3.687 10 0 CHAERO CCCc1nc(-c2cccc(OC)c2)sc1C[NH2+]CC ZINC000082428367 178004085 /nfs/dbraw/zinc/00/40/85/178004085.db2.gz NSXPMHIOCOZQHL-UHFFFAOYSA-N 1 0 290.432 3.881 10 0 CHAERO CC(C)c1nc(Cc2ccc(Cl)cc2)sc1C[NH3+] ZINC000082429601 178006606 /nfs/dbraw/zinc/00/66/06/178006606.db2.gz GYBGCDGICNTDPX-UHFFFAOYSA-N 1 0 280.824 3.969 10 0 CHAERO CC(C)c1nc(N2CCCCCC2)sc1C[NH2+]C1CC1 ZINC000082434991 178012071 /nfs/dbraw/zinc/01/20/71/178012071.db2.gz CZQBKRRHGTYTJG-UHFFFAOYSA-N 1 0 293.480 3.899 10 0 CHAERO CC(C)[NH2+]Cc1sc(-c2ccco2)nc1C1CC1 ZINC000082436847 178014644 /nfs/dbraw/zinc/01/46/44/178014644.db2.gz CVMDPOYGUUOXNQ-UHFFFAOYSA-N 1 0 262.378 3.779 10 0 CHAERO CCC[NH2+]Cc1sc(C2CC2)nc1C(C)(C)C ZINC000082439910 178017795 /nfs/dbraw/zinc/01/77/95/178017795.db2.gz GDVBPKJLQPUJOZ-UHFFFAOYSA-N 1 0 252.427 3.818 10 0 CHAERO CC(C)(C)c1nc(-c2cccnc2)sc1C[NH2+]C1CC1 ZINC000082439228 178018031 /nfs/dbraw/zinc/01/80/31/178018031.db2.gz SCMZHCAPGCVZMJ-UHFFFAOYSA-N 1 0 287.432 3.755 10 0 CHAERO CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C[NH2+]1 ZINC000095752837 185026758 /nfs/dbraw/zinc/02/67/58/185026758.db2.gz NBBAXAIIMROXQY-CABCVRRESA-N 1 0 298.471 3.656 10 0 CHAERO Cc1ccc(C)c(-c2csc(CCCC[NH3+])n2)c1 ZINC000082569855 178104473 /nfs/dbraw/zinc/10/44/73/178104473.db2.gz YXEPHRYLYAWQGQ-UHFFFAOYSA-N 1 0 260.406 3.708 10 0 CHAERO C[C@@H]([NH3+])c1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000082707087 178215349 /nfs/dbraw/zinc/21/53/49/178215349.db2.gz FEYUNINJNLQAEG-LLVKDONJSA-N 1 0 258.340 3.578 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000082709935 178220747 /nfs/dbraw/zinc/22/07/47/178220747.db2.gz BLDNRHRGZZQCIG-LBPRGKRZSA-N 1 0 272.367 3.839 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2cc(F)ccc2OC)c1 ZINC000082710207 178221745 /nfs/dbraw/zinc/22/17/45/178221745.db2.gz JTQFSVKSJMKSHZ-JTQLQIEISA-N 1 0 277.314 3.921 10 0 CHAERO O=C(c1ccc(Cl)c2ccccc12)C1CC[NH2+]CC1 ZINC000082722088 178237093 /nfs/dbraw/zinc/23/70/93/178237093.db2.gz UCWPBTWYAZFUHY-UHFFFAOYSA-N 1 0 273.763 3.676 10 0 CHAERO CC(C)C[N@@H+]1CCC[C@@]12CCCN(Cc1ccccc1)C2 ZINC000096071382 185087461 /nfs/dbraw/zinc/08/74/61/185087461.db2.gz GALRZBHWJKGDBK-LJQANCHMSA-N 1 0 286.463 3.773 10 0 CHAERO CC(C)[NH2+]Cc1c(Cl)cccc1C(F)(F)F ZINC000083385605 178394455 /nfs/dbraw/zinc/39/44/55/178394455.db2.gz JDKJIZQLABXMCN-UHFFFAOYSA-N 1 0 251.679 3.857 10 0 CHAERO CCCc1cc(OC)c2c(c1OC)[C@@H](C)[NH2+]CC2(C)C ZINC000096889026 185124325 /nfs/dbraw/zinc/12/43/25/185124325.db2.gz VGKDDVPPVDOPBZ-LLVKDONJSA-N 1 0 277.408 3.598 10 0 CHAERO [NH3+][C@@H]1C[C@@H](c2cccc(Cl)c2)Nc2ccccc21 ZINC000097758159 185663131 /nfs/dbraw/zinc/66/31/31/185663131.db2.gz DODHOZRWIDTSRB-HIFRSBDPSA-N 1 0 258.752 3.897 10 0 CHAERO Cc1cc(CC[NH2+]C2CCCC2)ccc1OC(C)C ZINC000098130724 185691932 /nfs/dbraw/zinc/69/19/32/185691932.db2.gz BOVZMPKBZDQVOE-UHFFFAOYSA-N 1 0 261.409 3.857 10 0 CHAERO COc1cc(C)c(C)cc1CCC[NH2+]C1CCCC1 ZINC000098130695 185692127 /nfs/dbraw/zinc/69/21/27/185692127.db2.gz SILDHCAIOWPCGP-UHFFFAOYSA-N 1 0 261.409 3.777 10 0 CHAERO CCc1[nH+]c(-c2ccc(C)cc2C)c(N)n1C(C)C ZINC000103501795 185845279 /nfs/dbraw/zinc/84/52/79/185845279.db2.gz HOMVIGRIUMGGSM-UHFFFAOYSA-N 1 0 257.381 3.892 10 0 CHAERO CC(C)CC[C@H](C)[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000104018444 185883380 /nfs/dbraw/zinc/88/33/80/185883380.db2.gz XFICBIICCNWZFH-JYJNAYRXSA-N 1 0 255.446 3.996 10 0 CHAERO CCC[NH2+][C@H](C)[C@H](CC)c1nc(-c2ccsc2)no1 ZINC000104063044 185889693 /nfs/dbraw/zinc/88/96/93/185889693.db2.gz KZEMOPFFISZICR-PWSUYJOCSA-N 1 0 279.409 3.680 10 0 CHAERO CC(C)C[C@H]([NH3+])CCc1ccc(Br)cc1 ZINC000087521826 179439372 /nfs/dbraw/zinc/43/93/72/179439372.db2.gz XBAUMFGMORJULV-CYBMUJFWSA-N 1 0 270.214 3.755 10 0 CHAERO Cc1cc(C[C@H](C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000104298926 185958498 /nfs/dbraw/zinc/95/84/98/185958498.db2.gz PGNUPMKAINJBSX-LBPRGKRZSA-N 1 0 259.324 3.816 10 0 CHAERO CCCN(c1cccc(Cl)c1C[C@H]([NH3+])CC)C1CC1 ZINC000104278337 185952470 /nfs/dbraw/zinc/95/24/70/185952470.db2.gz WNGDCBMFTXQUPO-GFCCVEGCSA-N 1 0 280.843 3.999 10 0 CHAERO CC[C@@H](C[NH2+]C(C)C)Oc1ccc(SC)cc1 ZINC000104341536 185975800 /nfs/dbraw/zinc/97/58/00/185975800.db2.gz OUNJKNHNJXYHOD-LBPRGKRZSA-N 1 0 253.411 3.564 10 0 CHAERO C[C@@H]1CCC[C@H](Sc2nc3sccn3c2CC[NH3+])C1 ZINC000104437496 186001623 /nfs/dbraw/zinc/00/16/23/186001623.db2.gz UDEGIUQXYBEAIO-MNOVXSKESA-N 1 0 295.477 3.568 10 0 CHAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000104439487 186002007 /nfs/dbraw/zinc/00/20/07/186002007.db2.gz DESISUOUSLGUKD-GFCCVEGCSA-N 1 0 265.397 3.618 10 0 CHAERO C[NH+](C)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccccc2)C1 ZINC000169332732 188659156 /nfs/dbraw/zinc/65/91/56/188659156.db2.gz JKKRCPMOCSTNPD-WOJBJXKFSA-N 1 0 294.442 3.954 10 0 CHAERO Cc1ccccc1Oc1cccc(C2CC[NH2+]CC2)n1 ZINC000257197486 190010309 /nfs/dbraw/zinc/01/03/09/190010309.db2.gz AWPUAZSSUXVBGW-UHFFFAOYSA-N 1 0 268.360 3.649 10 0 CHAERO CCC[NH+](CCC)C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000019982057 184535262 /nfs/dbraw/zinc/53/52/62/184535262.db2.gz LVIWEWLZZVHWMF-CQSZACIVSA-N 1 0 288.357 3.827 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1cc(C)ccc1C ZINC000083441688 135021385 /nfs/dbraw/zinc/02/13/85/135021385.db2.gz UWGNFEFEOCIOIN-HOTGVXAUSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@@H]1CN(c2cccc(C(C)C)c2)[C@@H](CC)C[NH2+]1 ZINC000083441576 135021462 /nfs/dbraw/zinc/02/14/62/135021462.db2.gz NVIBOQFAAZZDOM-CVEARBPZSA-N 1 0 260.425 3.777 10 0 CHAERO CC(C)c1cccc(N2C[C@H](C(C)C)[NH2+]C[C@H]2C)c1 ZINC000083441467 135021478 /nfs/dbraw/zinc/02/14/78/135021478.db2.gz GXBQHYIIAYAPKG-RHSMWYFYSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@H]1CN(c2ccccc2C(C)(C)C)[C@H](C)C[NH2+]1 ZINC000083441451 135021587 /nfs/dbraw/zinc/02/15/87/135021587.db2.gz WWWVMRHPSSUZOF-KGLIPLIRSA-N 1 0 260.425 3.561 10 0 CHAERO CC[C@H]1CN(c2ccccc2Cl)[C@H](C(C)C)C[NH2+]1 ZINC000083493824 135024725 /nfs/dbraw/zinc/02/47/25/135024725.db2.gz IWSRLXJVPNHCLA-WFASDCNBSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@H]1CN(c2ccc(Cl)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000083536438 135027272 /nfs/dbraw/zinc/02/72/72/135027272.db2.gz GCNSMPJAOGOGHS-ZJUUUORDSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1CN(c2cc(Cl)ccc2Cl)[C@H](C)C[NH2+]1 ZINC000083536448 135027610 /nfs/dbraw/zinc/02/76/10/135027610.db2.gz OIAQCANYXOJUNR-KOLCDFICSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H]1CN(c2ccccc2C(C)(C)C)[C@@H](CC)C[NH2+]1 ZINC000083541910 135028309 /nfs/dbraw/zinc/02/83/09/135028309.db2.gz GGRLIUFRFRIIAN-CABCVRRESA-N 1 0 274.452 3.951 10 0 CHAERO Cc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c(C)c1 ZINC000083542117 135028722 /nfs/dbraw/zinc/02/87/22/135028722.db2.gz WXAKDWUYPWZBPZ-SJLPKXTDSA-N 1 0 274.452 3.762 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cccc(SC)c1 ZINC000083587489 135030430 /nfs/dbraw/zinc/03/04/30/135030430.db2.gz NZCSLJJWWCWHAZ-CJNGLKHVSA-N 1 0 278.465 3.621 10 0 CHAERO c1cc(-c2cc[n+](C34CC5CC(CC(C5)C3)C4)cc2)ccn1 ZINC000005280688 170082276 /nfs/dbraw/zinc/08/22/76/170082276.db2.gz JVBGGSTVPNHKJH-UHFFFAOYSA-N 1 0 291.418 3.961 10 0 CHAERO C[n+]1ccccc1C(c1ccccc1)c1ccccc1 ZINC000005377995 170091227 /nfs/dbraw/zinc/09/12/27/170091227.db2.gz MCNHFNUDOVOLMZ-UHFFFAOYSA-N 1 0 260.360 3.691 10 0 CHAERO CC[NH+](CC)C[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000005848358 170146961 /nfs/dbraw/zinc/14/69/61/170146961.db2.gz MSKFOYBVZXTIDV-SFHVURJKSA-N 1 0 281.399 3.995 10 0 CHAERO C[NH+](C)CCC[C@]1(c2ccccc2)OCc2ccccc21 ZINC000005957762 170162308 /nfs/dbraw/zinc/16/23/08/170162308.db2.gz RNMJRHMRVJNPGK-LJQANCHMSA-N 1 0 281.399 3.802 10 0 CHAERO C[NH+](C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000005965166 170163798 /nfs/dbraw/zinc/16/37/98/170163798.db2.gz DXJUCAUQIHNOAF-SJLPKXTDSA-N 1 0 251.373 3.695 10 0 in-vitro CHAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000006538496 170211717 /nfs/dbraw/zinc/21/17/17/170211717.db2.gz NBQFCKNLJYVNDM-GRDNDAEWSA-N 1 0 261.409 4.000 10 0 CHAERO CC(C)[NH2+]Cc1nccn1Cc1ccc(Cl)cc1Cl ZINC000006689176 170226529 /nfs/dbraw/zinc/22/65/29/170226529.db2.gz RPGPEAPRESFKEM-UHFFFAOYSA-N 1 0 298.217 3.736 10 0 CHAERO [NH3+]C[C@H](Cc1cccs1)c1ccc(Cl)cc1 ZINC000011588361 170423420 /nfs/dbraw/zinc/42/34/20/170423420.db2.gz AULCJPUPCASOBQ-NSHDSACASA-N 1 0 251.782 3.687 10 0 CHAERO [NH3+]C[C@@H](Cc1ccccc1F)c1ccccc1Cl ZINC000011588290 170423482 /nfs/dbraw/zinc/42/34/82/170423482.db2.gz LWVIUNPWTCXHBJ-GFCCVEGCSA-N 1 0 263.743 3.764 10 0 CHAERO COc1cccc(C[C@H]([NH3+])Cc2ccc(C(C)C)cc2)c1 ZINC000011601040 170425361 /nfs/dbraw/zinc/42/53/61/170425361.db2.gz OLOFJRAQDCAMKT-GOSISDBHSA-N 1 0 283.415 3.931 10 0 CHAERO COc1cccc(C[C@@H]([NH3+])Cc2ccc(C(C)C)cc2)c1 ZINC000011601037 170425375 /nfs/dbraw/zinc/42/53/75/170425375.db2.gz OLOFJRAQDCAMKT-SFHVURJKSA-N 1 0 283.415 3.931 10 0 CHAERO CC[C@H]1CCCC[C@H]1OCc1ccc(C[NH3+])cc1F ZINC000019803289 170871977 /nfs/dbraw/zinc/87/19/77/170871977.db2.gz CSXXCRKOPXATAD-XJKSGUPXSA-N 1 0 265.372 3.770 10 0 CHAERO Cc1ccc(SCc2cccc(C(N)=[NH2+])c2)c(C)c1 ZINC000019848153 170897769 /nfs/dbraw/zinc/89/77/69/170897769.db2.gz MNZFOEIRDYJXIX-UHFFFAOYSA-N 1 0 270.401 3.880 10 0 CHAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2Cl)c(C)c1 ZINC000019972155 170956823 /nfs/dbraw/zinc/95/68/23/170956823.db2.gz QPIYCTCEPAVRQM-INIZCTEOSA-N 1 0 275.779 3.900 10 0 CHAERO COc1cccc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000020024241 170972382 /nfs/dbraw/zinc/97/23/82/170972382.db2.gz IECDYUMXLIODRW-VBNZEHGJSA-N 1 0 277.408 3.616 10 0 CHAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1 ZINC000020129308 171016890 /nfs/dbraw/zinc/01/68/90/171016890.db2.gz MEBXHYYUBTYHNN-QAPCUYQASA-N 1 0 268.404 3.640 10 0 CHAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129360 171017357 /nfs/dbraw/zinc/01/73/57/171017357.db2.gz PLJNDDORYZAITQ-RDTXWAMCSA-N 1 0 286.394 3.779 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cccc(F)c1 ZINC000020147760 171035413 /nfs/dbraw/zinc/03/54/13/171035413.db2.gz ZGXJIZBUQRPMKU-SNVBAGLBSA-N 1 0 265.278 3.955 10 0 CHAERO CCOc1ccc([C@H](C)[NH2+]C2CCCC2)cc1F ZINC000020177165 171043164 /nfs/dbraw/zinc/04/31/64/171043164.db2.gz RBTZFBFMVGUNDZ-NSHDSACASA-N 1 0 251.345 3.818 10 0 CHAERO C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)[C@H]1CCCO1 ZINC000020206413 171071010 /nfs/dbraw/zinc/07/10/10/171071010.db2.gz PKJBEXBXBOKRKI-SCLBCKFNSA-N 1 0 279.383 3.914 10 0 CHAERO [NH3+][C@H]1CCCc2c3cc(Cl)cc(Cl)c3[nH]c21 ZINC000020217072 171078892 /nfs/dbraw/zinc/07/88/92/171078892.db2.gz NFOUGTFNRFNCTA-JTQLQIEISA-N 1 0 255.148 3.811 10 0 CHAERO Clc1cccc(Cl)c1OCC[C@H]1CCCC[NH2+]1 ZINC000020221552 171083194 /nfs/dbraw/zinc/08/31/94/171083194.db2.gz KJOHFVLABYARBK-SNVBAGLBSA-N 1 0 274.191 3.904 10 0 CHAERO Cc1ccccc1[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000020225447 171088176 /nfs/dbraw/zinc/08/81/76/171088176.db2.gz MFHRFQWXZHMRPV-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO Cc1ccc(CN(C)c2ccccc2[C@H](C)[NH3+])cc1 ZINC000020264681 171121504 /nfs/dbraw/zinc/12/15/04/171121504.db2.gz IDSIXBKGXCTXHB-AWEZNQCLSA-N 1 0 254.377 3.651 10 0 CHAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)CCC3)cc1F ZINC000020384606 171175171 /nfs/dbraw/zinc/17/51/71/171175171.db2.gz SOLFKLUBSCSJOU-QGZVFWFLSA-N 1 0 255.336 3.671 10 0 CHAERO CCc1ccc(-n2cc(C[NH3+])c(-c3ccc(F)cc3)n2)cc1 ZINC000020390806 171179293 /nfs/dbraw/zinc/17/92/93/171179293.db2.gz VQBUJWHUDMZOSS-UHFFFAOYSA-N 1 0 295.361 3.700 10 0 CHAERO Cc1cccc([C@H]([NH3+])Cc2nc3ccccc3s2)c1 ZINC000020428602 171194021 /nfs/dbraw/zinc/19/40/21/171194021.db2.gz WDADBRCHSTXNFU-CYBMUJFWSA-N 1 0 268.385 3.847 10 0 CHAERO COC(=O)CC[NH+](C1CCCCC1)C1CCCCC1 ZINC000020433377 171198252 /nfs/dbraw/zinc/19/82/52/171198252.db2.gz VJHMUBVGJBAXGQ-UHFFFAOYSA-N 1 0 267.413 3.517 10 0 CHAERO CC(C)c1ccc(COc2cccc(C[NH3+])c2)cc1 ZINC000020475689 171219637 /nfs/dbraw/zinc/21/96/37/171219637.db2.gz GUQPCZOIFKBGAS-UHFFFAOYSA-N 1 0 255.361 3.848 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1sccc1C ZINC000020484718 171224466 /nfs/dbraw/zinc/22/44/66/171224466.db2.gz PCWFAACTXVUQML-AWEZNQCLSA-N 1 0 268.470 3.959 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)C1CCCCC1 ZINC000020485011 171224602 /nfs/dbraw/zinc/22/46/02/171224602.db2.gz DDFJJTIKWQMTON-MRXNPFEDSA-N 1 0 254.462 3.796 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccc(C)cc2)cc1Cl ZINC000020521933 171235552 /nfs/dbraw/zinc/23/55/52/171235552.db2.gz ONALHHNOSFQZKM-OAHLLOKOSA-N 1 0 261.752 3.705 10 0 CHAERO Clc1ccc(OCCC[NH2+]C2CC2)c(Cl)c1 ZINC000020525230 171238269 /nfs/dbraw/zinc/23/82/69/171238269.db2.gz QJAKDDAUXHYEDD-UHFFFAOYSA-N 1 0 260.164 3.514 10 0 CHAERO CCC(C)(C)c1ccc(OC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020545640 171243725 /nfs/dbraw/zinc/24/37/25/171243725.db2.gz DKEKBNHYPINASG-HNNXBMFYSA-N 1 0 261.409 3.895 10 0 CHAERO CC(C)c1cccc(O[C@@H]2COc3ccccc3[C@H]2[NH3+])c1 ZINC000020546445 171243939 /nfs/dbraw/zinc/24/39/39/171243939.db2.gz GQGOTYOCHLVRCI-QZTJIDSGSA-N 1 0 283.371 3.650 10 0 CHAERO COc1ccc(C)cc1[C@@H]([NH3+])COc1cc(C)ccc1C ZINC000020546524 171244053 /nfs/dbraw/zinc/24/40/53/171244053.db2.gz XATVQBUXIVFECM-INIZCTEOSA-N 1 0 285.387 3.699 10 0 CHAERO CCN(c1cccc2ccccc21)[C@@H](C[NH3+])C(C)C ZINC000020546373 171244106 /nfs/dbraw/zinc/24/41/06/171244106.db2.gz RVBHYXZEKDWXEX-KRWDZBQOSA-N 1 0 256.393 3.649 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2cc(C)ccc2C)cc1 ZINC000020547304 171245109 /nfs/dbraw/zinc/24/51/09/171245109.db2.gz DWMRISYJOIWDFZ-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000020553860 171249216 /nfs/dbraw/zinc/24/92/16/171249216.db2.gz GKCKRBUBVLXVJP-YESZJQIVSA-N 1 0 297.483 3.767 10 0 CHAERO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC000020554056 171249281 /nfs/dbraw/zinc/24/92/81/171249281.db2.gz CUOQRRVBWQMGCX-IAQYHMDHSA-N 1 0 286.822 3.716 10 0 CHAERO Cc1ccccc1O[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020554553 171249636 /nfs/dbraw/zinc/24/96/36/171249636.db2.gz BOLBSPIRZRROMU-OFQRWUPVSA-N 1 0 261.409 3.916 10 0 CHAERO Cc1ccccc1OC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020559064 171251088 /nfs/dbraw/zinc/25/10/88/171251088.db2.gz XKSWVNJQJQZTNL-ZJIILYSQSA-N 1 0 285.431 3.918 10 0 CHAERO [NH3+][C@H]1c2ccccc2C[C@@H]1Oc1ccccc1C(F)(F)F ZINC000020563852 171252921 /nfs/dbraw/zinc/25/29/21/171252921.db2.gz HAGRLYNELFYYBN-GJZGRUSLSA-N 1 0 293.288 3.709 10 0 CHAERO CCC[NH+]1CCC(Nc2ccc(F)cc2Cl)CC1 ZINC000020595234 171264036 /nfs/dbraw/zinc/26/40/36/171264036.db2.gz FZTCICKUCLARBK-UHFFFAOYSA-N 1 0 270.779 3.765 10 0 CHAERO Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000020595933 171264348 /nfs/dbraw/zinc/26/43/48/171264348.db2.gz CXGJOZDZDDWDDP-GOSISDBHSA-N 1 0 266.388 3.681 10 0 CHAERO Fc1cccc(F)c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020596031 171264548 /nfs/dbraw/zinc/26/45/48/171264548.db2.gz CFBRQCAIKJFQGT-AWEZNQCLSA-N 1 0 288.341 3.651 10 0 CHAERO Fc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595850 171264718 /nfs/dbraw/zinc/26/47/18/171264718.db2.gz CIEOGISLVKTMAL-KRWDZBQOSA-N 1 0 270.351 3.512 10 0 CHAERO CC[C@@H]1[NH2+]Cc2c3c(sc2-n2cccc21)CCCC3 ZINC000020864954 171276941 /nfs/dbraw/zinc/27/69/41/171276941.db2.gz BOVOQZHMPKTVBK-ZDUSSCGKSA-N 1 0 272.417 3.972 10 0 CHAERO CCCOc1c(Cl)cc(C[NH2+]CCOC)cc1Cl ZINC000020926475 171280208 /nfs/dbraw/zinc/28/02/08/171280208.db2.gz ANARIHQOTPFMSR-UHFFFAOYSA-N 1 0 292.206 3.518 10 0 CHAERO CCCOc1ccc(C[NH2+]Cc2cccnc2)cc1Cl ZINC000020925465 171280511 /nfs/dbraw/zinc/28/05/11/171280511.db2.gz BFIXTEPBKAWKFM-UHFFFAOYSA-N 1 0 290.794 3.814 10 0 CHAERO CCCCC[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC000020931035 171281126 /nfs/dbraw/zinc/28/11/26/171281126.db2.gz GTIDSGHREVXWQY-UHFFFAOYSA-N 1 0 265.397 3.764 10 0 CHAERO [NH3+][C@H]1c2ccccc2CCC[C@H]1Oc1cccc(F)c1 ZINC000021008805 171285560 /nfs/dbraw/zinc/28/55/60/171285560.db2.gz BWTCVCSSOVLPCE-SJORKVTESA-N 1 0 271.335 3.609 10 0 CHAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000021009270 171285986 /nfs/dbraw/zinc/28/59/86/171285986.db2.gz MADBCCZIIUCEMA-FJIDUMEYSA-N 1 0 297.483 3.623 10 0 CHAERO CC[C@H](C)C[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000021012551 171288078 /nfs/dbraw/zinc/28/80/78/171288078.db2.gz CHXSPNUEKREPTK-DOTOQJQBSA-N 1 0 262.441 3.705 10 0 CHAERO CC[C@@H](Oc1ccc(C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000021013112 171288457 /nfs/dbraw/zinc/28/84/57/171288457.db2.gz YFXWRBCYRWMRCS-IAGOWNOFSA-N 1 0 255.361 3.852 10 0 CHAERO Cc1cccc(O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000021014027 171289012 /nfs/dbraw/zinc/28/90/12/171289012.db2.gz PFTXUJDZDAETFF-BPUTZDHNSA-N 1 0 261.409 3.916 10 0 CHAERO CC(C)CCOC[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000021020175 171290591 /nfs/dbraw/zinc/29/05/91/171290591.db2.gz WBRQUWFEJWHWMV-KRWDZBQOSA-N 1 0 263.425 3.948 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+]([C@@]2(CN)C[C@@H](C)CC(C)(C)C2)C1 ZINC000021027058 171291200 /nfs/dbraw/zinc/29/12/00/171291200.db2.gz ISLDIGDXLBNQAF-JKQORVJESA-N 1 0 266.473 3.508 10 0 CHAERO CCCCC[C@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000021055468 171295541 /nfs/dbraw/zinc/29/55/41/171295541.db2.gz XWNCOVFIPCXJEU-HNNXBMFYSA-N 1 0 254.462 3.809 10 0 CHAERO Cc1cc2ncn([C@H]3CCCCCC[C@@H]3[NH3+])c2cc1C ZINC000021503197 171306567 /nfs/dbraw/zinc/30/65/67/171306567.db2.gz GSMOLNWKMXOKLS-HOCLYGCPSA-N 1 0 271.408 3.876 10 0 CHAERO CC(C)(C)c1ccc(O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000021504120 171306983 /nfs/dbraw/zinc/30/69/83/171306983.db2.gz BVTRZYUXHYGDRH-MSOLQXFVSA-N 1 0 281.399 3.988 10 0 CHAERO CC(C)[N@H+](C)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000021506290 171307960 /nfs/dbraw/zinc/30/79/60/171307960.db2.gz MPESZTSTNVOYIF-JKSUJKDBSA-N 1 0 254.462 3.937 10 0 CHAERO CC[C@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1ccc(C)cc1 ZINC000021508600 171309195 /nfs/dbraw/zinc/30/91/95/171309195.db2.gz REMOWKPXBYFBDZ-UAGQMJEPSA-N 1 0 261.409 3.980 10 0 CHAERO c1[nH]c2ccccc2c1CC[NH2+]CCCc1ccccc1 ZINC000021512272 171311067 /nfs/dbraw/zinc/31/10/67/171311067.db2.gz IVASPYPCUQTGIG-UHFFFAOYSA-N 1 0 278.399 3.933 10 0 CHAERO CC(C)N(CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(C)C ZINC000021788809 171323163 /nfs/dbraw/zinc/32/31/63/171323163.db2.gz GTUPWGGTHRMTGK-CVEARBPZSA-N 1 0 268.489 3.910 10 0 CHAERO CCOc1ccc([C@H]([NH3+])COc2ccc(CC)cc2)cc1 ZINC000021809347 171328656 /nfs/dbraw/zinc/32/86/56/171328656.db2.gz KBVTWYYRSMIJMB-GOSISDBHSA-N 1 0 285.387 3.727 10 0 CHAERO Cc1ccc(OC[C@@H]([NH3+])c2ccccc2C)c(C)c1 ZINC000021809353 171328691 /nfs/dbraw/zinc/32/86/91/171328691.db2.gz BAPUWYCQPISTRV-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO [NH3+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1Oc1ccccc1 ZINC000021812241 171329837 /nfs/dbraw/zinc/32/98/37/171329837.db2.gz HKZIXNDMXQQEDV-SZMVWBNQSA-N 1 0 267.372 3.729 10 0 CHAERO CCC[NH+](CCC)C[C@@H](N)c1cccc2ccccc21 ZINC000021813333 171330636 /nfs/dbraw/zinc/33/06/36/171330636.db2.gz GTWSHEVZJGUEEQ-GOSISDBHSA-N 1 0 270.420 3.962 10 0 CHAERO CC(C)[C@H](C[NH2+]C1[C@H](C)CCC[C@@H]1C)N1CCCC1 ZINC000021815991 171332647 /nfs/dbraw/zinc/33/26/47/171332647.db2.gz QPKOHMROELBOMG-TVXGVJEUSA-N 1 0 266.473 3.521 10 0 CHAERO C[C@H]([NH3+])CCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000022178206 171371720 /nfs/dbraw/zinc/37/17/20/171371720.db2.gz NYGUDDSVLJHLPK-ZDUSSCGKSA-N 1 0 273.351 3.685 10 0 CHAERO CC[C@H]([NH3+])c1ccc(OCc2cccc(F)c2)cc1 ZINC000022212768 171374446 /nfs/dbraw/zinc/37/44/46/171374446.db2.gz LGUSWQWFLDYGQJ-INIZCTEOSA-N 1 0 259.324 3.815 10 0 CHAERO C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N(C)c2ccccc2)o1 ZINC000022218956 171376873 /nfs/dbraw/zinc/37/68/73/171376873.db2.gz CSQYHTXZDAMJPV-AEGPPILISA-N 1 0 270.376 3.539 10 0 CHAERO Cc1cccc(C(=O)Nc2ccccc2[C@H](C)[NH3+])c1C ZINC000022220649 171377967 /nfs/dbraw/zinc/37/79/67/171377967.db2.gz CTHONUFRIKDXPB-ZDUSSCGKSA-N 1 0 268.360 3.575 10 0 CHAERO Cc1cccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000022223862 171379597 /nfs/dbraw/zinc/37/95/97/171379597.db2.gz WOBFPHQMVWUMSO-LBPRGKRZSA-N 1 0 269.348 3.659 10 0 CHAERO CC[C@@H]([NH3+])[C@H](C)Oc1ccccc1-c1ccccc1 ZINC000022562408 171390977 /nfs/dbraw/zinc/39/09/77/171390977.db2.gz UVXAWMTVHHLFGW-XJKSGUPXSA-N 1 0 255.361 3.858 10 0 CHAERO [NH3+][C@@H]1c2ccccc2CCC[C@H]1Oc1ccccc1F ZINC000022566169 171391845 /nfs/dbraw/zinc/39/18/45/171391845.db2.gz BCSDTOLODYHELK-IAGOWNOFSA-N 1 0 271.335 3.609 10 0 CHAERO [NH3+][C@@H]1c2ccccc2CCC[C@@H]1n1cnc2ccccc21 ZINC000022566325 171391903 /nfs/dbraw/zinc/39/19/03/171391903.db2.gz PQJNXJRFBMYEMX-ZWKOTPCHSA-N 1 0 277.371 3.614 10 0 CHAERO FC(F)(F)COc1cccc(Cl)c1C[NH2+]C1CC1 ZINC000034825739 171880313 /nfs/dbraw/zinc/88/03/13/171880313.db2.gz HRWWRWZPFMUZFW-UHFFFAOYSA-N 1 0 279.689 3.533 10 0 CHAERO C[C@H]1CCC[C@@H](Oc2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000034835855 171882521 /nfs/dbraw/zinc/88/25/21/171882521.db2.gz WIZIBMCFBIAKGM-SUMWQHHRSA-N 1 0 259.393 3.896 10 0 CHAERO C=COCCC[NH2+]Cc1c2ccccc2oc1CC ZINC000035017849 171935129 /nfs/dbraw/zinc/93/51/29/171935129.db2.gz RESHEXINNPOSJM-UHFFFAOYSA-N 1 0 259.349 3.635 10 0 CHAERO CCNC(=O)[C@H](C)[NH2+]C1CCCCCCCCCCC1 ZINC000035136199 172003622 /nfs/dbraw/zinc/00/36/22/172003622.db2.gz UJFSZUHRAFOGBL-HNNXBMFYSA-N 1 0 282.472 3.774 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@@]1(CN)CCCC[C@@H]1C ZINC000035176749 172029813 /nfs/dbraw/zinc/02/98/13/172029813.db2.gz FVVOFXWQDUDYGR-GOEBONIOSA-N 1 0 252.446 3.549 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000035199179 172044809 /nfs/dbraw/zinc/04/48/09/172044809.db2.gz MJOZLXPGJGJHQP-LBPRGKRZSA-N 1 0 269.348 3.611 10 0 CHAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000035258020 172089400 /nfs/dbraw/zinc/08/94/00/172089400.db2.gz WJWVGHURQIOEQY-QWHCGFSZSA-N 1 0 257.299 3.897 10 0 CHAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000035258021 172089765 /nfs/dbraw/zinc/08/97/65/172089765.db2.gz WJWVGHURQIOEQY-STQMWFEESA-N 1 0 257.299 3.897 10 0 CHAERO Cc1ccccc1CNc1ccccc1C[NH+](C)C ZINC000035276658 172096467 /nfs/dbraw/zinc/09/64/67/172096467.db2.gz YJYSIGRGEZPXGI-UHFFFAOYSA-N 1 0 254.377 3.669 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2cc3c(s2)CCC3)c(C)c1 ZINC000035381200 172163191 /nfs/dbraw/zinc/16/31/91/172163191.db2.gz GWIDDWZVDMMPBP-MRXNPFEDSA-N 1 0 273.401 3.602 10 0 CHAERO COc1ccc([C@H]([NH3+])c2sccc2C)cc1Cl ZINC000035381592 172164660 /nfs/dbraw/zinc/16/46/60/172164660.db2.gz GNNFMNHXHXKUCR-LBPRGKRZSA-N 1 0 267.781 3.767 10 0 CHAERO C[C@H]([NH3+])c1ccc2ccccc2c1OCc1cccnc1 ZINC000035427331 172194635 /nfs/dbraw/zinc/19/46/35/172194635.db2.gz BOLKTKXNPCHJHC-ZDUSSCGKSA-N 1 0 278.355 3.834 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)c(Br)c1)C(C)(C)C ZINC000035455163 172206902 /nfs/dbraw/zinc/20/69/02/172206902.db2.gz KYWAITKTYWFRGG-LBPRGKRZSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc2c(c1)CCC2 ZINC000035458970 172208309 /nfs/dbraw/zinc/20/83/09/172208309.db2.gz UIZRNJPYKQYHAA-MRXNPFEDSA-N 1 0 257.402 3.854 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035459090 172208679 /nfs/dbraw/zinc/20/86/79/172208679.db2.gz XZVNZEKDXCWPDX-ZDUSSCGKSA-N 1 0 253.317 3.644 10 0 CHAERO CCc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C)s1 ZINC000035461016 172209774 /nfs/dbraw/zinc/20/97/74/172209774.db2.gz RGTPEJMPNAWHKD-AWEZNQCLSA-N 1 0 263.381 3.953 10 0 CHAERO C[NH2+][C@H](c1ccsc1)c1ccc(OC)c(Cl)c1 ZINC000035461578 172209850 /nfs/dbraw/zinc/20/98/50/172209850.db2.gz QZJRRDZJKAJYGU-ZDUSSCGKSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000035462897 172210610 /nfs/dbraw/zinc/21/06/10/172210610.db2.gz LDWYKYHZEGNHCL-CQSZACIVSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)cc1)C1CCCC1 ZINC000035462948 172210621 /nfs/dbraw/zinc/21/06/21/172210621.db2.gz STLSOZVOALZWNT-ZDUSSCGKSA-N 1 0 268.198 3.900 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000035463696 172211480 /nfs/dbraw/zinc/21/14/80/172211480.db2.gz WAJWPVQELNCIBC-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000035463569 172211490 /nfs/dbraw/zinc/21/14/90/172211490.db2.gz ITRDRWOROQMDLV-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000035463567 172211900 /nfs/dbraw/zinc/21/19/00/172211900.db2.gz ITRDRWOROQMDLV-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000035464453 172212295 /nfs/dbraw/zinc/21/22/95/172212295.db2.gz VCGVFNLIURYENK-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1cc(F)ccc1F ZINC000035468573 172217434 /nfs/dbraw/zinc/21/74/34/172217434.db2.gz ABDBTRUEXKRKNA-LBPRGKRZSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@H](c1ccc(C)cc1C)c1ccccc1OC ZINC000035468238 172217697 /nfs/dbraw/zinc/21/76/97/172217697.db2.gz VOYUFCCFOMCDLV-QGZVFWFLSA-N 1 0 255.361 3.621 10 0 CHAERO CCC[C@H]([NH2+]C)c1ccc(OCC)c(OCC)c1 ZINC000035489232 172224000 /nfs/dbraw/zinc/22/40/00/172224000.db2.gz MZQAJFDOWUSAMA-ZDUSSCGKSA-N 1 0 251.370 3.545 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc(F)cc1F ZINC000035491526 172225279 /nfs/dbraw/zinc/22/52/79/172225279.db2.gz ABMOVUZJQKIUEO-GFCCVEGCSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)[C@H]1Cc2ccccc2O1 ZINC000035498173 172231117 /nfs/dbraw/zinc/23/11/17/172231117.db2.gz JZRFZIIRUAPRAF-RISCZKNCSA-N 1 0 279.792 3.666 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(OC)cc1 ZINC000035498408 172232277 /nfs/dbraw/zinc/23/22/77/172232277.db2.gz CUCIJDHMQDLNCZ-CYBMUJFWSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@H](c1cc(F)ccc1OC)C1CCCCC1 ZINC000035499247 172232698 /nfs/dbraw/zinc/23/26/98/172232698.db2.gz RKYVUBZJMDRCON-HNNXBMFYSA-N 1 0 251.345 3.675 10 0 CHAERO CC[C@H](C)[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCCO2 ZINC000035501153 172235225 /nfs/dbraw/zinc/23/52/25/172235225.db2.gz AWHULWFWNZJNGX-ZUZCIYMTSA-N 1 0 283.799 3.808 10 0 CHAERO CC[C@H](C)[C@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501251 172235872 /nfs/dbraw/zinc/23/58/72/172235872.db2.gz GHLWKVMFBNNIIF-XPTSAGLGSA-N 1 0 271.788 3.664 10 0 CHAERO CCCC[C@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501206 172236004 /nfs/dbraw/zinc/23/60/04/172236004.db2.gz DTKYVWXIQBGQJC-LBPRGKRZSA-N 1 0 271.788 3.808 10 0 CHAERO C[NH2+][C@H](c1cccnc1)c1cc(Cl)ccc1Cl ZINC000035501882 172236813 /nfs/dbraw/zinc/23/68/13/172236813.db2.gz PTVMGGIJDZLVJF-CYBMUJFWSA-N 1 0 267.159 3.697 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(Br)c1)[C@@H]1C[C@@H]1C ZINC000035508659 172241060 /nfs/dbraw/zinc/24/10/60/172241060.db2.gz UIFUGNHPXBIWHD-PXWWUCIGSA-N 1 0 298.224 3.764 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC)cc1 ZINC000035510333 172241872 /nfs/dbraw/zinc/24/18/72/172241872.db2.gz MCFDQLGTTBCSNK-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@H](c1ccoc1)c1ccc(OC)c(Cl)c1 ZINC000035538255 172244710 /nfs/dbraw/zinc/24/47/10/172244710.db2.gz ISZLCIFELAVODN-AWEZNQCLSA-N 1 0 265.740 3.641 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)c(Cl)c1 ZINC000035538702 172244823 /nfs/dbraw/zinc/24/48/23/172244823.db2.gz XKRWWGIWVSNMIN-JTQLQIEISA-N 1 0 281.705 3.952 10 0 CHAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000035539552 172245825 /nfs/dbraw/zinc/24/58/25/172245825.db2.gz FXODONYJXJLTCO-CYBMUJFWSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000035540389 172246660 /nfs/dbraw/zinc/24/66/60/172246660.db2.gz OGOSXZZNZXFXGN-JTQLQIEISA-N 1 0 251.679 3.943 10 0 CHAERO CC[NH2+][C@H](c1ccc2c(c1)OCCCO2)[C@@H](C)CC ZINC000035541550 172249388 /nfs/dbraw/zinc/24/93/88/172249388.db2.gz MURZZERHXUUYNV-LRDDRELGSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1cc2c(s1)CCC2 ZINC000035545258 172253270 /nfs/dbraw/zinc/25/32/70/172253270.db2.gz PHPBAVXCILTOKF-AWEZNQCLSA-N 1 0 263.431 3.997 10 0 CHAERO CC[NH2+][C@H](CC)c1cc2c(cc1Cl)OCCCO2 ZINC000035557328 172262402 /nfs/dbraw/zinc/26/24/02/172262402.db2.gz VMQKUMASYCOMLK-GFCCVEGCSA-N 1 0 269.772 3.562 10 0 CHAERO CC[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)C(C)C ZINC000035557528 172262591 /nfs/dbraw/zinc/26/25/91/172262591.db2.gz ZFKBWMYVVMTABX-AWEZNQCLSA-N 1 0 271.788 3.664 10 0 CHAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1c(Cl)cccc1Cl ZINC000035570521 172266574 /nfs/dbraw/zinc/26/65/74/172266574.db2.gz VXDAAZWLNDXWOS-LLVKDONJSA-N 1 0 284.190 3.610 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc(OC)c(C)c1 ZINC000035571365 172266978 /nfs/dbraw/zinc/26/69/78/172266978.db2.gz NKAPPMDUBPCERY-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@H](CC)c1cc(Br)ccc1OCC ZINC000035571163 172267720 /nfs/dbraw/zinc/26/77/20/172267720.db2.gz ZVGNJTZZPQPUIJ-GFCCVEGCSA-N 1 0 286.213 3.908 10 0 CHAERO CCC[NH2+][C@H](c1ccoc1)c1cc(F)ccc1F ZINC000035580032 172275514 /nfs/dbraw/zinc/27/55/14/172275514.db2.gz XRTZPSSJFSMDTN-CQSZACIVSA-N 1 0 251.276 3.647 10 0 CHAERO CCC[NH2+][C@@H](c1cccs1)c1cccc(OC)c1 ZINC000035581256 172277230 /nfs/dbraw/zinc/27/72/30/172277230.db2.gz FBHTXQPVERTWNT-OAHLLOKOSA-N 1 0 261.390 3.846 10 0 CHAERO CCC[NH2+][C@H](c1cccs1)c1cccc(OC)c1 ZINC000035581255 172277457 /nfs/dbraw/zinc/27/74/57/172277457.db2.gz FBHTXQPVERTWNT-HNNXBMFYSA-N 1 0 261.390 3.846 10 0 CHAERO CCC[NH2+][C@H](c1ccoc1C)c1ccc(F)c(F)c1 ZINC000035582366 172279950 /nfs/dbraw/zinc/27/99/50/172279950.db2.gz INKDSGSQMUNZMA-HNNXBMFYSA-N 1 0 265.303 3.955 10 0 CHAERO CCCC[C@H](CC)[C@@H]([NH2+]CCC)c1cnn(C)c1 ZINC000035584161 172283331 /nfs/dbraw/zinc/28/33/31/172283331.db2.gz NKKODNRLEYPESO-DZGCQCFKSA-N 1 0 251.418 3.677 10 0 CHAERO Cc1ccc(COc2ccc(C)cc2[C@H](C)[NH3+])cc1 ZINC000035629451 172309676 /nfs/dbraw/zinc/30/96/76/172309676.db2.gz QYHVYVDDDOGIFU-AWEZNQCLSA-N 1 0 255.361 3.902 10 0 CHAERO Cc1ccc(OCc2ccccc2C)c([C@H](C)[NH3+])c1 ZINC000035629437 172310195 /nfs/dbraw/zinc/31/01/95/172310195.db2.gz BNAJOZPDPOVTLY-AWEZNQCLSA-N 1 0 255.361 3.902 10 0 CHAERO CC[NH2+]Cc1c(OCC(C)C)ccc2ccccc21 ZINC000035630659 172311943 /nfs/dbraw/zinc/31/19/43/172311943.db2.gz QQJSJJRFGGZZSN-UHFFFAOYSA-N 1 0 257.377 3.984 10 0 CHAERO CCC[C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000035635050 172319352 /nfs/dbraw/zinc/31/93/52/172319352.db2.gz WCHLJBQBPKPXDT-CHWSQXEVSA-N 1 0 262.397 3.732 10 0 CHAERO CC[NH2+][C@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000035654179 172330171 /nfs/dbraw/zinc/33/01/71/172330171.db2.gz YEKMTTLMDMKTRT-NSHDSACASA-N 1 0 260.164 3.817 10 0 CHAERO CCC[NH2+][C@H]1CCCOc2c(Cl)ccc(C)c21 ZINC000035657716 172332210 /nfs/dbraw/zinc/33/22/10/172332210.db2.gz UKBFHJUZMVOFJJ-LBPRGKRZSA-N 1 0 253.773 3.862 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1ccc(F)cc1F ZINC000035722036 172377831 /nfs/dbraw/zinc/37/78/31/172377831.db2.gz VROIHSOWZZKCGL-GWCFXTLKSA-N 1 0 271.376 3.965 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1cc(F)ccc1F ZINC000035725003 172380135 /nfs/dbraw/zinc/38/01/35/172380135.db2.gz ZWBRADUGHHYEEL-GWCFXTLKSA-N 1 0 271.376 3.965 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(-n2ccnc2)cc1 ZINC000035738581 172392160 /nfs/dbraw/zinc/39/21/60/172392160.db2.gz UHKDNLNRRTVVGX-KGLIPLIRSA-N 1 0 281.359 3.877 10 0 CHAERO Cc1csc(C[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000036281152 172571850 /nfs/dbraw/zinc/57/18/50/172571850.db2.gz OGVOLLOIHCWEKC-CQSZACIVSA-N 1 0 260.406 3.817 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)cc1F)C(CC)CC ZINC000036766933 172685563 /nfs/dbraw/zinc/68/55/63/172685563.db2.gz XAFYSPBFHVCAFZ-HNNXBMFYSA-N 1 0 253.361 3.921 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2)c(C)n1 ZINC000037187738 173018544 /nfs/dbraw/zinc/01/85/44/173018544.db2.gz DYPHNTPDFIGZBA-AWEZNQCLSA-N 1 0 254.377 3.858 10 0 CHAERO CC[NH+](CC)CCCNc1nc2cc(C)ccc2s1 ZINC000037206636 173027366 /nfs/dbraw/zinc/02/73/66/173027366.db2.gz OEDJFQWIBRFUFO-UHFFFAOYSA-N 1 0 277.437 3.749 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+]CCC3=CCCCC3)n12 ZINC000037216771 173035799 /nfs/dbraw/zinc/03/57/99/173035799.db2.gz GFGYVDYVHSISDU-UHFFFAOYSA-N 1 0 289.448 3.993 10 0 CHAERO C[C@H](Nc1ccc(F)cc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000037222087 173041666 /nfs/dbraw/zinc/04/16/66/173041666.db2.gz OVMRPCYHRDGWKZ-WDEREUQCSA-N 1 0 270.779 3.621 10 0 CHAERO CC(C)[C@H](CN[C@H](C)c1ccc(F)cc1Cl)[NH+](C)C ZINC000037233294 173052698 /nfs/dbraw/zinc/05/26/98/173052698.db2.gz DDQZQKWTEOVYAU-ABAIWWIYSA-N 1 0 286.822 3.716 10 0 CHAERO CC(C)=CCN1CCC([NH2+][C@H](C)c2cccs2)CC1 ZINC000037235328 173053442 /nfs/dbraw/zinc/05/34/42/173053442.db2.gz LUCGKABLEPZKHO-CQSZACIVSA-N 1 0 278.465 3.829 10 0 CHAERO CC(C)C[C@H](C)[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000037255453 173066031 /nfs/dbraw/zinc/06/60/31/173066031.db2.gz DXZSQLLWBUSPNU-JSGCOSHPSA-N 1 0 277.437 3.595 10 0 CHAERO c1csc(C[C@@H]([NH2+]C2CCOCC2)c2cccs2)c1 ZINC000037269749 173081334 /nfs/dbraw/zinc/08/13/34/173081334.db2.gz ICLCGRGDNCMZII-CQSZACIVSA-N 1 0 293.457 3.862 10 0 CHAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037303488 173108640 /nfs/dbraw/zinc/10/86/40/173108640.db2.gz LETHOSYPAFZJBO-DGCLKSJQSA-N 1 0 274.389 3.626 10 0 CHAERO CC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037337211 173138213 /nfs/dbraw/zinc/13/82/13/173138213.db2.gz RPBLXOYFUBESEV-WFASDCNBSA-N 1 0 261.409 3.853 10 0 CHAERO Cc1ccc(C(=O)[C@H](C)[N@@H+](C)[C@@H](C)C(C)C)cc1C ZINC000037339084 173140033 /nfs/dbraw/zinc/14/00/33/173140033.db2.gz WGIHDUASLBKQJU-GJZGRUSLSA-N 1 0 261.409 3.851 10 0 CHAERO CCC[C@@H](C)[N@H+](C)[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000037339353 173140659 /nfs/dbraw/zinc/14/06/59/173140659.db2.gz XUNGJDZTPIDLGM-MNOVXSKESA-N 1 0 269.335 3.656 10 0 CHAERO CC[C@H](C)c1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000037413371 173190064 /nfs/dbraw/zinc/19/00/64/173190064.db2.gz WOLVWZMMSQAXPR-GUYCJALGSA-N 1 0 258.409 3.706 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@@H]([NH3+])[C@@H](C)CC ZINC000037438358 173209001 /nfs/dbraw/zinc/20/90/01/173209001.db2.gz RMSLVSSUFUKPNH-WFASDCNBSA-N 1 0 259.397 3.801 10 0 CHAERO CCCn1c2ccc(Br)cc2nc1[C@H]([NH3+])CC ZINC000037441613 173210940 /nfs/dbraw/zinc/21/09/40/173210940.db2.gz YPAGSISJOADPRT-SNVBAGLBSA-N 1 0 296.212 3.619 10 0 CHAERO CCCn1c2cccc(F)c2nc1[C@](C)([NH3+])CCC ZINC000037442727 173211269 /nfs/dbraw/zinc/21/12/69/173211269.db2.gz LHKGVPFVQRPHGE-OAHLLOKOSA-N 1 0 263.360 3.559 10 0 CHAERO CC(C)[C@H]([NH3+])c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444420 173212119 /nfs/dbraw/zinc/21/21/19/173212119.db2.gz ZCAKNSUGLBKVFG-LBPRGKRZSA-N 1 0 263.772 3.680 10 0 CHAERO Cc1cccc([C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000037466572 173226557 /nfs/dbraw/zinc/22/65/57/173226557.db2.gz OUMWHMYLUPHGKW-CQSZACIVSA-N 1 0 276.177 3.806 10 0 CHAERO C[C@]([NH3+])(Cc1ccc(Br)cc1)c1ccccc1 ZINC000037531037 173253239 /nfs/dbraw/zinc/25/32/39/173253239.db2.gz UIRCRWDENAMOOZ-HNNXBMFYSA-N 1 0 290.204 3.866 10 0 CHAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)Cc1ccccc1F ZINC000037534805 173254253 /nfs/dbraw/zinc/25/42/53/173254253.db2.gz JVKOQHGPGSRSTR-OAHLLOKOSA-N 1 0 277.770 3.852 10 0 CHAERO [NH3+][C@H](CCc1nc2ccccc2s1)c1ccccc1 ZINC000037600208 173553704 /nfs/dbraw/zinc/55/37/04/173553704.db2.gz DNIYNSCFBNMFHV-CYBMUJFWSA-N 1 0 268.385 3.929 10 0 CHAERO Cc1cc(C[NH3+])ccc1Oc1ccc2c(c1)CCC2 ZINC000037733369 173653413 /nfs/dbraw/zinc/65/34/13/173653413.db2.gz ZZPLPHFORSUCCB-UHFFFAOYSA-N 1 0 253.345 3.735 10 0 CHAERO c1csc(C([NH2+]C[C@H]2CCOC2)c2cccs2)c1 ZINC000037738905 173659087 /nfs/dbraw/zinc/65/90/87/173659087.db2.gz ZYTONIOZBCQOFE-LLVKDONJSA-N 1 0 279.430 3.525 10 0 CHAERO CCSc1ccccc1N[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037779392 173710440 /nfs/dbraw/zinc/71/04/40/173710440.db2.gz RLWYZFNCNVKXER-UONOGXRCSA-N 1 0 278.465 3.941 10 0 CHAERO CO[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000037934956 173875561 /nfs/dbraw/zinc/87/55/61/173875561.db2.gz IUAATIAOCCMIGX-CVEARBPZSA-N 1 0 261.409 3.511 10 0 CHAERO CC[NH2+][C@@H](C)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000037949371 173889251 /nfs/dbraw/zinc/88/92/51/173889251.db2.gz WZEFZJCSUIJNME-QWRGUYRKSA-N 1 0 259.315 3.882 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1cc(C)cc(C)c1 ZINC000037996301 173957271 /nfs/dbraw/zinc/95/72/71/173957271.db2.gz QWBVMRQIGHZBPK-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO CCC[NH2+][C@@H](C)CCc1cccc(Br)c1 ZINC000038001139 173963956 /nfs/dbraw/zinc/96/39/56/173963956.db2.gz XWANIBIATCUYHV-NSHDSACASA-N 1 0 270.214 3.770 10 0 CHAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)c1 ZINC000038028225 174016407 /nfs/dbraw/zinc/01/64/07/174016407.db2.gz HXJADEKKCUVIDZ-DLBZAZTESA-N 1 0 274.452 3.828 10 0 CHAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@H]1C[C@@H]1C ZINC000038058219 174068928 /nfs/dbraw/zinc/06/89/28/174068928.db2.gz ULBXSHATVVSVHL-YLQAJVPDSA-N 1 0 259.393 3.708 10 0 CHAERO CC[NH2+]Cc1ccc(-c2cccc(OC)c2)cc1F ZINC000038071489 174082223 /nfs/dbraw/zinc/08/22/23/174082223.db2.gz JHIPHOMIYNDCHT-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO CC[NH2+]Cc1cccc(-c2ccc(OC)cc2C)c1 ZINC000038072725 174083212 /nfs/dbraw/zinc/08/32/12/174083212.db2.gz COYUGDQDDBOVPZ-UHFFFAOYSA-N 1 0 255.361 3.780 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccc(OC)c(C)c2)cc1 ZINC000038073610 174084128 /nfs/dbraw/zinc/08/41/28/174084128.db2.gz HGDYHCDLKWPWKR-CYBMUJFWSA-N 1 0 255.361 3.951 10 0 CHAERO C[C@@H]([NH3+])c1cccc(-c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000038073535 174084158 /nfs/dbraw/zinc/08/41/58/174084158.db2.gz ULFCIOXFYJSVSM-NWDGAFQWSA-N 1 0 253.345 3.697 10 0 CHAERO C[C@H]([NH3+])c1ccccc1-c1ccc2c(c1)C[C@@H](C)O2 ZINC000038073530 174084187 /nfs/dbraw/zinc/08/41/87/174084187.db2.gz GHLQBKDLDMDLLJ-NEPJUHHUSA-N 1 0 253.345 3.697 10 0 CHAERO C[NH2+]Cc1cc(-c2ccccc2Cl)ccc1OC ZINC000038078212 174087930 /nfs/dbraw/zinc/08/79/30/174087930.db2.gz ZRGFGWANNDCJBT-UHFFFAOYSA-N 1 0 261.752 3.735 10 0 CHAERO C[C@H](C[NH2+][C@@H](Cc1cccs1)c1cccs1)N(C)C ZINC000038087460 174099384 /nfs/dbraw/zinc/09/93/84/174099384.db2.gz ZAKVZKSYHILRPZ-OCCSQVGLSA-N 1 0 294.489 3.633 10 0 CHAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000038095838 174109270 /nfs/dbraw/zinc/10/92/70/174109270.db2.gz DUTWNMRBEZGYDJ-JQWIXIFHSA-N 1 0 271.763 3.699 10 0 CHAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000038095839 174109625 /nfs/dbraw/zinc/10/96/25/174109625.db2.gz DUTWNMRBEZGYDJ-PWSUYJOCSA-N 1 0 271.763 3.699 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1cc(F)cc(F)c1 ZINC000038136147 174132810 /nfs/dbraw/zinc/13/28/10/174132810.db2.gz WXMWRTPZXDSXQE-INIZCTEOSA-N 1 0 261.315 3.776 10 0 CHAERO Cc1ccc2c(c1)[C@@H]([NH3+])CN2Cc1ccccc1Cl ZINC000039941613 174176553 /nfs/dbraw/zinc/17/65/53/174176553.db2.gz UEVCOPWOFSNJDA-HNNXBMFYSA-N 1 0 272.779 3.668 10 0 CHAERO CCc1nc2cc(C(F)(F)F)ccc2n1CCC[NH+](C)C ZINC000040403980 174253545 /nfs/dbraw/zinc/25/35/45/174253545.db2.gz ZRKMPOOAWXDTLR-UHFFFAOYSA-N 1 0 299.340 3.569 10 0 CHAERO CCC[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000040728316 174387752 /nfs/dbraw/zinc/38/77/52/174387752.db2.gz VZUYWZFZRGUKCH-UHFFFAOYSA-N 1 0 271.788 3.635 10 0 CHAERO [NH3+]C[C@H](Cc1cccs1)c1ccc(Br)cc1 ZINC000041486000 174560944 /nfs/dbraw/zinc/56/09/44/174560944.db2.gz YDSYJCOPDZWHKV-NSHDSACASA-N 1 0 296.233 3.796 10 0 CHAERO CC(C)[NH2+]CCCSc1ccccc1Br ZINC000042407655 174713276 /nfs/dbraw/zinc/71/32/76/174713276.db2.gz IZWKGBRYCGODRE-UHFFFAOYSA-N 1 0 288.254 3.929 10 0 CHAERO CCCC[N@H+]([C@@H](C)CC)[C@@H]1Cc2ccccc2[C@@H]1N ZINC000042607090 174819297 /nfs/dbraw/zinc/81/92/97/174819297.db2.gz MYUZKUQUTZTHSK-XKQJLSEDSA-N 1 0 260.425 3.512 10 0 CHAERO Cc1ccc([C@H](C[NH3+])O[C@H](C)c2ccccc2)cc1 ZINC000042907087 174908519 /nfs/dbraw/zinc/90/85/19/174908519.db2.gz MMKMOHPMYHQEPO-PBHICJAKSA-N 1 0 255.361 3.773 10 0 CHAERO C[C@@H]([NH3+])[C@@H](OC1CCCCC1)c1ccc(F)cc1 ZINC000042916028 174916411 /nfs/dbraw/zinc/91/64/11/174916411.db2.gz NFWJCMXPVVCGLE-IAQYHMDHSA-N 1 0 251.345 3.563 10 0 CHAERO CC(C)CCCO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042916843 174916896 /nfs/dbraw/zinc/91/68/96/174916896.db2.gz OWDMASDQNAUAGG-IUODEOHRSA-N 1 0 253.361 3.667 10 0 CHAERO CC[C@H]([NH3+])[C@H](OCCC(C)C)c1ccc(OC)cc1 ZINC000042962979 174927815 /nfs/dbraw/zinc/92/78/15/174927815.db2.gz KACYZTJUYXXLTR-JKSUJKDBSA-N 1 0 265.397 3.536 10 0 CHAERO CC(C)C[C@H](C)O[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973828 174937394 /nfs/dbraw/zinc/93/73/94/174937394.db2.gz XWFYPBKHGSMZHJ-YWPYICTPSA-N 1 0 253.361 3.665 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OCC(C)C)c1cccc(Cl)c1 ZINC000043017791 174943504 /nfs/dbraw/zinc/94/35/04/174943504.db2.gz XZUWRSNAGCAFLF-KBPBESRZSA-N 1 0 255.789 3.791 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1nccn1C)c1ccccc1Cl ZINC000043088948 174963843 /nfs/dbraw/zinc/96/38/43/174963843.db2.gz VTSRBZOBHLFCGM-CHWSQXEVSA-N 1 0 295.839 3.644 10 0 CHAERO Cc1nnc(S[C@H](c2ccccc2Cl)[C@@H](C)[NH3+])s1 ZINC000043089978 174964121 /nfs/dbraw/zinc/96/41/21/174964121.db2.gz ZVEVYDYNFIYBGG-HQJQHLMTSA-N 1 0 299.852 3.681 10 0 CHAERO COc1ccccc1[C@@H](C[NH3+])Sc1ccc(F)cc1 ZINC000043100961 174967643 /nfs/dbraw/zinc/96/76/43/174967643.db2.gz ONWMJJAPVRAJDW-OAHLLOKOSA-N 1 0 277.364 3.626 10 0 CHAERO COc1ccccc1[C@H](C[NH3+])Sc1ccc(C)cc1 ZINC000043100792 174967746 /nfs/dbraw/zinc/96/77/46/174967746.db2.gz NAMRPFWDGSJGSC-INIZCTEOSA-N 1 0 273.401 3.796 10 0 CHAERO C[NH2+][C@H]1CCCC[C@@H]1Cc1sccc1Br ZINC000043676322 175088193 /nfs/dbraw/zinc/08/81/93/175088193.db2.gz AQNPDYUMKCGQBQ-KOLCDFICSA-N 1 0 288.254 3.831 10 0 CHAERO CC[NH2+][C@H]1CCC[C@@H]1Cc1sccc1Br ZINC000043676304 175088202 /nfs/dbraw/zinc/08/82/02/175088202.db2.gz XYICJUCRCLUVKS-KOLCDFICSA-N 1 0 288.254 3.831 10 0 CHAERO Cc1cc(C)c([C@@H](O)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000044120622 175142556 /nfs/dbraw/zinc/14/25/56/175142556.db2.gz LRMCVFKCNXZPBO-KRWDZBQOSA-N 1 0 275.436 3.910 10 0 CHAERO CCC[NH+](CCC)C[C@@H](O)c1c(C)cc(C)cc1C ZINC000044120017 175142733 /nfs/dbraw/zinc/14/27/33/175142733.db2.gz JNXCBBQTSBSCME-MRXNPFEDSA-N 1 0 263.425 3.767 10 0 CHAERO CC(C)Oc1ccc([C@@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000044120882 175142810 /nfs/dbraw/zinc/14/28/10/175142810.db2.gz SGALNGRIYJVTCT-SFHVURJKSA-N 1 0 291.435 3.772 10 0 CHAERO O[C@@H]1CCCCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000044126148 175144177 /nfs/dbraw/zinc/14/41/77/175144177.db2.gz UFZNLCJSEVPVGE-RBUKOAKNSA-N 1 0 287.447 3.635 10 0 CHAERO CCOc1ccccc1[C@@H](O)C[NH+](CC(C)C)CC(C)C ZINC000044163002 175148227 /nfs/dbraw/zinc/14/82/27/175148227.db2.gz HRHDUQGVXNVSDL-KRWDZBQOSA-N 1 0 293.451 3.733 10 0 CHAERO [NH3+]Cc1c(F)cccc1OCc1ccc(Cl)cc1 ZINC000044248569 175156342 /nfs/dbraw/zinc/15/63/42/175156342.db2.gz IIKSMMFCPXYVAV-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO FC(F)(F)c1cc([C@@H]2CC[NH2+]2)cc(C(F)(F)F)c1 ZINC000044257443 175156791 /nfs/dbraw/zinc/15/67/91/175156791.db2.gz CJYXEHGGORAFSV-VIFPVBQESA-N 1 0 269.188 3.759 10 0 in-vitro CHAERO CCc1cccc(CC)c1NC(=O)C1(C[NH3+])CCCCC1 ZINC000044762076 175246282 /nfs/dbraw/zinc/24/62/82/175246282.db2.gz UAXRTLIXXYYJBE-UHFFFAOYSA-N 1 0 288.435 3.659 10 0 CHAERO C[C@@H](C(=O)c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)C ZINC000045084554 175303756 /nfs/dbraw/zinc/30/37/56/175303756.db2.gz ALTXMQVJSKJQQE-NSHDSACASA-N 1 0 267.800 3.889 10 0 CHAERO Cc1nc(-c2ccc(C)cc2)sc1C[NH2+]C1CC1 ZINC000045205722 175327764 /nfs/dbraw/zinc/32/77/64/175327764.db2.gz YZDPXKCHSPJONR-UHFFFAOYSA-N 1 0 258.390 3.679 10 0 CHAERO Cc1cnc([C@@H]([NH2+]Cc2ccccc2)C2CC2)s1 ZINC000045206234 175327896 /nfs/dbraw/zinc/32/78/96/175327896.db2.gz CCMGNLRXDKJOSG-AWEZNQCLSA-N 1 0 258.390 3.692 10 0 CHAERO C[C@H](C(=O)c1cccc(Cl)c1)[N@H+](C)C(C)(C)C ZINC000045302421 175355067 /nfs/dbraw/zinc/35/50/67/175355067.db2.gz BJLKZFUZNNATGZ-SNVBAGLBSA-N 1 0 253.773 3.642 10 0 in-vitro CHAERO CCC[C@@H]([NH3+])CCc1cc(Br)cs1 ZINC000049864597 175501755 /nfs/dbraw/zinc/50/17/55/175501755.db2.gz IHTDWMBNIOFXAE-SECBINFHSA-N 1 0 262.216 3.571 10 0 CHAERO c1ccc(C[C@]2(C[NH2+]C3CC3)C[C@H]3CC[C@@H]2C3)cc1 ZINC000054639114 175562724 /nfs/dbraw/zinc/56/27/24/175562724.db2.gz AKTLRJMZMPEHHU-LZLYRXPVSA-N 1 0 255.405 3.788 10 0 CHAERO CCc1ccc(C[N@@H+](Cc2ccncc2)[C@H](C)CC)nc1 ZINC000055119715 175571053 /nfs/dbraw/zinc/57/10/53/175571053.db2.gz XNKWAVGZJWFXFK-OAHLLOKOSA-N 1 0 283.419 3.840 10 0 CHAERO C[C@H]([NH3+])c1csc(-c2ccccc2Br)n1 ZINC000070840427 176008453 /nfs/dbraw/zinc/00/84/53/176008453.db2.gz OTEVNULWQMUQPB-ZETCQYMHSA-N 1 0 283.194 3.592 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1cc(F)ccc1F ZINC000071167885 176049392 /nfs/dbraw/zinc/04/93/92/176049392.db2.gz LDOGHDPCAJETDZ-MRVPVSSYSA-N 1 0 267.250 3.916 10 0 CHAERO C[C@H]1CCCC[C@@H]1[NH2+]CCOc1cc(F)ccc1F ZINC000071168954 176050093 /nfs/dbraw/zinc/05/00/93/176050093.db2.gz KNQBJYBOQVAZFN-FZMZJTMJSA-N 1 0 269.335 3.512 10 0 CHAERO COc1ccc(C2CC([NH2+][C@@H]3CCC[C@H]3C)C2)cc1 ZINC000071206344 176080033 /nfs/dbraw/zinc/08/00/33/176080033.db2.gz DVQKIYMCRFUJHZ-IGHZYHEGSA-N 1 0 259.393 3.719 10 0 CHAERO C[C@@H]1CCC[C@@H]1NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000071208729 176081259 /nfs/dbraw/zinc/08/12/59/176081259.db2.gz LNFXMHZRGLMFJT-KWCYVHTRSA-N 1 0 260.406 3.609 10 0 CHAERO CC(C)[N@H+](CCc1cccc(N)c1)Cc1ccccc1 ZINC000071426128 176161755 /nfs/dbraw/zinc/16/17/55/176161755.db2.gz DRKCNXRAVRVACP-UHFFFAOYSA-N 1 0 268.404 3.722 10 0 CHAERO C[NH2+]CCCCc1c(C)c(Cl)c(C)cc1OC ZINC000071577246 176205361 /nfs/dbraw/zinc/20/53/61/176205361.db2.gz NXCPSBWRIWZGJO-UHFFFAOYSA-N 1 0 255.789 3.508 10 0 CHAERO CCCc1ccc(-c2cnc(CC[NH2+]C)s2)cc1 ZINC000071586929 176213708 /nfs/dbraw/zinc/21/37/08/176213708.db2.gz YSXBTEZKIAAIIL-UHFFFAOYSA-N 1 0 260.406 3.525 10 0 CHAERO C[NH2+]Cc1ncc(-c2ccc(CC(C)C)cc2)s1 ZINC000071586927 176213714 /nfs/dbraw/zinc/21/37/14/176213714.db2.gz DUFHDGWKRTUZSN-UHFFFAOYSA-N 1 0 260.406 3.728 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2COc1ccccc1 ZINC000071652003 176241692 /nfs/dbraw/zinc/24/16/92/176241692.db2.gz AFFLDWFOFIRJIG-GOSISDBHSA-N 1 0 297.398 3.696 10 0 CHAERO COc1ccc([C@H]2[NH2+]CC(C)(C)c3cc(OC)ccc32)cc1 ZINC000071652001 176241812 /nfs/dbraw/zinc/24/18/12/176241812.db2.gz COTCOLAHSGCODS-GOSISDBHSA-N 1 0 297.398 3.674 10 0 CHAERO Clc1ccc([C@@]23CCC[C@@H]2C[NH2+]C3)cc1Cl ZINC000072112311 176317426 /nfs/dbraw/zinc/31/74/26/176317426.db2.gz ZOSQXAHBYHMVCA-MFKMUULPSA-N 1 0 256.176 3.635 10 0 CHAERO [NH3+][C@H]1CCCc2[nH]nc(-c3cccc4ccccc43)c21 ZINC000072415324 176399850 /nfs/dbraw/zinc/39/98/50/176399850.db2.gz GJSVGBGFCSLKBZ-AWEZNQCLSA-N 1 0 263.344 3.566 10 0 CHAERO CCOc1ccc(CCC[NH2+]CC(C)C)cc1OCC ZINC000076318926 176984977 /nfs/dbraw/zinc/98/49/77/176984977.db2.gz JNZCVDMAYFQOHT-UHFFFAOYSA-N 1 0 279.424 3.662 10 0 CHAERO COc1ccc(C(C)(C)C)cc1CCC(C)(C)C[NH3+] ZINC000076364199 177003313 /nfs/dbraw/zinc/00/33/13/177003313.db2.gz ZOXIFQVTWCZVHZ-UHFFFAOYSA-N 1 0 263.425 3.910 10 0 CHAERO [NH3+][C@H]1CCC[C@@H](c2cc(Br)ccc2F)C1 ZINC000076413283 177021001 /nfs/dbraw/zinc/02/10/01/177021001.db2.gz BWCSQNGOMJYASN-SCZZXKLOSA-N 1 0 272.161 3.573 10 0 CHAERO COc1ccc(CCC[NH2+]C2CC2)c(Cl)c1Cl ZINC000076420513 177023474 /nfs/dbraw/zinc/02/34/74/177023474.db2.gz MYFQKBOVZMUWAQ-UHFFFAOYSA-N 1 0 274.191 3.687 10 0 CHAERO Cc1cccc([C@@H](CC[NH3+])COc2ccccc2)c1 ZINC000076660561 177048575 /nfs/dbraw/zinc/04/85/75/177048575.db2.gz YFFPDGBMHVDKDA-INIZCTEOSA-N 1 0 255.361 3.506 10 0 CHAERO CC(C)C[C@H](C[NH3+])c1ccccc1Br ZINC000076661550 177049303 /nfs/dbraw/zinc/04/93/03/177049303.db2.gz GRTPDXYUTQDHGK-SNVBAGLBSA-N 1 0 256.187 3.538 10 0 CHAERO COc1ccc([C@@H](CC[NH3+])CC(C)C)c(Cl)c1 ZINC000076661518 177049191 /nfs/dbraw/zinc/04/91/91/177049191.db2.gz QZJHCTMMJPEPIS-NSHDSACASA-N 1 0 255.789 3.827 10 0 CHAERO Cc1ccc([C@@H](CC[NH3+])CCc2ccco2)cc1C ZINC000076664936 177050531 /nfs/dbraw/zinc/05/05/31/177050531.db2.gz KDJKSPZLBDSKJG-OAHLLOKOSA-N 1 0 257.377 3.962 10 0 CHAERO [NH3+]CC[C@H](CCc1ccco1)c1ccc(Cl)cc1 ZINC000076679257 177057300 /nfs/dbraw/zinc/05/73/00/177057300.db2.gz QJEQABQUKXSIFT-ZDUSSCGKSA-N 1 0 263.768 3.998 10 0 CHAERO CCSc1ccc([C@@H](CC[NH3+])c2ccccn2)cc1 ZINC000076715399 177068811 /nfs/dbraw/zinc/06/88/11/177068811.db2.gz MGSCLZKAGYRSFQ-OAHLLOKOSA-N 1 0 272.417 3.674 10 0 CHAERO [NH3+]CC[C@H](CCc1cccc(Cl)c1)c1ccccn1 ZINC000076722105 177069893 /nfs/dbraw/zinc/06/98/93/177069893.db2.gz DZXHUKRESYUPAZ-AWEZNQCLSA-N 1 0 274.795 3.800 10 0 CHAERO [NH3+]CC[C@H](CCc1ccc(Cl)cc1)c1ccccn1 ZINC000076722114 177069895 /nfs/dbraw/zinc/06/98/95/177069895.db2.gz ZATRYJOEFWPRFZ-AWEZNQCLSA-N 1 0 274.795 3.800 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccccc1Cl)c1ccncc1 ZINC000076722149 177069972 /nfs/dbraw/zinc/06/99/72/177069972.db2.gz DBKAJPCBJOOOPN-CYBMUJFWSA-N 1 0 274.795 3.800 10 0 CHAERO [NH3+]CC[C@@H](CCc1cccc(Cl)c1)c1ccccn1 ZINC000076722109 177070064 /nfs/dbraw/zinc/07/00/64/177070064.db2.gz DZXHUKRESYUPAZ-CQSZACIVSA-N 1 0 274.795 3.800 10 0 CHAERO CC[NH2+][C@@H](C)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000076784577 177091726 /nfs/dbraw/zinc/09/17/26/177091726.db2.gz VWBBDGXIIYCYIP-QMMMGPOBSA-N 1 0 268.332 3.759 10 0 CHAERO C[C@H]([NH3+])c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000076784719 177092514 /nfs/dbraw/zinc/09/25/14/177092514.db2.gz PKSCZLCSMAAICM-ZETCQYMHSA-N 1 0 272.295 3.849 10 0 CHAERO [NH3+]C[C@H](c1cccs1)c1cc(Br)cs1 ZINC000076805098 177100279 /nfs/dbraw/zinc/10/02/79/177100279.db2.gz GOWQSCIOKFYUNN-MRVPVSSYSA-N 1 0 288.235 3.663 10 0 CHAERO COCc1c2cccc(C)c2oc1C[NH2+]CC(C)C ZINC000077068439 177183522 /nfs/dbraw/zinc/18/35/22/177183522.db2.gz GPCJDAYEICGGFF-UHFFFAOYSA-N 1 0 261.365 3.633 10 0 CHAERO COCc1c2cccc(Cl)c2oc1C[NH2+]CC(C)C ZINC000077069199 177184556 /nfs/dbraw/zinc/18/45/56/177184556.db2.gz YXJQHEFMGNXXSR-UHFFFAOYSA-N 1 0 281.783 3.978 10 0 CHAERO CCC[NH2+]Cc1oc2ccc(Cl)cc2c1COC ZINC000077069931 177184923 /nfs/dbraw/zinc/18/49/23/177184923.db2.gz IJIZCIMQIWQPJZ-UHFFFAOYSA-N 1 0 267.756 3.732 10 0 CHAERO CCC[NH2+]Cc1oc2c(ccc(C)c2C)c1COC ZINC000077070385 177185773 /nfs/dbraw/zinc/18/57/73/177185773.db2.gz HFFOFNUDJSAVGP-UHFFFAOYSA-N 1 0 261.365 3.696 10 0 CHAERO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCS[C@H](C)C2)c1C ZINC000171699320 335074835 /nfs/dbraw/zinc/07/48/35/335074835.db2.gz GNFVCCGMJBWKBO-CYBMUJFWSA-N 1 0 291.460 3.752 10 0 CHAERO C[C@H]([NH3+])c1ccc(NC(=O)c2coc3ccccc23)cc1 ZINC000070391883 260157060 /nfs/dbraw/zinc/15/70/60/260157060.db2.gz PKRZPDVZRYKSHM-NSHDSACASA-N 1 0 280.327 3.705 10 0 CHAERO COCCC1(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000222328056 260211126 /nfs/dbraw/zinc/21/11/26/260211126.db2.gz MLILZSVDQDVCLH-ARFHVFGLSA-N 1 0 267.457 3.854 10 0 CHAERO CCCOc1ccc([C@@H](C)[NH2+]CCSCC)cc1 ZINC000310623622 260222219 /nfs/dbraw/zinc/22/22/19/260222219.db2.gz IGRHRIFAGXWNJW-CYBMUJFWSA-N 1 0 267.438 3.879 10 0 CHAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000222692358 260231086 /nfs/dbraw/zinc/23/10/86/260231086.db2.gz AZYVWVNDZNJLTQ-PBHICJAKSA-N 1 0 260.425 3.555 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccccc2OC)c1 ZINC000091009508 260264574 /nfs/dbraw/zinc/26/45/74/260264574.db2.gz OQSFOOLSMGAPFX-AWEZNQCLSA-N 1 0 272.392 3.758 10 0 CHAERO CCn1cccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000091022922 260265332 /nfs/dbraw/zinc/26/53/32/260265332.db2.gz MUXMKUWJISMNHI-QGZVFWFLSA-N 1 0 254.377 3.675 10 0 CHAERO C[C@@H]1CC[C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)O1 ZINC000128060422 260371781 /nfs/dbraw/zinc/37/17/81/260371781.db2.gz HQBFXWXJENUYFR-UNEWFSDZSA-N 1 0 271.360 3.526 10 0 CHAERO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000128476946 260374654 /nfs/dbraw/zinc/37/46/54/260374654.db2.gz XFINKCXLQONRPW-IRXDYDNUSA-N 1 0 283.346 3.926 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000085968547 260381829 /nfs/dbraw/zinc/38/18/29/260381829.db2.gz JRGYWYOIORPBOL-QMTHXVAHSA-N 1 0 288.218 3.634 10 0 CHAERO C[C@@H](C(=O)Nc1ccccc1Cl)[C@@H]([NH3+])c1ccccc1 ZINC000130066896 260392962 /nfs/dbraw/zinc/39/29/62/260392962.db2.gz KUAIJHQNGSLNCW-IAQYHMDHSA-N 1 0 288.778 3.615 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CCC2CCCC2)c1C ZINC000045171533 260650284 /nfs/dbraw/zinc/65/02/84/260650284.db2.gz JMKACAVPKMLQIY-LBPRGKRZSA-N 1 0 263.429 3.751 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)c1C ZINC000045629343 260652043 /nfs/dbraw/zinc/65/20/43/260652043.db2.gz LQJBIZBENVMNMJ-IUODEOHRSA-N 1 0 261.413 3.527 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)[C@@H]1CCCO1 ZINC000152945254 261071745 /nfs/dbraw/zinc/07/17/45/261071745.db2.gz UHOXZHSYBVHBBC-KHYOSLBOSA-N 1 0 296.414 3.967 10 0 CHAERO CC[C@H]([NH2+]Cc1ccc(Br)cn1)C(C)(C)C ZINC000394501395 261174276 /nfs/dbraw/zinc/17/42/76/261174276.db2.gz NOZFYSIEIUUEDS-LBPRGKRZSA-N 1 0 285.229 3.758 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2C)c1C ZINC000300305199 261191708 /nfs/dbraw/zinc/19/17/08/261191708.db2.gz CHVXKHCUQXVQSJ-XUJVJEKNSA-N 1 0 263.429 3.607 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000175172675 261210517 /nfs/dbraw/zinc/21/05/17/261210517.db2.gz LSLLXFLBXOVTTL-LJQANCHMSA-N 1 0 291.398 3.608 10 0 CHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000106208026 261322716 /nfs/dbraw/zinc/32/27/16/261322716.db2.gz BUSWPLZIUHNXHL-GOSISDBHSA-N 1 0 297.446 3.807 10 0 CHAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000106206010 261323004 /nfs/dbraw/zinc/32/30/04/261323004.db2.gz RJVARLSXXNEFQH-INIZCTEOSA-N 1 0 275.440 3.754 10 0 CHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)ccc3C)C2)c1 ZINC000106225151 261323431 /nfs/dbraw/zinc/32/34/31/261323431.db2.gz IZUIRIOADIQMTM-SFHVURJKSA-N 1 0 283.419 3.645 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccco1 ZINC000178065315 261375635 /nfs/dbraw/zinc/37/56/35/261375635.db2.gz WJOQXYVXNGWUIR-ZIAGYGMSSA-N 1 0 259.349 3.536 10 0 CHAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCSC1 ZINC000167068759 261397298 /nfs/dbraw/zinc/39/72/98/261397298.db2.gz KJTHBGSPUPZLFJ-YPMHNXCESA-N 1 0 298.249 3.532 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000221294117 261793613 /nfs/dbraw/zinc/79/36/13/261793613.db2.gz IPVZURROHSVRQK-KDOFPFPSSA-N 1 0 251.373 3.817 10 0 CHAERO COc1ccsc1[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000186082709 262078395 /nfs/dbraw/zinc/07/83/95/262078395.db2.gz KUNNBAZDYYKXMD-YPMHNXCESA-N 1 0 289.400 3.931 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)CN(C)Cc1ccccc1)c1cccs1 ZINC000390726954 262247031 /nfs/dbraw/zinc/24/70/31/262247031.db2.gz RUYLTUHWUWKTTN-LSDHHAIUSA-N 1 0 288.460 3.919 10 0 CHAERO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(C)c1 ZINC000311401706 262247990 /nfs/dbraw/zinc/24/79/90/262247990.db2.gz HLWGEAGOQTYPQL-IKGGRYGDSA-N 1 0 261.409 3.587 10 0 CHAERO CC(C)CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000020549343 262249340 /nfs/dbraw/zinc/24/93/40/262249340.db2.gz PZQUGNNDJZIKJZ-MAUKXSAKSA-N 1 0 291.435 3.769 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1C ZINC000020553011 262250452 /nfs/dbraw/zinc/25/04/52/262250452.db2.gz MXNAFQXYUBPLKA-ZOBUZTSGSA-N 1 0 261.409 3.830 10 0 CHAERO [NH3+]CCC[C@H](Nc1ccc(Cl)cn1)c1ccccc1 ZINC000312080414 262347631 /nfs/dbraw/zinc/34/76/31/262347631.db2.gz SRJPCZPNJUYWJW-AWEZNQCLSA-N 1 0 275.783 3.627 10 0 CHAERO C[C@H]1CC[C@@H]([NH2+]Cc2cncs2)c2ccccc21 ZINC000132251688 264386453 /nfs/dbraw/zinc/38/64/53/264386453.db2.gz OQLZCTFQFKKMQT-XHDPSFHLSA-N 1 0 258.390 3.871 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)o1 ZINC000168465092 266662436 /nfs/dbraw/zinc/66/24/36/266662436.db2.gz PUDPUHLCYHFKRF-ZDUSSCGKSA-N 1 0 290.432 3.969 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2C)cc1C ZINC000228659287 267112367 /nfs/dbraw/zinc/11/23/67/267112367.db2.gz YHNRTUBKFQTAKO-OAHLLOKOSA-N 1 0 254.377 3.858 10 0 CHAERO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116299069 267137221 /nfs/dbraw/zinc/13/72/21/267137221.db2.gz FKLNMASFUUFUOF-MRXNPFEDSA-N 1 0 287.359 3.504 10 0 CHAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CCSc1ccccc1 ZINC000117883784 267224338 /nfs/dbraw/zinc/22/43/38/267224338.db2.gz AHYYBXBLGXSPJQ-MRXNPFEDSA-N 1 0 287.432 3.729 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000300417918 267403355 /nfs/dbraw/zinc/40/33/55/267403355.db2.gz AQVNZLDMUMSCBL-DRZSPHRISA-N 1 0 250.386 3.848 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000280898568 328236891 /nfs/dbraw/zinc/23/68/91/328236891.db2.gz BKTDAANJQZNRRT-YVECIDJPSA-N 1 0 283.362 3.819 10 0 CHAERO c1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2CCOCC2)cc1 ZINC000111157424 328328266 /nfs/dbraw/zinc/32/82/66/328328266.db2.gz AIZWPHMERNIPGU-ZWKOTPCHSA-N 1 0 273.420 3.729 10 0 CHAERO CCCc1ccc(-c2csc(C[NH2+]CC)n2)cc1 ZINC000053294443 326867782 /nfs/dbraw/zinc/86/77/82/326867782.db2.gz GPNVXEKSIMLGJD-UHFFFAOYSA-N 1 0 260.406 3.872 10 0 CHAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036959789 326878266 /nfs/dbraw/zinc/87/82/66/326878266.db2.gz GZCRXJSIKXJXKA-ZIAGYGMSSA-N 1 0 290.451 3.549 10 0 CHAERO CCn1cncc1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000090170973 327145183 /nfs/dbraw/zinc/14/51/83/327145183.db2.gz XQFULBSIUNFGAB-CQSZACIVSA-N 1 0 271.408 3.877 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000091013195 327165337 /nfs/dbraw/zinc/16/53/37/327165337.db2.gz SAQONRLSIGDERD-GOSISDBHSA-N 1 0 268.404 3.545 10 0 CHAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000300412428 332814512 /nfs/dbraw/zinc/81/45/12/332814512.db2.gz SZGUIRSJHBPILZ-ZOBUZTSGSA-N 1 0 261.409 3.505 10 0 CHAERO C(=C/[C@H]1CCC[N@H+]1CCCn1ccnc1)\c1cccs1 ZINC000375179875 329001561 /nfs/dbraw/zinc/00/15/61/329001561.db2.gz YQXZBPDMABRMBR-LQYUOIDQSA-N 1 0 287.432 3.513 10 0 CHAERO CSCCC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000173796417 329152421 /nfs/dbraw/zinc/15/24/21/329152421.db2.gz UIMYGKAJMWSYDI-ZDUSSCGKSA-N 1 0 253.411 3.868 10 0 CHAERO CCOC[C@H](C)[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178727735 329200316 /nfs/dbraw/zinc/20/03/16/329200316.db2.gz OUFYWGODUSTBNQ-GOEBONIOSA-N 1 0 289.419 3.838 10 0 CHAERO C[N@H+](CCCc1cc(-c2ccccc2)no1)C1CCC1 ZINC000179565090 329209911 /nfs/dbraw/zinc/20/99/11/329209911.db2.gz VPSLNCFXGFZJGO-UHFFFAOYSA-N 1 0 270.376 3.759 10 0 CHAERO C/C(=C\c1ccccc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000179850078 329212804 /nfs/dbraw/zinc/21/28/04/329212804.db2.gz WRMFYJCEBOEGCL-FYWRMAATSA-N 1 0 281.403 3.693 10 0 CHAERO Cc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)ccc1Cl ZINC000180427484 329216595 /nfs/dbraw/zinc/21/65/95/329216595.db2.gz GYFXADXLBJIXFJ-UHFFFAOYSA-N 1 0 289.810 3.751 10 0 CHAERO Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000180160385 329218014 /nfs/dbraw/zinc/21/80/14/329218014.db2.gz WQSUCRLSDUHQEG-MRXNPFEDSA-N 1 0 273.355 3.584 10 0 CHAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000181282789 329229601 /nfs/dbraw/zinc/22/96/01/329229601.db2.gz HHWOKWJKLBHZRI-VCBZYWHSSA-N 1 0 297.446 3.614 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(Cl)s1 ZINC000223851138 329240798 /nfs/dbraw/zinc/24/07/98/329240798.db2.gz UZJBHOVRNOVANW-AXFHLTTASA-N 1 0 273.829 3.603 10 0 CHAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(F)F)cc1 ZINC000183973266 329251873 /nfs/dbraw/zinc/25/18/73/329251873.db2.gz ZXFHHUXSGHVZAG-JKSUJKDBSA-N 1 0 294.389 3.683 10 0 CHAERO ClC(Cl)(Cl)CCN1CCC[C@@H]1c1ccncc1 ZINC000184696456 329262075 /nfs/dbraw/zinc/26/20/75/329262075.db2.gz SRILZJXWANAJCA-LLVKDONJSA-N 1 0 293.625 3.979 10 0 CHAERO Cn1cc([C@H]2CCC[N@@H+]2CCCCc2ccccc2)cn1 ZINC000186947057 329350528 /nfs/dbraw/zinc/35/05/28/329350528.db2.gz NQVPEHXAHBXKAM-GOSISDBHSA-N 1 0 283.419 3.580 10 0 CHAERO OC[C@H]1C[N@H+](CCCC2CCCC2)C[C@@H]1c1ccsc1 ZINC000188097560 329364470 /nfs/dbraw/zinc/36/44/70/329364470.db2.gz UQNAKQHFTGDCJF-IAGOWNOFSA-N 1 0 293.476 3.726 10 0 CHAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000063191511 329373713 /nfs/dbraw/zinc/37/37/13/329373713.db2.gz JXDTZOWGTARQKP-YGRLFVJLSA-N 1 0 287.234 3.695 10 0 CHAERO Cc1csc([C@@H]2CCCN(c3cc[nH+]cc3C)C2)n1 ZINC000192550102 329434311 /nfs/dbraw/zinc/43/43/11/329434311.db2.gz VHWFQZBBEJNFCV-CYBMUJFWSA-N 1 0 273.405 3.539 10 0 CHAERO c1cnn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCc3occc32)c1 ZINC000192923825 329436309 /nfs/dbraw/zinc/43/63/09/329436309.db2.gz QLKIWJXMHLZGKR-OWCLPIDISA-N 1 0 285.391 3.627 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(C)c1 ZINC000130723392 329627636 /nfs/dbraw/zinc/62/76/36/329627636.db2.gz AFNHZXVHZTUQME-AVGNSLFASA-N 1 0 289.345 3.582 10 0 CHAERO COCC[C@H](C)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000246913381 329872688 /nfs/dbraw/zinc/87/26/88/329872688.db2.gz FYZHVZRRHQHSCV-AVGNSLFASA-N 1 0 292.448 3.803 10 0 CHAERO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2ccccc21 ZINC000248720234 329897779 /nfs/dbraw/zinc/89/77/79/329897779.db2.gz CFDCBVCSSSISPD-JCGIZDLHSA-N 1 0 285.431 3.956 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1OC ZINC000248750811 329898665 /nfs/dbraw/zinc/89/86/65/329898665.db2.gz FUNCSXQWQSDWHL-QILLFSRXSA-N 1 0 289.419 3.694 10 0 CHAERO CCC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccsc1 ZINC000249093393 329904546 /nfs/dbraw/zinc/90/45/46/329904546.db2.gz NWIXIRBYOCFXHM-GVDBMIGSSA-N 1 0 287.428 3.837 10 0 CHAERO Clc1ccc2nc(C[NH2+]CC3CCCCC3)cn2c1 ZINC000105855839 330329889 /nfs/dbraw/zinc/32/98/89/330329889.db2.gz NUNIJZQRGXFGRP-UHFFFAOYSA-N 1 0 277.799 3.658 10 0 CHAERO O=C(CCC[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000105938856 330330921 /nfs/dbraw/zinc/33/09/21/330330921.db2.gz ZLESRIRRGRDUNF-CQSZACIVSA-N 1 0 299.336 3.924 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000045094451 330338618 /nfs/dbraw/zinc/33/86/18/330338618.db2.gz FLXPZJAMKZECTG-HOTGVXAUSA-N 1 0 277.456 3.858 10 0 CHAERO [NH3+]CCc1c2cc(C(F)(F)F)ccc2[nH]c1C(F)(F)F ZINC000536958936 330383878 /nfs/dbraw/zinc/38/38/78/330383878.db2.gz IFSINHLCRDSPHF-UHFFFAOYSA-N 1 0 296.214 3.707 10 0 CHAERO Cc1ncc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)s1 ZINC000090400126 330392358 /nfs/dbraw/zinc/39/23/58/330392358.db2.gz NYAIZWSERKUCDE-GWCFXTLKSA-N 1 0 274.389 3.626 10 0 CHAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccs1 ZINC000090773345 330395765 /nfs/dbraw/zinc/39/57/65/330395765.db2.gz XRIMITVMCUFYRG-UONOGXRCSA-N 1 0 266.454 3.519 10 0 CHAERO COc1ccc(CC[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459782812 331300756 /nfs/dbraw/zinc/30/07/56/331300756.db2.gz YEPNXGXRJYZHRJ-UHFFFAOYSA-N 1 0 259.393 3.550 10 0 CHAERO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000466409350 331395152 /nfs/dbraw/zinc/39/51/52/331395152.db2.gz LCKQPGBBEKDBNA-IBEHDNSVSA-N 1 0 253.430 3.606 10 0 CHAERO CCc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000466411658 331395710 /nfs/dbraw/zinc/39/57/10/331395710.db2.gz DSJOYHRQEASRPS-ZIAGYGMSSA-N 1 0 261.409 3.542 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C[C@H](C)O1 ZINC000466425421 331396585 /nfs/dbraw/zinc/39/65/85/331396585.db2.gz MXZBEYOMBRUXEQ-IBEHDNSVSA-N 1 0 267.457 3.994 10 0 CHAERO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)[C@@H]1CCCCO1 ZINC000466471177 331397925 /nfs/dbraw/zinc/39/79/25/331397925.db2.gz RIKBLRLTQPZVKH-RYSNWHEDSA-N 1 0 293.373 3.902 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C[C@@H](C)O1 ZINC000467443124 331419620 /nfs/dbraw/zinc/41/96/20/331419620.db2.gz IVBLPEPLVYEJED-BQGCOEIASA-N 1 0 265.441 3.748 10 0 CHAERO Cc1cc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)on1 ZINC000249797651 334340562 /nfs/dbraw/zinc/34/05/62/334340562.db2.gz AXCJMAQWSHRMHP-BYCMXARLSA-N 1 0 250.386 3.533 10 0 CHAERO COc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C)c2ccccc2)cc1 ZINC000249880918 334341735 /nfs/dbraw/zinc/34/17/35/334341735.db2.gz NJRUKFLQLJEMRZ-FSPWUOQZSA-N 1 0 267.372 3.783 10 0 CHAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)CCS2 ZINC000249876790 334341753 /nfs/dbraw/zinc/34/17/53/334341753.db2.gz HAIXMMKOUORHEU-NUEKZKHPSA-N 1 0 291.460 3.997 10 0 CHAERO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)[nH]n1 ZINC000249119773 334328369 /nfs/dbraw/zinc/32/83/69/334328369.db2.gz PFFIXPLYFSHPOU-JCGIZDLHSA-N 1 0 297.446 3.650 10 0 CHAERO CC1=C[C@H](C)C[C@H](C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000572651624 334868900 /nfs/dbraw/zinc/86/89/00/334868900.db2.gz JJSZJQOBTJBFQG-XZDPQHSOSA-N 1 0 265.441 3.772 10 0 CHAERO COc1cccc([C@@H](C)[NH2+][C@H](C)COCc2ccccc2)c1 ZINC000177385559 333058346 /nfs/dbraw/zinc/05/83/46/333058346.db2.gz LUPITMAPMSLBKH-HZPDHXFCSA-N 1 0 299.414 3.951 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178681395 333076723 /nfs/dbraw/zinc/07/67/23/333076723.db2.gz UXEOVSKMWJJHRN-WBVHZDCISA-N 1 0 299.462 3.862 10 0 CHAERO CC[C@]1(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000214435162 333116727 /nfs/dbraw/zinc/11/67/27/333116727.db2.gz OQEIIMFIOYGFNZ-RDTXWAMCSA-N 1 0 288.435 3.519 10 0 CHAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000219030899 333140421 /nfs/dbraw/zinc/14/04/21/333140421.db2.gz BQUVCLLOOQAMHY-BXUZGUMPSA-N 1 0 288.218 3.634 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C12CCOCC2 ZINC000185668249 333146242 /nfs/dbraw/zinc/14/62/42/333146242.db2.gz IKXJAKZZZQMZCH-OWCLPIDISA-N 1 0 295.467 3.519 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCCC(C)C)C12CCOCC2 ZINC000186195692 333156409 /nfs/dbraw/zinc/15/64/09/333156409.db2.gz HCNNIQOCEVIVQH-GVDBMIGSSA-N 1 0 297.483 3.765 10 0 CHAERO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000186420343 333160362 /nfs/dbraw/zinc/16/03/62/333160362.db2.gz QXDMBHZGESRCIA-GDBMZVCRSA-N 1 0 273.424 3.582 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222434177 333193533 /nfs/dbraw/zinc/19/35/33/333193533.db2.gz VEFLYWQVGQVIEI-MGPQQGTHSA-N 1 0 294.405 3.673 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C(C)C)CCS2 ZINC000191488526 333220332 /nfs/dbraw/zinc/22/03/32/333220332.db2.gz RTJKZNNZHVCXOI-SMDDNHRTSA-N 1 0 265.422 3.866 10 0 CHAERO CCn1cccc1C[NH2+]CCc1ccc(Cl)s1 ZINC000226356185 333258011 /nfs/dbraw/zinc/25/80/11/333258011.db2.gz VHSHPAXBUWVQNP-UHFFFAOYSA-N 1 0 268.813 3.555 10 0 CHAERO CCCC[C@H](CC)CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000226814440 333270362 /nfs/dbraw/zinc/27/03/62/333270362.db2.gz NMQAPUWDZLOTNK-HLLBOEOZSA-N 1 0 290.451 3.655 10 0 CHAERO c1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227873336 333289600 /nfs/dbraw/zinc/28/96/00/333289600.db2.gz AKWFMKJVWAIDBQ-FMKPAKJESA-N 1 0 257.377 3.679 10 0 CHAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc(Cl)cc1F)CC2 ZINC000228816397 333297305 /nfs/dbraw/zinc/29/73/05/333297305.db2.gz WQJUWBWUKRXMEN-XJKSGUPXSA-N 1 0 297.801 3.606 10 0 CHAERO CCOc1ccccc1[C@H](C)[NH2+]Cc1ccncc1C ZINC000229661121 333307415 /nfs/dbraw/zinc/30/74/15/333307415.db2.gz OIVZTHOVZDZEQN-AWEZNQCLSA-N 1 0 270.376 3.640 10 0 CHAERO COC1CC([NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)C1 ZINC000230674833 333320505 /nfs/dbraw/zinc/32/05/05/333320505.db2.gz QDBTZXBOUISWIJ-KTAKPFMOSA-N 1 0 277.408 3.549 10 0 CHAERO COCCC(C)(C)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230864021 333321956 /nfs/dbraw/zinc/32/19/56/333321956.db2.gz NTVKEMSFBOGBRB-KGLIPLIRSA-N 1 0 255.446 3.854 10 0 CHAERO Oc1cccc2c1CC[C@H]2[NH2+]CCCC1CCCC1 ZINC000231359649 333324807 /nfs/dbraw/zinc/32/48/07/333324807.db2.gz WVFQSADPBVOTTL-MRXNPFEDSA-N 1 0 259.393 3.940 10 0 CHAERO CCCn1ccc(C[NH2+]CCc2ccc(Cl)s2)c1 ZINC000233448859 333352670 /nfs/dbraw/zinc/35/26/70/333352670.db2.gz CNXCRXMWNRVAEK-UHFFFAOYSA-N 1 0 282.840 3.945 10 0 CHAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000235310374 333367716 /nfs/dbraw/zinc/36/77/16/333367716.db2.gz JOYKYHVZAFQMIW-BPLDGKMQSA-N 1 0 259.393 3.925 10 0 CHAERO Cn1cccc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000131760068 333965794 /nfs/dbraw/zinc/96/57/94/333965794.db2.gz OHTFRIHCFHMWCO-QGZVFWFLSA-N 1 0 268.404 3.828 10 0 CHAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000134240178 334085280 /nfs/dbraw/zinc/08/52/80/334085280.db2.gz JFYFXQQFONZUTP-WBMJQRKESA-N 1 0 273.401 3.682 10 0 CHAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000135296373 334124233 /nfs/dbraw/zinc/12/42/33/334124233.db2.gz JCLCOYLSBFRMOL-VBQJREDUSA-N 1 0 261.409 3.713 10 0 CHAERO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424333 334129364 /nfs/dbraw/zinc/12/93/64/334129364.db2.gz VTXFSNGSRWRDCW-CIDNJEQPSA-N 1 0 266.473 3.508 10 0 CHAERO CCC[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000135666202 334135625 /nfs/dbraw/zinc/13/56/25/334135625.db2.gz XYTVDKKUHTURPV-ULQDDVLXSA-N 1 0 261.409 3.811 10 0 CHAERO CC(C)c1ccc([C@H](C)NC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000136141673 334148043 /nfs/dbraw/zinc/14/80/43/334148043.db2.gz CBSLYEHTGGNMHY-KSSFIOAISA-N 1 0 288.435 3.519 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC000137070481 334168934 /nfs/dbraw/zinc/16/89/34/334168934.db2.gz IHOONWDGQYPSBB-MRVPVSSYSA-N 1 0 288.616 3.991 10 0 CHAERO CCC(CC)[C@H](C[NH2+][C@H]1CC[C@@H](CC)C1)N(C)C ZINC000080429101 334171390 /nfs/dbraw/zinc/17/13/90/334171390.db2.gz XUMNSQROPSIZLE-KBMXLJTQSA-N 1 0 254.462 3.521 10 0 CHAERO Cn1cc([C@@H]2CCC[N@@H+]2[C@H]2CCCc3ccc(F)cc32)cn1 ZINC000245514187 334199242 /nfs/dbraw/zinc/19/92/42/334199242.db2.gz PGTBBXFQSZZWJE-ROUUACIJSA-N 1 0 299.393 3.774 10 0 CHAERO Cn1cc([C@H]2CCC[N@@H+]2[C@H]2CCCc3ccc(F)cc32)cn1 ZINC000245514186 334199285 /nfs/dbraw/zinc/19/92/85/334199285.db2.gz PGTBBXFQSZZWJE-MSOLQXFVSA-N 1 0 299.393 3.774 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCCc2ccccc21 ZINC000247147734 334276394 /nfs/dbraw/zinc/27/63/94/334276394.db2.gz UCSOVEJYWLKGAN-HKUYNNGSSA-N 1 0 295.430 3.734 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1C ZINC000246816812 334269803 /nfs/dbraw/zinc/26/98/03/334269803.db2.gz BARWWQOQUPONPU-USXIJHARSA-N 1 0 261.409 3.505 10 0 CHAERO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC000246892776 334271387 /nfs/dbraw/zinc/27/13/87/334271387.db2.gz DUUKSUPWKPTKJD-OHUAYANFSA-N 1 0 289.810 3.893 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@H]3CCCc4ccccc43)C2)c1 ZINC000247592631 334286602 /nfs/dbraw/zinc/28/66/02/334286602.db2.gz JVFIFNNMFGURMR-MJGOQNOKSA-N 1 0 295.430 3.906 10 0 CHAERO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000247936551 334291841 /nfs/dbraw/zinc/29/18/41/334291841.db2.gz COCFUQQEUJTAND-XQLPTFJDSA-N 1 0 255.446 3.588 10 0 CHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000249612939 334338161 /nfs/dbraw/zinc/33/81/61/334338161.db2.gz HEAVZBNUVITJCC-GHMZBOCLSA-N 1 0 272.845 3.536 10 0 CHAERO CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)CC)C2)n1 ZINC000248376102 334299428 /nfs/dbraw/zinc/29/94/28/334299428.db2.gz ZIDKAEJQXYTBHG-VXGBXAGGSA-N 1 0 252.427 3.683 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)[C@H]1CCCO1 ZINC000248535075 334305270 /nfs/dbraw/zinc/30/52/70/334305270.db2.gz XBRYSVNTCYOJGG-MISXGVKJSA-N 1 0 298.224 3.667 10 0 CHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248690443 334313530 /nfs/dbraw/zinc/31/35/30/334313530.db2.gz IYHLKBDCMSNSBD-ZYHUDNBSSA-N 1 0 272.845 3.536 10 0 CHAERO COC[C@H]([NH2+][C@@H]1CCCCc2ccccc21)C(C)C ZINC000086695349 334314776 /nfs/dbraw/zinc/31/47/76/334314776.db2.gz DYDYVCZTTFCZBR-SJORKVTESA-N 1 0 261.409 3.715 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CC)C12CCOCC2 ZINC000248905235 334321539 /nfs/dbraw/zinc/32/15/39/334321539.db2.gz BAJJPLIIBVYUEY-WCXIOVBPSA-N 1 0 295.467 3.519 10 0 CHAERO CC(C)[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccccc1Cl ZINC000248962587 334323343 /nfs/dbraw/zinc/32/33/43/334323343.db2.gz BJGAESGDMACVMC-IOASZLSFSA-N 1 0 281.827 3.788 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000249319214 334331868 /nfs/dbraw/zinc/33/18/68/334331868.db2.gz KTDHDPRSFKNGIY-QCZZGDTMSA-N 1 0 288.218 3.948 10 0 CHAERO C[C@H](c1ccc2ccccc2c1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000251653282 334366121 /nfs/dbraw/zinc/36/61/21/334366121.db2.gz KCBBOTNGTFPNGT-RBSFLKMASA-N 1 0 268.404 3.583 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CC(=O)N(C)c3ccccc32)C[C@H]1C ZINC000251751752 334368877 /nfs/dbraw/zinc/36/88/77/334368877.db2.gz JUCQQDGOHRARGQ-NYTXWWLZSA-N 1 0 286.419 3.509 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cc2c(s1)CCCC2 ZINC000252476418 334381063 /nfs/dbraw/zinc/38/10/63/334381063.db2.gz IIJBTSSYKCZKNK-NWANDNLSSA-N 1 0 293.476 3.829 10 0 CHAERO O=C(C[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000092064470 334393741 /nfs/dbraw/zinc/39/37/41/334393741.db2.gz OFAUXARDTKBLJB-MRXNPFEDSA-N 1 0 275.367 3.806 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000165032893 334891711 /nfs/dbraw/zinc/89/17/11/334891711.db2.gz PCCPKDCXAGWMTI-PSASIEDQSA-N 1 0 274.227 3.789 10 0 CHAERO CC/C=C\CC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000346587992 335369343 /nfs/dbraw/zinc/36/93/43/335369343.db2.gz WPMSSLWFRVPAON-FOSCPCJNSA-N 1 0 269.392 3.879 10 0 CHAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000581523786 336094642 /nfs/dbraw/zinc/09/46/42/336094642.db2.gz LQKXFMBNWUKDIC-BZUAXINKSA-N 1 0 261.434 3.938 10 0 CHAERO C[C@H](CCCO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000384803564 336131492 /nfs/dbraw/zinc/13/14/92/336131492.db2.gz YZEZOQRWJRMIMR-ILXRZTDVSA-N 1 0 255.446 3.590 10 0 CHAERO CC(C)C[C@@H](C)N(C)c1ccc(Cl)cc1C[NH3+] ZINC000052857446 519772583 /nfs/dbraw/zinc/77/25/83/519772583.db2.gz WOIVFIYRCNAXOC-LLVKDONJSA-N 1 0 254.805 3.670 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000049195593 519793860 /nfs/dbraw/zinc/79/38/60/519793860.db2.gz VYIGZKOPCWLEHD-IUODEOHRSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)[C@H](C[NH2+]C(C)(C)C)O[C@@H]1CCC[C@@H](C)C1 ZINC000052631561 519815910 /nfs/dbraw/zinc/81/59/10/519815910.db2.gz SGOQMRVPVZBFHO-KFWWJZLASA-N 1 0 255.446 3.994 10 0 CHAERO CC[NH2+]CC1(O[C@@H]2CCCC[C@H]2CC)CCCC1 ZINC000050491771 519913518 /nfs/dbraw/zinc/91/35/18/519913518.db2.gz KFGRBISPBRXMCL-HUUCEWRRSA-N 1 0 253.430 3.894 10 0 CHAERO CC[NH2+]CCC[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000052650464 519920232 /nfs/dbraw/zinc/92/02/32/519920232.db2.gz IDFUDIFINUEHEG-LLVKDONJSA-N 1 0 275.314 3.862 10 0 CHAERO CCC[NH2+]C[C@H](c1ccccc1)N(C)[C@@H](C)C(C)C ZINC000052478672 519933962 /nfs/dbraw/zinc/93/39/62/519933962.db2.gz ROVOMZONPOZQMV-DOTOQJQBSA-N 1 0 262.441 3.704 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1CCC ZINC000054995261 519975614 /nfs/dbraw/zinc/97/56/14/519975614.db2.gz KHYIJNBOQAIACU-CYBMUJFWSA-N 1 0 295.496 3.974 10 0 CHAERO CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(F)cc1F ZINC000050885273 520023498 /nfs/dbraw/zinc/02/34/98/520023498.db2.gz GZZBKPZYRLXYGC-SWLSCSKDSA-N 1 0 253.336 3.676 10 0 CHAERO CC[NH2+][C@H]1CCCCC[C@@H]1Oc1cccc(F)c1F ZINC000062613296 520213436 /nfs/dbraw/zinc/21/34/36/520213436.db2.gz ROHQSOGAJSVTCB-STQMWFEESA-N 1 0 269.335 3.654 10 0 CHAERO CCCCN(CCCC)c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054894874 520499549 /nfs/dbraw/zinc/49/95/49/520499549.db2.gz MGKCFCNJMZVREF-LBPRGKRZSA-N 1 0 281.469 3.886 10 0 CHAERO CCCC[C@H](CC)Cn1nc(C)c([C@H](C)[NH3+])c1C ZINC000054716548 521181101 /nfs/dbraw/zinc/18/11/01/521181101.db2.gz IUDISRXREYDKSA-FZMZJTMJSA-N 1 0 251.418 3.736 10 0 CHAERO CCCc1nc(N(C)C(CC)CC)sc1C[NH2+]CC ZINC000054997658 521529211 /nfs/dbraw/zinc/52/92/11/521529211.db2.gz LACXAPPUHIIXEX-UHFFFAOYSA-N 1 0 283.485 3.830 10 0 CHAERO CCCN(CC(F)(F)F)[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052503965 521586174 /nfs/dbraw/zinc/58/61/74/521586174.db2.gz PBBUQZPQGIECHM-LBPRGKRZSA-N 1 0 282.394 3.673 10 0 CHAERO CCCN(c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2)C(C)C ZINC000054895209 521697632 /nfs/dbraw/zinc/69/76/32/521697632.db2.gz JBRNGAZJRCZKKE-LLVKDONJSA-N 1 0 281.469 3.740 10 0 CHAERO CC[C@H](C[NH2+]C1CC1)O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629184 522192445 /nfs/dbraw/zinc/19/24/45/522192445.db2.gz OXUHLOSABCMAFD-NWANDNLSSA-N 1 0 253.430 3.748 10 0 CHAERO C([NH2+]C1CC1)C1(OC2CCCC2)CCCCCC1 ZINC000050487597 518398665 /nfs/dbraw/zinc/39/86/65/518398665.db2.gz ZEJQBQRGBXDIHO-UHFFFAOYSA-N 1 0 251.414 3.791 10 0 CHAERO CC(C)(C)[NH2+]C[C@@H]1C[C@@]1(C)c1c(F)cccc1F ZINC000054597084 518761508 /nfs/dbraw/zinc/76/15/08/518761508.db2.gz JPHQEJSFMPZMJY-ZUZCIYMTSA-N 1 0 253.336 3.631 10 0 CHAERO CC(C)C[C@@H]1CN(Cc2c(F)cccc2Cl)CCC[NH2+]1 ZINC000062712354 519270799 /nfs/dbraw/zinc/27/07/99/519270799.db2.gz WEGVNWCXNHVLRL-CYBMUJFWSA-N 1 0 298.833 3.689 10 0 CHAERO CC(C)C[C@H]1C[NH2+]CCN1Cc1ccc(C(C)(C)C)cc1 ZINC000062705199 519415434 /nfs/dbraw/zinc/41/54/34/519415434.db2.gz IIFHKTBIUUBMEA-SFHVURJKSA-N 1 0 288.479 3.804 10 0 CHAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000054594465 519724307 /nfs/dbraw/zinc/72/43/07/519724307.db2.gz VFWUJVDFWDHOKX-JQWIXIFHSA-N 1 0 257.299 3.807 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2ccc(C(C)C)cc2)C1 ZINC000053010771 519725100 /nfs/dbraw/zinc/72/51/00/519725100.db2.gz BHWMKNOTUCBAQJ-OAHLLOKOSA-N 1 0 260.425 3.634 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1CCN(c2ccc(C(C)C)cc2)C1 ZINC000053010759 519744869 /nfs/dbraw/zinc/74/48/69/519744869.db2.gz AJNBLHYWYRWEGB-INIZCTEOSA-N 1 0 274.452 3.882 10 0 CHAERO CC(C)[C@@H](C)[NH2+]CCSc1ccc(F)cc1F ZINC000053621051 519792318 /nfs/dbraw/zinc/79/23/18/519792318.db2.gz ZSUISGPWMGPYIT-SNVBAGLBSA-N 1 0 259.365 3.691 10 0 CHAERO CC(C)[C@@H](CCOCC(F)(F)F)C[NH2+]C(C)(C)C ZINC000052972687 519793128 /nfs/dbraw/zinc/79/31/28/519793128.db2.gz TVJCYABWFGZACN-NSHDSACASA-N 1 0 269.351 3.616 10 0 CHAERO CC(C)[C@H]1CN(C2CCCCC2)c2ccccc2C[NH2+]1 ZINC000062666594 519826673 /nfs/dbraw/zinc/82/66/73/519826673.db2.gz NKQUGLPMMPQACT-QGZVFWFLSA-N 1 0 272.436 3.954 10 0 CHAERO CC(C)c1csc([C@@]2([NH2+]C3CC3)CCCSC2)n1 ZINC000061590782 519857127 /nfs/dbraw/zinc/85/71/27/519857127.db2.gz QOKZNDLLLRXEJO-CQSZACIVSA-N 1 0 282.478 3.741 10 0 CHAERO CC[NH2+]CCCCCOc1ccc(C(F)(F)F)cc1 ZINC000052599957 519919223 /nfs/dbraw/zinc/91/92/23/519919223.db2.gz ALYCUFOSVCHKKB-UHFFFAOYSA-N 1 0 275.314 3.864 10 0 CHAERO CCC[NH2+]C[C@@H](CC)O[C@@H]1CCCc2ccccc21 ZINC000052627863 519921021 /nfs/dbraw/zinc/92/10/21/519921021.db2.gz GXEYCTYIXWEFAQ-NVXWUHKLSA-N 1 0 261.409 3.859 10 0 CHAERO CCC[NH2+]C[C@@H](CCCOC)Cc1ccccc1Cl ZINC000052979624 519921346 /nfs/dbraw/zinc/92/13/46/519921346.db2.gz QXSDTDYRPNWYMA-AWEZNQCLSA-N 1 0 283.843 3.925 10 0 CHAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc2cc(OC)ccc2c1 ZINC000054590306 519981416 /nfs/dbraw/zinc/98/14/16/519981416.db2.gz LLOFFISWJOKNJV-WBVHZDCISA-N 1 0 255.361 3.561 10 0 CHAERO CC[NH2+]Cc1c(C)nc(-c2ccccc2Cl)nc1C ZINC000054854102 519982996 /nfs/dbraw/zinc/98/29/96/519982996.db2.gz VEBDEFWSQWUWRJ-UHFFFAOYSA-N 1 0 275.783 3.523 10 0 CHAERO CC[NH2+]C[C@]1(OC2CCCCC2)CCC[C@@H](C)C1 ZINC000050504104 519983405 /nfs/dbraw/zinc/98/34/05/519983405.db2.gz YCEXJDSHBYXYCS-ZBFHGGJFSA-N 1 0 253.430 3.894 10 0 CHAERO CCC[NH2+][C@@H](C[C@H]1CCCO1)c1cc(F)ccc1C ZINC000060705125 520013562 /nfs/dbraw/zinc/01/35/62/520013562.db2.gz ZMERGDODEUYFLX-ZBFHGGJFSA-N 1 0 265.372 3.744 10 0 CHAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@@H]1C[C@@H]1C ZINC000052945126 520013902 /nfs/dbraw/zinc/01/39/02/520013902.db2.gz QDVVVBSHHBJJJG-GLQYFDAESA-N 1 0 251.801 3.907 10 0 CHAERO CCC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(F)cc1C ZINC000055223671 520014132 /nfs/dbraw/zinc/01/41/32/520014132.db2.gz MLKZATFKEJIJQZ-ZBFHGGJFSA-N 1 0 265.372 3.744 10 0 CHAERO CCC[NH2+][C@@H]1CCC[C@H]1CCCOCC(F)(F)F ZINC000049312854 520022263 /nfs/dbraw/zinc/02/22/63/520022263.db2.gz IUDBXQSBRUKPPT-NWDGAFQWSA-N 1 0 267.335 3.514 10 0 CHAERO CCC[NH2+][C@H](C)c1nc2ccc(F)cc2n1C1CC1 ZINC000062366585 520067267 /nfs/dbraw/zinc/06/72/67/520067267.db2.gz QOQOYZVVDARKLA-SNVBAGLBSA-N 1 0 261.344 3.571 10 0 CHAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1Oc1cc(F)cc(F)c1 ZINC000054932700 520122352 /nfs/dbraw/zinc/12/23/52/520122352.db2.gz BCKWVGIMFXKCHP-KMUNFCNLSA-N 1 0 269.335 3.510 10 0 CHAERO CC[NH2+][C@H](C)Cc1ccc(-c2ccc(F)c(C)c2)o1 ZINC000062771098 520174392 /nfs/dbraw/zinc/17/43/92/520174392.db2.gz HMKCHHBQJQDDRL-GFCCVEGCSA-N 1 0 261.340 3.935 10 0 CHAERO CC[NH2+][C@H](Cc1cccnc1)c1cccc(C)c1C ZINC000053330376 520204324 /nfs/dbraw/zinc/20/43/24/520204324.db2.gz MJTNQGBEPPFUHS-QGZVFWFLSA-N 1 0 254.377 3.592 10 0 CHAERO CC[NH2+][C@H]1CCN(c2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000049712438 520217907 /nfs/dbraw/zinc/21/79/07/520217907.db2.gz DOUWHJLZCWJEBY-MNOVXSKESA-N 1 0 287.234 3.960 10 0 CHAERO CCCCCO[C@@H](C[NH2+]CC)c1ccc(F)cc1 ZINC000050500930 520246201 /nfs/dbraw/zinc/24/62/01/520246201.db2.gz ZMSRXRMHVXEEDC-HNNXBMFYSA-N 1 0 253.361 3.683 10 0 CHAERO CCCCC[C@H](C)[NH2+]CCN(CC1CC1)C(C)C ZINC000053445029 520309032 /nfs/dbraw/zinc/30/90/32/520309032.db2.gz AUHKYIPERBSNLP-HNNXBMFYSA-N 1 0 254.462 3.665 10 0 CHAERO CCCOc1ccc(-c2ncc(C[NH2+]CC)s2)cc1 ZINC000052919536 520318415 /nfs/dbraw/zinc/31/84/15/520318415.db2.gz RFMLHWGVSDOTIY-UHFFFAOYSA-N 1 0 276.405 3.708 10 0 CHAERO CCCOc1ccc([C@@]2(C)C[C@H]2C[NH2+]C(C)C)cc1 ZINC000054595299 520424527 /nfs/dbraw/zinc/42/45/27/520424527.db2.gz YSRPJSSWHJQISS-DOTOQJQBSA-N 1 0 261.409 3.751 10 0 CHAERO CCCOc1ccc([C@H]2CC[NH2+][C@H]2CC(C)C)cc1 ZINC000054929194 520434542 /nfs/dbraw/zinc/43/45/42/520434542.db2.gz LPJXPTHHSAAQGK-SJORKVTESA-N 1 0 261.409 3.967 10 0 CHAERO CC1(C)CN(C2CCCCC2)c2ccccc2C[NH2+]1 ZINC000062626797 520461959 /nfs/dbraw/zinc/46/19/59/520461959.db2.gz XXVBKRXIGDTBLX-UHFFFAOYSA-N 1 0 258.409 3.708 10 0 CHAERO CCCC[N@H+](C[C@](C)(O)c1ccccc1)[C@@H](C)CC ZINC000052097359 520541783 /nfs/dbraw/zinc/54/17/83/520541783.db2.gz FWNHRINBGNWUPR-RDJZCZTQSA-N 1 0 263.425 3.795 10 0 CHAERO CCCC[N@H+]([C@H](C)CC)[C@@H](CN)c1ccc(C)cc1 ZINC000050280111 520552528 /nfs/dbraw/zinc/55/25/28/520552528.db2.gz OPYAAHURCIPBCR-WBVHZDCISA-N 1 0 262.441 3.895 10 0 CHAERO CCC[C@@H](C)[NH2+]CCOc1ccc(F)cc1Cl ZINC000053586319 520666654 /nfs/dbraw/zinc/66/66/54/520666654.db2.gz ORYOGOOXTGNQSP-SNVBAGLBSA-N 1 0 259.752 3.636 10 0 CHAERO CCC[C@@H]([NH2+]CC)[C@H](CC)N1Cc2ccccc2C1 ZINC000050911071 520771123 /nfs/dbraw/zinc/77/11/23/520771123.db2.gz FGOWAZPUXVFHLW-SJORKVTESA-N 1 0 260.425 3.559 10 0 CHAERO CCCCOc1cc(OC)ccc1C[NH2+]C(C)(C)C ZINC000062733093 520848574 /nfs/dbraw/zinc/84/85/74/520848574.db2.gz SKKIBXSLKCSDQR-UHFFFAOYSA-N 1 0 265.397 3.762 10 0 CHAERO CCC[C@@](C)(C[NH2+]C(C)C)CN(C)Cc1ccco1 ZINC000051216473 520909224 /nfs/dbraw/zinc/90/92/24/520909224.db2.gz LDHJUNWLXMWNOL-INIZCTEOSA-N 1 0 266.429 3.516 10 0 CHAERO CCC[C@@](C)([NH3+])CN1CCC2(CCCCC2)CC1 ZINC000061822569 520921951 /nfs/dbraw/zinc/92/19/51/520921951.db2.gz ZLRKFJRQWAYKFV-OAHLLOKOSA-N 1 0 252.446 3.550 10 0 CHAERO CCN(CCCCC[NH2+]C(C)C)c1ccccc1C ZINC000052417812 521001726 /nfs/dbraw/zinc/00/17/26/521001726.db2.gz ATJCOFJMDBFRQF-UHFFFAOYSA-N 1 0 262.441 3.990 10 0 CHAERO CCN(CCC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000050954280 521040771 /nfs/dbraw/zinc/04/07/71/521040771.db2.gz JCUZHGPTGWAXJY-HNNXBMFYSA-N 1 0 264.388 3.574 10 0 CHAERO CCC[C@H]([NH2+]Cc1c(C)n[nH]c1C)c1cccs1 ZINC000049541540 521161900 /nfs/dbraw/zinc/16/19/00/521161900.db2.gz RNBJHMAYEFPBSB-ZDUSSCGKSA-N 1 0 263.410 3.719 10 0 CHAERO CCC(CC)([NH2+]Cc1nccn1C)c1ccc(Cl)cc1 ZINC000103480408 521477185 /nfs/dbraw/zinc/47/71/85/521477185.db2.gz PYKMNYYMUPWSOD-UHFFFAOYSA-N 1 0 291.826 3.879 10 0 CHAERO CCN(c1nc(C)c([C@@H](C)[NH3+])s1)c1ccc(F)cc1 ZINC000054896923 521504228 /nfs/dbraw/zinc/50/42/28/521504228.db2.gz NZBVOLFFHQCEMF-SECBINFHSA-N 1 0 279.384 3.768 10 0 CHAERO CCCc1nc(N(CCC)C(C)C)sc1C[NH2+]CC ZINC000054996796 521530583 /nfs/dbraw/zinc/53/05/83/521530583.db2.gz CAEWBMGMGYACOI-UHFFFAOYSA-N 1 0 283.485 3.830 10 0 CHAERO CCC[N@H+](CC1CC1)C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054559156 521624604 /nfs/dbraw/zinc/62/46/04/521624604.db2.gz GCPFANLUQRUKGI-HZPDHXFCSA-N 1 0 265.441 3.750 10 0 CHAERO CCOC1(C[NH2+]C(C)(C)C)CCC(C(C)C)CC1 ZINC000050482269 521637051 /nfs/dbraw/zinc/63/70/51/521637051.db2.gz KQJOKQPTWDAAEM-UHFFFAOYSA-N 1 0 255.446 3.996 10 0 CHAERO CCC[N@H+](Cc1nc2sccc2c(Cl)n1)C(C)C ZINC000050839919 521695251 /nfs/dbraw/zinc/69/52/51/521695251.db2.gz IQRFGWRPXJTGJS-UHFFFAOYSA-N 1 0 283.828 3.965 10 0 CHAERO COCC[C@@H](C[NH2+]C(C)C)Cc1ccccc1Cl ZINC000052979671 521804094 /nfs/dbraw/zinc/80/40/94/521804094.db2.gz NIEWXPPZJVUVNL-CYBMUJFWSA-N 1 0 269.816 3.533 10 0 CHAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CCCCCCC1 ZINC000054601695 521954567 /nfs/dbraw/zinc/95/45/67/521954567.db2.gz PQIRZDGWERGNGT-ZXFUBFMLSA-N 1 0 264.457 3.704 10 0 CHAERO CC[C@@H](C)CNC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000054489032 521995316 /nfs/dbraw/zinc/99/53/16/521995316.db2.gz JCEDAEVXIUCRKW-LKSINWNRSA-N 1 0 254.443 3.674 10 0 CHAERO C[NH2+]CCc1nc(-c2ccccc2)c(C(C)C)s1 ZINC000053296338 522021290 /nfs/dbraw/zinc/02/12/90/522021290.db2.gz VDLAIEWNJIOABA-UHFFFAOYSA-N 1 0 260.406 3.695 10 0 CHAERO C[NH2+]C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000052971332 522033874 /nfs/dbraw/zinc/03/38/74/522033874.db2.gz YJMCTAFMAYWIKF-GFCCVEGCSA-N 1 0 259.315 3.740 10 0 CHAERO C[NH2+]C[C@@H](OC1CCCC1)c1cccc(Br)c1 ZINC000050487618 522036581 /nfs/dbraw/zinc/03/65/81/522036581.db2.gz LDFCEJBBEKRTFM-CQSZACIVSA-N 1 0 298.224 3.669 10 0 CHAERO C[NH2+]C[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000053586548 522077910 /nfs/dbraw/zinc/07/79/10/522077910.db2.gz FEFPZQVRCGDWEU-HNNXBMFYSA-N 1 0 279.742 3.819 10 0 CHAERO C[NH2+]C[C@]1(OC2CCCCCC2)CCC[C@@H](C)C1 ZINC000050504794 522099072 /nfs/dbraw/zinc/09/90/72/522099072.db2.gz QXZUPPHKFPURLT-ZBFHGGJFSA-N 1 0 253.430 3.894 10 0 CHAERO C[NH2+]Cc1cccc(COc2cc(C)ccc2C)c1 ZINC000052665519 522126769 /nfs/dbraw/zinc/12/67/69/522126769.db2.gz QKYITAYKGZXGEN-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO C[NH2+]Cc1sc(-c2ccc(Br)cc2)nc1C ZINC000052330135 522165176 /nfs/dbraw/zinc/16/51/76/522165176.db2.gz OITBBJZJJDIZJP-UHFFFAOYSA-N 1 0 297.221 3.600 10 0 CHAERO CC[C@H](C[NH2+]CC(C)C)Oc1cccc(Cl)c1 ZINC000052674312 522194600 /nfs/dbraw/zinc/19/46/00/522194600.db2.gz UPSWDTFTVCWJSX-CYBMUJFWSA-N 1 0 255.789 3.743 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(OCCc2cccs2)cc1 ZINC000049585786 522334558 /nfs/dbraw/zinc/33/45/58/522334558.db2.gz BZWXRJWEAOKMCY-LBPRGKRZSA-N 1 0 261.390 3.650 10 0 CHAERO C[NH2+][C@@H](C)c1sc(N2CCCCCCC2)nc1C ZINC000054901907 522343959 /nfs/dbraw/zinc/34/39/59/522343959.db2.gz WQZDQRLGQKYPPN-NSHDSACASA-N 1 0 267.442 3.502 10 0 CHAERO C[NH2+][C@@H](C[C@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223492 522359169 /nfs/dbraw/zinc/35/91/69/522359169.db2.gz RKABYINZNUTEAQ-SKDRFNHKSA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@@H](Cc1cccs1)c1cccc2cnccc21 ZINC000061124497 522363251 /nfs/dbraw/zinc/36/32/51/522363251.db2.gz FYEBMMVJFDAYEH-INIZCTEOSA-N 1 0 268.385 3.800 10 0 CHAERO C[NH2+][C@@H]1CCC[C@@H]1CCOc1ccc(Br)cc1 ZINC000049597067 522388626 /nfs/dbraw/zinc/38/86/26/522388626.db2.gz KUYFKGIVRMSFKN-BXUZGUMPSA-N 1 0 298.224 3.606 10 0 CHAERO C[NH2+][C@H](C)Cc1ccc(-c2ccc(Cl)c(F)c2)o1 ZINC000062770938 522442581 /nfs/dbraw/zinc/44/25/81/522442581.db2.gz SCKFKNMQOBCORK-SECBINFHSA-N 1 0 267.731 3.890 10 0 CHAERO C[NH2+][C@H](CCc1ccccc1)c1nc(C)c(C)s1 ZINC000061625698 522465788 /nfs/dbraw/zinc/46/57/88/522465788.db2.gz XKGSRENYKIZTNV-CQSZACIVSA-N 1 0 260.406 3.653 10 0 CHAERO C[NH2+][C@H](Cc1cccc(F)c1F)C1CCC(C)CC1 ZINC000060703161 522473060 /nfs/dbraw/zinc/47/30/60/522473060.db2.gz RDWJBNSRURBCQB-KOHJWAIASA-N 1 0 267.363 3.922 10 0 CHAERO COC[C@H](C)C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000155449764 522581258 /nfs/dbraw/zinc/58/12/58/522581258.db2.gz KHMWGEQSAZIRME-ZBFHGGJFSA-N 1 0 289.419 3.695 10 0 CHAERO CC[C@@H]([NH2+][C@@H]1COc2ccccc21)c1ccccc1 ZINC000070196880 522930518 /nfs/dbraw/zinc/93/05/18/522930518.db2.gz GTBUWGYYGWQYAX-HZPDHXFCSA-N 1 0 253.345 3.861 10 0 CHAERO CC[C@@H](c1cccs1)[N@@H+]1Cc2cccc(N)c2C1 ZINC000049531890 523108235 /nfs/dbraw/zinc/10/82/35/523108235.db2.gz YBCLHNGZXQEMPN-AWEZNQCLSA-N 1 0 258.390 3.797 10 0 CHAERO CC[C@](C)(O)C[NH+]1CCC(c2cccc3cnccc32)CC1 ZINC000365103557 523495180 /nfs/dbraw/zinc/49/51/80/523495180.db2.gz ZUIHUHGPKAEOHP-IBGZPJMESA-N 1 0 298.430 3.575 10 0 CHAERO CCn1cc[nH+]c1N[C@@H](C)c1cccc(Br)c1 ZINC000050614086 523549646 /nfs/dbraw/zinc/54/96/46/523549646.db2.gz RHGKIRVGSCYCLH-JTQLQIEISA-N 1 0 294.196 3.839 10 0 CHAERO CCn1cc[nH+]c1N[C@H](C)c1cccc(Br)c1 ZINC000050614087 523549783 /nfs/dbraw/zinc/54/97/83/523549783.db2.gz RHGKIRVGSCYCLH-SNVBAGLBSA-N 1 0 294.196 3.839 10 0 CHAERO CN(c1ccccc1F)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794282 523656479 /nfs/dbraw/zinc/65/64/79/523656479.db2.gz OODPHWGVENAKAP-UHFFFAOYSA-N 1 0 277.730 3.531 10 0 CHAERO CCc1ccc([C@@H]2CC[NH2+][C@@H]2Cc2ccccc2)o1 ZINC000054686903 524039050 /nfs/dbraw/zinc/03/90/50/524039050.db2.gz AYRPIPJOGFGQQV-HZPDHXFCSA-N 1 0 255.361 3.530 10 0 CHAERO C[C@H](CC1CC1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000164327178 524097368 /nfs/dbraw/zinc/09/73/68/524097368.db2.gz WVQQCINKQAFSKZ-VZDIAYEVSA-N 1 0 298.430 3.597 10 0 CHAERO COc1ccc(C[C@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000049597130 524158225 /nfs/dbraw/zinc/15/82/25/524158225.db2.gz WMFOXBIGYWESTH-DGCLKSJQSA-N 1 0 298.224 3.518 10 0 CHAERO C[C@@H]1CCCC[C@H]1N(C)CC[NH2+]CCC(C)(C)C ZINC000053439222 524162296 /nfs/dbraw/zinc/16/22/96/524162296.db2.gz ZQJVIBGFKIGCGD-HUUCEWRRSA-N 1 0 254.462 3.523 10 0 CHAERO C[C@@H]1CCC[N@@H+](C2(CN)CCCCCCC2)[C@@H]1C ZINC000050563944 524217384 /nfs/dbraw/zinc/21/73/84/524217384.db2.gz QPJVUZLYGCCZSY-HUUCEWRRSA-N 1 0 252.446 3.549 10 0 CHAERO C[C@H]1CCC[C@]([NH3+])(c2ccccc2OC(F)(F)F)C1 ZINC000055193467 524224465 /nfs/dbraw/zinc/22/44/65/524224465.db2.gz VWWVHQWYKLEKBF-GXFFZTMASA-N 1 0 273.298 3.949 10 0 CHAERO COc1ccc(Cl)cc1[C@H]1CCCC[C@H]1C[NH3+] ZINC000062625204 524256947 /nfs/dbraw/zinc/25/69/47/524256947.db2.gz MJAGKKLSNXCPBT-JQWIXIFHSA-N 1 0 253.773 3.581 10 0 CHAERO Cc1ccc(CC[C@@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000052945983 524347939 /nfs/dbraw/zinc/34/79/39/524347939.db2.gz NHWZLJCCFZXNEJ-QGZVFWFLSA-N 1 0 257.352 3.637 10 0 CHAERO Cc1cccc(CN2CC(C)(C)[NH2+]Cc3ccccc32)c1 ZINC000062671263 524386761 /nfs/dbraw/zinc/38/67/61/524386761.db2.gz PYGXDMPOTZDMBA-UHFFFAOYSA-N 1 0 280.415 3.883 10 0 CHAERO Cc1cc(C)cc(C[C@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000055239220 524399974 /nfs/dbraw/zinc/39/99/74/524399974.db2.gz GBKSTIIORSPWBC-INIZCTEOSA-N 1 0 261.315 3.824 10 0 CHAERO C[C@@H]1CCC[C@H](Sc2nc3c(cc2C[NH3+])CCC3)C1 ZINC000054692441 524413794 /nfs/dbraw/zinc/41/37/94/524413794.db2.gz IXBZUWNFFSKTSX-RISCZKNCSA-N 1 0 276.449 3.700 10 0 CHAERO Cc1cccc(CS[C@@H](c2ccncc2)[C@H](C)[NH3+])c1 ZINC000054965673 524460437 /nfs/dbraw/zinc/46/04/37/524460437.db2.gz QUNYSDBETYROIL-XJKSGUPXSA-N 1 0 272.417 3.712 10 0 CHAERO C[C@@H](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000085638195 524501653 /nfs/dbraw/zinc/50/16/53/524501653.db2.gz CLWJJNOBQCQHBJ-HJWJTTGWSA-N 1 0 273.420 3.583 10 0 CHAERO Cc1ccc(C[C@@H]([NH3+])C(C)(C)c2ccccc2)cc1 ZINC000062773131 524666772 /nfs/dbraw/zinc/66/67/72/524666772.db2.gz GYTUTONNXIVNMG-QGZVFWFLSA-N 1 0 253.389 3.843 10 0 CHAERO C[C@@H](C[NH2+]C1CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000052966531 524735681 /nfs/dbraw/zinc/73/56/81/524735681.db2.gz KMOQXELPOAJUNX-SNVBAGLBSA-N 1 0 273.298 3.516 10 0 CHAERO Cc1ccc(F)c([C@@H]([NH3+])c2c(F)cc(F)cc2F)c1 ZINC000052981853 524835121 /nfs/dbraw/zinc/83/51/21/524835121.db2.gz DAYKAQPQHFQIRP-CQSZACIVSA-N 1 0 269.241 3.600 10 0 CHAERO Cc1ccc(F)c([C@]2([NH3+])CCCc3ccccc32)c1 ZINC000055194047 524835760 /nfs/dbraw/zinc/83/57/60/524835760.db2.gz XEYPYULBRSPDIY-KRWDZBQOSA-N 1 0 255.336 3.673 10 0 CHAERO C[C@H]([NH3+])c1nc(-c2sccc2Br)cs1 ZINC000306864185 524871690 /nfs/dbraw/zinc/87/16/90/524871690.db2.gz KVZKWFBJWCEWJZ-YFKPBYRVSA-N 1 0 289.223 3.654 10 0 CHAERO Cc1ccc(N(C)c2cc(Cl)ccc2C(N)=[NH2+])cc1 ZINC000062788969 524889281 /nfs/dbraw/zinc/88/92/81/524889281.db2.gz YMKPPDCFBVNSKH-UHFFFAOYSA-N 1 0 273.767 3.700 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]C2CCC3(CC3)CC2)C[C@H](C)O1 ZINC000341487423 525241457 /nfs/dbraw/zinc/24/14/57/525241457.db2.gz PEPOJYKAZFWPEQ-BTTYYORXSA-N 1 0 251.414 3.502 10 0 CHAERO Cc1ccc(OCCC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000052765251 525413471 /nfs/dbraw/zinc/41/34/71/525413471.db2.gz NGOYTHWGFVUMLO-GFCCVEGCSA-N 1 0 298.224 3.669 10 0 CHAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccsc1 ZINC000281767342 525428038 /nfs/dbraw/zinc/42/80/38/525428038.db2.gz WQOGGHLXZIMFQF-IJLUTSLNSA-N 1 0 253.411 3.602 10 0 CHAERO C[C@@H]1Cc2cc(C[NH2+]C3CCCCCC3)ccc2O1 ZINC000052878334 525520709 /nfs/dbraw/zinc/52/07/09/525520709.db2.gz NRZGNCAYXSYFET-CYBMUJFWSA-N 1 0 259.393 3.822 10 0 CHAERO Cc1cc([C@H]([NH3+])C2(c3ccccc3)CC2)ccc1F ZINC000062781103 525537001 /nfs/dbraw/zinc/53/70/01/525537001.db2.gz MRFVBJJHELRVLY-INIZCTEOSA-N 1 0 255.336 3.866 10 0 CHAERO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cccs1 ZINC000037235474 525554715 /nfs/dbraw/zinc/55/47/15/525554715.db2.gz NZGVVTBUEXYIGF-LLVKDONJSA-N 1 0 263.410 3.550 10 0 CHAERO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1occc1C ZINC000293389724 525608898 /nfs/dbraw/zinc/60/88/98/525608898.db2.gz IVNOLNOKKBSCPW-CYBMUJFWSA-N 1 0 275.323 3.513 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(O)c1 ZINC000037074377 525688007 /nfs/dbraw/zinc/68/80/07/525688007.db2.gz KHPNZMFDOHISIG-WBMJQRKESA-N 1 0 269.344 3.567 10 0 CHAERO Cc1ccnc(Sc2ccc([C@@H](C)[NH3+])cc2Cl)n1 ZINC000061700421 525710168 /nfs/dbraw/zinc/71/01/68/525710168.db2.gz DUOCRTVEBAZSKC-SECBINFHSA-N 1 0 279.796 3.609 10 0 CHAERO C[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000055237016 525752106 /nfs/dbraw/zinc/75/21/06/525752106.db2.gz NGTNWMNFWHUTJL-CQSZACIVSA-N 1 0 267.706 3.840 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]CC2=Cc3ccccc3OC2)o1 ZINC000102419978 525916688 /nfs/dbraw/zinc/91/66/88/525916688.db2.gz ZMVUPVLDZSBRPD-ZDUSSCGKSA-N 1 0 269.344 3.715 10 0 CHAERO Cc1ccc([C@H]2CC[NH2+][C@@H]2Cc2ccccc2)cc1 ZINC000054686586 526018020 /nfs/dbraw/zinc/01/80/20/526018020.db2.gz GJXBVHMYDBOODU-QZTJIDSGSA-N 1 0 251.373 3.683 10 0 CHAERO COc1cccc(C[C@@H](C[NH2+]CC(C)C)C(C)C)c1 ZINC000052972724 526072708 /nfs/dbraw/zinc/07/27/08/526072708.db2.gz ZMGAHQFHQBDMKW-INIZCTEOSA-N 1 0 263.425 3.756 10 0 CHAERO Cc1ccc2[nH]c(SCCC[NH2+]CC(C)C)nc2c1 ZINC000061441255 526254977 /nfs/dbraw/zinc/25/49/77/526254977.db2.gz NUCIGLZVVXGOMS-UHFFFAOYSA-N 1 0 277.437 3.599 10 0 CHAERO Cc1ccc(C)c(-c2csc(C3([NH3+])CCC3)n2)c1 ZINC000061713548 526256245 /nfs/dbraw/zinc/25/62/45/526256245.db2.gz HOSVJDRPGYRCDC-UHFFFAOYSA-N 1 0 258.390 3.765 10 0 CHAERO Cc1nn(CC2CCCC2)c(C)c1C[NH2+]C(C)(C)C ZINC000054717525 526274670 /nfs/dbraw/zinc/27/46/70/526274670.db2.gz WYAXCLMKLREELX-UHFFFAOYSA-N 1 0 263.429 3.578 10 0 CHAERO Cc1nn([C@@H](c2ccccc2Cl)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586080 526302671 /nfs/dbraw/zinc/30/26/71/526302671.db2.gz JKYRUNIPAVIJDD-RMLUDKJBSA-N 1 0 298.217 3.743 10 0 CHAERO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157019539 526410907 /nfs/dbraw/zinc/41/09/07/526410907.db2.gz COYIZKKIUWYZSO-CYBMUJFWSA-N 1 0 276.380 3.662 10 0 CHAERO Cc1oc(COc2c(C)ccc(C)c2C)cc1C[NH3+] ZINC000052696942 526775162 /nfs/dbraw/zinc/77/51/62/526775162.db2.gz ZUDPJHNPXYUOSA-UHFFFAOYSA-N 1 0 259.349 3.551 10 0 CHAERO NC(=[NH2+])c1ccc(Cl)cc1Sc1ccccc1 ZINC000062789204 526823243 /nfs/dbraw/zinc/82/32/43/526823243.db2.gz CBSANVGKXDRASZ-UHFFFAOYSA-N 1 0 262.765 3.775 10 0 CHAERO Cc1nc(Cc2ccc(Cl)cc2)sc1C[NH2+]C1CC1 ZINC000052330840 526927626 /nfs/dbraw/zinc/92/76/26/526927626.db2.gz UPYLRRROYJBRIE-UHFFFAOYSA-N 1 0 292.835 3.948 10 0 CHAERO Cc1nc(N(C)[C@H](C)C(C)C)sc1C[NH2+]CC(C)C ZINC000054997801 526952116 /nfs/dbraw/zinc/95/21/16/526952116.db2.gz CCAOEDNGBDDPLR-CYBMUJFWSA-N 1 0 283.485 3.678 10 0 CHAERO Clc1cccc(N2CC[C@H](C[NH2+]C3CC3)C2)c1Cl ZINC000053013027 526980600 /nfs/dbraw/zinc/98/06/00/526980600.db2.gz NOURCJRMSHJEQE-SNVBAGLBSA-N 1 0 285.218 3.572 10 0 CHAERO NC[C@H](c1csc2ccccc12)[NH+]1CCCCCC1 ZINC000054463877 527230740 /nfs/dbraw/zinc/23/07/40/527230740.db2.gz JIRIXFAYRLYMBT-OAHLLOKOSA-N 1 0 274.433 3.777 10 0 CHAERO [NH3+]Cc1cc(Cl)ccc1Oc1cccc(F)c1F ZINC000062611030 527248753 /nfs/dbraw/zinc/24/87/53/527248753.db2.gz HMGAIKHBHCOGLL-UHFFFAOYSA-N 1 0 269.678 3.869 10 0 CHAERO [NH3+][C@@H](Cc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000053790453 527336196 /nfs/dbraw/zinc/33/61/96/527336196.db2.gz DUVWTDFFAJPIDC-NSHDSACASA-N 1 0 287.306 3.889 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1OC(F)F)c1ccccc1 ZINC000054681266 527337461 /nfs/dbraw/zinc/33/74/61/527337461.db2.gz CFQCMRBWSUAKMJ-ZDUSSCGKSA-N 1 0 263.287 3.531 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1O ZINC000054685248 527337622 /nfs/dbraw/zinc/33/76/22/527337622.db2.gz QKVUXVSYSXTFKF-ZDUSSCGKSA-N 1 0 296.197 3.812 10 0 CHAERO [NH3+][C@@H](c1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000062774590 527338627 /nfs/dbraw/zinc/33/86/27/527338627.db2.gz RVEFEJNBSMUUNT-ZDUSSCGKSA-N 1 0 269.241 3.893 10 0 CHAERO [NH3+][C@@]1(c2cc(F)cc(F)c2)CCCc2ccccc21 ZINC000055194016 527378655 /nfs/dbraw/zinc/37/86/55/527378655.db2.gz DNXQLTFUPOXXMZ-MRXNPFEDSA-N 1 0 259.299 3.503 10 0 CHAERO [NH3+][C@H](Cc1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000062607967 527388566 /nfs/dbraw/zinc/38/85/66/527388566.db2.gz VUOZQGFENDYLID-CQSZACIVSA-N 1 0 285.696 4.000 10 0 CHAERO [NH3+][C@H](Cc1ccc(Cl)cc1)C1(c2ccccc2)CC1 ZINC000061618165 527388594 /nfs/dbraw/zinc/38/85/94/527388594.db2.gz CQSFQKZJPDYITR-MRXNPFEDSA-N 1 0 271.791 3.942 10 0 CHAERO [NH3+][C@H](Cc1ccccc1OC(F)F)c1ccccc1 ZINC000054681263 527389771 /nfs/dbraw/zinc/38/97/71/527389771.db2.gz CFQCMRBWSUAKMJ-CYBMUJFWSA-N 1 0 263.287 3.531 10 0 CHAERO OCCC[C@@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000111235202 527544128 /nfs/dbraw/zinc/54/41/28/527544128.db2.gz BVNBVZATZOQBOP-AWEZNQCLSA-N 1 0 275.417 3.638 10 0 CHAERO CCC1CCC([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000330268142 527859252 /nfs/dbraw/zinc/85/92/52/527859252.db2.gz QZEOQRMDSIFVEF-BCLQGDPASA-N 1 0 290.455 3.985 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cccc(Cl)c1Cl ZINC000083536504 536169743 /nfs/dbraw/zinc/16/97/43/536169743.db2.gz VHXMJCYADPORDS-ZJUUUORDSA-N 1 0 273.207 3.570 10 0 CHAERO COc1cccc(C[N@H+](C[C@H](O)c2ccccc2)C(C)C)c1 ZINC000036031115 566994567 /nfs/dbraw/zinc/99/45/67/566994567.db2.gz SBUFYKHKBYYGGU-IBGZPJMESA-N 1 0 299.414 3.639 10 0 CHAERO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](C)O)cc1 ZINC000036101988 566994774 /nfs/dbraw/zinc/99/47/74/566994774.db2.gz MFMDMCXGPNTPGW-HNNXBMFYSA-N 1 0 287.378 3.517 10 0 CHAERO CCC[C@H](O)C[N@@H+](Cc1ccsc1)Cc1ccco1 ZINC000036099307 566995091 /nfs/dbraw/zinc/99/50/91/566995091.db2.gz GQEJMZJKWXHACD-AWEZNQCLSA-N 1 0 279.405 3.504 10 0 CHAERO CCC[C@]1([NH+]2CCC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952703 567209313 /nfs/dbraw/zinc/20/93/13/567209313.db2.gz PENYDDKCSJMMNE-KRWDZBQOSA-N 1 0 296.455 3.652 10 0 CHAERO C=C(OCC)c1ccc(C[NH2+]C2CC2)c(Cl)c1 ZINC000725267687 567219979 /nfs/dbraw/zinc/21/99/79/567219979.db2.gz XPSLZSKFUXKWJL-UHFFFAOYSA-N 1 0 251.757 3.599 10 0 CHAERO C[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000037702446 567880344 /nfs/dbraw/zinc/88/03/44/567880344.db2.gz CFYVJDUNIKNHIJ-UHFFFAOYSA-N 1 0 279.742 3.778 10 0 CHAERO CC[C@@H](C)C[C@@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591241 567901197 /nfs/dbraw/zinc/90/11/97/567901197.db2.gz XFMDWAFTFJDMOM-HIFRSBDPSA-N 1 0 298.471 3.563 10 0 CHAERO C[NH2+][C@@H](CCCc1ccccc1)CN(C)Cc1ccccc1 ZINC000725255371 567915037 /nfs/dbraw/zinc/91/50/37/567915037.db2.gz ADQCVZFBXPRTHW-FQEVSTJZSA-N 1 0 296.458 3.729 10 0 CHAERO CCc1ccc(C[N@@H+](Cc2ccncc2)[C@@H](C)CC)nc1 ZINC000055119713 570240863 /nfs/dbraw/zinc/24/08/63/570240863.db2.gz XNKWAVGZJWFXFK-HNNXBMFYSA-N 1 0 283.419 3.840 10 0 CHAERO CCC(CC)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273488 570264013 /nfs/dbraw/zinc/26/40/13/570264013.db2.gz GVGFHLBRHSRHSX-UHFFFAOYSA-N 1 0 253.430 3.893 10 0 CHAERO CCC1(C)CC[NH+](CCOc2cncc(Cl)c2)CC1 ZINC000675075657 570368158 /nfs/dbraw/zinc/36/81/58/570368158.db2.gz CWDFQWXNTHISIH-UHFFFAOYSA-N 1 0 282.815 3.626 10 0 CHAERO CC[NH+](CC)[C@]1(C(C)C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961594 570406881 /nfs/dbraw/zinc/40/68/81/570406881.db2.gz UCAHWKTVMGQJRJ-QGZVFWFLSA-N 1 0 298.471 3.754 10 0 CHAERO [NH3+]C[C@H](SC1CCCCC1)C(F)(F)C(F)(F)F ZINC000616569103 570408724 /nfs/dbraw/zinc/40/87/24/570408724.db2.gz HTTMBFRSUWQUNB-QMMMGPOBSA-N 1 0 277.302 3.577 10 0 CHAERO c1ccc2c(c1)CCC[C@H]2[C@H]1CCC[N@H+]1Cc1cncnc1 ZINC000361155937 1127543206 /nfs/dbraw/zinc/54/32/06/1127543206.db2.gz YBKZLZWYWZKOBJ-RTBURBONSA-N 1 0 293.414 3.561 10 0 CHAERO CCC[NH+](CCC)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000105174864 1123034773 /nfs/dbraw/zinc/03/47/73/1123034773.db2.gz WQJFYSGLFHZJSU-UHFFFAOYSA-N 1 0 276.424 3.871 10 0 CHAERO Cc1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)o1 ZINC000449767773 1124866160 /nfs/dbraw/zinc/86/61/60/1124866160.db2.gz QXCKAYOTFGZYGI-OAHLLOKOSA-N 1 0 291.416 3.643 10 0 CHAERO c1c[n+](C[C@@H]2CCC3(CCCCC3)O2)cc2c1CCCC2 ZINC000191698666 1125328325 /nfs/dbraw/zinc/32/83/25/1125328325.db2.gz POXLBNJKRCFOFC-SFHVURJKSA-N 1 0 286.439 3.735 10 0 CHAERO C#[N+]c1cc(Br)ccc1Br ZINC000095698218 185018450 /nfs/dbraw/zinc/01/84/50/185018450.db2.gz CCBGBEIEUNZOTH-UHFFFAOYSA-N 1 0 260.916 3.762 10 0 CHAERO CCCc1nc(-c2ccccc2)sc1C[NH2+]CC ZINC000082426734 178002367 /nfs/dbraw/zinc/00/23/67/178002367.db2.gz RTUBJBAIGNPYSC-UHFFFAOYSA-N 1 0 260.406 3.872 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cccnc2)nc1C(C)C ZINC000082429809 178007401 /nfs/dbraw/zinc/00/74/01/178007401.db2.gz QXJKRGIAZUSSCS-UHFFFAOYSA-N 1 0 275.421 3.828 10 0 CHAERO CC(C)c1nc(-c2c(F)cccc2F)sc1C[NH3+] ZINC000082429857 178007520 /nfs/dbraw/zinc/00/75/20/178007520.db2.gz DRPDJOBPYAQRDB-UHFFFAOYSA-N 1 0 268.332 3.670 10 0 CHAERO [NH3+]Cc1sc(CSc2ccccc2)nc1C1CC1 ZINC000082436035 178013323 /nfs/dbraw/zinc/01/33/23/178013323.db2.gz CDNRTTVXJBJZTE-UHFFFAOYSA-N 1 0 276.430 3.772 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccccn2)nc1C1CC1 ZINC000082435648 178013345 /nfs/dbraw/zinc/01/33/45/178013345.db2.gz VUXGUXHUCZOZBH-UHFFFAOYSA-N 1 0 273.405 3.582 10 0 CHAERO CCCOc1ccc2c(c1)[C@@H]([NH2+]CC)CC(C)(C)O2 ZINC000082505903 178069946 /nfs/dbraw/zinc/06/99/46/178069946.db2.gz PYRJYMHZKVGLRR-AWEZNQCLSA-N 1 0 263.381 3.687 10 0 CHAERO C[NH2+][C@@H]1CC(C)(C)Oc2c(Cl)cc(Cl)cc21 ZINC000082505659 178070110 /nfs/dbraw/zinc/07/01/10/178070110.db2.gz SBKCQYNQCMNMLD-SNVBAGLBSA-N 1 0 260.164 3.815 10 0 CHAERO FC(F)(F)c1cc([C@H]2CCC[NH2+]C2)ccc1Cl ZINC000095828254 185029000 /nfs/dbraw/zinc/02/90/00/185029000.db2.gz JNULWDHFVOCURD-VIFPVBQESA-N 1 0 263.690 3.826 10 0 CHAERO CCC[NH2+]Cc1cnn(-c2ccccc2C)c1C(F)(F)F ZINC000082661566 178148669 /nfs/dbraw/zinc/14/86/69/178148669.db2.gz XFCRDECVZPBRJH-UHFFFAOYSA-N 1 0 297.324 3.699 10 0 CHAERO C[NH2+]Cc1cnn(-c2c(C)cc(C)cc2C)c1C(F)(F)F ZINC000082661890 178150410 /nfs/dbraw/zinc/15/04/10/178150410.db2.gz FZXYVZWHJPHRMJ-UHFFFAOYSA-N 1 0 297.324 3.536 10 0 CHAERO C[C@@H]([NH3+])c1ccc(F)c(-c2ccc(F)c(F)c2)c1 ZINC000082707025 178215246 /nfs/dbraw/zinc/21/52/46/178215246.db2.gz QSEJVMWXZWQXGS-MRVPVSSYSA-N 1 0 251.251 3.791 10 0 CHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(OC)cc2F)c1 ZINC000082710184 178221239 /nfs/dbraw/zinc/22/12/39/178221239.db2.gz WRIVGEAHULLHCT-SNVBAGLBSA-N 1 0 277.314 3.921 10 0 CHAERO [NH3+]C[C@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000082719127 178234413 /nfs/dbraw/zinc/23/44/13/178234413.db2.gz AODUZDLPDNTNHU-ZCFIWIBFSA-N 1 0 258.070 3.598 10 0 CHAERO CO[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccc(C)cc21 ZINC000096100204 185097830 /nfs/dbraw/zinc/09/78/30/185097830.db2.gz FYGGLWFUTPKDBQ-GOSISDBHSA-N 1 0 285.431 3.830 10 0 CHAERO Cc1nnc(Sc2ccccc2C[NH2+]C(C)(C)C)s1 ZINC000104291979 185956674 /nfs/dbraw/zinc/95/66/74/185956674.db2.gz LUQNTDPLCMCWCJ-UHFFFAOYSA-N 1 0 293.461 3.886 10 0 CHAERO [NH3+][C@@H](C[C@@H]1CCCc2ccccc21)c1ccncc1 ZINC000104304372 185960223 /nfs/dbraw/zinc/96/02/23/185960223.db2.gz ZICULAZYEFGTQM-RDJZCZTQSA-N 1 0 252.361 3.592 10 0 CHAERO CC[C@H](C)[NH2+]C[C@H](C)Oc1ccc(SC)cc1 ZINC000104333621 185972247 /nfs/dbraw/zinc/97/22/47/185972247.db2.gz VGZGLLZXSQACSB-RYUDHWBXSA-N 1 0 253.411 3.564 10 0 CHAERO CC[NH2+]CCC[C@@H](C)Oc1ccc(SC)cc1 ZINC000104339154 185974485 /nfs/dbraw/zinc/97/44/85/185974485.db2.gz DNZQAZHVSHQCLV-GFCCVEGCSA-N 1 0 253.411 3.566 10 0 CHAERO CC(C)CC[N@@H+]1CC[C@H](Nc2cccc3cnccc32)C1 ZINC000090769150 180037925 /nfs/dbraw/zinc/03/79/25/180037925.db2.gz UXMUTUJWYRULJB-INIZCTEOSA-N 1 0 283.419 3.767 10 0 CHAERO CCCOc1ccc([C@H](C[NH3+])c2ccccc2)cc1 ZINC000107296078 186168737 /nfs/dbraw/zinc/16/87/37/186168737.db2.gz SLJDJOIEMHEPLD-QGZVFWFLSA-N 1 0 255.361 3.566 10 0 CHAERO CCC[NH2+]C[C@H](C)c1c(C)nc([C@@H](C)CC)nc1C ZINC000111275452 186386580 /nfs/dbraw/zinc/38/65/80/186386580.db2.gz CFEAZAKQCVSLBM-RYUDHWBXSA-N 1 0 263.429 3.710 10 0 CHAERO Cc1nccc(C[NH2+]CC2CCC(C(C)(C)C)CC2)n1 ZINC000131333717 260402732 /nfs/dbraw/zinc/40/27/32/260402732.db2.gz SBGVCPPNSFNUIS-UHFFFAOYSA-N 1 0 275.440 3.727 10 0 CHAERO C[NH+](C)[C@H]1CCc2[nH]c3c(cccc3C(F)(F)F)c2C1 ZINC000169346204 188660612 /nfs/dbraw/zinc/66/06/12/188660612.db2.gz HKVUPYFTNACZRJ-VIFPVBQESA-N 1 0 282.309 3.606 10 0 CHAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000021505064 184536152 /nfs/dbraw/zinc/53/61/52/184536152.db2.gz XWEPTBANBFIQDW-IMJJTQAJSA-N 1 0 289.419 3.966 10 0 CHAERO CC[C@@H]1CCCC[C@H]1n1cc(C[NH2+]CC(C)C)cn1 ZINC000070978602 184572605 /nfs/dbraw/zinc/57/26/05/184572605.db2.gz QIAJYJZIHQLKMC-HZPDHXFCSA-N 1 0 263.429 3.770 10 0 CHAERO CC(C)(C)SCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000311733371 262339745 /nfs/dbraw/zinc/33/97/45/262339745.db2.gz PALOGSVXZLVWGP-RBSFLKMASA-N 1 0 285.497 3.534 10 0 CHAERO CC[NH2+][C@H]1CCOC[C@@H]1Cc1c(Cl)cccc1Cl ZINC000095091456 184940356 /nfs/dbraw/zinc/94/03/56/184940356.db2.gz LSTFIGYHVKDROF-HZMBPMFUSA-N 1 0 288.218 3.551 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1cc(Cl)ccc1C ZINC000083493753 135024793 /nfs/dbraw/zinc/02/47/93/135024793.db2.gz FVOGWRHTYCGTTK-UONOGXRCSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@H]1CN(c2cccc(Cl)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083493820 135024817 /nfs/dbraw/zinc/02/48/17/135024817.db2.gz GTQWCTKCWLYOJP-ZFWWWQNUSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cc(Cl)ccc1Cl ZINC000083536512 135027613 /nfs/dbraw/zinc/02/76/13/135027613.db2.gz RNUCMGNTJHEGEJ-MWLCHTKSSA-N 1 0 273.207 3.570 10 0 CHAERO CC(C)[C@@H]1CN(c2ccccc2C(C)(C)C)[C@H](C)C[NH2+]1 ZINC000083541855 135028306 /nfs/dbraw/zinc/02/83/06/135028306.db2.gz CSMRJVLEJJMJRA-ZBFHGGJFSA-N 1 0 274.452 3.807 10 0 CHAERO Cc1cccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1C ZINC000083542115 135028783 /nfs/dbraw/zinc/02/87/83/135028783.db2.gz CQWHPLFOOBEOQF-FUHWJXTLSA-N 1 0 274.452 3.762 10 0 CHAERO Cc1cc2ccccc2nc1SCCC[NH+](C)C ZINC000005798769 170141445 /nfs/dbraw/zinc/14/14/45/170141445.db2.gz AVZUMFSDIIWPQD-UHFFFAOYSA-N 1 0 260.406 3.587 10 0 CHAERO C[NH+](C)C[C@H](c1ccccc1Cl)C1(O)CCCCC1 ZINC000005958046 170162889 /nfs/dbraw/zinc/16/28/89/170162889.db2.gz OVSAXOVRTVDPOU-CQSZACIVSA-N 1 0 281.827 3.680 10 0 in-vitro CHAERO [NH3+][C@@H](Cc1cccs1)Cc1ccccc1Cl ZINC000011599885 170424972 /nfs/dbraw/zinc/42/49/72/170424972.db2.gz YDLQSGASVAEWMU-LLVKDONJSA-N 1 0 251.782 3.514 10 0 CHAERO COc1ccc(CC[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000011606271 170427034 /nfs/dbraw/zinc/42/70/34/170427034.db2.gz NCZKLSZWHUIXPB-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO [NH3+]Cc1cccc(-c2nc(-c3ccco3)cs2)c1 ZINC000011886675 170452445 /nfs/dbraw/zinc/45/24/45/170452445.db2.gz REBMUJQOMMBDKJ-UHFFFAOYSA-N 1 0 256.330 3.529 10 0 CHAERO Cc1cc(OCCOc2ccc(C[NH3+])cc2)ccc1Cl ZINC000011961176 170462982 /nfs/dbraw/zinc/46/29/82/170462982.db2.gz YVLRNCZCOOBUEK-UHFFFAOYSA-N 1 0 291.778 3.565 10 0 CHAERO CC[C@@H](C(=O)Nc1cccc([C@@H](C)[NH3+])c1)c1ccccc1 ZINC000019271606 170767258 /nfs/dbraw/zinc/76/72/58/170767258.db2.gz FUZMVVQCTRXIJR-CXAGYDPISA-N 1 0 282.387 3.839 10 0 CHAERO [NH3+][C@H](c1ccc(Br)cc1)c1c(F)cccc1F ZINC000019424214 170794013 /nfs/dbraw/zinc/79/40/13/170794013.db2.gz AYOLMVFDOVTXFF-CYBMUJFWSA-N 1 0 298.130 3.775 10 0 CHAERO Cc1ccc(O[C@H](C[NH3+])c2ccc(F)cc2)c(C)c1 ZINC000019671507 170835826 /nfs/dbraw/zinc/83/58/26/170835826.db2.gz JRSOTKLSINCESC-MRXNPFEDSA-N 1 0 259.324 3.521 10 0 CHAERO C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1ccc(O)cc1 ZINC000019906525 170918644 /nfs/dbraw/zinc/91/86/44/170918644.db2.gz KFJAEWKDRYZODD-OAHLLOKOSA-N 1 0 284.403 3.569 10 0 CHAERO CC(C)c1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000019919059 170926999 /nfs/dbraw/zinc/92/69/99/170926999.db2.gz QERLEOHJJLKTED-IGEOTXOUSA-N 1 0 261.409 3.764 10 0 CHAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000019945534 170936461 /nfs/dbraw/zinc/93/64/61/170936461.db2.gz KWZMIPPLTOJBTO-OFQRWUPVSA-N 1 0 289.419 3.905 10 0 CHAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccc2[nH]c3ccccc3c2c1 ZINC000019968282 170950402 /nfs/dbraw/zinc/95/04/02/170950402.db2.gz SFZSNPHXSXAJCG-JUKMUDQWSA-N 1 0 250.345 3.977 10 0 CHAERO COc1ccc(C[C@H]([NH3+])c2ccc(C)cc2C)cc1OC ZINC000019971318 170955260 /nfs/dbraw/zinc/95/52/60/170955260.db2.gz UGRPYEDJXLSQEW-INIZCTEOSA-N 1 0 285.387 3.563 10 0 CHAERO CCc1ccc([C@@H](CN)[N@@H+](CC)C2CCCCC2)cc1 ZINC000020004811 170966984 /nfs/dbraw/zinc/96/69/84/170966984.db2.gz FOMDBXWNOVQYGF-GOSISDBHSA-N 1 0 274.452 3.903 10 0 CHAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020081998 170986630 /nfs/dbraw/zinc/98/66/30/170986630.db2.gz IYKXFIPEQNFVBD-INIZCTEOSA-N 1 0 274.795 3.866 10 0 CHAERO C[C@@H]([NH2+][C@@H]1COc2cc(O)ccc21)c1ccc(Cl)cc1 ZINC000020121991 171001775 /nfs/dbraw/zinc/00/17/75/171001775.db2.gz BTVGMKIROVEFHX-MEBBXXQBSA-N 1 0 289.762 3.830 10 0 CHAERO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccs2)ccc1O ZINC000020148402 171036298 /nfs/dbraw/zinc/03/62/98/171036298.db2.gz NFHNDZLHZPBHDM-MNOVXSKESA-N 1 0 277.389 3.874 10 0 CHAERO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000020204876 171070034 /nfs/dbraw/zinc/07/00/34/171070034.db2.gz JGAVKABQXWCRJI-GJZGRUSLSA-N 1 0 269.344 3.770 10 0 CHAERO Clc1cccc(Cl)c1OCC[C@@H]1CCCC[NH2+]1 ZINC000020221551 171082785 /nfs/dbraw/zinc/08/27/85/171082785.db2.gz KJOHFVLABYARBK-JTQLQIEISA-N 1 0 274.191 3.904 10 0 CHAERO Cc1cccc([C@@H](C[NH3+])N(C)Cc2ccc(Cl)cc2)c1 ZINC000020225501 171088359 /nfs/dbraw/zinc/08/83/59/171088359.db2.gz VFRYCFKELJPSQR-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO CN(CCc1ccccc1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226036 171090026 /nfs/dbraw/zinc/09/00/26/171090026.db2.gz BCTNKSJXLKTZKX-KRWDZBQOSA-N 1 0 288.822 3.514 10 0 CHAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020225999 171090217 /nfs/dbraw/zinc/09/02/17/171090217.db2.gz YBKAUVYSLFZHMY-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO C[C@H]([NH3+])c1cccc(OCc2cccc3cccnc32)c1 ZINC000020246145 171099025 /nfs/dbraw/zinc/09/90/25/171099025.db2.gz UXFBZCAMYNGMSF-ZDUSSCGKSA-N 1 0 278.355 3.834 10 0 CHAERO Fc1ccc(CC[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000020246217 171099248 /nfs/dbraw/zinc/09/92/48/171099248.db2.gz LTRNLOOPCDXQJF-UHFFFAOYSA-N 1 0 280.346 3.706 10 0 CHAERO CCOc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000020268123 171124406 /nfs/dbraw/zinc/12/44/06/171124406.db2.gz FHDKBDANHZDWAN-INIZCTEOSA-N 1 0 280.371 3.657 10 0 CHAERO Cc1cc(C[NH2+][C@@H](C)c2cccs2)cc(C)c1O ZINC000020305501 171141828 /nfs/dbraw/zinc/14/18/28/171141828.db2.gz ZIRIQCVTVHZLDD-LBPRGKRZSA-N 1 0 261.390 3.921 10 0 CHAERO CCCCCC[NH2+]C[C@H](c1cccs1)N(C)C ZINC000020361606 171160221 /nfs/dbraw/zinc/16/02/21/171160221.db2.gz OOORWUXQEHURJJ-CYBMUJFWSA-N 1 0 254.443 3.521 10 0 CHAERO CC(C)(C[NH3+])Oc1ccc(Oc2ccccc2)cc1 ZINC000020398668 171181501 /nfs/dbraw/zinc/18/15/01/171181501.db2.gz WULILAWFMVWRFV-UHFFFAOYSA-N 1 0 257.333 3.595 10 0 CHAERO CC[NH+](CC)Cn1c2ccccc2nc1Cc1ccccc1 ZINC000020413108 171183228 /nfs/dbraw/zinc/18/32/28/171183228.db2.gz QYFXTPSAJPQGTR-UHFFFAOYSA-N 1 0 293.414 3.926 10 0 CHAERO Cc1cc(C)c(C)c(Oc2ccccc2C(N)=[NH2+])c1 ZINC000020425599 171191907 /nfs/dbraw/zinc/19/19/07/171191907.db2.gz IQSKANCTYDTLEH-UHFFFAOYSA-N 1 0 254.333 3.688 10 0 CHAERO [NH3+][C@H](Cc1ccccn1)c1cccc(Cl)c1Cl ZINC000020429032 171194193 /nfs/dbraw/zinc/19/41/93/171194193.db2.gz FGDZTFYHSKNBJP-GFCCVEGCSA-N 1 0 267.159 3.631 10 0 CHAERO CC(C)C[NH2+][C@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020468691 171210714 /nfs/dbraw/zinc/21/07/14/171210714.db2.gz KFJJUQUDRYWIGI-GFCCVEGCSA-N 1 0 253.361 3.920 10 0 CHAERO [NH3+]Cc1c(Cl)cccc1Oc1cccc(F)c1 ZINC000020470307 171212179 /nfs/dbraw/zinc/21/21/79/171212179.db2.gz WSHBWGULYUTQRH-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc(Br)cc2F)cc1 ZINC000020474063 171218279 /nfs/dbraw/zinc/21/82/79/171218279.db2.gz HWXFCFFUIVRSDD-UHFFFAOYSA-N 1 0 296.139 3.839 10 0 CHAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000020482268 171223173 /nfs/dbraw/zinc/22/31/73/171223173.db2.gz OYUWUTDONGHAJI-LRDDRELGSA-N 1 0 263.381 3.674 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1O[C@H]1CCC[C@@H](C)C1 ZINC000020517089 171232631 /nfs/dbraw/zinc/23/26/31/171232631.db2.gz OBZFOIXHHPYZHD-UTUOFQBUSA-N 1 0 251.345 3.803 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@@H]1CCC[C@H](C)C1 ZINC000020517096 171232659 /nfs/dbraw/zinc/23/26/59/171232659.db2.gz KIMRWIOFYBVALO-DMDPSCGWSA-N 1 0 251.345 3.803 10 0 CHAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCC[C@H](C)C2)c(F)c1 ZINC000020517102 171232883 /nfs/dbraw/zinc/23/28/83/171232883.db2.gz PHYKQPSNTYHKOP-LOWVWBTDSA-N 1 0 251.345 3.803 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccccc2C)cc1Cl ZINC000020521920 171235613 /nfs/dbraw/zinc/23/56/13/171235613.db2.gz KYBMSDZHJFAGGL-OAHLLOKOSA-N 1 0 261.752 3.705 10 0 CHAERO CC(C)[NH2+]CCCOc1cccc(Cl)c1Cl ZINC000020525430 171238046 /nfs/dbraw/zinc/23/80/46/171238046.db2.gz SZIVYTQEAQOWLO-UHFFFAOYSA-N 1 0 262.180 3.760 10 0 CHAERO CCC[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000020525386 171238049 /nfs/dbraw/zinc/23/80/49/171238049.db2.gz OBEHMJWJEVDDLG-UHFFFAOYSA-N 1 0 255.361 3.732 10 0 CHAERO [NH3+][C@H]1CCC[C@@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000020544637 171242847 /nfs/dbraw/zinc/24/28/47/171242847.db2.gz VNFBWGWNZWGBEA-IRXDYDNUSA-N 1 0 269.344 3.738 10 0 CHAERO COc1ccc(OC[C@@H]([NH3+])C(C)(C)C)c(C(C)(C)C)c1 ZINC000020545818 171243585 /nfs/dbraw/zinc/24/35/85/171243585.db2.gz AQDFKSNNXLWVHD-OAHLLOKOSA-N 1 0 279.424 3.745 10 0 CHAERO CC(C)c1cccc(O[C@@H]2COc3ccccc3[C@@H]2[NH3+])c1 ZINC000020546443 171244087 /nfs/dbraw/zinc/24/40/87/171244087.db2.gz GQGOTYOCHLVRCI-MSOLQXFVSA-N 1 0 283.371 3.650 10 0 CHAERO CCCC[N@H+](CC)C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000020547090 171244303 /nfs/dbraw/zinc/24/43/03/171244303.db2.gz GERSKCGPCDDWHW-QGZVFWFLSA-N 1 0 262.441 3.932 10 0 CHAERO CC(C)CO[C@@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000020547721 171244935 /nfs/dbraw/zinc/24/49/35/171244935.db2.gz VUVOOWFFPLOLMS-OALUTQOASA-N 1 0 283.415 3.970 10 0 CHAERO CC(C)[C@H](Oc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000020547795 171244993 /nfs/dbraw/zinc/24/49/93/171244993.db2.gz WHKAURLHIPDHES-SJORKVTESA-N 1 0 273.351 3.929 10 0 CHAERO CC(C)c1ccc([C@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020548671 171245842 /nfs/dbraw/zinc/24/58/42/171245842.db2.gz OBPJVJGSPLPUOH-DAYGRLMNSA-N 1 0 274.452 3.788 10 0 CHAERO CCCOc1ccc([C@@H]([NH3+])CO[C@@H](C)CC(C)C)cc1 ZINC000020549498 171246123 /nfs/dbraw/zinc/24/61/23/171246123.db2.gz SIYOBUSJMJHWGV-YOEHRIQHSA-N 1 0 279.424 3.926 10 0 CHAERO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1F ZINC000020549977 171246827 /nfs/dbraw/zinc/24/68/27/171246827.db2.gz RXJCHMSHOIXLEY-ZDUSSCGKSA-N 1 0 288.366 3.859 10 0 CHAERO Cc1ccccc1O[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020554559 171249654 /nfs/dbraw/zinc/24/96/54/171249654.db2.gz BOLBSPIRZRROMU-YCPHGPKFSA-N 1 0 261.409 3.916 10 0 CHAERO CC1CC[NH+](C2(CN)CCC(c3ccccc3)CC2)CC1 ZINC000020557453 171250484 /nfs/dbraw/zinc/25/04/84/171250484.db2.gz VDDBFPGEIMGJEQ-UHFFFAOYSA-N 1 0 286.463 3.774 10 0 CHAERO CN(C)[C@@H](C[NH2+]CCCc1ccccc1)c1ccccc1 ZINC000020557836 171250748 /nfs/dbraw/zinc/25/07/48/171250748.db2.gz BDLXVDWGQCQBPG-IBGZPJMESA-N 1 0 282.431 3.512 10 0 CHAERO CC(C)[C@H](CN[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC000020561981 171252343 /nfs/dbraw/zinc/25/23/43/171252343.db2.gz WTOLLZFGJOHADL-WFASDCNBSA-N 1 0 268.832 3.577 10 0 CHAERO COc1ccccc1C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000020564073 171252944 /nfs/dbraw/zinc/25/29/44/171252944.db2.gz VIZZUGXJQYZCPS-DZGCQCFKSA-N 1 0 261.409 4.000 10 0 CHAERO CCN(CC)CC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000020564652 171253479 /nfs/dbraw/zinc/25/34/79/171253479.db2.gz NBICQZAPHMEZBB-MRXNPFEDSA-N 1 0 276.468 3.878 10 0 CHAERO CCN1CCC[C@@H]1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000020565592 171253863 /nfs/dbraw/zinc/25/38/63/171253863.db2.gz QLLZSLKRNNSQSC-MSOLQXFVSA-N 1 0 274.452 3.848 10 0 CHAERO Nc1c[nH+]ccc1Nc1ccccc1SC(F)F ZINC000020585114 171258732 /nfs/dbraw/zinc/25/87/32/171258732.db2.gz QUEIRHKQVKIXMU-UHFFFAOYSA-N 1 0 267.304 3.722 10 0 CHAERO COc1cc([C@H]([NH3+])c2ccc(C)c(C)c2)ccc1C ZINC000020587152 171259442 /nfs/dbraw/zinc/25/94/42/171259442.db2.gz WEDYRCPQAVLOQZ-QGZVFWFLSA-N 1 0 255.361 3.669 10 0 CHAERO CCC[C@H](C)[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586583 171259542 /nfs/dbraw/zinc/25/95/42/171259542.db2.gz YVJKADJSVWZNAR-ZANVPECISA-N 1 0 286.213 3.894 10 0 CHAERO Cc1cc(C)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595893 171264320 /nfs/dbraw/zinc/26/43/20/171264320.db2.gz XPXNJMMQQNLQTO-SFHVURJKSA-N 1 0 280.415 3.990 10 0 CHAERO Cc1cc(C)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595891 171264440 /nfs/dbraw/zinc/26/44/40/171264440.db2.gz XPXNJMMQQNLQTO-GOSISDBHSA-N 1 0 280.415 3.990 10 0 CHAERO CCCOc1ccccc1C[NH2+]Cc1cccs1 ZINC000020924410 171279949 /nfs/dbraw/zinc/27/99/49/171279949.db2.gz GVYZECPIMWLGDT-UHFFFAOYSA-N 1 0 261.390 3.827 10 0 CHAERO [NH3+][C@H]1c2ccccc2CCC[C@@H]1Oc1cccc(F)c1 ZINC000021008803 171285344 /nfs/dbraw/zinc/28/53/44/171285344.db2.gz BWTCVCSSOVLPCE-IRXDYDNUSA-N 1 0 271.335 3.609 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000021008514 171285427 /nfs/dbraw/zinc/28/54/27/171285427.db2.gz CODDECAQQLXUSU-ZQIUZPCESA-N 1 0 261.409 3.857 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000021008516 171285669 /nfs/dbraw/zinc/28/56/69/171285669.db2.gz CODDECAQQLXUSU-VBQJREDUSA-N 1 0 261.409 3.857 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@H+](C2(CN)CCC(C(C)(C)C)CC2)C1 ZINC000021012009 171287668 /nfs/dbraw/zinc/28/76/68/171287668.db2.gz ASXQZYRZAXXXJH-SFYZZRBRSA-N 1 0 280.500 3.898 10 0 CHAERO CC[C@H](Oc1ccc(C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000021013113 171288330 /nfs/dbraw/zinc/28/83/30/171288330.db2.gz YFXWRBCYRWMRCS-DLBZAZTESA-N 1 0 255.361 3.852 10 0 CHAERO CCCc1ccc([C@@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021027320 171291144 /nfs/dbraw/zinc/29/11/44/171291144.db2.gz BAKFSGPULGKDPP-DAYGRLMNSA-N 1 0 274.452 3.902 10 0 CHAERO CCCCC[C@@H](C)[NH2+]C[C@@H](C(CC)CC)N(C)C ZINC000021040113 171293404 /nfs/dbraw/zinc/29/34/04/171293404.db2.gz ILBOEMIUPDTXDR-ZBFHGGJFSA-N 1 0 256.478 3.911 10 0 CHAERO CC(C)CCO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021046464 171294385 /nfs/dbraw/zinc/29/43/85/171294385.db2.gz NJPJZFVMGXMQLJ-YESZJQIVSA-N 1 0 261.409 3.713 10 0 CHAERO CC[N@H+](C[C@H](N)c1ccc(C)cc1C)C1CCCCC1 ZINC000021047532 171294600 /nfs/dbraw/zinc/29/46/00/171294600.db2.gz YJSPVRJCCMBABU-SFHVURJKSA-N 1 0 274.452 3.958 10 0 CHAERO Cc1ccccc1[C@H]([NH3+])COc1c(C)cccc1C ZINC000021501604 171305935 /nfs/dbraw/zinc/30/59/35/171305935.db2.gz PCXKABWVNDFIPX-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO [NH3+][C@H]1c2ccccc2C[C@@H]1Oc1ccc2ccccc2c1 ZINC000021504334 171307183 /nfs/dbraw/zinc/30/71/83/171307183.db2.gz MYOGJYIDFZJMAS-OALUTQOASA-N 1 0 275.351 3.843 10 0 CHAERO [NH3+][C@H]1c2ccccc2CCC[C@H]1Oc1ccc(F)cc1 ZINC000021505967 171307487 /nfs/dbraw/zinc/30/74/87/171307487.db2.gz PQLABYGEJPXEFW-SJORKVTESA-N 1 0 271.335 3.609 10 0 CHAERO CCC(C)(C)C1CCC([NH2+]CC(C)(C)N(C)C)CC1 ZINC000021505430 171307609 /nfs/dbraw/zinc/30/76/09/171307609.db2.gz MUBZWUPLBNCQJM-UHFFFAOYSA-N 1 0 268.489 3.911 10 0 CHAERO CCCc1ccc([C@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021507832 171308944 /nfs/dbraw/zinc/30/89/44/171308944.db2.gz BXJXXXRTMFIEJM-IIDMSEBBSA-N 1 0 274.452 3.617 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](C)Oc1ccc(Oc2ccccc2)cc1 ZINC000021509412 171309136 /nfs/dbraw/zinc/30/91/36/171309136.db2.gz UTVIWJSIGNUFIN-CXAGYDPISA-N 1 0 271.360 3.984 10 0 CHAERO CC[C@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1ccc(C)cc1 ZINC000021508604 171309429 /nfs/dbraw/zinc/30/94/29/171309429.db2.gz REMOWKPXBYFBDZ-USXIJHARSA-N 1 0 261.409 3.980 10 0 CHAERO CC(C)[C@@H]([C@H](N)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021513433 171311320 /nfs/dbraw/zinc/31/13/20/171311320.db2.gz VQXXZKPPMIZYOW-ATLSCFEFSA-N 1 0 274.452 3.689 10 0 CHAERO CCc1ccc(OC[C@H]([NH3+])c2ccc(CC)cc2)cc1 ZINC000021517447 171313797 /nfs/dbraw/zinc/31/37/97/171313797.db2.gz HBEHWBUJFCDTKP-SFHVURJKSA-N 1 0 269.388 3.890 10 0 CHAERO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC(C)(C)C1 ZINC000021518595 171314670 /nfs/dbraw/zinc/31/46/70/171314670.db2.gz RNXUGOWDZSAXNK-ZFWWWQNUSA-N 1 0 289.419 3.762 10 0 CHAERO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC000021518975 171314788 /nfs/dbraw/zinc/31/47/88/171314788.db2.gz JTMRHKBOXZWLCW-IUODEOHRSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)N(C)C ZINC000021520191 171315656 /nfs/dbraw/zinc/31/56/56/171315656.db2.gz ANSOAVJJHDNFBO-OWCLPIDISA-N 1 0 268.489 3.767 10 0 CHAERO Cc1ccc(C)c([C@H](N)C[N@@H+](C)C2CCCCC2)c1 ZINC000021520962 171316083 /nfs/dbraw/zinc/31/60/83/171316083.db2.gz WLIKYECTOKUNNY-QGZVFWFLSA-N 1 0 260.425 3.568 10 0 CHAERO C[C@@H]([NH3+])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000021786381 171322477 /nfs/dbraw/zinc/32/24/77/171322477.db2.gz NHBHAKIKCWPBIA-LLVKDONJSA-N 1 0 263.425 3.877 10 0 CHAERO CCCC[N@H+](CC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000021800418 171325837 /nfs/dbraw/zinc/32/58/37/171325837.db2.gz XHNPTZFBJNGWQZ-SOUVJXGZSA-N 1 0 254.462 3.651 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H]([NH+]2CCCCCCC2)C1 ZINC000021800607 171325903 /nfs/dbraw/zinc/32/59/03/171325903.db2.gz KIGYXHLLLJAMKE-OAGGEKHMSA-N 1 0 266.473 3.795 10 0 CHAERO CCCOc1ccccc1O[C@@H](CC)[C@H]([NH3+])CCC ZINC000021800905 171325965 /nfs/dbraw/zinc/32/59/65/171325965.db2.gz IZYNBXIEVWLPQK-KGLIPLIRSA-N 1 0 265.397 3.760 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])COc2ccc(CC)cc2)cc1 ZINC000021809344 171328681 /nfs/dbraw/zinc/32/86/81/171328681.db2.gz KBVTWYYRSMIJMB-SFHVURJKSA-N 1 0 285.387 3.727 10 0 CHAERO CCN(C[C@H]([NH3+])c1cccc(OC)c1)c1ccccc1C ZINC000021810403 171328783 /nfs/dbraw/zinc/32/87/83/171328783.db2.gz BBLKFXJMAPEMMC-KRWDZBQOSA-N 1 0 284.403 3.530 10 0 CHAERO Cc1ccc(OC[C@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000021812895 171330073 /nfs/dbraw/zinc/33/00/73/171330073.db2.gz QXCSRMPSUJGPKN-CQSZACIVSA-N 1 0 261.409 3.813 10 0 CHAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022209558 171372994 /nfs/dbraw/zinc/37/29/94/171372994.db2.gz PEEXWZIMIXANFD-FZMZJTMJSA-N 1 0 286.341 3.580 10 0 CHAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000022219980 171377377 /nfs/dbraw/zinc/37/73/77/171377377.db2.gz VFGRLNOPWMGMHC-FZMZJTMJSA-N 1 0 286.341 3.580 10 0 CHAERO COc1ccccc1OC[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000022567161 171392751 /nfs/dbraw/zinc/39/27/51/171392751.db2.gz RCPJDBUWPYGCLL-OAHLLOKOSA-N 1 0 285.387 3.699 10 0 CHAERO Cc1cc(SCCC[NH+](C)C)nc2ccccc12 ZINC000032528594 171731891 /nfs/dbraw/zinc/73/18/91/171731891.db2.gz IVPUNFOEGCWNTB-UHFFFAOYSA-N 1 0 260.406 3.587 10 0 CHAERO COc1ccccc1OCCC[NH+](C(C)C)C(C)C ZINC000033809296 171821389 /nfs/dbraw/zinc/82/13/89/171821389.db2.gz GEOKLJXYSBTELS-UHFFFAOYSA-N 1 0 265.397 3.583 10 0 CHAERO C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)s1 ZINC000034670964 171856804 /nfs/dbraw/zinc/85/68/04/171856804.db2.gz MPMDADTUMVWPIY-UHFFFAOYSA-N 1 0 255.745 3.927 10 0 CHAERO CCCCCOc1ccc(C[NH2+]CCC)cc1OC ZINC000034816993 171870276 /nfs/dbraw/zinc/87/02/76/171870276.db2.gz KEOCEMFGAOLSOA-UHFFFAOYSA-N 1 0 265.397 3.764 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1OCc1ccc(C)cc1 ZINC000034820714 171874225 /nfs/dbraw/zinc/87/42/25/171874225.db2.gz SGAOUCGJDCSNAU-CQSZACIVSA-N 1 0 255.361 3.854 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(OCCC(C)C)c(F)c1 ZINC000034842802 171886099 /nfs/dbraw/zinc/88/60/99/171886099.db2.gz KNPBDIQGDMFQAN-LBPRGKRZSA-N 1 0 253.361 3.921 10 0 CHAERO [NH3+][C@H](Cc1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000034940453 171899857 /nfs/dbraw/zinc/89/98/57/171899857.db2.gz WGQOEYAPKZJWLM-MRXNPFEDSA-N 1 0 266.319 3.616 10 0 CHAERO [NH3+][C@@H](Cc1c(F)cccc1Cl)c1ccc2c(c1)CCO2 ZINC000034940099 171899929 /nfs/dbraw/zinc/89/99/29/171899929.db2.gz UDQRFQKTHYUWNB-HNNXBMFYSA-N 1 0 291.753 3.657 10 0 CHAERO C[C@@H]([NH2+]C[C@H]1CCCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000035151137 172014447 /nfs/dbraw/zinc/01/44/47/172014447.db2.gz MNTFPUNTGHXTOS-IXRCJPEJSA-N 1 0 277.452 3.750 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccccc2Br)o1 ZINC000035161790 172021288 /nfs/dbraw/zinc/02/12/88/172021288.db2.gz XRTJLIQVFQJVSZ-UHFFFAOYSA-N 1 0 280.165 3.819 10 0 CHAERO COc1ccc(C)cc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000035161975 172021783 /nfs/dbraw/zinc/02/17/83/172021783.db2.gz LDZZIFJLHNMKNZ-HNNXBMFYSA-N 1 0 269.388 3.897 10 0 CHAERO Fc1cccc(CC[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000035163348 172024395 /nfs/dbraw/zinc/02/43/95/172024395.db2.gz FDTVQLMKOLZTIR-UHFFFAOYSA-N 1 0 273.395 3.783 10 0 CHAERO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)cs1 ZINC000035258203 172089163 /nfs/dbraw/zinc/08/91/63/172089163.db2.gz LJLFNHIBWNZDGU-MNOVXSKESA-N 1 0 278.343 3.662 10 0 CHAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000035258242 172089316 /nfs/dbraw/zinc/08/93/16/172089316.db2.gz FAVFLCFHBUXXQU-QWRGUYRKSA-N 1 0 267.360 3.593 10 0 CHAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000035258243 172089747 /nfs/dbraw/zinc/08/97/47/172089747.db2.gz FAVFLCFHBUXXQU-WDEREUQCSA-N 1 0 267.360 3.593 10 0 CHAERO CCC[NH2+][C@H](CC)c1ccc(OCCOCC)cc1 ZINC000035358865 172149270 /nfs/dbraw/zinc/14/92/70/172149270.db2.gz SBYUWWNCXCDPAT-MRXNPFEDSA-N 1 0 265.397 3.553 10 0 CHAERO [NH3+][C@@H](c1cccs1)c1ccc(Br)s1 ZINC000035379711 172162134 /nfs/dbraw/zinc/16/21/34/172162134.db2.gz OYWIUNWFTBDAKO-VIFPVBQESA-N 1 0 274.208 3.620 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)s2)cc1 ZINC000035379626 172162351 /nfs/dbraw/zinc/16/23/51/172162351.db2.gz CSQNXQARSPZBLD-GFCCVEGCSA-N 1 0 298.205 3.567 10 0 CHAERO [NH3+][C@H](c1cc2c(s1)CCC2)c1ccc2c(c1)CCC2 ZINC000035381292 172163171 /nfs/dbraw/zinc/16/31/71/172163171.db2.gz YNYFEHCQEBSUJW-KRWDZBQOSA-N 1 0 269.413 3.774 10 0 CHAERO Cc1ccsc1[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000035381137 172163659 /nfs/dbraw/zinc/16/36/59/172163659.db2.gz HUGRFNLMGHLAAL-NSHDSACASA-N 1 0 257.280 3.522 10 0 CHAERO CCC[NH2+]Cc1cccc(OC)c1OCCC(C)C ZINC000035413739 172186811 /nfs/dbraw/zinc/18/68/11/172186811.db2.gz DYOJTIDDNVJNIS-UHFFFAOYSA-N 1 0 265.397 3.620 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(C)c(C)c1 ZINC000035456972 172206796 /nfs/dbraw/zinc/20/67/96/172206796.db2.gz REHFNYIQUOCUPM-CQSZACIVSA-N 1 0 294.192 3.968 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)c(Br)c1)C1CCC1 ZINC000035455762 172207013 /nfs/dbraw/zinc/20/70/13/172207013.db2.gz NMHBDEZUZDHWFR-CYBMUJFWSA-N 1 0 284.197 3.518 10 0 CHAERO CCOc1ccccc1[C@@H]([NH2+]C)c1ccc(C)s1 ZINC000035459255 172208282 /nfs/dbraw/zinc/20/82/82/172208282.db2.gz NXXQGBSLNYTNHE-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035459092 172208437 /nfs/dbraw/zinc/20/84/37/172208437.db2.gz XZVNZEKDXCWPDX-CYBMUJFWSA-N 1 0 253.317 3.644 10 0 CHAERO CCOc1ccccc1[C@H]([NH2+]C)c1ccc(C)s1 ZINC000035459252 172208617 /nfs/dbraw/zinc/20/86/17/172208617.db2.gz NXXQGBSLNYTNHE-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO C[NH2+][C@@H](c1ccoc1C)c1ccc(OC)c(Cl)c1 ZINC000035461657 172210101 /nfs/dbraw/zinc/21/01/01/172210101.db2.gz PRMYNRLMRIEROP-CQSZACIVSA-N 1 0 265.740 3.559 10 0 CHAERO C[NH2+][C@@H](c1occc1C)c1ccc(OC)c(Cl)c1 ZINC000035461625 172210107 /nfs/dbraw/zinc/21/01/07/172210107.db2.gz CIQNEKFKXZJGMC-CYBMUJFWSA-N 1 0 265.740 3.559 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000035462794 172210780 /nfs/dbraw/zinc/21/07/80/172210780.db2.gz GQFGTYUNPLEGOY-AWEZNQCLSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000035463724 172211769 /nfs/dbraw/zinc/21/17/69/172211769.db2.gz LPMGTEGKKUUEFQ-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000035464334 172212303 /nfs/dbraw/zinc/21/23/03/172212303.db2.gz YXPUAVLORVNOHM-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@@H](c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000035467775 172216185 /nfs/dbraw/zinc/21/61/85/172216185.db2.gz YIUZDOWDFPGYGK-INIZCTEOSA-N 1 0 273.763 3.584 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc(CCOC)cc1 ZINC000035467408 172216276 /nfs/dbraw/zinc/21/62/76/172216276.db2.gz GLULHNJCKFRRHM-HNNXBMFYSA-N 1 0 275.417 3.554 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc(F)cc1F ZINC000035491529 172225315 /nfs/dbraw/zinc/22/53/15/172225315.db2.gz ABMOVUZJQKIUEO-LBPRGKRZSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1C)c1ccc(F)cc1F ZINC000035491811 172226439 /nfs/dbraw/zinc/22/64/39/172226439.db2.gz ZVGXJRSRHRVYIO-MRXNPFEDSA-N 1 0 261.315 3.776 10 0 CHAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000035492040 172226594 /nfs/dbraw/zinc/22/65/94/172226594.db2.gz RJRPTHVNDNBSBV-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(F)cc1F ZINC000035497685 172231160 /nfs/dbraw/zinc/23/11/60/172231160.db2.gz COVHGQYGKZGMEZ-CQSZACIVSA-N 1 0 267.344 3.952 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cccc(OC)c1 ZINC000035497706 172231301 /nfs/dbraw/zinc/23/13/01/172231301.db2.gz CGDNEYAXCOTWSM-OAHLLOKOSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1cc(F)ccc1OC ZINC000035498969 172232122 /nfs/dbraw/zinc/23/21/22/172232122.db2.gz BISHPYLUSKUZSX-CYBMUJFWSA-N 1 0 265.353 3.513 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000035498360 172232134 /nfs/dbraw/zinc/23/21/34/172232134.db2.gz QXFDYXCOTDNMFI-GFCCVEGCSA-N 1 0 255.745 3.849 10 0 CHAERO CCC[C@H](C)[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501361 172235838 /nfs/dbraw/zinc/23/58/38/172235838.db2.gz FIUHTPYHUQXBPP-BONVTDFDSA-N 1 0 283.799 3.808 10 0 CHAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)[C@@H]1C[C@@H]1C ZINC000035502360 172237526 /nfs/dbraw/zinc/23/75/26/172237526.db2.gz HRMUATRHLOGDDK-MYINAIGISA-N 1 0 250.194 3.971 10 0 CHAERO CC[NH2+][C@H](c1cc(Br)ccc1OC)C1CCC1 ZINC000035509149 172240669 /nfs/dbraw/zinc/24/06/69/172240669.db2.gz IPUVLWKAIQVJKF-AWEZNQCLSA-N 1 0 298.224 3.908 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000035541044 172247900 /nfs/dbraw/zinc/24/79/00/172247900.db2.gz WOZRESBHVZARCN-INIZCTEOSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1cc(F)cc(F)c1 ZINC000035541064 172248119 /nfs/dbraw/zinc/24/81/19/172248119.db2.gz PUUOLVSPJUCDOS-INIZCTEOSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@H](c1sccc1C)c1ccc2c(c1)CCO2 ZINC000035542155 172250212 /nfs/dbraw/zinc/25/02/12/172250212.db2.gz GLOQFCGMAQIVIT-HNNXBMFYSA-N 1 0 273.401 3.690 10 0 CHAERO CC[NH2+][C@H](Cc1ccccc1)c1cc(F)ccc1F ZINC000035543846 172252249 /nfs/dbraw/zinc/25/22/49/172252249.db2.gz CBPHVUJAQHUILR-MRXNPFEDSA-N 1 0 261.315 3.858 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccccc1OCC ZINC000035545621 172253477 /nfs/dbraw/zinc/25/34/77/172253477.db2.gz CKELWNMSEKPWOO-OAHLLOKOSA-N 1 0 261.390 3.846 10 0 CHAERO CCC[C@H]([NH2+]CC)c1cc2c(cc1Cl)OCCO2 ZINC000035557730 172263195 /nfs/dbraw/zinc/26/31/95/172263195.db2.gz HCNFYYZLXRRMDZ-LBPRGKRZSA-N 1 0 269.772 3.562 10 0 CHAERO CC[NH2+][C@@H](c1cc(OC)c(OC)cc1Cl)[C@@H]1C[C@@H]1C ZINC000035557636 172263504 /nfs/dbraw/zinc/26/35/04/172263504.db2.gz VBWQQJLQWJWSAL-FEUHOPSXSA-N 1 0 283.799 3.664 10 0 CHAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035570066 172265369 /nfs/dbraw/zinc/26/53/69/172265369.db2.gz RACIAZXDWDSBLP-LBPRGKRZSA-N 1 0 284.190 3.610 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)c(C)c1 ZINC000035571686 172267565 /nfs/dbraw/zinc/26/75/65/172267565.db2.gz JNDRNVPPPNVSPN-NSHDSACASA-N 1 0 261.287 3.607 10 0 CHAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)c(F)c1 ZINC000035572269 172268513 /nfs/dbraw/zinc/26/85/13/172268513.db2.gz MGLIGAQQFUNUJN-CYBMUJFWSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@H](c1ccncc1)c1ccc(C)c(C)c1 ZINC000035572803 172269304 /nfs/dbraw/zinc/26/93/04/172269304.db2.gz CAZRGIWQOIGPJJ-QGZVFWFLSA-N 1 0 254.377 3.787 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)c(Br)c1)C1CC1 ZINC000035572558 172269334 /nfs/dbraw/zinc/26/93/34/172269334.db2.gz FOQZQYWGCNPKIV-CQSZACIVSA-N 1 0 298.224 3.908 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000035583670 172281916 /nfs/dbraw/zinc/28/19/16/172281916.db2.gz GXIUZCOIDHSDDZ-JOYOIKCWSA-N 1 0 259.802 3.621 10 0 CHAERO CC[NH2+][C@H](C)c1cc(C)ccc1OCC(F)(F)F ZINC000035629761 172311123 /nfs/dbraw/zinc/31/11/23/172311123.db2.gz DMIHVIBCJGIXTN-SNVBAGLBSA-N 1 0 261.287 3.607 10 0 CHAERO CC(C)Oc1ccc2ccccc2c1C[NH2+]C1CC1 ZINC000035630727 172312604 /nfs/dbraw/zinc/31/26/04/172312604.db2.gz SKQLMXRZMVZTNV-UHFFFAOYSA-N 1 0 255.361 3.879 10 0 CHAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)CCC(C)C ZINC000035643612 172321268 /nfs/dbraw/zinc/32/12/68/172321268.db2.gz GBCVZFCSGPEWRE-CYBMUJFWSA-N 1 0 262.397 3.732 10 0 CHAERO CCC[NH2+][C@@H]1CCCOc2c(Br)cc(C)cc21 ZINC000035653787 172330371 /nfs/dbraw/zinc/33/03/71/172330371.db2.gz WWENJAUADXRGHG-CYBMUJFWSA-N 1 0 298.224 3.971 10 0 CHAERO Cc1cc(Br)c2c(c1)[C@H]([NH2+]C1CC1)CCCO2 ZINC000035653781 172330737 /nfs/dbraw/zinc/33/07/37/172330737.db2.gz XLAHAKWIXZAOHN-CYBMUJFWSA-N 1 0 296.208 3.723 10 0 CHAERO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCOC ZINC000035662095 172340416 /nfs/dbraw/zinc/34/04/16/172340416.db2.gz KBRGATOFOFUFOJ-UHFFFAOYSA-N 1 0 292.206 3.518 10 0 CHAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000035717100 172371016 /nfs/dbraw/zinc/37/10/16/172371016.db2.gz HFQPBNSYMITKAE-JTQLQIEISA-N 1 0 286.853 3.595 10 0 CHAERO C[C@H]1CC(C)(C)C[C@](C[NH3+])(N(C)Cc2cccs2)C1 ZINC000035717217 172371419 /nfs/dbraw/zinc/37/14/19/172371419.db2.gz WGICFRHCUJGLFN-XJKSGUPXSA-N 1 0 280.481 3.724 10 0 CHAERO CCCCCC[C@](C)(C[NH3+])N(C)Cc1ccsc1 ZINC000035718998 172373522 /nfs/dbraw/zinc/37/35/22/172373522.db2.gz KUBMLDUTSWTTBB-OAHLLOKOSA-N 1 0 268.470 3.868 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1N(C)Cc1ccsc1 ZINC000035719366 172374388 /nfs/dbraw/zinc/37/43/88/172374388.db2.gz KYDCRGYTFHLROV-SNVBAGLBSA-N 1 0 264.369 3.543 10 0 CHAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](SCc2ccco2)C1 ZINC000035721820 172377741 /nfs/dbraw/zinc/37/77/41/172377741.db2.gz ODWNLCYMONFYJS-YRGRVCCFSA-N 1 0 253.411 3.666 10 0 CHAERO COc1cccc(S[C@@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000035723285 172378687 /nfs/dbraw/zinc/37/86/87/172378687.db2.gz QFUILIQKKHROCO-SWLSCSKDSA-N 1 0 265.422 3.695 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1ccccc1Cl ZINC000035723440 172378826 /nfs/dbraw/zinc/37/88/26/172378826.db2.gz MHDATJJXPAZZMQ-JQWIXIFHSA-N 1 0 255.814 3.950 10 0 CHAERO [NH3+]Cc1ccc(CSc2nc3ccccc3o2)cc1 ZINC000035724367 172379322 /nfs/dbraw/zinc/37/93/22/172379322.db2.gz PNGBAWSSCGMCJQ-UHFFFAOYSA-N 1 0 270.357 3.579 10 0 CHAERO [NH3+]Cc1ccccc1CSc1cc(F)ccc1F ZINC000035724958 172380219 /nfs/dbraw/zinc/38/02/19/172380219.db2.gz SFHQOAYSDRQKIC-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO Cc1cc(Cl)ccc1OCc1cc(C[NH3+])ccc1F ZINC000035726829 172380918 /nfs/dbraw/zinc/38/09/18/172380918.db2.gz BRFJWVBYQSQZAI-UHFFFAOYSA-N 1 0 279.742 3.825 10 0 CHAERO C[C@@H](C[NH3+])COc1ccc2cc(Br)ccc2c1 ZINC000035726756 172380935 /nfs/dbraw/zinc/38/09/35/172380935.db2.gz XCNMIVSTIYVDEV-JTQLQIEISA-N 1 0 294.192 3.576 10 0 CHAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738443 172391361 /nfs/dbraw/zinc/39/13/61/172391361.db2.gz FDUJVSVJSRYWRR-OLZOCXBDSA-N 1 0 259.349 3.570 10 0 CHAERO C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000035762866 172402384 /nfs/dbraw/zinc/40/23/84/172402384.db2.gz TVWJPUMCNLDZCZ-JTQLQIEISA-N 1 0 272.211 3.596 10 0 CHAERO CCC[NH2+]Cc1ccccc1N(CC)C1CCCC1 ZINC000035773072 172408178 /nfs/dbraw/zinc/40/81/78/172408178.db2.gz UOBHUHOYPRVBOH-UHFFFAOYSA-N 1 0 260.425 3.955 10 0 CHAERO COc1cc(OC)cc(Oc2ccccc2[C@H](C)[NH3+])c1 ZINC000036205275 172516683 /nfs/dbraw/zinc/51/66/83/172516683.db2.gz NVPDGQVEFJKSSK-NSHDSACASA-N 1 0 273.332 3.516 10 0 CHAERO [NH3+]CCSCc1csc(-c2ccccc2Cl)n1 ZINC000037035593 172904048 /nfs/dbraw/zinc/90/40/48/172904048.db2.gz PCBWSTHEHPWOMI-UHFFFAOYSA-N 1 0 284.837 3.655 10 0 CHAERO OC1CCC([NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000037201962 173026249 /nfs/dbraw/zinc/02/62/49/173026249.db2.gz NDNYUGYLNQTBJF-ZBCRRDGASA-N 1 0 279.449 3.873 10 0 CHAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccc(C)c(F)c2)C1 ZINC000037210184 173031562 /nfs/dbraw/zinc/03/15/62/173031562.db2.gz LFFBGBKBYKODEP-KGLIPLIRSA-N 1 0 264.388 3.666 10 0 CHAERO C[C@H](Nc1cccc(Br)c1)[C@H]1CCC[N@H+](C)C1 ZINC000037209950 173031985 /nfs/dbraw/zinc/03/19/85/173031985.db2.gz XDSULGJCBDUNAP-RYUDHWBXSA-N 1 0 297.240 3.591 10 0 CHAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cccc(Cl)c2)C1 ZINC000037209849 173032042 /nfs/dbraw/zinc/03/20/42/173032042.db2.gz DWVOIAQCGBGDHQ-CHWSQXEVSA-N 1 0 266.816 3.872 10 0 CHAERO C[NH2+][C@@H](Cc1ccsc1)c1nc2ccccc2s1 ZINC000037239462 173055968 /nfs/dbraw/zinc/05/59/68/173055968.db2.gz GDDBBUVXVAOBRU-LBPRGKRZSA-N 1 0 274.414 3.861 10 0 CHAERO CCCc1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000037247609 173060436 /nfs/dbraw/zinc/06/04/36/173060436.db2.gz VZSWLZRLRBGXSC-UHFFFAOYSA-N 1 0 250.345 3.985 10 0 CHAERO CC(C)=CC[NH+]1CCC(Nc2cccnc2Cl)CC1 ZINC000037283688 173091369 /nfs/dbraw/zinc/09/13/69/173091369.db2.gz ZEWNVKBQONNSJS-UHFFFAOYSA-N 1 0 279.815 3.578 10 0 CHAERO CC(C)(C)c1nc2cc([C@@H]([NH3+])c3ccccc3)ccc2[nH]1 ZINC000037368453 173157165 /nfs/dbraw/zinc/15/71/65/173157165.db2.gz MLVBAQBUPAPISG-INIZCTEOSA-N 1 0 279.387 3.909 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@@H]([NH3+])CCSC ZINC000037438323 173208918 /nfs/dbraw/zinc/20/89/18/173208918.db2.gz GBRAUHBVJDHAKC-LBPRGKRZSA-N 1 0 277.437 3.508 10 0 CHAERO CCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440789 173210630 /nfs/dbraw/zinc/21/06/30/173210630.db2.gz FSWUZQYWMOTKFX-LLVKDONJSA-N 1 0 263.772 3.825 10 0 CHAERO CC[NH2+][C@@H](c1cccc(C)c1)c1ccccc1OC ZINC000037533008 173253927 /nfs/dbraw/zinc/25/39/27/173253927.db2.gz RPERUCTYTCUKRI-KRWDZBQOSA-N 1 0 255.361 3.703 10 0 CHAERO [NH3+][C@H](Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000037533846 173254641 /nfs/dbraw/zinc/25/46/41/173254641.db2.gz XHYOYCHUZZXPBE-CQSZACIVSA-N 1 0 294.167 3.831 10 0 CHAERO CC[C@@H](C)Oc1c(Cl)cc(C[C@H]([NH3+])CC)cc1OC ZINC000037723084 173641620 /nfs/dbraw/zinc/64/16/20/173641620.db2.gz AGYWNWVOONOCMD-ZYHUDNBSSA-N 1 0 285.815 3.806 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(F)c(C)c1 ZINC000037734744 173654051 /nfs/dbraw/zinc/65/40/51/173654051.db2.gz ARZPMJAGLIKKKU-INIZCTEOSA-N 1 0 261.315 3.776 10 0 CHAERO CCc1cccc(C)c1N[C@@H](C)C1CC[NH+](C)CC1 ZINC000037763911 173690489 /nfs/dbraw/zinc/69/04/89/173690489.db2.gz YBSZGTJYAGIXMG-AWEZNQCLSA-N 1 0 260.425 3.700 10 0 CHAERO CCCc1ccc([C@@H](N)C[N@@H+]2CCC[C@@H]2CC)cc1 ZINC000037913623 173847876 /nfs/dbraw/zinc/84/78/76/173847876.db2.gz XKRQWYCBFKXZQQ-IRXDYDNUSA-N 1 0 260.425 3.513 10 0 CHAERO CCC[NH2+][C@H](C)CCc1cc(F)ccc1Br ZINC000038001128 173963907 /nfs/dbraw/zinc/96/39/07/173963907.db2.gz NWVMXEISGYASAP-SNVBAGLBSA-N 1 0 288.204 3.909 10 0 CHAERO CC[C@H](Cc1cc(Br)ccc1F)[C@H](C)[NH2+]C ZINC000038004647 173966649 /nfs/dbraw/zinc/96/66/49/173966649.db2.gz ILKUUOXJKPWKMZ-VHSXEESVSA-N 1 0 288.204 3.765 10 0 CHAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cc(Cl)ccc1OC ZINC000038004725 173966779 /nfs/dbraw/zinc/96/67/79/173966779.db2.gz YCVLOWJNJNZAGU-VXGBXAGGSA-N 1 0 269.816 3.915 10 0 CHAERO Cc1cccc(C2CC([NH2+]C[C@@H](C)N3CCCCC3)C2)c1 ZINC000038028926 174018377 /nfs/dbraw/zinc/01/83/77/174018377.db2.gz SLGVUAKYWXHKEP-IPJUCJBFSA-N 1 0 286.463 3.705 10 0 CHAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000038030838 174023126 /nfs/dbraw/zinc/02/31/26/174023126.db2.gz MAFFRMVUCHLLLJ-HZPDHXFCSA-N 1 0 287.428 3.808 10 0 CHAERO CCn1c2cccc(F)c2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036844 174036971 /nfs/dbraw/zinc/03/69/71/174036971.db2.gz NNBYVATUAFLAKM-CQSZACIVSA-N 1 0 275.371 3.775 10 0 CHAERO CCCOc1cccc(C[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000038038345 174039258 /nfs/dbraw/zinc/03/92/58/174039258.db2.gz ZUYGLDWFAZZMFM-QGZVFWFLSA-N 1 0 292.467 3.541 10 0 CHAERO FC(F)(F)c1cc(Cl)ccc1NC1CC[NH2+]CC1 ZINC000038040539 174041438 /nfs/dbraw/zinc/04/14/38/174041438.db2.gz LYAAUOPOXOYOEX-UHFFFAOYSA-N 1 0 278.705 3.523 10 0 CHAERO c1ccc([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038045005 174053401 /nfs/dbraw/zinc/05/34/01/174053401.db2.gz IGYLLBGXLAXDON-CGTJXYLNSA-N 1 0 273.420 3.729 10 0 CHAERO CCC[NH2+]Cc1c(Cl)cccc1-n1cc(Cl)cn1 ZINC000038053870 174065394 /nfs/dbraw/zinc/06/53/94/174065394.db2.gz ZGSSLWGZAMNKMV-UHFFFAOYSA-N 1 0 284.190 3.679 10 0 CHAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1ccc2c(c1)CCCO2 ZINC000038057774 174068009 /nfs/dbraw/zinc/06/80/09/174068009.db2.gz GPWQDZCDUWMXLX-INIZCTEOSA-N 1 0 273.763 3.713 10 0 CHAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCO2)C1CCC1 ZINC000038058223 174068757 /nfs/dbraw/zinc/06/87/57/174068757.db2.gz LMCIYMUHZZMGKK-KRWDZBQOSA-N 1 0 259.393 3.852 10 0 CHAERO CCC[NH2+]Cc1cccc(-c2ccc(OC)cc2)c1 ZINC000038070951 174082052 /nfs/dbraw/zinc/08/20/52/174082052.db2.gz KXTRTZXQLARTDO-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO CC[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000038072945 174083214 /nfs/dbraw/zinc/08/32/14/174083214.db2.gz YXHPHHPGGIPORO-INIZCTEOSA-N 1 0 253.345 3.698 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(OC)cc2C)c1 ZINC000038072730 174083222 /nfs/dbraw/zinc/08/32/22/174083222.db2.gz MDCFXXXNAVTWBH-ZDUSSCGKSA-N 1 0 255.361 3.951 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1ccc(OC)cc1C ZINC000038072736 174083503 /nfs/dbraw/zinc/08/35/03/174083503.db2.gz HRFUUAWJXNITJG-UHFFFAOYSA-N 1 0 255.361 3.780 10 0 CHAERO C[NH2+]Cc1ccc(-c2ccc(OC)c(C)c2)cc1F ZINC000038073662 174083818 /nfs/dbraw/zinc/08/38/18/174083818.db2.gz MEPBMFLNWKKRRH-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1ccc(OC)c(C)c1 ZINC000038073652 174083933 /nfs/dbraw/zinc/08/39/33/174083933.db2.gz DGLVPHOWDGNTDV-UHFFFAOYSA-N 1 0 255.361 3.780 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(OC)c(C)c2)c1 ZINC000038073648 174084020 /nfs/dbraw/zinc/08/40/20/174084020.db2.gz SUQWAHUGSBVWDO-ZDUSSCGKSA-N 1 0 255.361 3.951 10 0 CHAERO C[C@H]([NH3+])c1cccc(-c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000038073536 174084122 /nfs/dbraw/zinc/08/41/22/174084122.db2.gz ULFCIOXFYJSVSM-NEPJUHHUSA-N 1 0 253.345 3.697 10 0 CHAERO Cc1cc(C)cc(C[C@@](C)([NH3+])c2ccc(F)cc2)c1 ZINC000038077119 174087537 /nfs/dbraw/zinc/08/75/37/174087537.db2.gz VFGUPIWLKDEHQG-QGZVFWFLSA-N 1 0 257.352 3.859 10 0 CHAERO Cc1cc(C)cc(C[C@@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000038077343 174087543 /nfs/dbraw/zinc/08/75/43/174087543.db2.gz NNMFCYXIIMEZIU-MRXNPFEDSA-N 1 0 261.315 3.824 10 0 CHAERO [NH3+][C@H]1CCCOc2c(Br)c3ccccc3cc21 ZINC000038077573 174088332 /nfs/dbraw/zinc/08/83/32/174088332.db2.gz XEHPHHPLKBMFES-LBPRGKRZSA-N 1 0 292.176 3.775 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCCO2)c(C)c1 ZINC000038095611 174109229 /nfs/dbraw/zinc/10/92/29/174109229.db2.gz VGCJUSDMNRQVJL-HOTGVXAUSA-N 1 0 261.409 3.832 10 0 CHAERO Clc1cccc(C2CC([NH2+]CC[C@@H]3CCCO3)C2)c1 ZINC000038096139 174110411 /nfs/dbraw/zinc/11/04/11/174110411.db2.gz KCCCOUKHYDUQAN-BCLQGDPASA-N 1 0 279.811 3.745 10 0 CHAERO Cc1ccc([C@H]([NH3+])Cc2ccc(Br)cc2)o1 ZINC000038128459 174131662 /nfs/dbraw/zinc/13/16/62/174131662.db2.gz NNZBVRNZINAUAB-GFCCVEGCSA-N 1 0 280.165 3.593 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(OC)c1)c1sccc1C ZINC000038134606 174132425 /nfs/dbraw/zinc/13/24/25/174132425.db2.gz JXZYHUOJNWSFQM-AWEZNQCLSA-N 1 0 261.390 3.568 10 0 CHAERO C[NH2+][C@H](Cc1ccc(Br)cc1)c1ccc(C)o1 ZINC000038132407 174132676 /nfs/dbraw/zinc/13/26/76/174132676.db2.gz QXTYTBFUACQLHZ-CYBMUJFWSA-N 1 0 294.192 3.854 10 0 CHAERO CCOCCCn1c2ccccc2nc1[C@@H]([NH3+])CC(C)C ZINC000040163874 174196807 /nfs/dbraw/zinc/19/68/07/174196807.db2.gz AXXOTCSIIXJKBR-AWEZNQCLSA-N 1 0 289.423 3.509 10 0 CHAERO C[C@@H]1CCC[C@@H](OC[C@H]([NH3+])c2cc(F)ccc2F)C1 ZINC000040177347 174202551 /nfs/dbraw/zinc/20/25/51/174202551.db2.gz HIGAIENNXPVYSK-HCKVZZMMSA-N 1 0 269.335 3.560 10 0 CHAERO COc1ccc(C(C)(C)C)cc1[C@@H](CC[NH3+])C1CC1 ZINC000041352354 174531304 /nfs/dbraw/zinc/53/13/04/174531304.db2.gz OWXFNAKDXDBGCK-AWEZNQCLSA-N 1 0 261.409 3.835 10 0 CHAERO C[NH2+]C[C@H](C)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041384187 174540991 /nfs/dbraw/zinc/54/09/91/174540991.db2.gz SMECBLSVNJGKPW-VIFPVBQESA-N 1 0 266.797 3.786 10 0 CHAERO Fc1ccc(OCCC[NH2+]C2CCCCC2)cc1F ZINC000041389802 174544185 /nfs/dbraw/zinc/54/41/85/174544185.db2.gz ABJFFFHGOFVIIF-UHFFFAOYSA-N 1 0 269.335 3.656 10 0 CHAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000042553178 174791319 /nfs/dbraw/zinc/79/13/19/174791319.db2.gz VXXAHJWFSMTLJW-NXEZZACHSA-N 1 0 269.772 3.593 10 0 CHAERO CC[C@@H](C)C[C@@](CC)(CN)[N@H+](CC1CC1)C(C)C ZINC000042579896 174804306 /nfs/dbraw/zinc/80/43/06/174804306.db2.gz RDLOJJITRKKEQD-ZBFHGGJFSA-N 1 0 254.462 3.651 10 0 CHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1Cl)c1ccccc1 ZINC000042903191 174906483 /nfs/dbraw/zinc/90/64/83/174906483.db2.gz IAAZZFCTVFTVAD-NHYWBVRUSA-N 1 0 261.752 3.807 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000042903210 174906901 /nfs/dbraw/zinc/90/69/01/174906901.db2.gz WQCMPMKEDCWKLA-IAQYHMDHSA-N 1 0 261.752 3.807 10 0 CHAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)Cc2ccsc2)cc1 ZINC000042908400 174909127 /nfs/dbraw/zinc/90/91/27/174909127.db2.gz BWWWYMWGBDWNMR-BBRMVZONSA-N 1 0 274.433 3.577 10 0 CHAERO C[C@H]([NH3+])[C@H](OC1CCC(C)CC1)c1ccc(F)cc1 ZINC000042916534 174916328 /nfs/dbraw/zinc/91/63/28/174916328.db2.gz KUKXQZYZAATYSO-ASNWCHJPSA-N 1 0 265.372 3.809 10 0 CHAERO CC(C)CCCO[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042916845 174916838 /nfs/dbraw/zinc/91/68/38/174916838.db2.gz OWDMASDQNAUAGG-SWLSCSKDSA-N 1 0 253.361 3.667 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)s1)c1ccc(C)cc1 ZINC000042943873 174919192 /nfs/dbraw/zinc/91/91/92/174919192.db2.gz COEBJKBOFMSNLK-CHWSQXEVSA-N 1 0 293.461 3.726 10 0 CHAERO Cc1csc(S[C@H](C[NH3+])c2ccc(Cl)cc2)n1 ZINC000042950508 174923646 /nfs/dbraw/zinc/92/36/46/174923646.db2.gz VIWUFZXZWKAXNO-LLVKDONJSA-N 1 0 284.837 3.897 10 0 CHAERO COc1ccc([C@H](Sc2nc(C)cs2)[C@@H](C)[NH3+])cc1 ZINC000042964731 174928333 /nfs/dbraw/zinc/92/83/33/174928333.db2.gz HXMMAXNYNPCRMN-ZWNOBZJWSA-N 1 0 294.445 3.641 10 0 CHAERO [NH3+]C[C@H](Oc1cccc(Cl)c1)c1cccc(F)c1 ZINC000042973584 174937396 /nfs/dbraw/zinc/93/73/96/174937396.db2.gz YZFPHADUOXRDTN-AWEZNQCLSA-N 1 0 265.715 3.558 10 0 CHAERO C[C@@H]([NH3+])[C@H](SCc1ccco1)c1cccc(F)c1 ZINC000042974600 174937961 /nfs/dbraw/zinc/93/79/61/174937961.db2.gz JENUISUYUKRXDA-YGRLFVJLSA-N 1 0 265.353 3.740 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)s1)c1cccc(F)c1 ZINC000042974763 174937984 /nfs/dbraw/zinc/93/79/84/174937984.db2.gz HSRNWRLBVXCFNR-RYUDHWBXSA-N 1 0 297.424 3.556 10 0 CHAERO [NH3+]C[C@H](Sc1ccc(F)cc1F)c1cccc(F)c1 ZINC000042974664 174938027 /nfs/dbraw/zinc/93/80/27/174938027.db2.gz QTWNWIIZTAFMIZ-AWEZNQCLSA-N 1 0 283.318 3.896 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](OCC1CC1)c1cccc(Br)c1 ZINC000043023379 174945481 /nfs/dbraw/zinc/94/54/81/174945481.db2.gz WZGAYNFOVPMHMI-KGLIPLIRSA-N 1 0 298.224 3.654 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](OC(C)(C)CC)c1cccc(OC)c1 ZINC000043030693 174948741 /nfs/dbraw/zinc/94/87/41/174948741.db2.gz GYLGNKOIYYNDPJ-CABCVRRESA-N 1 0 265.397 3.679 10 0 CHAERO CC[C@H]([NH3+])[C@H](OC1CCCCC1)c1ccccc1F ZINC000043046473 174957064 /nfs/dbraw/zinc/95/70/64/174957064.db2.gz LHUGKIBYANNHHW-JKSUJKDBSA-N 1 0 265.372 3.953 10 0 CHAERO CC(C)C[C@@H](C)O[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043047730 174957471 /nfs/dbraw/zinc/95/74/71/174957471.db2.gz RIEITLKSLLSQDT-JMSVASOKSA-N 1 0 253.361 3.665 10 0 CHAERO Cc1cccc(S[C@@H](C[NH3+])c2ccccc2F)c1 ZINC000043050305 174958546 /nfs/dbraw/zinc/95/85/46/174958546.db2.gz RYDZENTYJVWGGH-HNNXBMFYSA-N 1 0 261.365 3.926 10 0 CHAERO C[C@H]([NH3+])[C@H](OCc1ccccc1)c1ccccc1Cl ZINC000043053468 174960985 /nfs/dbraw/zinc/96/09/85/174960985.db2.gz VMZCGLSWCPXQDD-LRDDRELGSA-N 1 0 275.779 3.945 10 0 CHAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Cl)cc1)c1cccs1 ZINC000043108281 174973662 /nfs/dbraw/zinc/97/36/62/174973662.db2.gz JPTNQHLWXTXJBL-RNCFNFMXSA-N 1 0 267.781 3.869 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000043392455 175034243 /nfs/dbraw/zinc/03/42/43/175034243.db2.gz JYTVKSQBQRCXCH-CYBMUJFWSA-N 1 0 271.307 3.864 10 0 CHAERO Nc1cc[nH+]c(Nc2ccc(Cl)cc2Cl)c1 ZINC000043568561 175067498 /nfs/dbraw/zinc/06/74/98/175067498.db2.gz UXTOGYSEZVOCQN-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO [NH3+][C@H]1CCCCC[C@@H]1Cc1ccc(Br)s1 ZINC000043650485 175085348 /nfs/dbraw/zinc/08/53/48/175085348.db2.gz PUMQXAVZCFOUDD-KOLCDFICSA-N 1 0 288.254 3.961 10 0 CHAERO C[NH2+][C@@H]1CCCCC[C@@H]1CCCOCC(F)(F)F ZINC000043650723 175085596 /nfs/dbraw/zinc/08/55/96/175085596.db2.gz DVDMKRZPIWKSEP-VXGBXAGGSA-N 1 0 267.335 3.514 10 0 CHAERO [NH3+]Cc1cccc(OCc2cc(Br)cs2)c1 ZINC000043686719 175094344 /nfs/dbraw/zinc/09/43/44/175094344.db2.gz PCFXOJYOCHAHNC-UHFFFAOYSA-N 1 0 298.205 3.548 10 0 CHAERO CC[NH2+][C@H]1CCC[C@H]1Cc1cc(Br)cs1 ZINC000043688108 175095871 /nfs/dbraw/zinc/09/58/71/175095871.db2.gz OTXXTEPSFLWVTF-CABZTGNLSA-N 1 0 288.254 3.831 10 0 CHAERO Cc1cc(C)c([C@@H](O)C[NH+]2CCCCCC2)c(C)c1 ZINC000044118065 175142090 /nfs/dbraw/zinc/14/20/90/175142090.db2.gz XZSZATGWKXJHTI-INIZCTEOSA-N 1 0 261.409 3.521 10 0 CHAERO Cc1cc(C)c([C@H](O)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000044120616 175142689 /nfs/dbraw/zinc/14/26/89/175142689.db2.gz LRMCVFKCNXZPBO-QGZVFWFLSA-N 1 0 275.436 3.910 10 0 CHAERO CCc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000044128951 175144833 /nfs/dbraw/zinc/14/48/33/175144833.db2.gz PGTDJGBKEJASHB-IRXDYDNUSA-N 1 0 261.409 3.547 10 0 CHAERO CCOc1ccccc1[C@H](O)C[NH+](CC(C)C)CC(C)C ZINC000044162999 175148073 /nfs/dbraw/zinc/14/80/73/175148073.db2.gz HRHDUQGVXNVSDL-QGZVFWFLSA-N 1 0 293.451 3.733 10 0 CHAERO CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1CCOCC ZINC000044469419 175177697 /nfs/dbraw/zinc/17/76/97/175177697.db2.gz APZRJUKSSOGCKK-SOUVJXGZSA-N 1 0 255.446 3.854 10 0 CHAERO [NH3+][C@@H](CCOc1ccccc1)c1cccc(Cl)c1 ZINC000044568678 175209117 /nfs/dbraw/zinc/20/91/17/175209117.db2.gz UZUBRPMSSBXERW-HNNXBMFYSA-N 1 0 261.752 3.809 10 0 CHAERO C[C@H](c1cccc(-c2ccccc2C(N)=O)c1)[NH+]1CCCC1 ZINC000065405815 175731497 /nfs/dbraw/zinc/73/14/97/175731497.db2.gz GCKOOXVSCIRDLC-CQSZACIVSA-N 1 0 294.398 3.609 10 0 CHAERO CC(C)[NH2+]CCCCc1ccc(Br)s1 ZINC000070743521 176004387 /nfs/dbraw/zinc/00/43/87/176004387.db2.gz BKWQOBBTIWBSSB-UHFFFAOYSA-N 1 0 276.243 3.831 10 0 CHAERO Fc1ccc(F)c(OCC[NH2+]C2CCCCCC2)c1 ZINC000071169013 176050045 /nfs/dbraw/zinc/05/00/45/176050045.db2.gz UIOWBZYUYBZLAH-UHFFFAOYSA-N 1 0 269.335 3.656 10 0 CHAERO C[C@@H]1CCC[C@H]1NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000071208731 176081200 /nfs/dbraw/zinc/08/12/00/176081200.db2.gz LNFXMHZRGLMFJT-MRVWCRGKSA-N 1 0 260.406 3.609 10 0 CHAERO CC[NH2+]Cc1oc2ccc(Br)cc2c1C ZINC000071453112 176176862 /nfs/dbraw/zinc/17/68/62/176176862.db2.gz KFKMEHSXSRWHMD-UHFFFAOYSA-N 1 0 268.154 3.613 10 0 CHAERO CCOc1ccc([C@@H](CC[NH3+])C2CC2)cc1Cl ZINC000071575237 176202410 /nfs/dbraw/zinc/20/24/10/176202410.db2.gz LRARDAGZZOKFAI-LBPRGKRZSA-N 1 0 253.773 3.581 10 0 CHAERO C[NH2+]Cc1ncc(-c2c(C)c(C)cc(C)c2C)s1 ZINC000071586937 176213919 /nfs/dbraw/zinc/21/39/19/176213919.db2.gz NSLNMSIFFZFUAO-UHFFFAOYSA-N 1 0 260.406 3.763 10 0 CHAERO CC(C)COc1ccc([C@@H](C[NH3+])C2CCCC2)cc1 ZINC000071588017 176215609 /nfs/dbraw/zinc/21/56/09/176215609.db2.gz ZZHFILYEKMZMTN-KRWDZBQOSA-N 1 0 261.409 3.954 10 0 CHAERO Brc1ccccc1CC[C@@H]1CCCC[NH2+]1 ZINC000071599587 176224814 /nfs/dbraw/zinc/22/48/14/176224814.db2.gz UJRAJRZOJUXKPD-LBPRGKRZSA-N 1 0 268.198 3.524 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2c1ccc(C)cc1 ZINC000071630430 176235988 /nfs/dbraw/zinc/23/59/88/176235988.db2.gz WFEMBNWCFDLLET-GOSISDBHSA-N 1 0 279.383 3.728 10 0 CHAERO C[C@@](O)(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000071631850 176236711 /nfs/dbraw/zinc/23/67/11/176236711.db2.gz VIAWOZKCIGQCEN-RTBURBONSA-N 1 0 281.399 3.561 10 0 CHAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@@H]2c1cccnc1 ZINC000071650237 176240343 /nfs/dbraw/zinc/24/03/43/176240343.db2.gz KRBNFVMZSLOYGR-GOSISDBHSA-N 1 0 294.398 3.595 10 0 CHAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@H]2c1cccnc1 ZINC000071650238 176240650 /nfs/dbraw/zinc/24/06/50/176240650.db2.gz KRBNFVMZSLOYGR-SFHVURJKSA-N 1 0 294.398 3.595 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc(Cl)cc2F)cc1 ZINC000075914786 176829413 /nfs/dbraw/zinc/82/94/13/176829413.db2.gz JFLNHSFHXQJKQM-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO COc1ccc(Cl)cc1C1(C[NH3+])CCC(C)CC1 ZINC000076397529 177015149 /nfs/dbraw/zinc/01/51/49/177015149.db2.gz MDKZGAXTPZBTQQ-UHFFFAOYSA-N 1 0 267.800 3.755 10 0 CHAERO [NH3+]CC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000076654938 177044870 /nfs/dbraw/zinc/04/48/70/177044870.db2.gz DNXPQFKRKNDWFP-AWEZNQCLSA-N 1 0 250.345 3.649 10 0 CHAERO CCCCN(CC[NH3+])c1cccc(Cl)c1Cl ZINC000076671793 177054061 /nfs/dbraw/zinc/05/40/61/177054061.db2.gz OVBZSNBOMUPERY-UHFFFAOYSA-N 1 0 261.196 3.559 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccccc1Cl)c1cccnc1 ZINC000076722125 177069739 /nfs/dbraw/zinc/06/97/39/177069739.db2.gz IPZHVFRQRKBUFJ-CYBMUJFWSA-N 1 0 274.795 3.800 10 0 CHAERO [NH3+]C[C@H](CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000076726030 177070982 /nfs/dbraw/zinc/07/09/82/177070982.db2.gz RYDWZVCSARGXGK-AWEZNQCLSA-N 1 0 275.779 3.851 10 0 CHAERO CC[NH2+][C@H](C)c1csc(-c2ccc(OCC)cc2)n1 ZINC000076732294 177073583 /nfs/dbraw/zinc/07/35/83/177073583.db2.gz HXZLHDSSEBUXPU-LLVKDONJSA-N 1 0 276.405 3.879 10 0 CHAERO CC[NH2+][C@H](C)c1csc(-c2cccc(OCC)c2)n1 ZINC000076784595 177091961 /nfs/dbraw/zinc/09/19/61/177091961.db2.gz VRMHDOIOCFDEHW-LLVKDONJSA-N 1 0 276.405 3.879 10 0 CHAERO CCC[NH2+][C@@H](C)c1csc(-c2cccc(OC)c2)n1 ZINC000076784316 177091968 /nfs/dbraw/zinc/09/19/68/177091968.db2.gz TYALVFJGHHHAPX-NSHDSACASA-N 1 0 276.405 3.879 10 0 CHAERO CC[NH2+][C@@H](C)c1csc(-c2cccc(F)c2)n1 ZINC000076784539 177092005 /nfs/dbraw/zinc/09/20/05/177092005.db2.gz MDNAHEVHMBQLBS-VIFPVBQESA-N 1 0 250.342 3.620 10 0 CHAERO COc1ccc([C@H]([NH3+])c2c(C)oc(C)c2C)cc1C ZINC000077088676 177212029 /nfs/dbraw/zinc/21/20/29/177212029.db2.gz WZRAFHOACRBEPG-INIZCTEOSA-N 1 0 259.349 3.570 10 0 CHAERO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000309331310 260153849 /nfs/dbraw/zinc/15/38/49/260153849.db2.gz HXGBHGQYTBLJBN-UWVGGRQHSA-N 1 0 261.818 3.866 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)C1 ZINC000078005397 260167886 /nfs/dbraw/zinc/16/78/86/260167886.db2.gz OHFBAEFTXBLBBG-HUUCEWRRSA-N 1 0 271.408 3.513 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)C1 ZINC000078005406 260167954 /nfs/dbraw/zinc/16/79/54/260167954.db2.gz LWLQEMWUHLCTNK-HUUCEWRRSA-N 1 0 271.408 3.595 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C)o1)CC2 ZINC000092835874 260272691 /nfs/dbraw/zinc/27/26/91/260272691.db2.gz ASKUFKVGRXTRFO-MLGOLLRUSA-N 1 0 271.360 3.935 10 0 CHAERO CCc1oc2ccccc2c1C[NH2+][C@H]1CCCN(CC)C1 ZINC000040502730 260286068 /nfs/dbraw/zinc/28/60/68/260286068.db2.gz CGHLKQXRNVMNQF-AWEZNQCLSA-N 1 0 286.419 3.569 10 0 CHAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000085220686 260372346 /nfs/dbraw/zinc/37/23/46/260372346.db2.gz BGWBTRBPYKYGGD-CPCISQLKSA-N 1 0 274.589 3.601 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000090714317 260387935 /nfs/dbraw/zinc/38/79/35/260387935.db2.gz LNGWFXXEDTXYHS-RHSMWYFYSA-N 1 0 268.404 3.946 10 0 CHAERO CC1(C)C[C@@H]([NH2+][C@H]2CCCSC2)c2ccccc2O1 ZINC000132461384 260499543 /nfs/dbraw/zinc/49/95/43/260499543.db2.gz VZJQYBJIRYRYOL-GXTWGEPZSA-N 1 0 277.433 3.774 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCc1ccccc1C ZINC000175911850 261252529 /nfs/dbraw/zinc/25/25/29/261252529.db2.gz DWXNZDLDWATYDZ-LJQANCHMSA-N 1 0 297.446 3.597 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000176539625 261295121 /nfs/dbraw/zinc/29/51/21/261295121.db2.gz IUWIHZMKTREOOD-LJQANCHMSA-N 1 0 291.398 3.571 10 0 CHAERO CC1(C)Cc2cc(C[NH2+][C@@H]3COc4ccccc43)ccc2O1 ZINC000105468059 261359655 /nfs/dbraw/zinc/35/96/55/261359655.db2.gz WDCOECVLLRZTID-MRXNPFEDSA-N 1 0 295.382 3.623 10 0 CHAERO CC1(C)CC[C@@H]([NH2+]CC2CCOCC2)c2ccccc21 ZINC000107064219 261375741 /nfs/dbraw/zinc/37/57/41/261375741.db2.gz RLLOMHUMYPFJCC-QGZVFWFLSA-N 1 0 273.420 3.815 10 0 CHAERO CC[NH2+]Cc1ccccc1NC(=O)C[C@@H](C)C(C)(C)C ZINC000111652898 261533213 /nfs/dbraw/zinc/53/32/13/261533213.db2.gz QGGAJHRZQCOHNM-CYBMUJFWSA-N 1 0 276.424 3.807 10 0 CHAERO COC1CCC([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000183159411 261965113 /nfs/dbraw/zinc/96/51/13/261965113.db2.gz WSDZZGJYBZSKAF-XUJLQICISA-N 1 0 289.419 3.836 10 0 CHAERO Oc1cccc2c1CC[C@H]2[NH2+]CCCOCc1ccccc1 ZINC000390052106 262092084 /nfs/dbraw/zinc/09/20/84/262092084.db2.gz JGRMYZDNRXTUJU-GOSISDBHSA-N 1 0 297.398 3.576 10 0 CHAERO CC(C)OCCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000228564082 262342862 /nfs/dbraw/zinc/34/28/62/262342862.db2.gz OUYVSFJYJASEFU-HUUCEWRRSA-N 1 0 255.446 3.996 10 0 CHAERO C[C@@H]([C@H](C)NC(=O)CCCCCC[NH3+])C1CCCCC1 ZINC000161586543 264289670 /nfs/dbraw/zinc/28/96/70/264289670.db2.gz RIDBKWMNKDYMHK-GJZGRUSLSA-N 1 0 282.472 3.617 10 0 CHAERO CC(C)Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000094895989 265270942 /nfs/dbraw/zinc/27/09/42/265270942.db2.gz AVEOCEIJLGRGGL-RHSMWYFYSA-N 1 0 261.409 3.542 10 0 CHAERO CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2cccs2)CC1 ZINC000168408991 266665491 /nfs/dbraw/zinc/66/54/91/266665491.db2.gz ZJZWFMVJVBUIJZ-STQMWFEESA-N 1 0 266.454 3.741 10 0 CHAERO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccco3)cc2)c1 ZINC000116289749 267136579 /nfs/dbraw/zinc/13/65/79/267136579.db2.gz CQQGRBAXFAUZQO-QGZVFWFLSA-N 1 0 293.370 3.802 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Cl)ccc1Cl ZINC000375608072 327710870 /nfs/dbraw/zinc/71/08/70/327710870.db2.gz WPKPXBMVHMPUQO-STRQVWJDSA-N 1 0 286.202 3.536 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000388067515 327832930 /nfs/dbraw/zinc/83/29/30/327832930.db2.gz KMBQDZAZACBHNB-HYVNUMGLSA-N 1 0 267.457 3.854 10 0 CHAERO COc1ccc([C@H]([NH2+][C@@H]2C[C@@H]2C)c2ccccc2)cc1 ZINC000216423299 327990212 /nfs/dbraw/zinc/99/02/12/327990212.db2.gz NJRUKFLQLJEMRZ-MORSLUCNSA-N 1 0 267.372 3.783 10 0 CHAERO C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000040593067 328013728 /nfs/dbraw/zinc/01/37/28/328013728.db2.gz JOOQYDVCIVPLTJ-HZPDHXFCSA-N 1 0 288.479 3.977 10 0 CHAERO CC[C@H](C)Oc1cccc(N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000571275613 328097338 /nfs/dbraw/zinc/09/73/38/328097338.db2.gz RSNLRNSAOKOUHM-ZNMIVQPWSA-N 1 0 276.424 3.664 10 0 CHAERO COCCC[C@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000179561767 329209825 /nfs/dbraw/zinc/20/98/25/329209825.db2.gz YPWRPBWPVLCPAU-LRDDRELGSA-N 1 0 265.372 3.608 10 0 CHAERO CC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000296623027 328291405 /nfs/dbraw/zinc/29/14/05/328291405.db2.gz ZIZPPDULMZFNJY-HUBLWGQQSA-N 1 0 267.438 3.992 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)C(C)C ZINC000049126814 328341294 /nfs/dbraw/zinc/34/12/94/328341294.db2.gz ABBZFGCAGPNIBH-UKRRQHHQSA-N 1 0 277.408 3.933 10 0 CHAERO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1ccnc2ccccc12 ZINC000111763486 328377276 /nfs/dbraw/zinc/37/72/76/328377276.db2.gz GHRIYECJRNAVPC-KRWDZBQOSA-N 1 0 278.355 3.995 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCOC(F)F ZINC000398117103 326871648 /nfs/dbraw/zinc/87/16/48/326871648.db2.gz AQCNXGNUTNVXJV-NWDGAFQWSA-N 1 0 263.372 3.810 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312594938 326924538 /nfs/dbraw/zinc/92/45/38/326924538.db2.gz CZRDUGKRTFYMKF-PSASIEDQSA-N 1 0 294.247 3.696 10 0 CHAERO Cc1c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cnn1C ZINC000093649750 327132970 /nfs/dbraw/zinc/13/29/70/327132970.db2.gz AHYIBAAXECMRJN-SNVBAGLBSA-N 1 0 297.324 3.598 10 0 CHAERO Cc1cc(Cl)cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000559303951 327157383 /nfs/dbraw/zinc/15/73/83/327157383.db2.gz NBTXHTVNECSXSP-CHWSQXEVSA-N 1 0 281.827 3.942 10 0 CHAERO CC(C)COc1cccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000560966736 327355147 /nfs/dbraw/zinc/35/51/47/327355147.db2.gz PNTYBKBMYAEGOR-LSDHHAIUSA-N 1 0 276.424 3.521 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000126896225 327568497 /nfs/dbraw/zinc/56/84/97/327568497.db2.gz UWAGRUXSUKPGNX-HFKOZYHYSA-N 1 0 284.172 3.574 10 0 CHAERO C[C@H]1C[C@@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000052273279 328642048 /nfs/dbraw/zinc/64/20/48/328642048.db2.gz PIWNBEHMUNHVKO-IHDSQDGZSA-N 1 0 280.209 3.693 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1Br ZINC000052271012 328642084 /nfs/dbraw/zinc/64/20/84/328642084.db2.gz GCPKALYVMJIRID-VDDIYKPWSA-N 1 0 254.171 3.508 10 0 CHAERO C[C@H](CO)CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000300415872 332814843 /nfs/dbraw/zinc/81/48/43/332814843.db2.gz ZZWWLJNGNWRKRE-ZNMIVQPWSA-N 1 0 255.446 3.590 10 0 CHAERO Cc1cccc2c(NC[C@@H]3CCC[C@H](O)C3)cc[nH+]c12 ZINC000301684998 328829665 /nfs/dbraw/zinc/82/96/65/328829665.db2.gz UDIYPDMHUVMOEG-KGLIPLIRSA-N 1 0 270.376 3.506 10 0 CHAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)ccn1 ZINC000391177284 328977760 /nfs/dbraw/zinc/97/77/60/328977760.db2.gz GYQTUSVXGKXRCF-QWHCGFSZSA-N 1 0 272.314 3.601 10 0 CHAERO Cc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1Cl ZINC000193735921 329061604 /nfs/dbraw/zinc/06/16/04/329061604.db2.gz LGVIJEZKTGSZIX-OAHLLOKOSA-N 1 0 273.763 3.872 10 0 CHAERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cccc(F)c1 ZINC000173817977 329152544 /nfs/dbraw/zinc/15/25/44/329152544.db2.gz HQYGDVBYNALBCY-LRDDRELGSA-N 1 0 298.361 3.602 10 0 CHAERO COCCC[C@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000179561750 329209781 /nfs/dbraw/zinc/20/97/81/329209781.db2.gz YPWRPBWPVLCPAU-BLLLJJGKSA-N 1 0 265.372 3.608 10 0 CHAERO Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCN(C)c3ccccc32)c1 ZINC000184439809 329257934 /nfs/dbraw/zinc/25/79/34/329257934.db2.gz WCRHMSXXYZZKBO-HZPDHXFCSA-N 1 0 295.430 3.664 10 0 CHAERO CC(C)C[C@H](C)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186058131 329336776 /nfs/dbraw/zinc/33/67/76/329336776.db2.gz HYHSBDBWFZRDHI-AWEZNQCLSA-N 1 0 269.392 3.668 10 0 CHAERO C[C@@H](CN1CCC[N@@H+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000187085657 329353847 /nfs/dbraw/zinc/35/38/47/329353847.db2.gz QJQJUPRSPSWKND-AWEZNQCLSA-N 1 0 292.854 3.614 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000188949115 329375835 /nfs/dbraw/zinc/37/58/35/329375835.db2.gz VPGJMBXKOQGSAO-INIZCTEOSA-N 1 0 299.418 3.560 10 0 CHAERO CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000193301424 329439668 /nfs/dbraw/zinc/43/96/68/329439668.db2.gz VDCGJOMNNGORRV-GOEBONIOSA-N 1 0 290.455 3.784 10 0 CHAERO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000125993801 329588950 /nfs/dbraw/zinc/58/89/50/329588950.db2.gz RKWFJELJCATWQY-UONOGXRCSA-N 1 0 290.451 3.773 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1OC ZINC000247143513 329876649 /nfs/dbraw/zinc/87/66/49/329876649.db2.gz QZPQHYPUEONLQI-CUSZFKRNSA-N 1 0 289.419 3.694 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(F)c1F ZINC000248735402 329898124 /nfs/dbraw/zinc/89/81/24/329898124.db2.gz PONYPPKCIKAPLE-XOPPTJLZSA-N 1 0 293.357 3.573 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1F ZINC000248734910 329898221 /nfs/dbraw/zinc/89/82/21/329898221.db2.gz DNHNPMGKSGZKRT-YNZJMPHRSA-N 1 0 281.346 3.573 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1C ZINC000248807729 329899585 /nfs/dbraw/zinc/89/95/85/329899585.db2.gz KFJBIBBEWFQILQ-YXJHDRRASA-N 1 0 273.420 3.912 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](C3CC3)C1)CCC2 ZINC000248839640 329900378 /nfs/dbraw/zinc/90/03/78/329900378.db2.gz NNPHLLDBIMPVBN-BHIYHBOVSA-N 1 0 285.431 3.920 10 0 CHAERO c1ccc(C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C2CC2)cc1 ZINC000248878414 329901465 /nfs/dbraw/zinc/90/14/65/329901465.db2.gz RKBCTMWMFNCPRZ-CEXWTWQISA-N 1 0 285.431 3.555 10 0 CHAERO C[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@H]1C[NH3+] ZINC000252214080 329939321 /nfs/dbraw/zinc/93/93/21/329939321.db2.gz XEOSYBMGWOUWJF-YGRLFVJLSA-N 1 0 287.234 3.553 10 0 CHAERO C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1ccoc1 ZINC000379615835 330141950 /nfs/dbraw/zinc/14/19/50/330141950.db2.gz BGCGPCNCNJUMBA-VQIMIIECSA-N 1 0 298.430 3.985 10 0 CHAERO CC[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000396715218 330224311 /nfs/dbraw/zinc/22/43/11/330224311.db2.gz RBOHUFNVNFINDO-CQDKDKBSSA-N 1 0 266.816 3.521 10 0 CHAERO CCn1cccc1C[NH2+]Cc1ccc(Br)s1 ZINC000085609004 330366258 /nfs/dbraw/zinc/36/62/58/330366258.db2.gz VRLBYJJCPBJXEF-UHFFFAOYSA-N 1 0 299.237 3.622 10 0 CHAERO OCCC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000087765527 330374241 /nfs/dbraw/zinc/37/42/41/330374241.db2.gz BRQZTGQGCKQSBM-CYBMUJFWSA-N 1 0 288.218 3.730 10 0 CHAERO CC[C@@H](C)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000119652408 330378202 /nfs/dbraw/zinc/37/82/02/330378202.db2.gz UNAYREVXZWTENK-OLZOCXBDSA-N 1 0 296.480 3.860 10 0 CHAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000090037120 330390065 /nfs/dbraw/zinc/39/00/65/330390065.db2.gz DFFWCCJZJUUEOG-QWHCGFSZSA-N 1 0 271.408 3.895 10 0 CHAERO CCn1cccc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000091127685 330398828 /nfs/dbraw/zinc/39/88/28/330398828.db2.gz GPPAFHALALZZQS-UHFFFAOYSA-N 1 0 266.747 3.590 10 0 CHAERO Cc1csc(C2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000092787480 330413574 /nfs/dbraw/zinc/41/35/74/330413574.db2.gz OCHLCYBCRXOBDR-UHFFFAOYSA-N 1 0 288.416 3.537 10 0 CHAERO COc1ccc(Br)c(C[NH2+][C@@H](C)C(C)C)c1 ZINC000083702914 330482245 /nfs/dbraw/zinc/48/22/45/330482245.db2.gz SJBUOUXNJNELDT-JTQLQIEISA-N 1 0 286.213 3.592 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000149770059 330577874 /nfs/dbraw/zinc/57/78/74/330577874.db2.gz PWHSRTBVZSDXFN-HQJQHLMTSA-N 1 0 274.589 3.601 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C[C@H](C)O1 ZINC000453204343 331101086 /nfs/dbraw/zinc/10/10/86/331101086.db2.gz BJLWUASZJIUHOP-LOUJCGABSA-N 1 0 265.441 3.748 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1C ZINC000164896068 331305386 /nfs/dbraw/zinc/30/53/86/331305386.db2.gz OCMIGGROQMUDMA-SMDDNHRTSA-N 1 0 263.429 3.749 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1Cl ZINC000165235132 331306034 /nfs/dbraw/zinc/30/60/34/331306034.db2.gz DYVRCBXLOSCYCW-BIMULSAOSA-N 1 0 288.218 3.948 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(CC)CCC2)c1C ZINC000165329001 331306193 /nfs/dbraw/zinc/30/61/93/331306193.db2.gz OXUUWLJTLJCSJT-GFCCVEGCSA-N 1 0 263.429 3.751 10 0 CHAERO CC[C@@H](O)CC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000166130716 331306624 /nfs/dbraw/zinc/30/66/24/331306624.db2.gz JPCCSPIFYSUVLV-MJGOQNOKSA-N 1 0 283.415 3.835 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]C2CCC(C)(C)CC2)C[C@H](C)O1 ZINC000466423449 331396440 /nfs/dbraw/zinc/39/64/40/331396440.db2.gz DGMGZAMLQWJJAY-BTTYYORXSA-N 1 0 253.430 3.748 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000467434594 331419045 /nfs/dbraw/zinc/41/90/45/331419045.db2.gz VSIHIOCDZVQUAW-QKPAOTATSA-N 1 0 261.409 3.849 10 0 CHAERO CC[C@H](COC)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000248176632 334296615 /nfs/dbraw/zinc/29/66/15/334296615.db2.gz VRDVAEHOXMZPOE-RWMBFGLXSA-N 1 0 292.448 3.803 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@H](C)COCc2ccccc2)cc1 ZINC000178066035 333067443 /nfs/dbraw/zinc/06/74/43/333067443.db2.gz SEIFOEIVUDXLCY-HZPDHXFCSA-N 1 0 299.414 3.951 10 0 CHAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000219827882 333157708 /nfs/dbraw/zinc/15/77/08/333157708.db2.gz KKZAWABCMAYZEL-BZUAXINKSA-N 1 0 279.811 3.684 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(F)cc1Cl)CC2 ZINC000220404529 333166106 /nfs/dbraw/zinc/16/61/06/333166106.db2.gz LSOVSZIYCKDTNR-BBRMVZONSA-N 1 0 297.801 3.606 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]C2CC(c3ccccc3F)C2)o1 ZINC000220938499 333171097 /nfs/dbraw/zinc/17/10/97/333171097.db2.gz BLIQZYFXDNCUCR-HIFPTAJRSA-N 1 0 274.339 3.719 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000222161163 333176378 /nfs/dbraw/zinc/17/63/78/333176378.db2.gz VYQJTAIXKAJHSN-SNPRPXQTSA-N 1 0 277.408 3.933 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(Cl)c1Cl ZINC000222693392 333198713 /nfs/dbraw/zinc/19/87/13/333198713.db2.gz JAMFZWRALFQZTC-MNOVXSKESA-N 1 0 287.234 3.738 10 0 CHAERO CCC1(CC)CCC[N@H+](Cc2nnc(C(C)C)n2C)CC1 ZINC000190414262 333206581 /nfs/dbraw/zinc/20/65/81/333206581.db2.gz YTMDECXDWZWMMQ-UHFFFAOYSA-N 1 0 292.471 3.731 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(C)cc1 ZINC000223848972 333212557 /nfs/dbraw/zinc/21/25/57/333212557.db2.gz CRJOPHICWXLKTM-IKGGRYGDSA-N 1 0 261.409 3.587 10 0 CHAERO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C(C)C)n1C ZINC000191878291 333226678 /nfs/dbraw/zinc/22/66/78/333226678.db2.gz BATVMKIJBNNTQH-CABCVRRESA-N 1 0 292.471 3.633 10 0 CHAERO C[C@H](c1ccc2ccccc2c1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000225151075 333232020 /nfs/dbraw/zinc/23/20/20/333232020.db2.gz KCBBOTNGTFPNGT-QLFBSQMISA-N 1 0 268.404 3.583 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000226584106 333265602 /nfs/dbraw/zinc/26/56/02/333265602.db2.gz GQORSZHJVBDZLI-TUAOUCFPSA-N 1 0 285.334 3.506 10 0 CHAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000250023704 333301503 /nfs/dbraw/zinc/30/15/03/333301503.db2.gz NEBXGQPOZKYSML-DDTOSNHZSA-N 1 0 297.851 3.628 10 0 CHAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000250228593 333303567 /nfs/dbraw/zinc/30/35/67/333303567.db2.gz FUXJYNSWTXNADB-NVXWUHKLSA-N 1 0 290.451 3.609 10 0 CHAERO Cc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1C ZINC000229397652 333304561 /nfs/dbraw/zinc/30/45/61/333304561.db2.gz YVDJPYRISFHYKN-UHFFFAOYSA-N 1 0 274.408 3.541 10 0 CHAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000230045671 333312551 /nfs/dbraw/zinc/31/25/51/333312551.db2.gz FNWJDQXTFDMRIB-JRPNMDOOSA-N 1 0 299.245 3.553 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C2)c1C ZINC000230405522 333317519 /nfs/dbraw/zinc/31/75/19/333317519.db2.gz CXVNLWLGFHTRCE-XUJVJEKNSA-N 1 0 263.429 3.607 10 0 CHAERO CCC[C@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000037070946 333472047 /nfs/dbraw/zinc/47/20/47/333472047.db2.gz GIYFZOBKLHFTPD-STQMWFEESA-N 1 0 265.397 3.791 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000037167088 333507017 /nfs/dbraw/zinc/50/70/17/333507017.db2.gz SCMCEIPEPDNOJJ-RDJZCZTQSA-N 1 0 262.441 3.622 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037321508 333531989 /nfs/dbraw/zinc/53/19/89/333531989.db2.gz LJEAUFITPCSQDU-QGZVFWFLSA-N 1 0 292.467 3.540 10 0 CHAERO CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037619736 333535286 /nfs/dbraw/zinc/53/52/86/333535286.db2.gz UDXJYPNQBMVGEE-BBRMVZONSA-N 1 0 290.451 3.679 10 0 CHAERO COC1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000129922772 333799751 /nfs/dbraw/zinc/79/97/51/333799751.db2.gz VMRFWTFAVGJNBR-BFHKSVSOSA-N 1 0 267.457 3.994 10 0 CHAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1COc2ccccc21 ZINC000070196858 333801040 /nfs/dbraw/zinc/80/10/40/333801040.db2.gz NADOXNPQTXKPIO-PBHICJAKSA-N 1 0 267.372 3.731 10 0 CHAERO C[C@@H]([NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)c1cnccn1 ZINC000070477154 333813030 /nfs/dbraw/zinc/81/30/30/333813030.db2.gz QLMODFYCIMBSQP-DAZFMJRUSA-N 1 0 285.435 3.732 10 0 CHAERO Cc1ccc(C2CC([NH2+][C@H]3COc4ccccc43)C2)cc1 ZINC000070529422 333814952 /nfs/dbraw/zinc/81/49/52/333814952.db2.gz RWOMPDIIXNJYLX-HTWSVDAQSA-N 1 0 279.383 3.964 10 0 CHAERO COc1ccccc1C[C@@H]([NH2+]CCCCSC)C(C)C ZINC000133721078 334051266 /nfs/dbraw/zinc/05/12/66/334051266.db2.gz KWBXHYYERFZKJO-MRXNPFEDSA-N 1 0 295.492 3.995 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)C1 ZINC000080428558 334171318 /nfs/dbraw/zinc/17/13/18/334171318.db2.gz YTPRATPLXXRGFP-RDBSUJKOSA-N 1 0 266.454 3.519 10 0 CHAERO C[C@@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)[C@H]1CCCO1 ZINC000245891328 334223163 /nfs/dbraw/zinc/22/31/63/334223163.db2.gz JPLQJAPLUSGKCJ-LALPHHSUSA-N 1 0 267.800 3.601 10 0 CHAERO CC(C)=CC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246750681 334268887 /nfs/dbraw/zinc/26/88/87/334268887.db2.gz QBJWFOQNQUQZLZ-CABCVRRESA-N 1 0 299.336 3.779 10 0 CHAERO COCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247157260 334276716 /nfs/dbraw/zinc/27/67/16/334276716.db2.gz UARMBAMGVUSYJA-TUAOUCFPSA-N 1 0 267.335 3.512 10 0 CHAERO CCN1CCC[C@@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000247204917 334277371 /nfs/dbraw/zinc/27/73/71/334277371.db2.gz WNVKEDJXAZCVBA-SCRDCRAPSA-N 1 0 296.505 3.747 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](C)Cc1ccccc1 ZINC000248604753 334308239 /nfs/dbraw/zinc/30/82/39/334308239.db2.gz VZJSEWPTPRLMAP-APWZRJJASA-N 1 0 297.446 3.535 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)C[C@H](C)CC)C12CCOCC2 ZINC000248624821 334309591 /nfs/dbraw/zinc/30/95/91/334309591.db2.gz CTGHEKPOOAOLKY-WCXIOVBPSA-N 1 0 297.483 3.765 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C12CCOCC2 ZINC000248632716 334310189 /nfs/dbraw/zinc/31/01/89/334310189.db2.gz IKXJAKZZZQMZCH-ARFHVFGLSA-N 1 0 295.467 3.519 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC)C12CCOCC2 ZINC000248905226 334321657 /nfs/dbraw/zinc/32/16/57/334321657.db2.gz BAJJPLIIBVYUEY-LTIDMASMSA-N 1 0 295.467 3.519 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000249910456 334341944 /nfs/dbraw/zinc/34/19/44/334341944.db2.gz VZYIWYKUZYFDHK-WCABBAIRSA-N 1 0 252.427 3.808 10 0 CHAERO C[C@H]1CCCC[C@H]1[NH2+]CCCc1nc2ccccc2n1C ZINC000090050913 334356551 /nfs/dbraw/zinc/35/65/51/334356551.db2.gz GBXZDAWLVKIPKI-LSDHHAIUSA-N 1 0 285.435 3.674 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000251227411 334358438 /nfs/dbraw/zinc/35/84/38/334358438.db2.gz XCDATBYOSRRTLY-ZMLRMANQSA-N 1 0 282.453 3.577 10 0 CHAERO C[C@H]1CC([NH2+][C@H]2CC(=O)N(C)c3ccccc32)C[C@H](C)C1 ZINC000252180399 334376047 /nfs/dbraw/zinc/37/60/47/334376047.db2.gz SUQHJCYFEGSDMZ-IOASZLSFSA-N 1 0 286.419 3.509 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000252725550 334386758 /nfs/dbraw/zinc/38/67/58/334386758.db2.gz OTIGJOLUMCHQAR-VSYUYLJXSA-N 1 0 256.176 3.979 10 0 CHAERO C/C(=C\c1ccccc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000179531887 335499541 /nfs/dbraw/zinc/49/95/41/335499541.db2.gz CJLFVUTWFSSUAU-SAPNQHFASA-N 1 0 295.430 3.699 10 0 CHAERO CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000353944043 335756035 /nfs/dbraw/zinc/75/60/35/335756035.db2.gz JGRHULFWRMYJIK-VXGBXAGGSA-N 1 0 289.345 3.675 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)c1C ZINC000384454435 336124656 /nfs/dbraw/zinc/12/46/56/336124656.db2.gz ASKFVKXDIPWLKX-NWDGAFQWSA-N 1 0 265.445 3.995 10 0 CHAERO CC(C)CCOCCC1(C[NH2+]C2CC2)CCCC1 ZINC000054655874 519665070 /nfs/dbraw/zinc/66/50/70/519665070.db2.gz DFFQROPHXAIFEU-UHFFFAOYSA-N 1 0 253.430 3.752 10 0 CHAERO CC(C)[NH2+]Cc1cccc(O[C@@H]2CCCC[C@H]2C)n1 ZINC000051524757 519727889 /nfs/dbraw/zinc/72/78/89/519727889.db2.gz VERPUKDLQTWTJF-UKRRQHHQSA-N 1 0 262.397 3.537 10 0 CHAERO CCC[NH2+]Cc1cnc(N(CC)[C@H](C)CC)c(Cl)c1 ZINC000051441171 519963061 /nfs/dbraw/zinc/96/30/61/519963061.db2.gz MAJLOLGYMPGWCH-GFCCVEGCSA-N 1 0 283.847 3.859 10 0 CHAERO CC[NH2+]C[C@H](Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000053340115 519973126 /nfs/dbraw/zinc/97/31/26/519973126.db2.gz XXRLNPMKAVAZIY-ZBFHGGJFSA-N 1 0 281.827 3.677 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCC[C@@H](C)C2)nc1CCC ZINC000054995529 519974396 /nfs/dbraw/zinc/97/43/96/519974396.db2.gz ZISNBFKXVNRJLJ-CYBMUJFWSA-N 1 0 295.496 3.832 10 0 CHAERO CC[NH2+]Cc1nc(O[C@@H]2CCCC[C@H]2C)ccc1Cl ZINC000051524898 520022812 /nfs/dbraw/zinc/02/28/12/520022812.db2.gz IRZZHEHYEYVOTI-BXUZGUMPSA-N 1 0 282.815 3.802 10 0 CHAERO CC[NH2+]Cc1sc(-c2cc(F)ccc2C)nc1C ZINC000052330365 520029445 /nfs/dbraw/zinc/02/94/45/520029445.db2.gz COYUDQGBUKWLRO-UHFFFAOYSA-N 1 0 264.369 3.676 10 0 CHAERO CC[NH2+][C@@H](Cc1ccc(F)cc1F)c1cccs1 ZINC000050885914 520103929 /nfs/dbraw/zinc/10/39/29/520103929.db2.gz MSEPRCANWOFUEQ-ZDUSSCGKSA-N 1 0 267.344 3.920 10 0 CHAERO CCC[C@@H](C)COc1ccc(Cl)cc1CC[NH3+] ZINC000051322963 520631631 /nfs/dbraw/zinc/63/16/31/520631631.db2.gz KHQMSMOGBMOGEC-LLVKDONJSA-N 1 0 255.789 3.656 10 0 CHAERO CCCC[C@H](CC)c1nnc(CCC[NH2+]C(C)C)o1 ZINC000050617452 521183223 /nfs/dbraw/zinc/18/32/23/521183223.db2.gz SSMVRIIJDNPZEV-ZDUSSCGKSA-N 1 0 267.417 3.684 10 0 CHAERO CCC(CC)CN(CC)[C@H](C[NH2+]C)c1ccccc1 ZINC000052540750 521523929 /nfs/dbraw/zinc/52/39/29/521523929.db2.gz DUGSARUKGOXWPQ-QGZVFWFLSA-N 1 0 262.441 3.705 10 0 CHAERO CCCc1nc(N2CCC[C@H]2CC)sc1C[NH2+]CC ZINC000054968791 521532409 /nfs/dbraw/zinc/53/24/09/521532409.db2.gz FUYQXQKHXBOZCL-GFCCVEGCSA-N 1 0 281.469 3.584 10 0 CHAERO CCCc1nc(N2CCC[C@H](C)C2)sc1C[NH2+]C(C)C ZINC000054995530 521532502 /nfs/dbraw/zinc/53/25/02/521532502.db2.gz OEEBWEMQUFKNJL-ZDUSSCGKSA-N 1 0 295.496 3.830 10 0 CHAERO C[NH2+]C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000052971090 522074483 /nfs/dbraw/zinc/07/44/83/522074483.db2.gz POXFNOHLGUPYFI-LBPRGKRZSA-N 1 0 275.314 3.619 10 0 CHAERO CC[C@@H](C)O[C@@H](C[NH2+]C(C)C)c1ccccc1F ZINC000050484786 522256510 /nfs/dbraw/zinc/25/65/10/522256510.db2.gz QTJLPBVVHOFMQS-DOMZBBRYSA-N 1 0 253.361 3.680 10 0 CHAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(Cl)cc2Cl)cn1 ZINC000062949854 518189658 /nfs/dbraw/zinc/18/96/58/518189658.db2.gz JDBLRFBROOLJGQ-AWEZNQCLSA-N 1 0 281.186 3.939 10 0 CHAERO CC(C)(C)C1CCC(c2nc(C(C)(C)[NH3+])no2)CC1 ZINC000054668244 518605670 /nfs/dbraw/zinc/60/56/70/518605670.db2.gz FNKCSEARKGCTJP-UHFFFAOYSA-N 1 0 265.401 3.583 10 0 CHAERO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)c1cccs1 ZINC000055482964 518628710 /nfs/dbraw/zinc/62/87/10/518628710.db2.gz HOTNZBLFSWGMOT-LLVKDONJSA-N 1 0 255.427 3.586 10 0 CHAERO CC(C)(C)[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000053010159 518761581 /nfs/dbraw/zinc/76/15/81/518761581.db2.gz ROPBCYCLRYMUFV-LBPRGKRZSA-N 1 0 266.816 3.554 10 0 CHAERO CC(C)(C)c1cccc(OCCC[C@@H]2CCC[NH2+]2)c1 ZINC000052765124 519055662 /nfs/dbraw/zinc/05/56/62/519055662.db2.gz CTCNPDZCRBTROA-HNNXBMFYSA-N 1 0 261.409 3.895 10 0 CHAERO CC(C)(CO)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000051292668 519278754 /nfs/dbraw/zinc/27/87/54/519278754.db2.gz XFBBUVLTOLKTAH-UHFFFAOYSA-N 1 0 283.415 3.707 10 0 CHAERO CC(C)C[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccc(F)cc1 ZINC000062707747 519414796 /nfs/dbraw/zinc/41/47/96/519414796.db2.gz VPDXOYSJPHZCNK-ROUUACIJSA-N 1 0 292.442 3.670 10 0 CHAERO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062671514 519414916 /nfs/dbraw/zinc/41/49/16/519414916.db2.gz BXEJZZURRDLBAF-INIZCTEOSA-N 1 0 280.843 3.550 10 0 CHAERO CC(C)[NH2+]C[C@@H](C(C)C)N(C)Cc1ccccc1Cl ZINC000052371877 519722772 /nfs/dbraw/zinc/72/27/72/519722772.db2.gz ASUOUCZRTWDYFC-INIZCTEOSA-N 1 0 282.859 3.794 10 0 CHAERO CC(C)C[NH2+]CCCCCOc1ccc(F)cc1F ZINC000052650852 519743349 /nfs/dbraw/zinc/74/33/49/519743349.db2.gz HLJUBSFCSPGCES-UHFFFAOYSA-N 1 0 271.351 3.760 10 0 CHAERO CC(C)C[NH2+]CCC[C@H](C)Oc1ccccc1F ZINC000052663857 519743810 /nfs/dbraw/zinc/74/38/10/519743810.db2.gz LTRILEPZOWYEOH-ZDUSSCGKSA-N 1 0 253.361 3.619 10 0 CHAERO CC(C)C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1Cl ZINC000052372035 519744126 /nfs/dbraw/zinc/74/41/26/519744126.db2.gz YNLFWOSQWGZRFX-CQSZACIVSA-N 1 0 282.859 3.796 10 0 CHAERO CC(C)C[NH2+]Cc1cnc(N(C)[C@H](C)CC(C)C)s1 ZINC000054908898 519748534 /nfs/dbraw/zinc/74/85/34/519748534.db2.gz ZBSHASUUOPENOT-CYBMUJFWSA-N 1 0 283.485 3.760 10 0 CHAERO CC(C)Oc1cccc([C@H]([NH3+])c2ccc(F)cc2)c1 ZINC000061666122 519783613 /nfs/dbraw/zinc/78/36/13/519783613.db2.gz MNPLOYLUAJZBME-MRXNPFEDSA-N 1 0 259.324 3.661 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049197617 519814730 /nfs/dbraw/zinc/81/47/30/519814730.db2.gz UZERJJHMRXOUJO-MNOVXSKESA-N 1 0 274.861 3.638 10 0 CHAERO CC(C)c1ccc([C@@H](C[NH3+])Nc2ccccc2)cc1 ZINC000057539797 519839294 /nfs/dbraw/zinc/83/92/94/519839294.db2.gz MWRIESYZKUJDGC-QGZVFWFLSA-N 1 0 254.377 3.922 10 0 CHAERO CC(C)c1ncc(Oc2cccc(Cl)c2)c(C[NH3+])n1 ZINC000051549556 519877194 /nfs/dbraw/zinc/87/71/94/519877194.db2.gz ABWVOWBYYOJCNQ-UHFFFAOYSA-N 1 0 277.755 3.504 10 0 CHAERO CCCC1CC[NH+]([C@@H](CN)c2sccc2C)CC1 ZINC000050893074 519902634 /nfs/dbraw/zinc/90/26/34/519902634.db2.gz DTFZFWMNTPMADC-AWEZNQCLSA-N 1 0 266.454 3.568 10 0 CHAERO CC[NH2+]CC1(O[C@@H]2CCCC[C@@H]2CC)CCCC1 ZINC000050491775 519913688 /nfs/dbraw/zinc/91/36/88/519913688.db2.gz KFGRBISPBRXMCL-LSDHHAIUSA-N 1 0 253.430 3.894 10 0 CHAERO CC[NH2+]CCC[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962069 519920208 /nfs/dbraw/zinc/92/02/08/519920208.db2.gz JUHGZVGFQUBMFP-CQSZACIVSA-N 1 0 257.381 3.501 10 0 CHAERO CCC[NH2+]C[C@@H](OC(C)C)c1ccc(Cl)cc1 ZINC000050483383 519921925 /nfs/dbraw/zinc/92/19/25/519921925.db2.gz CAMXYTIMXNVGNN-CQSZACIVSA-N 1 0 255.789 3.806 10 0 CHAERO CCC[NH2+]C[C@@H]1CCN(c2ccc3ccccc3c2)C1 ZINC000053033950 519923863 /nfs/dbraw/zinc/92/38/63/519923863.db2.gz PQGUQCMGLRLJPL-HNNXBMFYSA-N 1 0 268.404 3.666 10 0 CHAERO CCC[NH2+]C[C@H](OC(C)(C)C)c1ccccc1F ZINC000050484059 519933317 /nfs/dbraw/zinc/93/33/17/519933317.db2.gz WEWSYGSLHXEKRV-AWEZNQCLSA-N 1 0 253.361 3.682 10 0 CHAERO CCC[NH2+]C[C@](C)(CC)CCCOCC(F)(F)F ZINC000054660919 519940212 /nfs/dbraw/zinc/94/02/12/519940212.db2.gz XXCBJXDJLQPRON-GFCCVEGCSA-N 1 0 269.351 3.761 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cccs2)nc1C ZINC000052330504 519972877 /nfs/dbraw/zinc/97/28/77/519972877.db2.gz ZPOYCYLIHHDMOK-UHFFFAOYSA-N 1 0 252.408 3.680 10 0 CHAERO CC[NH2+]C[C@H](c1ccccc1)N(C)[C@@H](C)CC(C)C ZINC000052572133 519975704 /nfs/dbraw/zinc/97/57/04/519975704.db2.gz BQMNIOZHSZXZFS-DOTOQJQBSA-N 1 0 262.441 3.704 10 0 CHAERO CC[NH2+]C[C@]1(Cc2ccc(Cl)cc2Cl)CCOC1 ZINC000054664105 519983242 /nfs/dbraw/zinc/98/32/42/519983242.db2.gz ZFJUVODPENIIOP-CQSZACIVSA-N 1 0 288.218 3.552 10 0 CHAERO CCC[NH2+][C@@H](C)c1cnc(N(CC)CC(C)C)s1 ZINC000054902192 519991216 /nfs/dbraw/zinc/99/12/16/519991216.db2.gz TWDNOKTVFAVBIS-LBPRGKRZSA-N 1 0 269.458 3.686 10 0 CHAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1OCC(C)C ZINC000062747422 519989145 /nfs/dbraw/zinc/98/91/45/519989145.db2.gz CCFHJKAUUPPLDP-LBPRGKRZSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@@H](CC1CCOCC1)c1cccc(F)c1 ZINC000053790081 519992975 /nfs/dbraw/zinc/99/29/75/519992975.db2.gz IIMMIIJDEGCHKV-INIZCTEOSA-N 1 0 265.372 3.683 10 0 CHAERO CCC[NH2+][C@@H]1CCCC[C@H]1CCOCCC(C)C ZINC000049267278 520020496 /nfs/dbraw/zinc/02/04/96/520020496.db2.gz ZSTWBMNVEOJNTL-JKSUJKDBSA-N 1 0 255.446 3.998 10 0 CHAERO CCC[NH2+][C@@H]1CCCC[C@H]1CCOCC(F)(F)F ZINC000049311578 520021097 /nfs/dbraw/zinc/02/10/97/520021097.db2.gz OGBZUOGXNGOADJ-NWDGAFQWSA-N 1 0 267.335 3.514 10 0 CHAERO CCC[NH2+][C@H](C)c1sc(N2CCC[C@@H]2C)nc1C ZINC000054898977 520066814 /nfs/dbraw/zinc/06/68/14/520066814.db2.gz LMSOKPBWCRMGBE-WDEREUQCSA-N 1 0 267.442 3.501 10 0 CHAERO CCC[NH2+][C@H](C)c1sc(N2CCC[C@@H]2CC)nc1C ZINC000054898884 520067452 /nfs/dbraw/zinc/06/74/52/520067452.db2.gz LXVNCVCXXUIMQW-YPMHNXCESA-N 1 0 281.469 3.891 10 0 CHAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1CCCCO1 ZINC000050962493 520088418 /nfs/dbraw/zinc/08/84/18/520088418.db2.gz LTRFYHUYCARXDZ-HUUCEWRRSA-N 1 0 269.335 3.575 10 0 CHAERO CCC[NH2+][C@H]1CCC[C@@H]1c1cc(Cl)ccc1OC ZINC000055232000 520092223 /nfs/dbraw/zinc/09/22/23/520092223.db2.gz FEQQTCXTSABUGC-OCCSQVGLSA-N 1 0 267.800 3.984 10 0 CHAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1cc(Cl)ccc1OC ZINC000055231535 520116141 /nfs/dbraw/zinc/11/61/41/520116141.db2.gz HFJKFRWAVXFXMQ-TZMCWYRMSA-N 1 0 267.800 3.984 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(-n2ccc(C)n2)c(Cl)c1 ZINC000061698552 520176205 /nfs/dbraw/zinc/17/62/05/520176205.db2.gz XJAKRKQCGHBXSP-LLVKDONJSA-N 1 0 263.772 3.505 10 0 CHAERO CCCCCN1C[C@@H](C(C)C)[NH2+]Cc2ccccc21 ZINC000062657699 520182386 /nfs/dbraw/zinc/18/23/86/520182386.db2.gz SPINTWIZVSXCEJ-INIZCTEOSA-N 1 0 260.425 3.811 10 0 CHAERO CCCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705181 520182771 /nfs/dbraw/zinc/18/27/71/520182771.db2.gz WUHMETUWVZSXFT-OALUTQOASA-N 1 0 288.479 3.718 10 0 CHAERO CC[NH2+][C@H](C[C@@H]1CCCO1)c1cc2ccccc2o1 ZINC000062797922 520203248 /nfs/dbraw/zinc/20/32/48/520203248.db2.gz NFIGPBUZEXLDHZ-UONOGXRCSA-N 1 0 259.349 3.653 10 0 CHAERO CC[NH2+][C@H](Cc1csc(C)n1)c1ccc(C)c(C)c1 ZINC000055295849 520204122 /nfs/dbraw/zinc/20/41/22/520204122.db2.gz VWXDFZUSEJPWMJ-MRXNPFEDSA-N 1 0 274.433 3.962 10 0 CHAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1cccc(Cl)c1 ZINC000055268915 520205520 /nfs/dbraw/zinc/20/55/20/520205520.db2.gz MAAOPTXFUIYVDA-CYBMUJFWSA-N 1 0 280.824 3.998 10 0 CHAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1ccccc1C ZINC000055268599 520205982 /nfs/dbraw/zinc/20/59/82/520205982.db2.gz NBDPTIRQRXBTJD-CQSZACIVSA-N 1 0 260.406 3.653 10 0 CHAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CCOC(C)C ZINC000054630933 520219833 /nfs/dbraw/zinc/21/98/33/520219833.db2.gz MHTGZVZDJGKYGI-JYJNAYRXSA-N 1 0 255.446 3.852 10 0 CHAERO CCCOC[C@@H](Cc1ccc(C(C)C)cc1)[NH2+]CC ZINC000060702113 520257280 /nfs/dbraw/zinc/25/72/80/520257280.db2.gz LESBQUVPYFQIFS-QGZVFWFLSA-N 1 0 263.425 3.757 10 0 CHAERO CCCCC[C@H](C)[NH2+]CCCOCC(F)(F)F ZINC000049312440 520309223 /nfs/dbraw/zinc/30/92/23/520309223.db2.gz CNCGUUWLFHSDIJ-NSHDSACASA-N 1 0 255.324 3.514 10 0 CHAERO CCCOc1ccc([C@]2(C)C[C@@H]2C[NH2+]C(C)C)cc1 ZINC000054595296 520436002 /nfs/dbraw/zinc/43/60/02/520436002.db2.gz YSRPJSSWHJQISS-WBVHZDCISA-N 1 0 261.409 3.751 10 0 CHAERO CCCC[N@H+](CC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054560871 520477741 /nfs/dbraw/zinc/47/77/41/520477741.db2.gz JHQYQRIDNOKHLX-PMPSAXMXSA-N 1 0 255.446 3.542 10 0 CHAERO CCCOc1ccccc1O[C@](C)(CC)C[NH2+]CC ZINC000051959136 520485518 /nfs/dbraw/zinc/48/55/18/520485518.db2.gz GBKKLWFANIPECJ-MRXNPFEDSA-N 1 0 265.397 3.632 10 0 CHAERO CCC[C@@H](CC)N1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602242 520678753 /nfs/dbraw/zinc/67/87/53/520678753.db2.gz FVHALOKKVCRAOP-VIYLOZMYSA-N 1 0 252.446 3.560 10 0 CHAERO CCC[C@@H](C[NH2+]C1CC1)Cc1cc(F)ccc1F ZINC000052970546 520710724 /nfs/dbraw/zinc/71/07/24/520710724.db2.gz XDGVILZJDUWYCY-LLVKDONJSA-N 1 0 253.336 3.676 10 0 CHAERO CCC[C@@H]([NH2+]CC)[C@H](CC)Oc1cccc(F)c1F ZINC000062613406 520772039 /nfs/dbraw/zinc/77/20/39/520772039.db2.gz JYGTUMBLIDFGHK-OLZOCXBDSA-N 1 0 271.351 3.900 10 0 CHAERO CC1CCC(C[NH2+]C(C)(C)C)(OCC2CC2)CC1 ZINC000050485565 520922712 /nfs/dbraw/zinc/92/27/12/520922712.db2.gz DDEZSWRMPJPMTR-UHFFFAOYSA-N 1 0 253.430 3.750 10 0 CHAERO CCC[C@H](C)COc1ccc(Cl)cc1CC[NH3+] ZINC000051322965 521020717 /nfs/dbraw/zinc/02/07/17/521020717.db2.gz KHQMSMOGBMOGEC-NSHDSACASA-N 1 0 255.789 3.656 10 0 CHAERO CCCc1ccc(O[C@H](C[NH3+])c2ccccc2)cc1 ZINC000053332131 521404719 /nfs/dbraw/zinc/40/47/19/521404719.db2.gz DGWQKRLGFSACCN-QGZVFWFLSA-N 1 0 255.361 3.718 10 0 CHAERO CCOc1cccc([C@@H]([NH3+])c2ccc(C)cc2C)c1 ZINC000055235853 521413377 /nfs/dbraw/zinc/41/33/77/521413377.db2.gz NHMHZIQIGDYDCK-QGZVFWFLSA-N 1 0 255.361 3.750 10 0 CHAERO CCN([C@@H](C[NH2+]CC(C)C)C(C)C)C1CCCC1 ZINC000052457547 521472225 /nfs/dbraw/zinc/47/22/25/521472225.db2.gz BCVCRGMTRFIXQR-INIZCTEOSA-N 1 0 254.462 3.521 10 0 CHAERO CCN(c1nc(C)c([C@H](C)[NH2+]C)s1)c1ccccc1 ZINC000054899209 521505898 /nfs/dbraw/zinc/50/58/98/521505898.db2.gz AGZNKHUZPCMNPY-NSHDSACASA-N 1 0 275.421 3.890 10 0 CHAERO CCOc1ccccc1[C@](C)([NH3+])c1cccc(Cl)c1 ZINC000055239982 521591737 /nfs/dbraw/zinc/59/17/37/521591737.db2.gz QOWWVWAOQROBFO-MRXNPFEDSA-N 1 0 275.779 3.961 10 0 CHAERO CCC[N@H+](CC)[C@@H](CN)c1csc2ccccc21 ZINC000054464013 521615102 /nfs/dbraw/zinc/61/51/02/521615102.db2.gz XYCHXYUPRNCMGB-AWEZNQCLSA-N 1 0 262.422 3.633 10 0 CHAERO CCCN(CC)c1nc(C(C)(C)C)c(C[NH2+]CC)s1 ZINC000054996688 521618489 /nfs/dbraw/zinc/61/84/89/521618489.db2.gz UIBMOMNQAIHZPU-UHFFFAOYSA-N 1 0 283.485 3.786 10 0 CHAERO COCC[C@H](C[NH2+]C(C)(C)C)Cc1cccc(Cl)c1 ZINC000052977847 521925714 /nfs/dbraw/zinc/92/57/14/521925714.db2.gz PPUSICUCTASLTO-AWEZNQCLSA-N 1 0 283.843 3.923 10 0 CHAERO CCc1ccccc1[C@@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000052204704 521932540 /nfs/dbraw/zinc/93/25/40/521932540.db2.gz HKULQTRHDNQLFL-OAHLLOKOSA-N 1 0 272.417 3.632 10 0 CHAERO C[NH2+]C[C@@H]1CCN(c2cc(Cl)c(Cl)cc2Cl)C1 ZINC000053011657 522056374 /nfs/dbraw/zinc/05/63/74/522056374.db2.gz IWWSWZNQRLNODI-QMMMGPOBSA-N 1 0 293.625 3.693 10 0 CHAERO C[NH2+]Cc1cc(Cl)ccc1OCCC(C)(C)C ZINC000049253969 522111659 /nfs/dbraw/zinc/11/16/59/522111659.db2.gz BJJMWEQZCVBIFH-UHFFFAOYSA-N 1 0 255.789 3.874 10 0 CHAERO C[NH2+]Cc1cccnc1Oc1ccc(C(C)C)cc1 ZINC000051546205 522140161 /nfs/dbraw/zinc/14/01/61/522140161.db2.gz APCMDYNPXDRQNZ-UHFFFAOYSA-N 1 0 256.349 3.717 10 0 CHAERO C[NH2+]Cc1sc(N2CCCC[C@@H]2C)nc1C(C)(C)C ZINC000054995302 522168032 /nfs/dbraw/zinc/16/80/32/522168032.db2.gz DYXAOECGWSJKGL-NSHDSACASA-N 1 0 281.469 3.539 10 0 CHAERO CC[C@H](C[NH2+]C(C)(C)C)N(C)Cc1ccccc1C ZINC000052547040 522189348 /nfs/dbraw/zinc/18/93/48/522189348.db2.gz DDVNGPLLVRQHPX-MRXNPFEDSA-N 1 0 262.441 3.594 10 0 CHAERO COC[C@@H](C)[NH2+]CCSc1cc(Cl)ccc1Cl ZINC000049799918 522251195 /nfs/dbraw/zinc/25/11/95/522251195.db2.gz NTQMXJSEQFTKGJ-SECBINFHSA-N 1 0 294.247 3.710 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OC1CCC1)c1ccc(Cl)s1 ZINC000050519269 522336420 /nfs/dbraw/zinc/33/64/20/522336420.db2.gz YPCIUCNKORVRQF-JOYOIKCWSA-N 1 0 259.802 3.749 10 0 CHAERO C[NH2+][C@@H](Cc1cc(C)ccc1C)c1ccc(F)cc1 ZINC000049258001 522360235 /nfs/dbraw/zinc/36/02/35/522360235.db2.gz WPQNGSVPXGIERC-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)C1CCOCC1 ZINC000061671668 522364250 /nfs/dbraw/zinc/36/42/50/522364250.db2.gz DTFYVZQLOGCYKW-QGZVFWFLSA-N 1 0 261.409 3.607 10 0 CHAERO C[NH2+][C@@H](c1ccccc1C)C1(c2ccccc2)CC1 ZINC000062781223 522372034 /nfs/dbraw/zinc/37/20/34/522372034.db2.gz VVNGKSTXPNOINN-KRWDZBQOSA-N 1 0 251.373 3.987 10 0 CHAERO CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)C(C)C)CCC2 ZINC000159052161 522474242 /nfs/dbraw/zinc/47/42/42/522474242.db2.gz LXBWOQMWUVBQPK-MNOVXSKESA-N 1 0 252.427 3.717 10 0 CHAERO C[NH2+][C@H](Cc1nc(C)cs1)c1ccccc1Cl ZINC000055268275 522475489 /nfs/dbraw/zinc/47/54/89/522475489.db2.gz TYJDJVCVCPPWQX-GFCCVEGCSA-N 1 0 266.797 3.608 10 0 CHAERO CC[C@@H](C[NH2+]C(C)(C)C)Cc1cc(C)ccc1OC ZINC000052974105 522543483 /nfs/dbraw/zinc/54/34/83/522543483.db2.gz UYWZKFVFWAJWJX-CQSZACIVSA-N 1 0 263.425 3.960 10 0 CHAERO CNc1ccc(Cl)c(C[N@H+](CC(C)C)C(C)C)n1 ZINC000061638841 522621990 /nfs/dbraw/zinc/62/19/90/522621990.db2.gz YKOJIJPFPYJTSH-UHFFFAOYSA-N 1 0 269.820 3.643 10 0 CHAERO COCCC1(C[NH2+]C2CC(c3cccc(C)c3)C2)CC1 ZINC000154262290 523059078 /nfs/dbraw/zinc/05/90/78/523059078.db2.gz NWWDYOJBGABITI-UHFFFAOYSA-N 1 0 273.420 3.647 10 0 CHAERO CCn1c2cccc(F)c2nc1C[N@@H+]1CCCC1(C)C ZINC000103143430 523273155 /nfs/dbraw/zinc/27/31/55/523273155.db2.gz YKNHJKVHEUYZRW-UHFFFAOYSA-N 1 0 275.371 3.570 10 0 CHAERO COc1ccc(Br)cc1C[C@H]1CCCC[C@@H]1[NH3+] ZINC000049597124 523502554 /nfs/dbraw/zinc/50/25/54/523502554.db2.gz BUJACTXGHZGSFG-MFKMUULPSA-N 1 0 298.224 3.518 10 0 CHAERO CC[C@H](C)COc1cc(OC)ccc1C[NH2+]C(C)C ZINC000050424009 523889031 /nfs/dbraw/zinc/88/90/31/523889031.db2.gz OZQNSAZRUXKAHZ-ZDUSSCGKSA-N 1 0 265.397 3.618 10 0 CHAERO CC[C@H](C)COc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC ZINC000050427398 523889070 /nfs/dbraw/zinc/88/90/70/523889070.db2.gz AIJPJEAGAALGQC-WDEREUQCSA-N 1 0 285.815 3.663 10 0 CHAERO CC[C@H](C)COc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000050427401 523889353 /nfs/dbraw/zinc/88/93/53/523889353.db2.gz AIJPJEAGAALGQC-QWRGUYRKSA-N 1 0 285.815 3.663 10 0 CHAERO Cc1ccc(C[N@@H+]2CCCN[C@H](c3ccccc3)C2)cc1 ZINC000062671247 524445166 /nfs/dbraw/zinc/44/51/66/524445166.db2.gz HQKWKJMYCDFFJU-IBGZPJMESA-N 1 0 280.415 3.532 10 0 CHAERO Cc1cc(C)cc(OCC[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000070138992 524449972 /nfs/dbraw/zinc/44/99/72/524449972.db2.gz PJVNQYQKWCXNJQ-WBVHZDCISA-N 1 0 261.409 3.851 10 0 CHAERO Cc1ccc(C[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)cn1 ZINC000057591514 524611722 /nfs/dbraw/zinc/61/17/22/524611722.db2.gz ZXNXVPPZAPYYMW-ZACQAIPSSA-N 1 0 258.409 3.839 10 0 CHAERO C[C@@H](C[NH2+]C1CCCC1)Sc1cc(F)ccc1F ZINC000053622273 524736074 /nfs/dbraw/zinc/73/60/74/524736074.db2.gz LPINOEJHGGCMGL-JTQLQIEISA-N 1 0 271.376 3.978 10 0 CHAERO Cc1ccc(F)c([C@@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000052981860 524835822 /nfs/dbraw/zinc/83/58/22/524835822.db2.gz QPYSFSLBPQWGJC-GFCCVEGCSA-N 1 0 255.745 3.897 10 0 CHAERO Cc1ccc(F)cc1[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785961 524874604 /nfs/dbraw/zinc/87/46/04/524874604.db2.gz DFTPCKSJXZRKCY-AWEZNQCLSA-N 1 0 267.706 3.975 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+](CCNc2cccc(Cl)c2)C1 ZINC000053344446 524885092 /nfs/dbraw/zinc/88/50/92/524885092.db2.gz VZWPBMLYNJCLAA-STQMWFEESA-N 1 0 266.816 3.730 10 0 CHAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC(C)(C)CC1 ZINC000061818314 525016011 /nfs/dbraw/zinc/01/60/11/525016011.db2.gz YOWYOVALUWOSFZ-IUODEOHRSA-N 1 0 280.843 3.850 10 0 CHAERO C[C@@H]([NH3+])c1ccc(Oc2cc(F)cc(F)c2)c(F)c1 ZINC000054933220 525028601 /nfs/dbraw/zinc/02/86/01/525028601.db2.gz ZOLYTMPZXBTCIN-MRVPVSSYSA-N 1 0 267.250 3.916 10 0 CHAERO COc1ccc([C@@H](C)[NH2+]Cc2ccsc2C)cc1OC ZINC000293480636 525155879 /nfs/dbraw/zinc/15/58/79/525155879.db2.gz FUJCALRUSWQTQP-LLVKDONJSA-N 1 0 291.416 3.925 10 0 CHAERO Cc1ccccc1COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745890 525173497 /nfs/dbraw/zinc/17/34/97/525173497.db2.gz WYFXAZPFXIEMPB-GFCCVEGCSA-N 1 0 259.324 3.733 10 0 CHAERO Cc1ccccc1CS[C@@H](CC[NH3+])C(F)(F)F ZINC000054964298 525183592 /nfs/dbraw/zinc/18/35/92/525183592.db2.gz BZROTPHOHWBITQ-NSHDSACASA-N 1 0 263.328 3.508 10 0 CHAERO Cc1ccc(NCCC[NH+]2CCCC2)c(Cl)c1 ZINC000049332376 525274574 /nfs/dbraw/zinc/27/45/74/525274574.db2.gz QYBAQUDZPNHIPD-UHFFFAOYSA-N 1 0 252.789 3.546 10 0 CHAERO Cc1ccccc1N[C@H](C[NH3+])c1ccccc1Cl ZINC000057547758 525275041 /nfs/dbraw/zinc/27/50/41/525275041.db2.gz DINWMPUETKDUOC-OAHLLOKOSA-N 1 0 260.768 3.760 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000037074360 525335562 /nfs/dbraw/zinc/33/55/62/525335562.db2.gz VORINTKLCATZIC-GUYCJALGSA-N 1 0 283.371 3.870 10 0 CHAERO Cc1cc(OCc2cc(C[NH3+])co2)cc(C)c1Cl ZINC000052700102 525373785 /nfs/dbraw/zinc/37/37/85/525373785.db2.gz PJQJMEGSGLUYHS-UHFFFAOYSA-N 1 0 265.740 3.588 10 0 CHAERO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc2ccccc2c1 ZINC000189312041 525406364 /nfs/dbraw/zinc/40/63/64/525406364.db2.gz STTBRZZTEFJZAL-XHDPSFHLSA-N 1 0 297.320 3.804 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccncc1 ZINC000293228099 525520994 /nfs/dbraw/zinc/52/09/94/525520994.db2.gz ASHISDYJOLHENC-GFCCVEGCSA-N 1 0 270.351 3.949 10 0 CHAERO Cc1ccc([C@@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)cc1 ZINC000054601233 525690155 /nfs/dbraw/zinc/69/01/55/525690155.db2.gz JXMXREBFBFQHHR-BMFZPTHFSA-N 1 0 257.377 3.642 10 0 CHAERO Cc1ccc(C(N)=[NH2+])c(Oc2cccc(Cl)c2)c1 ZINC000051580392 526012351 /nfs/dbraw/zinc/01/23/51/526012351.db2.gz AYOSNPGTGXVBFW-UHFFFAOYSA-N 1 0 260.724 3.725 10 0 CHAERO C[C@@H](c1ccc(Cl)s1)n1c(N)[nH+]c2ccccc21 ZINC000049146647 526047870 /nfs/dbraw/zinc/04/78/70/526047870.db2.gz AKVDOXQOFQAXCW-QMMMGPOBSA-N 1 0 277.780 3.943 10 0 CHAERO Cc1ccc2[nH]c(S[C@@H](C[NH3+])c3cccs3)nc2c1 ZINC000061440009 526254928 /nfs/dbraw/zinc/25/49/28/526254928.db2.gz UKFVBTNJPGEVMJ-ZDUSSCGKSA-N 1 0 289.429 3.725 10 0 CHAERO Cc1nn([C@H](C[NH2+]C(C)(C)C)C(C)C)c(C)c1Cl ZINC000052574061 526306378 /nfs/dbraw/zinc/30/63/78/526306378.db2.gz PMRVRHOCOSRROC-GFCCVEGCSA-N 1 0 271.836 3.739 10 0 CHAERO Cc1csc([C@@H](CCc2ccccc2)[NH2+]C2CC2)n1 ZINC000061625775 526414571 /nfs/dbraw/zinc/41/45/71/526414571.db2.gz ZFIBAYILLALUFI-OAHLLOKOSA-N 1 0 272.417 3.877 10 0 CHAERO Cc1csc([C@H]([NH2+]C(C)C)c2ccc(F)cc2C)n1 ZINC000050580509 526439712 /nfs/dbraw/zinc/43/97/12/526439712.db2.gz OLWNFVTVGULOLO-CQSZACIVSA-N 1 0 278.396 3.986 10 0 CHAERO c1ccc(Cc2ccc(OC[C@H]3CCCC[NH2+]3)cc2)cc1 ZINC000049114392 526478210 /nfs/dbraw/zinc/47/82/10/526478210.db2.gz YZRAMLLKPOGYCE-GOSISDBHSA-N 1 0 281.399 3.798 10 0 in-vivo CHAERO Cc1n[nH]cc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000126156286 526556040 /nfs/dbraw/zinc/55/60/40/526556040.db2.gz QEJSRUHQBSUGLG-INIZCTEOSA-N 1 0 269.392 3.521 10 0 CHAERO Cc1oc(C[NH3+])cc1CO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629369 526771027 /nfs/dbraw/zinc/77/10/27/526771027.db2.gz GEUPZYPENLXKMT-BXUZGUMPSA-N 1 0 265.397 3.778 10 0 CHAERO NC(=[NH2+])C[C@H](Sc1ccccc1F)c1ccccc1 ZINC000055024099 526816303 /nfs/dbraw/zinc/81/63/03/526816303.db2.gz CENZVZKRGLAHIN-AWEZNQCLSA-N 1 0 274.364 3.985 10 0 CHAERO NC(=[NH2+])c1c(F)cccc1Oc1ccccc1Cl ZINC000062566139 526819027 /nfs/dbraw/zinc/81/90/27/526819027.db2.gz HPWIGERAQPWTME-UHFFFAOYSA-N 1 0 264.687 3.555 10 0 CHAERO Cc1nc(Cc2ccc(C)c(C)c2)sc1[C@@H](C)[NH3+] ZINC000061681760 526926065 /nfs/dbraw/zinc/92/60/65/526926065.db2.gz PQKMORWOGCJUFM-LLVKDONJSA-N 1 0 260.406 3.679 10 0 CHAERO Clc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)s1 ZINC000293532986 526944163 /nfs/dbraw/zinc/94/41/63/526944163.db2.gz CAQVZDHUMQUCHE-AWEZNQCLSA-N 1 0 297.851 3.793 10 0 CHAERO [NH3+]Cc1cc(Cl)ccc1N1CCC[C@H]2CCCC[C@@H]21 ZINC000052856941 527248747 /nfs/dbraw/zinc/24/87/47/527248747.db2.gz REDCKPPGBKFYCL-DOMZBBRYSA-N 1 0 278.827 3.958 10 0 CHAERO [NH3+][C@@H](c1cccs1)c1ccccc1OC(F)(F)F ZINC000055205428 527339318 /nfs/dbraw/zinc/33/93/18/527339318.db2.gz GLMRHTQBGGKNAJ-LLVKDONJSA-N 1 0 273.279 3.695 10 0 CHAERO [NH3+][C@@H]1CCCC[C@@H]1CCOc1cccc(Br)c1 ZINC000049597122 527342603 /nfs/dbraw/zinc/34/26/03/527342603.db2.gz JQZDLUVXPLPGEN-BXUZGUMPSA-N 1 0 298.224 3.736 10 0 CHAERO [NH3+][C@H](Cc1cc(F)cc(F)c1)c1ccccc1Cl ZINC000049348701 527388492 /nfs/dbraw/zinc/38/84/92/527388492.db2.gz YRZBBDBUJUATAZ-CQSZACIVSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@H](Cc1cccc(F)c1F)c1ccccc1Cl ZINC000060703770 527390058 /nfs/dbraw/zinc/39/00/58/527390058.db2.gz ZFPBEYMOBXXFBG-CYBMUJFWSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@H](c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000061703524 527392344 /nfs/dbraw/zinc/39/23/44/527392344.db2.gz GGUSUPPKEBBKNN-CYBMUJFWSA-N 1 0 267.250 3.633 10 0 CHAERO [NH3+][C@H]1CCCC[C@H]1CCOc1cccc(Br)c1 ZINC000049597119 527398141 /nfs/dbraw/zinc/39/81/41/527398141.db2.gz JQZDLUVXPLPGEN-FZMZJTMJSA-N 1 0 298.224 3.736 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1cccc(Cl)c1 ZINC000083493784 536170009 /nfs/dbraw/zinc/17/00/09/536170009.db2.gz QSFWZRRFJWXVPN-ZFWWWQNUSA-N 1 0 266.816 3.553 10 0 CHAERO [NH3+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000050329882 567893918 /nfs/dbraw/zinc/89/39/18/567893918.db2.gz OHEZFCJRANVAOW-SNVBAGLBSA-N 1 0 264.781 3.800 10 0 CHAERO CCC[NH+](CCc1cccc(O)c1)CCc1cccc(O)c1 ZINC000005833377 560203445 /nfs/dbraw/zinc/20/34/45/560203445.db2.gz RVXNTMVFBHOIKH-UHFFFAOYSA-N 1 0 299.414 3.595 10 0 in-vitro CHAERO C/C=C(\C)C[N@@H+]1CCc2onc(-c3ccccc3)c2C1 ZINC000012707000 566861961 /nfs/dbraw/zinc/86/19/61/566861961.db2.gz HPAGXOXXSWGVNP-QLKAYGNNSA-N 1 0 268.360 3.666 10 0 CHAERO CCC[C@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000083821553 567026745 /nfs/dbraw/zinc/02/67/45/567026745.db2.gz YVXKNKVFMFXMMX-JTQLQIEISA-N 1 0 268.154 3.995 10 0 CHAERO [NH3+][C@H](CC1CC1)c1cc2c(cccc2Br)o1 ZINC000675081239 567027684 /nfs/dbraw/zinc/02/76/84/567027684.db2.gz NRUHDXJZGWTILP-LLVKDONJSA-N 1 0 280.165 3.995 10 0 CHAERO Brc1ccccc1[C@H]1[NH2+]CCc2ccsc21 ZINC000084704883 567033635 /nfs/dbraw/zinc/03/36/35/567033635.db2.gz SMDXLOWNBQJKSK-GFCCVEGCSA-N 1 0 294.217 3.746 10 0 CHAERO CCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccc(C)cc2)no1 ZINC000065286070 567875977 /nfs/dbraw/zinc/87/59/77/567875977.db2.gz XUJMAZHPRRHSDW-HNNXBMFYSA-N 1 0 285.391 3.982 10 0 CHAERO Clc1ccc(C[NH2+]CCOc2ccccn2)cc1Cl ZINC000057353337 567894966 /nfs/dbraw/zinc/89/49/66/567894966.db2.gz JNFKLEPTNZMRCV-UHFFFAOYSA-N 1 0 297.185 3.557 10 0 CHAERO CC(C)(C)[C@H]1C[C@H]2CC[C@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000725268196 567924226 /nfs/dbraw/zinc/92/42/26/567924226.db2.gz KOPJWUJWSGCGCT-BARDWOONSA-N 1 0 263.425 3.502 10 0 CHAERO Cc1cccc(COc2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000032115725 567955727 /nfs/dbraw/zinc/95/57/27/567955727.db2.gz PPWZWEZLZRAHHM-UHFFFAOYSA-N 1 0 267.372 3.826 10 0 CHAERO CC[N@H+](CCCCCn1cccn1)C1CCCCC1 ZINC000104667091 1118235310 /nfs/dbraw/zinc/23/53/10/1118235310.db2.gz HSVSYDGFRMHMPM-UHFFFAOYSA-N 1 0 263.429 3.708 10 0 CHAERO CC[N@H+](CC(C)C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726372 1119712989 /nfs/dbraw/zinc/71/29/89/1119712989.db2.gz JTHOAFLAKBGPFC-ZDUSSCGKSA-N 1 0 273.380 3.776 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCOC1)c1cccc2ccccc21 ZINC000103955906 1120026356 /nfs/dbraw/zinc/02/63/56/1120026356.db2.gz JHAHZWXZYPOFDQ-ZFWWWQNUSA-N 1 0 255.361 3.669 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1C(F)(F)F ZINC000103965371 1120026687 /nfs/dbraw/zinc/02/66/87/1120026687.db2.gz NXZVJOFNMCPSJF-GHMZBOCLSA-N 1 0 273.298 3.535 10 0 CHAERO O[C@@H](C[N@@H+]1CCC[C@@H]1C1CCC1)c1ccccc1Cl ZINC000102927629 1122958957 /nfs/dbraw/zinc/95/89/57/1122958957.db2.gz GPBWKPCGXUVUIK-CVEARBPZSA-N 1 0 279.811 3.638 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc2c(c1)OCO2 ZINC000192750530 1123815335 /nfs/dbraw/zinc/81/53/35/1123815335.db2.gz CIFKZOBRZMLHJJ-DOMZBBRYSA-N 1 0 297.354 3.590 10 0 CHAERO Cc1cc(N2CCC(Nc3ccccc3F)CC2)cc[nH+]1 ZINC000302574151 1123972764 /nfs/dbraw/zinc/97/27/64/1123972764.db2.gz QLZWDBHIABZUCU-UHFFFAOYSA-N 1 0 285.366 3.610 10 0 CHAERO CCCc1nc(Cc2cccc(Cl)c2)sc1C[NH3+] ZINC000082427196 178002793 /nfs/dbraw/zinc/00/27/93/178002793.db2.gz BDXDQQPXBUQBFX-UHFFFAOYSA-N 1 0 280.824 3.799 10 0 CHAERO CCC[NH2+]Cc1sc(CC(C)C)nc1CCC ZINC000082428012 178003698 /nfs/dbraw/zinc/00/36/98/178003698.db2.gz JWMBOTOAKUZYSP-UHFFFAOYSA-N 1 0 254.443 3.794 10 0 CHAERO CC[NH2+]Cc1sc(COc2ccccc2)nc1C(C)C ZINC000082429868 178007340 /nfs/dbraw/zinc/00/73/40/178007340.db2.gz OZDQSNPWLCONJM-UHFFFAOYSA-N 1 0 290.432 3.955 10 0 CHAERO c1ccc(-c2nc(C3CC3)c(C[NH2+]C3CC3)s2)cc1 ZINC000082435276 178012645 /nfs/dbraw/zinc/01/26/45/178012645.db2.gz DGQPYEIWFMAYCM-UHFFFAOYSA-N 1 0 270.401 3.940 10 0 CHAERO [NH3+]Cc1sc(-c2ccccc2Cl)nc1C1CC1 ZINC000082435507 178013066 /nfs/dbraw/zinc/01/30/66/178013066.db2.gz ICDYLMLOIZDWBY-UHFFFAOYSA-N 1 0 264.781 3.800 10 0 CHAERO CC(C)[NH2+]Cc1sc(-c2cccnc2)nc1C1CC1 ZINC000082435679 178013426 /nfs/dbraw/zinc/01/34/26/178013426.db2.gz QBBBOOCJWWTOOZ-UHFFFAOYSA-N 1 0 273.405 3.581 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccncc2)nc1C1CC1 ZINC000082435712 178013470 /nfs/dbraw/zinc/01/34/70/178013470.db2.gz UUBGCGOVPVCWCL-UHFFFAOYSA-N 1 0 273.405 3.582 10 0 CHAERO CCc1ccc(-c2nc(C3CC3)c(C[NH3+])s2)cc1 ZINC000082436799 178014480 /nfs/dbraw/zinc/01/44/80/178014480.db2.gz WNPMRHSUCVUKKV-UHFFFAOYSA-N 1 0 258.390 3.709 10 0 CHAERO CC[NH2+]Cc1sc(-c2cccs2)nc1C1CC1 ZINC000082436814 178014505 /nfs/dbraw/zinc/01/45/05/178014505.db2.gz OJOBMNWQEOBALE-UHFFFAOYSA-N 1 0 264.419 3.859 10 0 CHAERO CCOc1ccccc1-c1nc(C2CC2)c(C[NH3+])s1 ZINC000082436652 178014538 /nfs/dbraw/zinc/01/45/38/178014538.db2.gz SFOGFBCRYDRGGA-UHFFFAOYSA-N 1 0 274.389 3.545 10 0 CHAERO C[NH2+]Cc1sc(-c2ccccc2)nc1C(C)(C)C ZINC000082438762 178017028 /nfs/dbraw/zinc/01/70/28/178017028.db2.gz NMNCUNKOSRMBRW-UHFFFAOYSA-N 1 0 260.406 3.827 10 0 CHAERO CC(C)(C)c1nc([C@H]2CCCO2)sc1C[NH2+]C1CC1 ZINC000082440122 178018318 /nfs/dbraw/zinc/01/83/18/178018318.db2.gz UPAMEIIHIXAKIR-LLVKDONJSA-N 1 0 280.437 3.544 10 0 CHAERO CCOc1cccc(-c2nc(C(C)(C)C)c(C[NH3+])s2)c1 ZINC000082440490 178018464 /nfs/dbraw/zinc/01/84/64/178018464.db2.gz LXAPXXQXYPWVQD-UHFFFAOYSA-N 1 0 290.432 3.965 10 0 CHAERO [NH3+]C[C@@H](Oc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000095751190 185025953 /nfs/dbraw/zinc/02/59/53/185025953.db2.gz LYLQTIRDRGKBSG-CQSZACIVSA-N 1 0 297.276 3.664 10 0 CHAERO FC(F)(F)c1cc([C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000095828513 185029108 /nfs/dbraw/zinc/02/91/08/185029108.db2.gz JNULWDHFVOCURD-SECBINFHSA-N 1 0 263.690 3.826 10 0 CHAERO Cc1ccc(C[NH2+]CCCSC(F)(F)F)cc1 ZINC000095918344 185030538 /nfs/dbraw/zinc/03/05/38/185030538.db2.gz VBFSCEMIMFAWOG-UHFFFAOYSA-N 1 0 263.328 3.728 10 0 CHAERO CC[NH2+]Cc1cnn(-c2cc(C)ccc2C)c1C(F)(F)F ZINC000082661805 178149356 /nfs/dbraw/zinc/14/93/56/178149356.db2.gz PMSUIAOFPXEGOC-UHFFFAOYSA-N 1 0 297.324 3.617 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(OC)cc2)c1 ZINC000082709699 178219795 /nfs/dbraw/zinc/21/97/95/178219795.db2.gz OMCYAKCYOVHYRS-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(OC)c(F)c2)c1 ZINC000082710231 178221624 /nfs/dbraw/zinc/22/16/24/178221624.db2.gz XQHIPRLREKSGNN-JTQLQIEISA-N 1 0 277.314 3.921 10 0 CHAERO Nc1[nH+]c2ccc(Cl)cc2n1-c1cccc(Cl)c1 ZINC000124938411 187162038 /nfs/dbraw/zinc/16/20/38/187162038.db2.gz CZEOXLUYTGFXBU-UHFFFAOYSA-N 1 0 278.142 3.915 10 0 CHAERO CC(C)C[C@H]([NH3+])c1cc(Br)ccc1F ZINC000083256137 178371447 /nfs/dbraw/zinc/37/14/47/178371447.db2.gz PWYKGTUPOGADDA-NSHDSACASA-N 1 0 260.150 3.634 10 0 CHAERO CC(C)[NH2+][C@@H](C)Cc1ccc(OC2CCCC2)cc1 ZINC000098130711 185692104 /nfs/dbraw/zinc/69/21/04/185692104.db2.gz JLYSXULUHKLWFM-AWEZNQCLSA-N 1 0 261.409 3.937 10 0 CHAERO CCC1(CC)CC[NH+]([C@@H]2CCCCCC[C@H]2O)CC1 ZINC000103977695 185873272 /nfs/dbraw/zinc/87/32/72/185873272.db2.gz PZUMUVLGWSDBET-HZPDHXFCSA-N 1 0 267.457 3.972 10 0 CHAERO CCC[NH2+][C@@H](CN(C)c1ccc(C)cc1)C(C)(C)C ZINC000103989980 185876624 /nfs/dbraw/zinc/87/66/24/185876624.db2.gz SOEZSJMNZRETLX-INIZCTEOSA-N 1 0 262.441 3.846 10 0 CHAERO CCCCCC[NH2+]CCN(CC)c1cccc(F)c1 ZINC000103996631 185877954 /nfs/dbraw/zinc/87/79/54/185877954.db2.gz VCUQMRQYYOLJPZ-UHFFFAOYSA-N 1 0 266.404 3.822 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000104070492 185891958 /nfs/dbraw/zinc/89/19/58/185891958.db2.gz MHJZNZRQEXANFW-ZDUSSCGKSA-N 1 0 257.299 3.636 10 0 CHAERO CC[C@H]([NH3+])[C@H](Sc1ccncn1)c1cccc(Cl)c1 ZINC000104186767 185918932 /nfs/dbraw/zinc/91/89/32/185918932.db2.gz NLMKAZIBVHKDRY-GXTWGEPZSA-N 1 0 293.823 3.701 10 0 CHAERO Fc1cccc([C@@H]2CC[NH2+][C@H]2c2ccccc2)c1F ZINC000104244840 185941775 /nfs/dbraw/zinc/94/17/75/185941775.db2.gz XOKXIDAPKLNXMV-BBRMVZONSA-N 1 0 259.299 3.783 10 0 CHAERO Fc1cccc([C@@H]2CC[NH2+][C@@H]2c2ccccc2)c1F ZINC000104244833 185941848 /nfs/dbraw/zinc/94/18/48/185941848.db2.gz XOKXIDAPKLNXMV-XJKSGUPXSA-N 1 0 259.299 3.783 10 0 CHAERO CCC(C)(C)[NH2+]CCOc1ccc(SC)cc1 ZINC000104339169 185974686 /nfs/dbraw/zinc/97/46/86/185974686.db2.gz CJEACUBUNMBWIE-UHFFFAOYSA-N 1 0 253.411 3.566 10 0 CHAERO CCC[NH2+][C@@H](C)c1sc(-c2cc(C)ccn2)nc1C ZINC000104414334 185993350 /nfs/dbraw/zinc/99/33/50/185993350.db2.gz KCQMDAVLTKQDNU-NSHDSACASA-N 1 0 275.421 3.883 10 0 CHAERO Nc1ccc(/C=C/c2cc(N)c3ccccc3[nH+]2)cc1 ZINC000090599026 180010412 /nfs/dbraw/zinc/01/04/12/180010412.db2.gz XYYWQTBWIXUPCZ-JXMROGBWSA-N 1 0 261.328 3.570 10 0 CHAERO [NH3+]Cc1cncc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000091351615 180137432 /nfs/dbraw/zinc/13/74/32/180137432.db2.gz OZPLZVQCVPUUKZ-UHFFFAOYSA-N 1 0 253.132 3.514 10 0 CHAERO CCc1ccc2[nH]c(C)c(CCC[NH2+]C3CC3)c2c1 ZINC000107296260 186168210 /nfs/dbraw/zinc/16/82/10/186168210.db2.gz UTZIMTDFCDJUOW-UHFFFAOYSA-N 1 0 256.393 3.723 10 0 CHAERO CCC[NH2+]C[C@H](C)c1c(C)nc([C@H](C)CC)nc1C ZINC000111275456 186386192 /nfs/dbraw/zinc/38/61/92/186386192.db2.gz CFEAZAKQCVSLBM-NEPJUHHUSA-N 1 0 263.429 3.710 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1cccc2ccccc21 ZINC000083511090 535264024 /nfs/dbraw/zinc/26/40/24/535264024.db2.gz JQINNENDFSHWHV-KDOFPFPSSA-N 1 0 268.404 3.663 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](OCc2ccccc2)C1 ZINC000220175137 189722049 /nfs/dbraw/zinc/72/20/49/189722049.db2.gz FOGGNQPXSZOVTG-PMPSAXMXSA-N 1 0 261.409 3.745 10 0 CHAERO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000177741520 261367413 /nfs/dbraw/zinc/36/74/13/261367413.db2.gz GHCVPHQLOWQGAQ-NXEZZACHSA-N 1 0 261.818 3.867 10 0 CHAERO Cc1cccc(O[C@H]2CCCc3ccccc3[C@@H]2[NH3+])c1 ZINC000020549054 184535779 /nfs/dbraw/zinc/53/57/79/184535779.db2.gz YESUYZHTAQGKJY-ROUUACIJSA-N 1 0 267.372 3.779 10 0 CHAERO CC[C@H]1CCCC[C@@H]1n1cc(C[NH2+]CC(C)C)cn1 ZINC000070978600 184572321 /nfs/dbraw/zinc/57/23/21/184572321.db2.gz QIAJYJZIHQLKMC-HOTGVXAUSA-N 1 0 263.429 3.770 10 0 CHAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1CCCc2ccccc21 ZINC000036906822 134826310 /nfs/dbraw/zinc/82/63/10/134826310.db2.gz YWACZTRRPWWAIQ-ZDUSSCGKSA-N 1 0 292.835 3.854 10 0 CHAERO CC[C@@H]1CN(c2ccc(C(C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC000083441611 135021556 /nfs/dbraw/zinc/02/15/56/135021556.db2.gz CVOWKRSLFOHUHV-CVEARBPZSA-N 1 0 260.425 3.777 10 0 CHAERO CC[C@H]1CN(c2cc(C)cc(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083441818 135021886 /nfs/dbraw/zinc/02/18/86/135021886.db2.gz BRBZUHCMGZRWLE-RDJZCZTQSA-N 1 0 260.425 3.516 10 0 CHAERO CC(C)[C@H]1CN(c2ccc3ccccc3c2)[C@H](C)C[NH2+]1 ZINC000083511070 135025144 /nfs/dbraw/zinc/02/51/44/135025144.db2.gz BSPFIUMWGCMBLL-RDTXWAMCSA-N 1 0 268.404 3.663 10 0 CHAERO CC[C@@H]1CN(c2cccc3ccccc32)[C@H](CC)C[NH2+]1 ZINC000083511074 135025320 /nfs/dbraw/zinc/02/53/20/135025320.db2.gz DQKHPXQQGDYQBZ-HZPDHXFCSA-N 1 0 268.404 3.807 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1cccc2ccccc21 ZINC000083511078 135025827 /nfs/dbraw/zinc/02/58/27/135025827.db2.gz DQKHPXQQGDYQBZ-JKSUJKDBSA-N 1 0 268.404 3.807 10 0 CHAERO CCCCc1ccc(N2C[C@H](CC)[NH2+]C[C@@H]2CC)cc1 ZINC000083541904 135028017 /nfs/dbraw/zinc/02/80/17/135028017.db2.gz RXDCVZGISYUEQZ-IRXDYDNUSA-N 1 0 274.452 3.996 10 0 CHAERO CC[C@@H]1CN(c2ccccc2C(C)(C)C)[C@H](CC)C[NH2+]1 ZINC000083541908 135028144 /nfs/dbraw/zinc/02/81/44/135028144.db2.gz GGRLIUFRFRIIAN-HUUCEWRRSA-N 1 0 274.452 3.951 10 0 CHAERO CC(C)[C@@H]1CN(c2ccc(C(C)(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000083541839 135028246 /nfs/dbraw/zinc/02/82/46/135028246.db2.gz QNAIXGYWPQYJCO-YOEHRIQHSA-N 1 0 274.452 3.807 10 0 CHAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C)sc3C)C2)c1 ZINC000171529215 335068967 /nfs/dbraw/zinc/06/89/67/335068967.db2.gz RSPBFPPKZXJIAM-INIZCTEOSA-N 1 0 289.448 3.707 10 0 CHAERO CC[C@@H](N)[C@@H](c1ccc(C)s1)[NH+]1CCC(C)(C)CC1 ZINC000061818354 522649825 /nfs/dbraw/zinc/64/98/25/522649825.db2.gz RARGXZLIJZWFIY-HIFRSBDPSA-N 1 0 280.481 3.957 10 0 CHAERO CC1=[NH+]c2ccccc2C[C@H](c2ccccc2)N1C ZINC000001854320 169760473 /nfs/dbraw/zinc/76/04/73/169760473.db2.gz STDYWHYUOSSCBO-QGZVFWFLSA-N 1 0 250.345 3.966 10 0 in-man CHAERO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 ZINC000002014461 169767594 /nfs/dbraw/zinc/76/75/94/169767594.db2.gz MCKFQOREIHSXCC-YXJHDRRASA-N 1 0 273.420 4.000 10 0 CHAERO CCC[N@H+](CCc1ccccc1)CCc1cccc(O)c1 ZINC000005833398 170145355 /nfs/dbraw/zinc/14/53/55/170145355.db2.gz QUZUPTMNMJTYGL-UHFFFAOYSA-N 1 0 283.415 3.889 10 0 CHAERO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)c1ccccc1 ZINC000006160664 170179622 /nfs/dbraw/zinc/17/96/22/170179622.db2.gz KNXPHTZAXFZSJI-CQSZACIVSA-N 1 0 277.371 3.928 10 0 CHAERO Cc1ccc(-c2n[nH]cc2C[NH2+]C(C)(C)C)cc1C ZINC000010003161 170394764 /nfs/dbraw/zinc/39/47/64/170394764.db2.gz PNUPLXBNESXDRT-UHFFFAOYSA-N 1 0 257.381 3.582 10 0 CHAERO [NH3+][C@H](Cc1ccccc1F)Cc1ccccc1Cl ZINC000011600558 170425407 /nfs/dbraw/zinc/42/54/07/170425407.db2.gz CCARCYFLAOOEFY-ZDUSSCGKSA-N 1 0 263.743 3.592 10 0 CHAERO [NH3+]CCc1ccc(OCc2cccc3ccccc32)cc1 ZINC000011832688 170445045 /nfs/dbraw/zinc/44/50/45/170445045.db2.gz GMLHCTPSKWLXCA-UHFFFAOYSA-N 1 0 277.367 3.920 10 0 CHAERO COc1ccc(OC)c2c1CC[NH2+][C@@H]2c1ccc(C)c(C)c1 ZINC000019626407 170831993 /nfs/dbraw/zinc/83/19/93/170831993.db2.gz DWRQOGTZQUCUGN-LJQANCHMSA-N 1 0 297.398 3.556 10 0 CHAERO Cc1cc(O[C@@H](C[NH3+])c2ccc(F)cc2)ccc1Cl ZINC000019671600 170836117 /nfs/dbraw/zinc/83/61/17/170836117.db2.gz KCRZNIAVFWHKRD-HNNXBMFYSA-N 1 0 279.742 3.866 10 0 CHAERO FC(F)(F)c1ccccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000019726648 170845513 /nfs/dbraw/zinc/84/55/13/170845513.db2.gz XNOJWVBWUWWQKQ-HNNXBMFYSA-N 1 0 277.289 3.941 10 0 CHAERO C[NH2+]CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000019776850 170860657 /nfs/dbraw/zinc/86/06/57/170860657.db2.gz PVJJMTKLHHSLAV-UHFFFAOYSA-N 1 0 268.571 3.635 10 0 CHAERO COc1ccccc1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000019873708 170903119 /nfs/dbraw/zinc/90/31/19/170903119.db2.gz MCVAYYKUSWVDKD-SNVBAGLBSA-N 1 0 261.296 3.646 10 0 CHAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)ccc1O ZINC000019945631 170936385 /nfs/dbraw/zinc/93/63/85/170936385.db2.gz CMBKUPNPZQIIOQ-OUCADQQQSA-N 1 0 263.381 3.630 10 0 CHAERO CCc1ccc([C@H]([NH3+])Cc2ccc(OC)cc2)s1 ZINC000019970598 170953931 /nfs/dbraw/zinc/95/39/31/170953931.db2.gz UPBNZZSJXQZCTN-CQSZACIVSA-N 1 0 261.390 3.562 10 0 CHAERO CN(C[C@H]([NH3+])c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000020012611 170969244 /nfs/dbraw/zinc/96/92/44/170969244.db2.gz RLKIPKMNSFANCI-HNNXBMFYSA-N 1 0 294.320 3.842 10 0 CHAERO Cc1ccc([C@H](CN)[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000020081727 170986029 /nfs/dbraw/zinc/98/60/29/170986029.db2.gz QWSNCPJDHOGUHF-KRWDZBQOSA-N 1 0 260.425 3.568 10 0 CHAERO NC[C@H](c1cccc2ccccc21)[NH+]1CCCCCC1 ZINC000020081672 170986350 /nfs/dbraw/zinc/98/63/50/170986350.db2.gz NDHYEELIZDXADA-GOSISDBHSA-N 1 0 268.404 3.716 10 0 CHAERO COc1cc(C[NH2+][C@@H](C)c2ccccc2C)ccc1O ZINC000020126084 171009566 /nfs/dbraw/zinc/00/95/66/171009566.db2.gz RKSQIMJYBZLYFP-ZDUSSCGKSA-N 1 0 271.360 3.560 10 0 CHAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129349 171017162 /nfs/dbraw/zinc/01/71/62/171017162.db2.gz CTMBNTJVHVHCCU-ZFWWWQNUSA-N 1 0 274.433 3.702 10 0 CHAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129358 171017376 /nfs/dbraw/zinc/01/73/76/171017376.db2.gz PLJNDDORYZAITQ-KDOFPFPSSA-N 1 0 286.394 3.779 10 0 CHAERO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147837 171035068 /nfs/dbraw/zinc/03/50/68/171035068.db2.gz VQCPAWMPWJCXCZ-RYUDHWBXSA-N 1 0 259.324 3.943 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cccs1 ZINC000020148165 171036295 /nfs/dbraw/zinc/03/62/95/171036295.db2.gz CVSTVJSPYXMBEF-SECBINFHSA-N 1 0 253.317 3.877 10 0 CHAERO C=COCCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000020197194 171061451 /nfs/dbraw/zinc/06/14/51/171061451.db2.gz VHIPUYMOVARXPE-LLVKDONJSA-N 1 0 284.197 3.650 10 0 CHAERO CCOc1ccc([C@@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020226256 171091795 /nfs/dbraw/zinc/09/17/95/171091795.db2.gz RZOJSLJENHCKIX-GOSISDBHSA-N 1 0 290.451 3.597 10 0 CHAERO CC(C)CN(C)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020226715 171092352 /nfs/dbraw/zinc/09/23/52/171092352.db2.gz KEKHOKKQSOSCPB-GFCCVEGCSA-N 1 0 275.223 3.581 10 0 CHAERO CCCCCC[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000020361813 171160219 /nfs/dbraw/zinc/16/02/19/171160219.db2.gz NOVKQSRPKYIWNL-SFHVURJKSA-N 1 0 274.452 3.993 10 0 CHAERO CCCC[NH+](CCCC)[C@]1(CN)CCC[C@@H](C)C1 ZINC000020362692 171161587 /nfs/dbraw/zinc/16/15/87/171161587.db2.gz QTKWKJAEBOXCAF-HZPDHXFCSA-N 1 0 254.462 3.796 10 0 CHAERO [NH3+][C@@H](Cc1nc2ccccc2o1)c1cccc(Cl)c1 ZINC000020428051 171193619 /nfs/dbraw/zinc/19/36/19/171193619.db2.gz CZFUOTFRSRKANO-LBPRGKRZSA-N 1 0 272.735 3.724 10 0 CHAERO CC(C)Oc1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000020434835 171200453 /nfs/dbraw/zinc/20/04/53/171200453.db2.gz ZSOVTNJMQONBSR-INIZCTEOSA-N 1 0 259.324 3.661 10 0 CHAERO Cc1ccc([C@@H]([NH3+])c2ccc(OC(C)C)cc2)cc1 ZINC000020434864 171200876 /nfs/dbraw/zinc/20/08/76/171200876.db2.gz GCFZMXYUSAHGHQ-QGZVFWFLSA-N 1 0 255.361 3.830 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1Oc1ccc(C[NH3+])cc1F ZINC000020470049 171211740 /nfs/dbraw/zinc/21/17/40/171211740.db2.gz DZQSWPIZGLBUCG-OCCSQVGLSA-N 1 0 251.345 3.632 10 0 CHAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccccc1Cl ZINC000020470569 171212680 /nfs/dbraw/zinc/21/26/80/171212680.db2.gz GIDJRXJTNOQNCB-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO Cc1cccc(COc2c(C)cc(C[NH3+])cc2C)c1 ZINC000020470788 171213143 /nfs/dbraw/zinc/21/31/43/171213143.db2.gz RZCNHOPOTFKTFC-UHFFFAOYSA-N 1 0 255.361 3.650 10 0 CHAERO CCCC[NH+](CCCC)[C@]1(CN)CCCC[C@@H]1C ZINC000020484884 171224793 /nfs/dbraw/zinc/22/47/93/171224793.db2.gz MCYQKOPHGAZTHE-HOTGVXAUSA-N 1 0 254.462 3.796 10 0 CHAERO Cc1ccc([C@H]([NH3+])CO[C@@H]2CCC[C@@H](C)C2)cc1C ZINC000020513096 171231631 /nfs/dbraw/zinc/23/16/31/171231631.db2.gz VNSWZMKSUBNPOP-CSMYWGQOSA-N 1 0 261.409 3.899 10 0 CHAERO CCCCCCOc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020519708 171233640 /nfs/dbraw/zinc/23/36/40/171233640.db2.gz BSKHDIQACVMXKN-GFCCVEGCSA-N 1 0 251.370 3.674 10 0 CHAERO CCCCCC[C@@](C)(CN)[NH+]1CCCCCCC1 ZINC000020520459 171233953 /nfs/dbraw/zinc/23/39/53/171233953.db2.gz BSBJUMSBIFXEIG-INIZCTEOSA-N 1 0 254.462 3.940 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccc(C)c(F)c2)cc1Cl ZINC000020521861 171234906 /nfs/dbraw/zinc/23/49/06/171234906.db2.gz JHPZGXAYBYEWLA-HNNXBMFYSA-N 1 0 279.742 3.844 10 0 CHAERO COc1ccc([C@H]([NH3+])CC(C)(C)C)cc1Br ZINC000020522120 171235634 /nfs/dbraw/zinc/23/56/34/171235634.db2.gz CCNSUQKXSGERBP-LLVKDONJSA-N 1 0 286.213 3.894 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccccc2C)cc1Cl ZINC000020521921 171235694 /nfs/dbraw/zinc/23/56/94/171235694.db2.gz KYBMSDZHJFAGGL-HNNXBMFYSA-N 1 0 261.752 3.705 10 0 CHAERO CCC[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000020525232 171238142 /nfs/dbraw/zinc/23/81/42/171238142.db2.gz WHICTXRJLUWNGO-UHFFFAOYSA-N 1 0 262.180 3.762 10 0 CHAERO COc1cccc(O[C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000020548810 171245969 /nfs/dbraw/zinc/24/59/69/171245969.db2.gz AEXXLGOGRSCMQS-ROUUACIJSA-N 1 0 285.387 3.799 10 0 CHAERO COc1cccc(O[C@H](C(C)C)[C@H]([NH3+])c2ccccc2)c1 ZINC000020548813 171245985 /nfs/dbraw/zinc/24/59/85/171245985.db2.gz AEXXLGOGRSCMQS-QZTJIDSGSA-N 1 0 285.387 3.799 10 0 CHAERO CCCOc1ccc([C@H]([NH3+])CO[C@H](C)CC(C)C)cc1 ZINC000020549501 171246095 /nfs/dbraw/zinc/24/60/95/171246095.db2.gz SIYOBUSJMJHWGV-RHSMWYFYSA-N 1 0 279.424 3.926 10 0 CHAERO CC(C)Oc1ccc([C@@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000020553214 171248838 /nfs/dbraw/zinc/24/88/38/171248838.db2.gz HKIMEISSRDVBIU-MPGHIAIKSA-N 1 0 290.451 3.737 10 0 CHAERO Cc1ccc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000020561521 171252081 /nfs/dbraw/zinc/25/20/81/171252081.db2.gz JGHGIRSXNHGJIU-CWRNSKLLSA-N 1 0 261.409 3.916 10 0 CHAERO COc1ccccc1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020564069 171252951 /nfs/dbraw/zinc/25/29/51/171252951.db2.gz VIZZUGXJQYZCPS-UKRRQHHQSA-N 1 0 261.409 4.000 10 0 CHAERO Nc1c[nH+]ccc1Nc1cc(Cl)ccc1Cl ZINC000020584632 171258282 /nfs/dbraw/zinc/25/82/82/171258282.db2.gz DLVJLUSGLUQCMN-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO Nc1c[nH+]ccc1Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000020585159 171258618 /nfs/dbraw/zinc/25/86/18/171258618.db2.gz ZCDWDDQYIKSCFD-UHFFFAOYSA-N 1 0 273.339 3.979 10 0 CHAERO CCOc1ccccc1[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020587301 171259327 /nfs/dbraw/zinc/25/93/27/171259327.db2.gz JLHBGHKVXSRCOQ-KRWDZBQOSA-N 1 0 255.361 3.750 10 0 CHAERO COc1ccc(C[C@@H]([NH3+])c2ccc(C)c(C)c2)cc1 ZINC000020587389 171259513 /nfs/dbraw/zinc/25/95/13/171259513.db2.gz TVZDWZSVHBIHFJ-QGZVFWFLSA-N 1 0 255.361 3.555 10 0 CHAERO Cc1cc(F)ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595916 171264675 /nfs/dbraw/zinc/26/46/75/171264675.db2.gz JGADQEDISXQSOL-KRWDZBQOSA-N 1 0 284.378 3.821 10 0 CHAERO Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000020595759 171264703 /nfs/dbraw/zinc/26/47/03/171264703.db2.gz BZQNELLAFKHXQM-SFHVURJKSA-N 1 0 280.415 3.990 10 0 CHAERO CCCOc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCO1 ZINC000020930566 171280835 /nfs/dbraw/zinc/28/08/35/171280835.db2.gz PQMKUXXVCYTGBE-INIZCTEOSA-N 1 0 299.414 3.897 10 0 CHAERO CCN(CC)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000021027424 171291359 /nfs/dbraw/zinc/29/13/59/171291359.db2.gz XTTNPAFMIWCEKC-OAHLLOKOSA-N 1 0 262.441 3.802 10 0 CHAERO CC[C@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1cc(C)ccc1OC ZINC000021030147 171291582 /nfs/dbraw/zinc/29/15/82/171291582.db2.gz GORSDKLCBNDMHW-USXIJHARSA-N 1 0 291.435 3.989 10 0 CHAERO CN(CCC[NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000021041375 171293336 /nfs/dbraw/zinc/29/33/36/171293336.db2.gz ICQICKQUVOMUSD-LJQANCHMSA-N 1 0 280.415 3.790 10 0 CHAERO CCN(C[C@H]([NH3+])c1ccc(C)c(C)c1)c1ccccc1 ZINC000021057376 171295779 /nfs/dbraw/zinc/29/57/79/171295779.db2.gz UMWIMMDGZTUVIR-SFHVURJKSA-N 1 0 268.404 3.830 10 0 CHAERO CCC(CC)C[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000021062635 171297510 /nfs/dbraw/zinc/29/75/10/171297510.db2.gz IXKDCOVTLPZJSK-GOSISDBHSA-N 1 0 274.452 3.849 10 0 CHAERO Cc1ccccc1[C@@H]([NH3+])COc1c(C)cccc1C ZINC000021501605 171305675 /nfs/dbraw/zinc/30/56/75/171305675.db2.gz PCXKABWVNDFIPX-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO Cc1cc2ncn([C@@H]3CCCCCC[C@@H]3[NH3+])c2cc1C ZINC000021503195 171306329 /nfs/dbraw/zinc/30/63/29/171306329.db2.gz GSMOLNWKMXOKLS-GOEBONIOSA-N 1 0 271.408 3.876 10 0 CHAERO [NH3+][C@@H]1c2ccccc2CCC[C@@H]1Oc1ccc(F)cc1 ZINC000021505965 171307422 /nfs/dbraw/zinc/30/74/22/171307422.db2.gz PQLABYGEJPXEFW-DLBZAZTESA-N 1 0 271.335 3.609 10 0 CHAERO CC(C)C[C@@H](C)OC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000021509798 171309774 /nfs/dbraw/zinc/30/97/74/171309774.db2.gz XEVRJHAIMARUJI-IXRCJPEJSA-N 1 0 279.468 3.981 10 0 CHAERO CCN(CC)CC[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000021513475 171311410 /nfs/dbraw/zinc/31/14/10/171311410.db2.gz BEPHFUSCAGIFFA-MRXNPFEDSA-N 1 0 262.441 3.604 10 0 CHAERO CCC[NH+](CCC)[C@H](CN)c1c(C)cc(C)cc1C ZINC000021516177 171312557 /nfs/dbraw/zinc/31/25/57/171312557.db2.gz AUWPMVWROYGUIH-MRXNPFEDSA-N 1 0 262.441 3.734 10 0 CHAERO [NH3+][C@H](COc1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000021517097 171313353 /nfs/dbraw/zinc/31/33/53/171313353.db2.gz NHKFBVGMNGBTAJ-RBXDXQPVSA-N 1 0 289.394 3.748 10 0 CHAERO Cc1ccc(OC[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000021518215 171314578 /nfs/dbraw/zinc/31/45/78/171314578.db2.gz CILRNVMASIABBG-CHNSHAQVSA-N 1 0 285.431 3.918 10 0 CHAERO [NH3+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1Oc1ccccc1F ZINC000021799067 171325485 /nfs/dbraw/zinc/32/54/85/171325485.db2.gz CHQMKHUIFLRNBB-ZVZYQTTQSA-N 1 0 285.362 3.868 10 0 CHAERO CCCC[N@H+](C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N ZINC000021805929 171327511 /nfs/dbraw/zinc/32/75/11/171327511.db2.gz PJMYSKKNBDMNKX-SOUVJXGZSA-N 1 0 254.462 3.651 10 0 CHAERO CC(C)[C@H](Oc1ccccc1F)[C@H]([NH3+])c1ccccc1 ZINC000021814137 171331294 /nfs/dbraw/zinc/33/12/94/171331294.db2.gz BXYMXBDTTRMTDG-SJORKVTESA-N 1 0 273.351 3.929 10 0 CHAERO [NH3+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Oc1cccc(F)c1 ZINC000021816979 171332963 /nfs/dbraw/zinc/33/29/63/171332963.db2.gz ZXQIHKUCXVZDKW-QGTPRVQTSA-N 1 0 285.362 3.868 10 0 CHAERO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OC(F)F ZINC000021962953 171343011 /nfs/dbraw/zinc/34/30/11/171343011.db2.gz WOKKCNYOWNFHHE-UHFFFAOYSA-N 1 0 273.323 3.575 10 0 CHAERO CC(C)C[C@@H]1CN(Cc2ccccc2)[C@@H](C(C)C)C[NH2+]1 ZINC000021986734 171345714 /nfs/dbraw/zinc/34/57/14/171345714.db2.gz NQWRSIHHMWCWNV-QZTJIDSGSA-N 1 0 274.452 3.531 10 0 CHAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000022149369 171358108 /nfs/dbraw/zinc/35/81/08/171358108.db2.gz KOICOJOUPQQHKT-ZBFHGGJFSA-N 1 0 253.430 3.894 10 0 CHAERO CC(C)c1cccc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000022151010 171358455 /nfs/dbraw/zinc/35/84/55/171358455.db2.gz JWEIKAWHBVPCMV-ROUUACIJSA-N 1 0 267.372 3.814 10 0 CHAERO CC(C)c1cccc(O[C@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000022151017 171358510 /nfs/dbraw/zinc/35/85/10/171358510.db2.gz JWEIKAWHBVPCMV-ZWKOTPCHSA-N 1 0 267.372 3.814 10 0 CHAERO COc1ccc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000022153315 171360362 /nfs/dbraw/zinc/36/03/62/171360362.db2.gz KIQZUWHHZCZJMM-VBNZEHGJSA-N 1 0 277.408 3.616 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(OCCc2ccccc2)cc1 ZINC000022161737 171364142 /nfs/dbraw/zinc/36/41/42/171364142.db2.gz BBDDYYLCURXSAQ-QGZVFWFLSA-N 1 0 255.361 3.718 10 0 CHAERO Cc1cccc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000022223860 171379681 /nfs/dbraw/zinc/37/96/81/171379681.db2.gz WOBFPHQMVWUMSO-GFCCVEGCSA-N 1 0 269.348 3.659 10 0 CHAERO [NH3+][C@@H]1c2ccccc2CCC[C@H]1n1cnc2ccccc21 ZINC000022566332 171392696 /nfs/dbraw/zinc/39/26/96/171392696.db2.gz PQJNXJRFBMYEMX-QZTJIDSGSA-N 1 0 277.371 3.614 10 0 CHAERO CN1CC[NH+]([C@@H]2C[C@@H](c3ccccc3)c3ccccc32)CC1 ZINC000022778646 171398715 /nfs/dbraw/zinc/39/87/15/171398715.db2.gz PBNIVFQAAKTXAH-VQTJNVASSA-N 1 0 292.426 3.511 10 0 CHAERO CCc1ccc([C@@H](CN)[NH+](CC(C)C)CC(C)C)cc1 ZINC000032054497 171693542 /nfs/dbraw/zinc/69/35/42/171693542.db2.gz ISFICFFPMUCQJH-GOSISDBHSA-N 1 0 276.468 3.863 10 0 CHAERO [NH3+]CCC[C@@H](Oc1ccccc1)c1ccc(F)cc1 ZINC000032111080 171703576 /nfs/dbraw/zinc/70/35/76/171703576.db2.gz YBYYAZLCBZOTAI-MRXNPFEDSA-N 1 0 259.324 3.685 10 0 CHAERO CC[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000033435579 171796848 /nfs/dbraw/zinc/79/68/48/171796848.db2.gz GLRWCANIEGUHAE-UHFFFAOYSA-N 1 0 255.361 3.684 10 0 CHAERO Clc1ccc(Cl)c(SC2CC[NH2+]CC2)c1 ZINC000034103803 171831447 /nfs/dbraw/zinc/83/14/47/171831447.db2.gz IYUNHIYIELIPBY-UHFFFAOYSA-N 1 0 262.205 3.838 10 0 CHAERO CC[NH2+]Cc1ccc(-c2cc(F)ccc2F)s1 ZINC000034671045 171856988 /nfs/dbraw/zinc/85/69/88/171856988.db2.gz RKUHKRYGACZGNS-UHFFFAOYSA-N 1 0 253.317 3.803 10 0 CHAERO CCOc1cccc(C[NH2+]C2CCCCC2)c1OC ZINC000034990826 171917086 /nfs/dbraw/zinc/91/70/86/171917086.db2.gz IXCQOVZEAGXMLN-UHFFFAOYSA-N 1 0 263.381 3.516 10 0 CHAERO Fc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1F ZINC000034993453 171921737 /nfs/dbraw/zinc/92/17/37/171921737.db2.gz DIVZIZSJQDCYGQ-UHFFFAOYSA-N 1 0 277.358 3.879 10 0 CHAERO CCC1CCC(CN)([N@H+](C)C2CCCCC2)CC1 ZINC000035176679 172029502 /nfs/dbraw/zinc/02/95/02/172029502.db2.gz VTPRNMKMRGPVNK-UHFFFAOYSA-N 1 0 252.446 3.549 10 0 CHAERO CCC1CCC(C[NH3+])(N2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000035176782 172030191 /nfs/dbraw/zinc/03/01/91/172030191.db2.gz SOTNKJOJAIMXAM-QLOLRVAOSA-N 1 0 278.484 3.796 10 0 CHAERO CC(C)c1ccc([C@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000035206609 172051168 /nfs/dbraw/zinc/05/11/68/172051168.db2.gz GCZQQVBFVBQVGG-LJQANCHMSA-N 1 0 282.431 3.942 10 0 CHAERO CCc1ccc([C@H]2C[NH2+]C[C@H](c3ccccc3)O2)cc1 ZINC000035285532 172103371 /nfs/dbraw/zinc/10/33/71/172103371.db2.gz DOJAXGUFIDYWLG-QZTJIDSGSA-N 1 0 267.372 3.651 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccsc2)cc1Br ZINC000035381637 172164147 /nfs/dbraw/zinc/16/41/47/172164147.db2.gz ALRKMDCGUZXLHI-GFCCVEGCSA-N 1 0 298.205 3.567 10 0 CHAERO Cc1ccsc1[C@@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000035382001 172164671 /nfs/dbraw/zinc/16/46/71/172164671.db2.gz ODHLVXCDVCMDEF-ZDUSSCGKSA-N 1 0 295.791 3.529 10 0 CHAERO Cc1occc1[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000035382436 172165653 /nfs/dbraw/zinc/16/56/53/172165653.db2.gz DDISFUBTXXPROK-LBPRGKRZSA-N 1 0 256.132 3.943 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(F)cc(F)c1 ZINC000035459065 172208480 /nfs/dbraw/zinc/20/84/80/172208480.db2.gz AUKVFTMLDZDENY-CYBMUJFWSA-N 1 0 253.317 3.644 10 0 CHAERO CCc1ccc([C@@H](Cc2cccc(F)c2)[NH2+]C)s1 ZINC000035460848 172208997 /nfs/dbraw/zinc/20/89/97/172208997.db2.gz NICJPOJWFKTJJH-CQSZACIVSA-N 1 0 263.381 3.953 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2cc(F)cc(F)c2)s1 ZINC000035460891 172209528 /nfs/dbraw/zinc/20/95/28/172209528.db2.gz CDEQRQSFADJLDM-AWEZNQCLSA-N 1 0 267.344 3.898 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(F)cc1Cl ZINC000035463782 172211876 /nfs/dbraw/zinc/21/18/76/172211876.db2.gz CSQKWNALCFOCMZ-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000035463705 172211919 /nfs/dbraw/zinc/21/19/19/172211919.db2.gz MBIMUGKETLJEBE-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000035464489 172212280 /nfs/dbraw/zinc/21/22/80/172212280.db2.gz VNFXUNARIIDYIS-HNNXBMFYSA-N 1 0 261.752 3.657 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1OC ZINC000035464544 172212443 /nfs/dbraw/zinc/21/24/43/172212443.db2.gz BNLZVIXYUAEYKW-OAHLLOKOSA-N 1 0 261.752 3.657 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2cc(F)ccc2F)cc1 ZINC000035468671 172218944 /nfs/dbraw/zinc/21/89/44/172218944.db2.gz MXGPHEMITRJLIN-MRXNPFEDSA-N 1 0 261.315 3.836 10 0 CHAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1cccs1 ZINC000035487867 172222703 /nfs/dbraw/zinc/22/27/03/172222703.db2.gz XDNNJCUNMVRVOI-GFCCVEGCSA-N 1 0 251.782 3.905 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1F ZINC000035488013 172223244 /nfs/dbraw/zinc/22/32/44/172223244.db2.gz DXDOHOXTJMPURC-LBPRGKRZSA-N 1 0 255.745 3.849 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(Br)o2)cc1 ZINC000035494879 172227953 /nfs/dbraw/zinc/22/79/53/172227953.db2.gz RUDWYUKLKGJFPT-CQSZACIVSA-N 1 0 294.192 3.913 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cc(F)cc(F)c1 ZINC000035497651 172231635 /nfs/dbraw/zinc/23/16/35/172231635.db2.gz MCKUUOXSQFDNDF-CQSZACIVSA-N 1 0 267.344 3.952 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1OC ZINC000035498366 172231980 /nfs/dbraw/zinc/23/19/80/172231980.db2.gz CLYVYRZJJBBTFD-ZDUSSCGKSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@@H](c1csc2ccccc21)c1cccnc1 ZINC000035499590 172232768 /nfs/dbraw/zinc/23/27/68/172232768.db2.gz WQSKAGTVCWXQLG-OAHLLOKOSA-N 1 0 254.358 3.605 10 0 CHAERO CCOc1cc(Cl)c([C@@H](CC)[NH2+]C)cc1OCC ZINC000035501057 172235022 /nfs/dbraw/zinc/23/50/22/172235022.db2.gz BJOLYDDECISAAD-GFCCVEGCSA-N 1 0 271.788 3.808 10 0 CHAERO CCCCC1CCC([C@H](Cc2ncc[nH]2)[NH2+]C)CC1 ZINC000035503891 172237199 /nfs/dbraw/zinc/23/71/99/172237199.db2.gz AIBBWQYIKOJTCW-NRXISQOPSA-N 1 0 263.429 3.537 10 0 CHAERO C[NH2+][C@@H](CC(C)(C)C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507270 172239825 /nfs/dbraw/zinc/23/98/25/172239825.db2.gz UEZFTHIMZXSZKA-ZDUSSCGKSA-N 1 0 280.799 3.531 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(OC)cc1 ZINC000035510331 172241767 /nfs/dbraw/zinc/24/17/67/172241767.db2.gz MCFDQLGTTBCSNK-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@@H](c1ccccc1)c1cncc(Br)c1 ZINC000035540487 172246945 /nfs/dbraw/zinc/24/69/45/172246945.db2.gz FRBNUBCAAVXAQS-AWEZNQCLSA-N 1 0 291.192 3.543 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)cc1C ZINC000035543324 172250796 /nfs/dbraw/zinc/25/07/96/172250796.db2.gz RNIAZOIUZOXOBV-GFCCVEGCSA-N 1 0 261.287 3.607 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1c(F)cccc1F ZINC000035545516 172253862 /nfs/dbraw/zinc/25/38/62/172253862.db2.gz DRXSIEHSBFHTJP-ZDUSSCGKSA-N 1 0 253.317 3.725 10 0 CHAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(OC)cc1OC ZINC000035546050 172254350 /nfs/dbraw/zinc/25/43/50/172254350.db2.gz NECRPDZYWOCAQM-MLGOLLRUSA-N 1 0 265.397 3.791 10 0 CHAERO CCCCC[C@@H]([NH2+]CC)c1ccc(OC)cc1OC ZINC000035546030 172254429 /nfs/dbraw/zinc/25/44/29/172254429.db2.gz LUIOVXNXQCELRP-OAHLLOKOSA-N 1 0 265.397 3.935 10 0 CHAERO CC[NH2+][C@@H](c1cc(F)ccc1OC)C1CCCC1 ZINC000035554767 172260784 /nfs/dbraw/zinc/26/07/84/172260784.db2.gz OKMVOKYCTRPGSF-OAHLLOKOSA-N 1 0 251.345 3.675 10 0 CHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(OC)c(C)c1 ZINC000035571361 172267087 /nfs/dbraw/zinc/26/70/87/172267087.db2.gz WPDMTAXJLJFKAY-MRXNPFEDSA-N 1 0 259.349 3.604 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc(OC)c(C)c1 ZINC000035571363 172267665 /nfs/dbraw/zinc/26/76/65/172267665.db2.gz NKAPPMDUBPCERY-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1ccc(OC)c(C)c1 ZINC000035571320 172267715 /nfs/dbraw/zinc/26/77/15/172267715.db2.gz GWNGHNRJHIKLOT-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@H](CCC(C)C)c1ccc(OC)c(F)c1 ZINC000035572183 172267988 /nfs/dbraw/zinc/26/79/88/172267988.db2.gz YVYVLNVDCLJSTA-CQSZACIVSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@H](c1ccc(CCC)cc1)[C@@H]1CCCO1 ZINC000035582863 172281034 /nfs/dbraw/zinc/28/10/34/172281034.db2.gz RBPKAHWOCXHYRX-DLBZAZTESA-N 1 0 261.409 3.859 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000035583672 172282385 /nfs/dbraw/zinc/28/23/85/172282385.db2.gz GXIUZCOIDHSDDZ-BXKDBHETSA-N 1 0 259.802 3.621 10 0 CHAERO CCC[NH2+][C@H](c1ccsc1)c1cc(F)ccc1OC ZINC000035583835 172282478 /nfs/dbraw/zinc/28/24/78/172282478.db2.gz KWRBOVOAYYGCEQ-OAHLLOKOSA-N 1 0 279.380 3.985 10 0 CHAERO CCCC[C@@H](CC)[C@H]([NH2+]CCC)c1cnn(C)c1 ZINC000035584158 172283523 /nfs/dbraw/zinc/28/35/23/172283523.db2.gz NKKODNRLEYPESO-HIFRSBDPSA-N 1 0 251.418 3.677 10 0 CHAERO CCC[NH2+][C@H](CC)c1cc(OC)c(OC)cc1Cl ZINC000035584692 172284289 /nfs/dbraw/zinc/28/42/89/172284289.db2.gz UXCRVYFUXAJPEL-GFCCVEGCSA-N 1 0 271.788 3.808 10 0 CHAERO Cc1cc(Br)c2c(c1)[C@H]([NH2+]C(C)C)CCO2 ZINC000035653806 172330582 /nfs/dbraw/zinc/33/05/82/172330582.db2.gz NWXDGXKCBMRMBL-GFCCVEGCSA-N 1 0 284.197 3.579 10 0 CHAERO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)Cc2cccs2)C1 ZINC000035717213 172371148 /nfs/dbraw/zinc/37/11/48/172371148.db2.gz WGICFRHCUJGLFN-BBRMVZONSA-N 1 0 280.481 3.724 10 0 CHAERO CN(Cc1cccs1)C1(C[NH3+])CCCCCCC1 ZINC000035717185 172371481 /nfs/dbraw/zinc/37/14/81/172371481.db2.gz KNDDXNDKUGTVLE-UHFFFAOYSA-N 1 0 266.454 3.622 10 0 CHAERO [NH3+]Cc1ccc(Sc2ccc3c(c2)CCC3)cc1 ZINC000035720262 172374719 /nfs/dbraw/zinc/37/47/19/172374719.db2.gz LCLYYMOEGWBYEZ-UHFFFAOYSA-N 1 0 255.386 3.785 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](SCCOC)C1 ZINC000035721946 172377630 /nfs/dbraw/zinc/37/76/30/172377630.db2.gz NVDRFEGCJHSGIG-BFHYXJOUSA-N 1 0 273.486 3.546 10 0 CHAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2cc(F)ccc2F)C1 ZINC000035724990 172380107 /nfs/dbraw/zinc/38/01/07/172380107.db2.gz MXIQJEZRZLVBAF-GIPNMCIBSA-N 1 0 271.376 3.820 10 0 CHAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738442 172391425 /nfs/dbraw/zinc/39/14/25/172391425.db2.gz FDUJVSVJSRYWRR-STQMWFEESA-N 1 0 259.349 3.570 10 0 CHAERO CC[NH2+][C@@H]1c2cc(Cl)cc(Cl)c2OC[C@H]1C ZINC000035754491 172396247 /nfs/dbraw/zinc/39/62/47/172396247.db2.gz SFLUBERQXYUBKM-HQJQHLMTSA-N 1 0 260.164 3.673 10 0 CHAERO CCC[NH2+][C@@H]1C[C@@H](C)Sc2ccc(OC)cc21 ZINC000035760777 172399173 /nfs/dbraw/zinc/39/91/73/172399173.db2.gz MKUQBXBVEAYPBK-ZWNOBZJWSA-N 1 0 251.395 3.620 10 0 CHAERO CCC[NH2+][C@H]1c2cc3c(cc2SC[C@@H]1C)CCC3 ZINC000035761084 172399477 /nfs/dbraw/zinc/39/94/77/172399477.db2.gz HMWPOHMASILDJN-MEDUHNTESA-N 1 0 261.434 3.958 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]C2CC2)c2cc3c(cc2S1)CCC3 ZINC000035761118 172399563 /nfs/dbraw/zinc/39/95/63/172399563.db2.gz OPIMRAVTYWZHSI-MEBBXXQBSA-N 1 0 259.418 3.853 10 0 CHAERO CCC[NH2+]CCOc1ccc(-c2ccccc2)cc1 ZINC000036230598 172527565 /nfs/dbraw/zinc/52/75/65/172527565.db2.gz JOJSHGSEDVJEBS-UHFFFAOYSA-N 1 0 255.361 3.732 10 0 CHAERO C[C@H]([NH3+])c1ccc(Oc2ccc(F)c(F)c2)c(F)c1 ZINC000036750034 172676773 /nfs/dbraw/zinc/67/67/73/172676773.db2.gz XKCDCYQZIIJYRS-QMMMGPOBSA-N 1 0 267.250 3.916 10 0 CHAERO COc1ccc([C@@H]([NH3+])CCC2CCCC2)c(F)c1 ZINC000036766393 172684473 /nfs/dbraw/zinc/68/44/73/172684473.db2.gz CKDKFSZCZDIZIF-HNNXBMFYSA-N 1 0 251.345 3.805 10 0 CHAERO CCC[NH2+][C@H](c1ccc(OC)cc1F)[C@H]1C[C@@H]1C ZINC000036767186 172685603 /nfs/dbraw/zinc/68/56/03/172685603.db2.gz FRGFVPVZDXPAJJ-VZJVUDMVSA-N 1 0 251.345 3.531 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)cc1Cl)C1CC1 ZINC000036768704 172685982 /nfs/dbraw/zinc/68/59/82/172685982.db2.gz LWLQUMQIIYAWPB-CQSZACIVSA-N 1 0 253.773 3.799 10 0 CHAERO Cc1ccc(Sc2ccc(C(N)=[NH2+])cc2F)c(C)c1 ZINC000036888170 172783016 /nfs/dbraw/zinc/78/30/16/172783016.db2.gz GFCRJAJRAKTJRR-UHFFFAOYSA-N 1 0 274.364 3.878 10 0 CHAERO CCOc1cc(Cl)c([C@@H]([NH3+])CC)cc1OCC ZINC000036926293 172809153 /nfs/dbraw/zinc/80/91/53/172809153.db2.gz GWYYDAMIODZZIX-NSHDSACASA-N 1 0 257.761 3.547 10 0 CHAERO CC[C@@H](C)C[N@H+](C)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000037172626 173006589 /nfs/dbraw/zinc/00/65/89/173006589.db2.gz WHTIGWOYEGPSFB-PBHICJAKSA-N 1 0 262.441 3.788 10 0 CHAERO CC[C@H](C)c1ccccc1O[C@H](CC[NH3+])C(F)(F)F ZINC000037179260 173012823 /nfs/dbraw/zinc/01/28/23/173012823.db2.gz FODKJZIXYQRHHE-GXFFZTMASA-N 1 0 275.314 3.859 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2)c(C)n1 ZINC000037187737 173018105 /nfs/dbraw/zinc/01/81/05/173018105.db2.gz DYPHNTPDFIGZBA-CQSZACIVSA-N 1 0 254.377 3.858 10 0 CHAERO CCCN(c1ccc(F)cc1C[NH2+]CC)C(C)C ZINC000037236648 173054174 /nfs/dbraw/zinc/05/41/74/173054174.db2.gz RRMVSJJRSJNSCW-UHFFFAOYSA-N 1 0 252.377 3.560 10 0 CHAERO Fc1ccc(Oc2ccccc2)c(C[NH2+]C2CC2)c1 ZINC000037237766 173055500 /nfs/dbraw/zinc/05/55/00/173055500.db2.gz GMJXUYUZMTYFNJ-UHFFFAOYSA-N 1 0 257.308 3.870 10 0 CHAERO C[NH2+][C@H](Cc1ccsc1)c1nc2ccccc2s1 ZINC000037239464 173056389 /nfs/dbraw/zinc/05/63/89/173056389.db2.gz GDDBBUVXVAOBRU-GFCCVEGCSA-N 1 0 274.414 3.861 10 0 CHAERO Cc1ncsc1[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037303494 173108733 /nfs/dbraw/zinc/10/87/33/173108733.db2.gz LETHOSYPAFZJBO-AAEUAGOBSA-N 1 0 274.389 3.626 10 0 CHAERO CN(Cc1cccc(F)c1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000037328340 173129359 /nfs/dbraw/zinc/12/93/59/173129359.db2.gz LSNYLJILCAQQCS-LBPRGKRZSA-N 1 0 298.814 3.672 10 0 CHAERO CC[C@H](C(=O)c1ccccc1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000037331872 173133879 /nfs/dbraw/zinc/13/38/79/173133879.db2.gz QGYKWSOFMCWJIP-OFQRWUPVSA-N 1 0 259.393 3.626 10 0 CHAERO CSc1ccc(C(=O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000037333499 173134101 /nfs/dbraw/zinc/13/41/01/173134101.db2.gz ATJNUGOKJOHJLU-CHWSQXEVSA-N 1 0 277.433 3.854 10 0 CHAERO CCc1ccc(C(=O)[C@H](C)[N@H+](CC)CC(C)C)cc1 ZINC000037336416 173137899 /nfs/dbraw/zinc/13/78/99/173137899.db2.gz LWJCPDGGPJQWFU-AWEZNQCLSA-N 1 0 261.409 3.798 10 0 CHAERO CC[N@H+]([C@H](C)C(=O)c1ccc(F)cc1)C1CCCC1 ZINC000037337421 173138499 /nfs/dbraw/zinc/13/84/99/173138499.db2.gz LIXPNAKKIYQMFO-GFCCVEGCSA-N 1 0 263.356 3.661 10 0 CHAERO CC(C)[NH2+]CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000037396330 173176840 /nfs/dbraw/zinc/17/68/40/173176840.db2.gz UFORWNBIUGBGTP-UHFFFAOYSA-N 1 0 288.338 3.856 10 0 CHAERO CCCCN(C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424813 173199312 /nfs/dbraw/zinc/19/93/12/173199312.db2.gz SLZHYEKWLHUPSZ-CYBMUJFWSA-N 1 0 275.223 3.725 10 0 CHAERO CC[NH2+]CCOc1cc(C(C)C)c(Cl)cc1C ZINC000037429163 173200028 /nfs/dbraw/zinc/20/00/28/173200028.db2.gz NFSKAMOEFJLQBV-UHFFFAOYSA-N 1 0 255.789 3.760 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@H]([NH3+])CCSC ZINC000037438321 173208686 /nfs/dbraw/zinc/20/86/86/173208686.db2.gz GBRAUHBVJDHAKC-GFCCVEGCSA-N 1 0 277.437 3.508 10 0 CHAERO Cc1ccc2c(c1)nc([C@@H]([NH3+])C(C)(C)C)n2C(C)C ZINC000037438486 173208783 /nfs/dbraw/zinc/20/87/83/173208783.db2.gz QQXUHSPTWKPYNH-CQSZACIVSA-N 1 0 259.397 3.972 10 0 CHAERO CC[C@H](C)[C@@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439744 173209856 /nfs/dbraw/zinc/20/98/56/173209856.db2.gz NZAYMQPRHSHBNT-IINYFYTJSA-N 1 0 263.360 3.802 10 0 CHAERO CCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1CC ZINC000037440397 173210173 /nfs/dbraw/zinc/21/01/73/173210173.db2.gz FNKAZCCGSRGSMI-SNVBAGLBSA-N 1 0 251.761 3.510 10 0 CHAERO C[NH2+][C@@H](c1cccc(Br)c1)C1CCCC1 ZINC000037467853 173227435 /nfs/dbraw/zinc/22/74/35/173227435.db2.gz CMIYBGMQQLGDGV-CYBMUJFWSA-N 1 0 268.198 3.900 10 0 CHAERO C[C@@]([NH3+])(Cc1cccc(Cl)c1)c1ccccc1F ZINC000037531240 173253446 /nfs/dbraw/zinc/25/34/46/173253446.db2.gz HCTBLSJZHZNBQF-OAHLLOKOSA-N 1 0 263.743 3.896 10 0 CHAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000037535246 173254211 /nfs/dbraw/zinc/25/42/11/173254211.db2.gz QQVYLYDDTABRRE-CVEARBPZSA-N 1 0 281.827 3.820 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000037535245 173254441 /nfs/dbraw/zinc/25/44/41/173254441.db2.gz QQVYLYDDTABRRE-HOTGVXAUSA-N 1 0 281.827 3.820 10 0 CHAERO CC(C)[NH2+]Cc1nc2cc(Cl)ccc2n1C1CC1 ZINC000037599851 173553281 /nfs/dbraw/zinc/55/32/81/173553281.db2.gz GFQFLIMNIKFUJT-UHFFFAOYSA-N 1 0 263.772 3.523 10 0 CHAERO CC(C)(C)[NH2+]CCc1nc2cccc(Cl)c2s1 ZINC000037605072 173553724 /nfs/dbraw/zinc/55/37/24/173553724.db2.gz ZSLCNFKRMXCSMG-UHFFFAOYSA-N 1 0 268.813 3.880 10 0 CHAERO CCCOc1ccc(C[C@H](C)[NH3+])c(O[C@@H](C)CC)c1 ZINC000037722188 173640384 /nfs/dbraw/zinc/64/03/84/173640384.db2.gz OMLJWSFFPDFUPC-STQMWFEESA-N 1 0 265.397 3.542 10 0 CHAERO CCC[NH+]1CCC(Nc2c(C)cc(C)cc2C)CC1 ZINC000037763576 173690487 /nfs/dbraw/zinc/69/04/87/173690487.db2.gz XVFYYDOWFSIHLP-UHFFFAOYSA-N 1 0 260.425 3.898 10 0 CHAERO CCC1CCC(C[NH2+][C@H](C)CC(C)(C)OC)CC1 ZINC000037905206 173837713 /nfs/dbraw/zinc/83/77/13/173837713.db2.gz UVCVBHHOLZMIMN-WLYUNCDWSA-N 1 0 255.446 3.996 10 0 CHAERO CCC[NH2+][C@@H](CCc1ccc(OC)c(F)c1)C(C)C ZINC000037949087 173889296 /nfs/dbraw/zinc/88/92/96/173889296.db2.gz DBQYJMCFHCIYGW-HNNXBMFYSA-N 1 0 267.388 3.791 10 0 CHAERO CC[C@@H](Cc1ccc(F)cc1Br)[C@H](C)[NH3+] ZINC000038004468 173966702 /nfs/dbraw/zinc/96/67/02/173966702.db2.gz LCUZQVXVKALPQX-IUCAKERBSA-N 1 0 274.177 3.504 10 0 CHAERO C[C@@H](C[NH2+][C@H]1CCCCc2ccccc21)N1CCCCC1 ZINC000038028452 174017381 /nfs/dbraw/zinc/01/73/81/174017381.db2.gz NTAWSZCQDQDCCD-LPHOPBHVSA-N 1 0 286.463 3.918 10 0 CHAERO CCn1c2cccc(F)c2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036845 174036871 /nfs/dbraw/zinc/03/68/71/174036871.db2.gz NNBYVATUAFLAKM-AWEZNQCLSA-N 1 0 275.371 3.775 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc2c(c1)CCCO2 ZINC000038057887 174068172 /nfs/dbraw/zinc/06/81/72/174068172.db2.gz KRXWHWPGUKDDLU-HNNXBMFYSA-N 1 0 273.401 3.690 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000038058114 174068713 /nfs/dbraw/zinc/06/87/13/174068713.db2.gz VCRUQZPZHIGBPI-LBPRGKRZSA-N 1 0 273.298 3.615 10 0 CHAERO CC[C@@H](C)[NH2+][C@@]1(C(=O)OC)CCCC[C@@H]1C(C)(C)C ZINC000038066636 174078190 /nfs/dbraw/zinc/07/81/90/174078190.db2.gz ORMOMRQPMDMSRM-IOASZLSFSA-N 1 0 269.429 3.523 10 0 CHAERO CC[NH2+]Cc1cc(-c2cc(F)cc(F)c2)ccc1F ZINC000038070256 174081381 /nfs/dbraw/zinc/08/13/81/174081381.db2.gz GNZCDHRZRVEENZ-UHFFFAOYSA-N 1 0 265.278 3.880 10 0 CHAERO CCC[NH2+]Cc1ccccc1-c1ccccc1OC ZINC000038070444 174081624 /nfs/dbraw/zinc/08/16/24/174081624.db2.gz ZUKIIIBPIZRVME-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO C[NH2+]Cc1cc(-c2cc(F)ccc2C)ccc1OC ZINC000038070876 174081939 /nfs/dbraw/zinc/08/19/39/174081939.db2.gz OWIIBFLYRKHVKG-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2cnn(-c3ccccc3)c2)cc1 ZINC000038073223 174083207 /nfs/dbraw/zinc/08/32/07/174083207.db2.gz YRIORUZNVYVNMF-CQSZACIVSA-N 1 0 277.371 3.820 10 0 CHAERO C[NH2+][C@@H](C)c1ccccc1-c1ccc(OC)cc1C ZINC000038072719 174083307 /nfs/dbraw/zinc/08/33/07/174083307.db2.gz JGADJHCQZJYWEC-ZDUSSCGKSA-N 1 0 255.361 3.951 10 0 CHAERO C[NH2+]Cc1ccc(F)c(-c2ccc(OC)c(Cl)c2)c1 ZINC000038073307 174083384 /nfs/dbraw/zinc/08/33/84/174083384.db2.gz QXRBUTRIOYHXBR-UHFFFAOYSA-N 1 0 279.742 3.874 10 0 CHAERO CCC[NH2+][C@H](CC)c1cccc(-c2cnn(C)c2)c1 ZINC000038073123 174083454 /nfs/dbraw/zinc/08/34/54/174083454.db2.gz LNQGOVNHNWBMSL-MRXNPFEDSA-N 1 0 257.381 3.538 10 0 CHAERO CC[C@H]([NH3+])c1ccc(-c2cc(F)ccc2OC)cc1 ZINC000038073377 174083500 /nfs/dbraw/zinc/08/35/00/174083500.db2.gz KMNDRUIVYOQOGH-HNNXBMFYSA-N 1 0 259.324 3.911 10 0 CHAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000038087351 174099438 /nfs/dbraw/zinc/09/94/38/174099438.db2.gz PHNMEPOVFGIWHZ-DGCLKSJQSA-N 1 0 276.449 3.810 10 0 CHAERO C[C@@H](C[NH2+][C@@H](Cc1cccs1)c1cccs1)N(C)C ZINC000038087459 174099496 /nfs/dbraw/zinc/09/94/96/174099496.db2.gz ZAKVZKSYHILRPZ-JSGCOSHPSA-N 1 0 294.489 3.633 10 0 CHAERO [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCCCC1 ZINC000039142612 174164175 /nfs/dbraw/zinc/16/41/75/174164175.db2.gz XSNJWNYBKDEADW-AWEZNQCLSA-N 1 0 287.234 3.869 10 0 CHAERO CC(C)c1ccc([C@H](C[NH3+])N2CCC(C)CC2)cc1 ZINC000039142599 174164595 /nfs/dbraw/zinc/16/45/95/174164595.db2.gz COHHSDLBASTHGD-KRWDZBQOSA-N 1 0 260.425 3.542 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH3+])CN2Cc1cccc(Cl)c1 ZINC000039941610 174175930 /nfs/dbraw/zinc/17/59/30/174175930.db2.gz TXWSOONVYAJMPT-OAHLLOKOSA-N 1 0 272.779 3.668 10 0 CHAERO CC(C)(C)C[C@H]([NH3+])c1ccc(Br)s1 ZINC000040236333 174212099 /nfs/dbraw/zinc/21/20/99/174212099.db2.gz LWZGUMXJJIXHHU-ZETCQYMHSA-N 1 0 262.216 3.947 10 0 CHAERO CC[NH+](CC)CCn1c2ccccc2nc1-c1ccco1 ZINC000040389763 174252427 /nfs/dbraw/zinc/25/24/27/174252427.db2.gz GGMUYAAOWVPDAD-UHFFFAOYSA-N 1 0 283.375 3.638 10 0 CHAERO CCC[NH2+]Cc1cnc(-c2cccc(OCC)c2)s1 ZINC000040996686 174446819 /nfs/dbraw/zinc/44/68/19/174446819.db2.gz WGIUPSMEBDRTDS-UHFFFAOYSA-N 1 0 276.405 3.708 10 0 CHAERO [NH3+]C[C@H](Cc1ccccc1)c1ccc(Br)cc1 ZINC000041466915 174557261 /nfs/dbraw/zinc/55/72/61/174557261.db2.gz WQWAHCTXDWBYIP-AWEZNQCLSA-N 1 0 290.204 3.734 10 0 CHAERO CC[C@H]([NH2+]Cc1c(C)nc2scc(C)n12)C(C)C ZINC000042585931 174808388 /nfs/dbraw/zinc/80/83/88/174808388.db2.gz MPGUJGADKIYTNM-LBPRGKRZSA-N 1 0 265.426 3.537 10 0 CHAERO Cc1ccccc1C(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042609227 174822848 /nfs/dbraw/zinc/82/28/48/174822848.db2.gz WNUHCOCGDKVIRR-GOEBONIOSA-N 1 0 259.393 3.688 10 0 CHAERO CCC(CC)[N@@H+](C)[C@H](c1ccc(C)cc1)[C@H](N)CC ZINC000042914208 174912816 /nfs/dbraw/zinc/91/28/16/174912816.db2.gz KZDGKTOLNQKUAH-IAGOWNOFSA-N 1 0 262.441 3.894 10 0 CHAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)Cc1cccs1 ZINC000042945018 174920519 /nfs/dbraw/zinc/92/05/19/174920519.db2.gz YYVNSIDVRPPHKC-IAQYHMDHSA-N 1 0 294.851 3.922 10 0 CHAERO COc1ccccc1S[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042970485 174933563 /nfs/dbraw/zinc/93/35/63/174933563.db2.gz FNBGVKPKLALWAB-INIZCTEOSA-N 1 0 273.401 3.796 10 0 CHAERO CC(C)CCCO[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042974018 174937020 /nfs/dbraw/zinc/93/70/20/174937020.db2.gz MIWPAFNGHMKGFA-DOMZBBRYSA-N 1 0 253.361 3.667 10 0 CHAERO CCc1ccccc1O[C@@H](C[NH3+])c1ccccc1C ZINC000043040114 174953297 /nfs/dbraw/zinc/95/32/97/174953297.db2.gz BWOCIDXBDVKORK-KRWDZBQOSA-N 1 0 255.361 3.636 10 0 CHAERO Cc1csc(S[C@@H](c2ccccc2F)[C@H](C)[NH3+])n1 ZINC000043049560 174958034 /nfs/dbraw/zinc/95/80/34/174958034.db2.gz MYJKZSLPUCLDEY-JOYOIKCWSA-N 1 0 282.409 3.771 10 0 CHAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N1CCc2ccccc21 ZINC000043102630 174968847 /nfs/dbraw/zinc/96/88/47/174968847.db2.gz SHJVLTITGUZZOS-CZUORRHYSA-N 1 0 272.417 3.589 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(CC(F)(F)F)C(C)C ZINC000043106909 174973148 /nfs/dbraw/zinc/97/31/48/174973148.db2.gz KAWLPZJPUYMYFL-PWSUYJOCSA-N 1 0 294.386 3.799 10 0 CHAERO C[C@@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1cccs1 ZINC000043109442 174973624 /nfs/dbraw/zinc/97/36/24/174973624.db2.gz LYISTEVRARBSJR-YFTKGUKSSA-N 1 0 253.411 3.732 10 0 CHAERO Cc1cc(C)cc(O[C@@H](c2cccs2)[C@H](C)[NH3+])c1 ZINC000043108387 174973650 /nfs/dbraw/zinc/97/36/50/174973650.db2.gz FEGHUPUDMJIBOD-SWLSCSKDSA-N 1 0 261.390 3.832 10 0 CHAERO CC[C@H]([NH3+])[C@H](Oc1cccc(OC)c1)c1cccs1 ZINC000043108066 174973728 /nfs/dbraw/zinc/97/37/28/174973728.db2.gz SPRXPCGLEIQCJU-ZFWWWQNUSA-N 1 0 277.389 3.614 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(F)c(F)c1)c1cccs1 ZINC000043111609 174974389 /nfs/dbraw/zinc/97/43/89/174974389.db2.gz AURXNOVMPHRRLU-GXTWGEPZSA-N 1 0 283.343 3.884 10 0 CHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1cc(F)ccc1F ZINC000043459036 175050478 /nfs/dbraw/zinc/05/04/78/175050478.db2.gz UGBWZIOMJXHHFT-RYUDHWBXSA-N 1 0 255.352 3.922 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(O)c(Cl)c1)c1ccccc1 ZINC000043476618 175054586 /nfs/dbraw/zinc/05/45/86/175054586.db2.gz XMLMLWBRPZGDKC-LLVKDONJSA-N 1 0 261.752 3.896 10 0 CHAERO CC[NH2+][C@H]1CCC[C@H]1Cc1sccc1Br ZINC000043676307 175088206 /nfs/dbraw/zinc/08/82/06/175088206.db2.gz XYICJUCRCLUVKS-ONGXEEELSA-N 1 0 288.254 3.831 10 0 CHAERO C[NH2+][C@H]1CCCC[C@H]1Cc1sccc1Br ZINC000043676325 175088535 /nfs/dbraw/zinc/08/85/35/175088535.db2.gz AQNPDYUMKCGQBQ-ONGXEEELSA-N 1 0 288.254 3.831 10 0 CHAERO CC[NH2+][C@@H]1CCC[C@H]1Cc1cc(Br)cs1 ZINC000043688107 175095472 /nfs/dbraw/zinc/09/54/72/175095472.db2.gz OTXXTEPSFLWVTF-JOYOIKCWSA-N 1 0 288.254 3.831 10 0 CHAERO Nc1ccccc1SC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043959301 175126566 /nfs/dbraw/zinc/12/65/66/175126566.db2.gz MPRLHELMLFULGS-ZFWWWQNUSA-N 1 0 276.449 3.625 10 0 CHAERO Cc1cc(C)c([C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000044113753 175141064 /nfs/dbraw/zinc/14/10/64/175141064.db2.gz KHJDWFABSYDJDC-JKIFEVAISA-N 1 0 275.436 3.623 10 0 CHAERO CC(=O)c1cccc([C@@H]([NH3+])CCc2ccccc2)c1 ZINC000044138854 175146371 /nfs/dbraw/zinc/14/63/71/175146371.db2.gz BKCSJJRYRUZMSN-KRWDZBQOSA-N 1 0 253.345 3.522 10 0 CHAERO CC[C@H]([NH3+])Cc1ccccc1Oc1ccc(F)cc1 ZINC000044401659 175171150 /nfs/dbraw/zinc/17/11/50/175171150.db2.gz DBWGAKSXZAAGPP-AWEZNQCLSA-N 1 0 259.324 3.898 10 0 CHAERO C[C@H]([NH3+])Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044410685 175171575 /nfs/dbraw/zinc/17/15/75/175171575.db2.gz UZAQOYJVAFCEEC-LURJTMIESA-N 1 0 271.204 3.614 10 0 CHAERO C[C@H](Cn1c2ccccc2[nH]c1=S)[NH+]1CCCCC1 ZINC000045005394 175288165 /nfs/dbraw/zinc/28/81/65/175288165.db2.gz NRRCYYOYIXHIBI-GFCCVEGCSA-N 1 0 275.421 3.573 10 0 CHAERO CC(C)[NH2+]Cc1nc(-c2ccccc2Cl)cs1 ZINC000045206549 175328373 /nfs/dbraw/zinc/32/83/73/175328373.db2.gz QTWZTTVBZNTSBN-UHFFFAOYSA-N 1 0 266.797 3.962 10 0 CHAERO Cn1cc(C[NH2+]CCc2ccc(F)cc2)c2ccccc21 ZINC000045945018 175387123 /nfs/dbraw/zinc/38/71/23/175387123.db2.gz CCMJMSHYZDSALU-UHFFFAOYSA-N 1 0 282.362 3.650 10 0 CHAERO CC[NH2+]C[C@@](C)(CC)O[C@H]1CCCc2ccccc21 ZINC000051958622 175528486 /nfs/dbraw/zinc/52/84/86/175528486.db2.gz IMVYQGKORKLHMV-DLBZAZTESA-N 1 0 261.409 3.859 10 0 CHAERO CC[NH2+]CCC[C@@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000052642338 175536449 /nfs/dbraw/zinc/53/64/49/175536449.db2.gz CBIFGEWUKUGWGL-LLVKDONJSA-N 1 0 275.314 3.862 10 0 CHAERO COCCc1ccc([C@@H]([NH3+])C2CCCCCC2)cc1 ZINC000071137990 176036183 /nfs/dbraw/zinc/03/61/83/176036183.db2.gz UZDSZQCXBWOWSO-KRWDZBQOSA-N 1 0 261.409 3.846 10 0 CHAERO C[C@@H]1CCC[C@@H]([NH2+]CCOc2cc(F)ccc2F)C1 ZINC000071168928 176049874 /nfs/dbraw/zinc/04/98/74/176049874.db2.gz HDYUTZDTXQZRIQ-DGCLKSJQSA-N 1 0 269.335 3.512 10 0 CHAERO C[C@H]1CCC[C@@H]1NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000071208730 176081302 /nfs/dbraw/zinc/08/13/02/176081302.db2.gz LNFXMHZRGLMFJT-FPMFFAJLSA-N 1 0 260.406 3.609 10 0 CHAERO [NH3+]Cc1cc(F)ccc1CSc1ccc(F)cc1F ZINC000071264460 176097906 /nfs/dbraw/zinc/09/79/06/176097906.db2.gz CSFKNWHYKGVZOJ-UHFFFAOYSA-N 1 0 283.318 3.855 10 0 CHAERO C[C@@H](c1ccccc1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268588 176102063 /nfs/dbraw/zinc/10/20/63/176102063.db2.gz LEARAXKCCOSOTD-NSHDSACASA-N 1 0 254.308 3.728 10 0 CHAERO CCC([NH3+])(CC)c1nc(C)cc(C2CCCCC2)n1 ZINC000071397854 176151843 /nfs/dbraw/zinc/15/18/43/176151843.db2.gz CUDNXCFQJLRXRY-UHFFFAOYSA-N 1 0 261.413 3.807 10 0 CHAERO c1ccc(-c2ccc(C[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000071424881 176161192 /nfs/dbraw/zinc/16/11/92/176161192.db2.gz XUBADPQXMRPAJV-MRXNPFEDSA-N 1 0 251.373 3.896 10 0 CHAERO CCc1cccc(Oc2ccc(CCC[NH3+])cc2)c1 ZINC000071576736 176204735 /nfs/dbraw/zinc/20/47/35/176204735.db2.gz NNWWSWQYQXAJCZ-UHFFFAOYSA-N 1 0 255.361 3.933 10 0 CHAERO COc1ccc([C@H](CCC[NH3+])C(C)C)c(Cl)c1 ZINC000071577249 176205716 /nfs/dbraw/zinc/20/57/16/176205716.db2.gz SIPVMNFPWIBJFF-GFCCVEGCSA-N 1 0 255.789 3.827 10 0 CHAERO C[NH2+]Cc1ncc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000071586923 176213673 /nfs/dbraw/zinc/21/36/73/176213673.db2.gz QEDADOHCVDYCTK-UHFFFAOYSA-N 1 0 260.406 3.827 10 0 CHAERO CCCCc1ccc(-c2cnc(C[NH2+]C)s2)cc1 ZINC000071586925 176213808 /nfs/dbraw/zinc/21/38/08/176213808.db2.gz KOFNWSLOMONIEA-UHFFFAOYSA-N 1 0 260.406 3.872 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2c1ccc(F)cc1 ZINC000071633479 176237860 /nfs/dbraw/zinc/23/78/60/176237860.db2.gz KQXMOOPIGAPEOB-QGZVFWFLSA-N 1 0 283.346 3.559 10 0 CHAERO C[N@@H+]1C[C@H]2CCC[C@@]2(c2ccc3ccccc3c2)C1 ZINC000072112516 176317684 /nfs/dbraw/zinc/31/76/84/176317684.db2.gz QSOVYEIFTQKDEW-MSOLQXFVSA-N 1 0 251.373 3.823 10 0 CHAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@@H](c1ccc(C(C)C)cc1)C2 ZINC000072415306 176399318 /nfs/dbraw/zinc/39/93/18/176399318.db2.gz VTLNNIHHJQNJLP-HUUCEWRRSA-N 1 0 269.392 3.571 10 0 CHAERO [NH3+][C@@H]1CCCc2[nH]nc(-c3cccc4ccccc43)c21 ZINC000072415325 176399872 /nfs/dbraw/zinc/39/98/72/176399872.db2.gz GJSVGBGFCSLKBZ-CQSZACIVSA-N 1 0 263.344 3.566 10 0 CHAERO CC(C)C1CC(C[NH3+])(c2ccccc2Br)C1 ZINC000076480181 177025875 /nfs/dbraw/zinc/02/58/75/177025875.db2.gz WMTDBLZGUNZRPV-UHFFFAOYSA-N 1 0 282.225 3.712 10 0 CHAERO CC(C)C[C@@H](C[NH3+])c1ccc(OC(C)C)c(F)c1 ZINC000076657473 177046375 /nfs/dbraw/zinc/04/63/75/177046375.db2.gz NLBRSZZYJAJUST-ZDUSSCGKSA-N 1 0 253.361 3.701 10 0 CHAERO Cc1ccccc1OC[C@@H](CC[NH3+])c1ccccc1 ZINC000076660467 177048619 /nfs/dbraw/zinc/04/86/19/177048619.db2.gz HEIIRVAIZUDAOH-MRXNPFEDSA-N 1 0 255.361 3.506 10 0 CHAERO Cc1ccccc1[C@H](C[NH3+])CCOc1ccccc1 ZINC000076660428 177048757 /nfs/dbraw/zinc/04/87/57/177048757.db2.gz JWUGLKAHQORQQS-HNNXBMFYSA-N 1 0 255.361 3.506 10 0 CHAERO CC(C)C[C@@H](C[NH3+])c1ccccc1Br ZINC000076661548 177049286 /nfs/dbraw/zinc/04/92/86/177049286.db2.gz GRTPDXYUTQDHGK-JTQLQIEISA-N 1 0 256.187 3.538 10 0 CHAERO CC[C@H](CC[NH3+])c1ccc(OC(C)C)c(Cl)c1 ZINC000076661504 177049356 /nfs/dbraw/zinc/04/93/56/177049356.db2.gz ZDQOXOHOIUQRAP-LLVKDONJSA-N 1 0 255.789 3.970 10 0 CHAERO Cc1ccc(NC(=O)C[C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000076763280 177086559 /nfs/dbraw/zinc/08/65/59/177086559.db2.gz OQZWTJWMQAGETC-LBPRGKRZSA-N 1 0 282.815 3.598 10 0 CHAERO CCC[NH2+]Cc1oc2cc(C)cc(C)c2c1COC ZINC000077071479 177186839 /nfs/dbraw/zinc/18/68/39/177186839.db2.gz NCKODZFCBAPTRS-UHFFFAOYSA-N 1 0 261.365 3.696 10 0 CHAERO C[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1COC ZINC000077071701 177187533 /nfs/dbraw/zinc/18/75/33/177187533.db2.gz MYMCUDSTDQZSFS-UHFFFAOYSA-N 1 0 267.756 3.569 10 0 CHAERO CC[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1COC ZINC000077071880 177187950 /nfs/dbraw/zinc/18/79/50/177187950.db2.gz DJUYGVZZCBJMOJ-UHFFFAOYSA-N 1 0 288.174 3.996 10 0 CHAERO CC[NH2+]Cc1oc2c(ccc3ccccc23)c1COC ZINC000077072320 177188356 /nfs/dbraw/zinc/18/83/56/177188356.db2.gz FRNBJXAUGQHRFT-UHFFFAOYSA-N 1 0 269.344 3.842 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCCc2occc21 ZINC000192910342 227383091 /nfs/dbraw/zinc/38/30/91/227383091.db2.gz APNIRTZUFKKHCJ-PBHICJAKSA-N 1 0 285.387 3.852 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)sc1Br ZINC000307443059 260139966 /nfs/dbraw/zinc/13/99/66/260139966.db2.gz BCKVXXQORPNQIX-CNUIFLNQSA-N 1 0 274.227 3.878 10 0 CHAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000309877545 260197065 /nfs/dbraw/zinc/19/70/65/260197065.db2.gz UADBLGWRFDRULT-ZWKOPEQDSA-N 1 0 255.814 3.885 10 0 CHAERO C[C@H]([NH2+]CCn1cc(Cl)cn1)c1cccc(Cl)c1 ZINC000312887310 260218103 /nfs/dbraw/zinc/21/81/03/260218103.db2.gz QCNXJAWMLBKLHB-JTQLQIEISA-N 1 0 284.190 3.541 10 0 CHAERO CCc1cc(N[C@H](C)c2sc(C)nc2C)nc(C)n1 ZINC000088760217 260234527 /nfs/dbraw/zinc/23/45/27/260234527.db2.gz UFSKXOOGSGKSHI-SECBINFHSA-N 1 0 276.409 3.594 10 0 CHAERO CCCC1(C[NH2+][C@H](C)c2c(C)nn(CC)c2C)CC1 ZINC000090402102 260258758 /nfs/dbraw/zinc/25/87/58/260258758.db2.gz KLBAOUFYSNTFBS-GFCCVEGCSA-N 1 0 263.429 3.751 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1 ZINC000091012001 260264778 /nfs/dbraw/zinc/26/47/78/260264778.db2.gz DXLPTLLOZXUEPH-OAHLLOKOSA-N 1 0 286.419 3.715 10 0 CHAERO C[N@@H+](Cc1sc2ccccc2c1Cl)CC1CC(O)C1 ZINC000091499116 260266327 /nfs/dbraw/zinc/26/63/27/260266327.db2.gz PRQVSCSZMQLREN-UHFFFAOYSA-N 1 0 295.835 3.757 10 0 CHAERO CCc1oc2ccccc2c1C[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502729 260285697 /nfs/dbraw/zinc/28/56/97/260285697.db2.gz CGHLKQXRNVMNQF-CQSZACIVSA-N 1 0 286.419 3.569 10 0 CHAERO Cc1ccc([C@H](C)N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000093515056 260290362 /nfs/dbraw/zinc/29/03/62/260290362.db2.gz WAJGXICZEYNPMR-QEJZJMRPSA-N 1 0 264.413 3.549 10 0 CHAERO Cc1cc(CN[C@@H]2CC[C@H](C)c3ccccc32)no1 ZINC000211744676 260310549 /nfs/dbraw/zinc/31/05/49/260310549.db2.gz KOYZWFBJRCVYOW-MEDUHNTESA-N 1 0 256.349 3.711 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000090175871 260336740 /nfs/dbraw/zinc/33/67/40/260336740.db2.gz LJXWVKPDUXSXNG-ZOWXZIJZSA-N 1 0 263.381 3.543 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000090175323 260336752 /nfs/dbraw/zinc/33/67/52/260336752.db2.gz GRJDJMAYTUTEGS-ZOWXZIJZSA-N 1 0 263.381 3.543 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)C(C)C ZINC000126472030 260353433 /nfs/dbraw/zinc/35/34/33/260353433.db2.gz KQLPXUBASMZSJW-IUCAKERBSA-N 1 0 291.258 3.991 10 0 CHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000132665913 260504425 /nfs/dbraw/zinc/50/44/25/260504425.db2.gz USTLRCNOFOQUBZ-WMLDXEAASA-N 1 0 273.420 3.716 10 0 CHAERO C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173647797 261167345 /nfs/dbraw/zinc/16/73/45/261167345.db2.gz UKGJDALPLICUPN-BLLLJJGKSA-N 1 0 289.810 3.972 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]CCn1cccn1)c1ccccc1 ZINC000175172734 261211036 /nfs/dbraw/zinc/21/10/36/261211036.db2.gz AUYHHRCJQJMAJK-IBGZPJMESA-N 1 0 291.398 3.571 10 0 CHAERO Cc1ccccc1CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000175905985 261251734 /nfs/dbraw/zinc/25/17/34/261251734.db2.gz QLFQGQPPPNUYGH-UHFFFAOYSA-N 1 0 297.446 3.536 10 0 CHAERO C[C@@H]([NH2+]Cc1cccn1C)c1ccc(OC(F)(F)F)cc1 ZINC000161582585 261252457 /nfs/dbraw/zinc/25/24/57/261252457.db2.gz JJNWYQFWVMYBDL-LLVKDONJSA-N 1 0 298.308 3.775 10 0 CHAERO COCCCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000103226138 261277768 /nfs/dbraw/zinc/27/77/68/261277768.db2.gz KZOMYPJHXBEKBY-UHFFFAOYSA-N 1 0 255.789 3.589 10 0 CHAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCCOCc1ccccc1 ZINC000390052107 262091940 /nfs/dbraw/zinc/09/19/40/262091940.db2.gz JGRMYZDNRXTUJU-SFHVURJKSA-N 1 0 297.398 3.576 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)C1CCCC1 ZINC000390601186 262227136 /nfs/dbraw/zinc/22/71/36/262227136.db2.gz XJXLISFJCIIABW-CABCVRRESA-N 1 0 261.409 3.760 10 0 CHAERO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1cccc(C)c1 ZINC000311338664 262237776 /nfs/dbraw/zinc/23/77/76/262237776.db2.gz JQQALIBXSJHDME-DLBZAZTESA-N 1 0 260.425 3.520 10 0 CHAERO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1Cl ZINC000188390005 262293562 /nfs/dbraw/zinc/29/35/62/262293562.db2.gz VLJBRBFRDCLLEE-IUODEOHRSA-N 1 0 297.826 3.784 10 0 CHAERO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000393442624 262360306 /nfs/dbraw/zinc/36/03/06/262360306.db2.gz XSTLKRBSODMDRQ-LSDHHAIUSA-N 1 0 269.473 3.980 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCCc2sccc21 ZINC000061328035 262394432 /nfs/dbraw/zinc/39/44/32/262394432.db2.gz ONRYWDGPVBLQKE-ZFWWWQNUSA-N 1 0 280.481 3.691 10 0 CHAERO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000148853491 264385241 /nfs/dbraw/zinc/38/52/41/264385241.db2.gz WVWNDDWRVKZZTD-ZDUSSCGKSA-N 1 0 271.408 3.703 10 0 CHAERO C[C@H](c1ccc(Cl)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094448219 265243123 /nfs/dbraw/zinc/24/31/23/265243123.db2.gz ITVXQRNLXRCRSO-DGCLKSJQSA-N 1 0 299.245 3.834 10 0 CHAERO CC(C)Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000094895986 265270969 /nfs/dbraw/zinc/27/09/69/265270969.db2.gz AVEOCEIJLGRGGL-YOEHRIQHSA-N 1 0 261.409 3.542 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094952627 265277516 /nfs/dbraw/zinc/27/75/16/265277516.db2.gz JSRBCXDZUWHVKR-ZDUSSCGKSA-N 1 0 260.356 3.806 10 0 CHAERO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116299072 267137230 /nfs/dbraw/zinc/13/72/30/267137230.db2.gz FKLNMASFUUFUOF-INIZCTEOSA-N 1 0 287.359 3.504 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C[C@H](C)O1 ZINC000369860409 267272071 /nfs/dbraw/zinc/27/20/71/267272071.db2.gz CEWZYEQOQNYKLY-SXKTXXPVSA-N 1 0 273.420 3.726 10 0 CHAERO Cc1nc2c(s1)[C@H]([N@H+](C)C1CCCC1)CCC2 ZINC000120141271 267387041 /nfs/dbraw/zinc/38/70/41/267387041.db2.gz ZKHNQEHHUATINL-CYBMUJFWSA-N 1 0 250.411 3.703 10 0 CHAERO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000157472474 327617151 /nfs/dbraw/zinc/61/71/51/327617151.db2.gz NAESNXZPZYMBPG-OLZOCXBDSA-N 1 0 277.799 3.666 10 0 CHAERO Cc1cnc([C@H](C)Nc2cc[nH+]c(C)c2Cl)o1 ZINC000310411913 327863544 /nfs/dbraw/zinc/86/35/44/327863544.db2.gz OZOVWFKAHUVVFQ-VIFPVBQESA-N 1 0 251.717 3.513 10 0 CHAERO C[C@H](c1c(F)cccc1F)N1CC[NH2+]Cc2ccccc21 ZINC000062818195 327895566 /nfs/dbraw/zinc/89/55/66/327895566.db2.gz PKPLTRKRDOKDIS-GFCCVEGCSA-N 1 0 288.341 3.636 10 0 CHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000040502454 327907662 /nfs/dbraw/zinc/90/76/62/327907662.db2.gz YUCRYLTWDHMMCZ-WCQYABFASA-N 1 0 284.806 3.614 10 0 CHAERO CC(C)C[C@@H](CO)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000040773303 328018053 /nfs/dbraw/zinc/01/80/53/328018053.db2.gz XXFBRTDCERYLLO-ABHNRTSZSA-N 1 0 275.436 3.709 10 0 CHAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC000101563085 328356828 /nfs/dbraw/zinc/35/68/28/328356828.db2.gz BMRYWXOSHJQJSC-SJORKVTESA-N 1 0 288.435 3.518 10 0 CHAERO CCc1ccc([C@H](CC)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000037224254 326842019 /nfs/dbraw/zinc/84/20/19/326842019.db2.gz SNQSAZMUESDALU-COXVUDFISA-N 1 0 261.409 3.857 10 0 CHAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000036960596 326901381 /nfs/dbraw/zinc/90/13/81/326901381.db2.gz PGROYRWRDQCXQZ-OCCSQVGLSA-N 1 0 273.376 3.878 10 0 CHAERO C[C@H](C[NH2+][C@@H]1COc2ccccc21)c1ccccc1 ZINC000070529084 326917602 /nfs/dbraw/zinc/91/76/02/326917602.db2.gz UPGSLNDRBZFZDE-CZUORRHYSA-N 1 0 253.345 3.513 10 0 CHAERO Nc1cccc2c1CCCN2C[C@H]1CCCC(F)(F)C1 ZINC000261562453 327020824 /nfs/dbraw/zinc/02/08/24/327020824.db2.gz AKGOOGXPNZLQGF-LBPRGKRZSA-N 1 0 280.362 3.847 10 0 CHAERO Cc1c(C[NH2+][C@H](CC(C)C)c2ccccc2)cnn1C ZINC000093649666 327132652 /nfs/dbraw/zinc/13/26/52/327132652.db2.gz RADOSGQJPMAKTE-QGZVFWFLSA-N 1 0 271.408 3.606 10 0 CHAERO CC(C)COc1cccc(N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000560966733 327355050 /nfs/dbraw/zinc/35/50/50/327355050.db2.gz PNTYBKBMYAEGOR-CABCVRRESA-N 1 0 276.424 3.521 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1csc(Cl)c1 ZINC000300527304 327382980 /nfs/dbraw/zinc/38/29/80/327382980.db2.gz DTBMXSRDRLPZQR-MVWJERBFSA-N 1 0 273.829 3.746 10 0 CHAERO CSc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000172272172 329084506 /nfs/dbraw/zinc/08/45/06/329084506.db2.gz ODYUDBVHVXWBPW-INIZCTEOSA-N 1 0 287.432 3.859 10 0 CHAERO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000393641919 329088090 /nfs/dbraw/zinc/08/80/90/329088090.db2.gz XXOGXPUEUDBZLK-ZNMIVQPWSA-N 1 0 269.473 3.978 10 0 CHAERO CCc1ccc([C@@H]2CCCCN2Cc2nccn2CC)o1 ZINC000172871284 329139483 /nfs/dbraw/zinc/13/94/83/329139483.db2.gz XBPQCFPTJOKPHV-HNNXBMFYSA-N 1 0 287.407 3.786 10 0 CHAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1cccc(F)c1 ZINC000173989863 329152040 /nfs/dbraw/zinc/15/20/40/329152040.db2.gz OWRVGTWMHJIUDX-GFCCVEGCSA-N 1 0 270.351 3.944 10 0 CHAERO CSCCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000173796434 329152208 /nfs/dbraw/zinc/15/22/08/329152208.db2.gz UIMYGKAJMWSYDI-CYBMUJFWSA-N 1 0 253.411 3.868 10 0 CHAERO C[C@H]([NH2+][C@H](c1cccnc1)c1ccc(F)c(F)c1)C1CC1 ZINC000177291655 329185671 /nfs/dbraw/zinc/18/56/71/329185671.db2.gz ZTULCAOQAMEEFK-GTNSWQLSSA-N 1 0 288.341 3.837 10 0 CHAERO C[C@H]([NH2+][C@@H](c1ccncc1)c1ccc(F)cc1)C1CC1 ZINC000177313135 329186033 /nfs/dbraw/zinc/18/60/33/329186033.db2.gz XDZPPKCGPYWFBN-YVEFUNNKSA-N 1 0 270.351 3.698 10 0 CHAERO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnn3ccccc23)o1 ZINC000179696172 329211672 /nfs/dbraw/zinc/21/16/72/329211672.db2.gz NNEGVZLJIBANLW-KRWDZBQOSA-N 1 0 295.386 3.963 10 0 CHAERO Cn1nccc1C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000179981319 329213938 /nfs/dbraw/zinc/21/39/38/329213938.db2.gz LRSLIGOHOIBQEX-UHFFFAOYSA-N 1 0 297.446 3.577 10 0 CHAERO Cc1cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)ccc1Cl ZINC000180429386 329216724 /nfs/dbraw/zinc/21/67/24/329216724.db2.gz AGBKDMXPOZWIME-INIZCTEOSA-N 1 0 289.810 3.719 10 0 CHAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000181889467 329238202 /nfs/dbraw/zinc/23/82/02/329238202.db2.gz PYFLXARXERUYBV-CQSZACIVSA-N 1 0 293.407 3.929 10 0 CHAERO Cc1nnc([C@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)[nH]1 ZINC000392351613 329274442 /nfs/dbraw/zinc/27/44/42/329274442.db2.gz PXKDPDAPANPWIH-RYUDHWBXSA-N 1 0 272.396 3.648 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000187126050 329353669 /nfs/dbraw/zinc/35/36/69/329353669.db2.gz FLYSTLYNSDMRJB-IBGZPJMESA-N 1 0 297.446 3.679 10 0 CHAERO Cc1ccc([C@H]2CCCCN2Cc2ccc(F)nc2)o1 ZINC000189363338 329380114 /nfs/dbraw/zinc/38/01/14/329380114.db2.gz XOLLSSNRBWGKHA-CQSZACIVSA-N 1 0 274.339 3.849 10 0 CHAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1csc(Cl)c1 ZINC000191292097 329411915 /nfs/dbraw/zinc/41/19/15/329411915.db2.gz FMMFOBRUCYPOTI-RJIBLYRGSA-N 1 0 293.819 3.710 10 0 CHAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000233987744 329412359 /nfs/dbraw/zinc/41/23/59/329412359.db2.gz YZSALCZREVNGJM-CWRNSKLLSA-N 1 0 261.434 3.590 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1C ZINC000164896133 329433960 /nfs/dbraw/zinc/43/39/60/329433960.db2.gz OCMIGGROQMUDMA-RISCZKNCSA-N 1 0 263.429 3.749 10 0 CHAERO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccccn1 ZINC000245973125 329763913 /nfs/dbraw/zinc/76/39/13/329763913.db2.gz WQEZAEIHPOMVDD-QGTPRVQTSA-N 1 0 282.387 3.653 10 0 CHAERO CC[C@H](C)[C@H](C)[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000246321692 329830827 /nfs/dbraw/zinc/83/08/27/329830827.db2.gz FIZNYGDWIBAFQG-GVXVVHGQSA-N 1 0 265.401 3.668 10 0 CHAERO C[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)[C@@H]1C[NH3+] ZINC000070175648 329855199 /nfs/dbraw/zinc/85/51/99/329855199.db2.gz XEOSYBMGWOUWJF-IINYFYTJSA-N 1 0 287.234 3.553 10 0 CHAERO Cc1ncsc1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000071212296 329856420 /nfs/dbraw/zinc/85/64/20/329856420.db2.gz JRRYXZWDCOIDIC-ZYHUDNBSSA-N 1 0 252.427 3.756 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(OC)cc1 ZINC000247036719 329874840 /nfs/dbraw/zinc/87/48/40/329874840.db2.gz LMTXGCPNSTVIAP-FJIDUMEYSA-N 1 0 289.419 3.694 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@H](C)c2sc(C(C)C)nc2C)C1 ZINC000247225511 329877680 /nfs/dbraw/zinc/87/76/80/329877680.db2.gz YAJGUPLJKGGFJJ-OCCSQVGLSA-N 1 0 295.496 3.710 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248779382 329899169 /nfs/dbraw/zinc/89/91/69/329899169.db2.gz HVIKEODIDOWGFN-YSVLISHTSA-N 1 0 259.393 3.603 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248857010 329900921 /nfs/dbraw/zinc/90/09/21/329900921.db2.gz PKJJEJMIBUKADN-RRQGHBQHSA-N 1 0 259.393 3.603 10 0 CHAERO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)ccc2n1 ZINC000249084243 329904360 /nfs/dbraw/zinc/90/43/60/329904360.db2.gz BESOQHVXBUGXFY-QXAKKESOSA-N 1 0 296.414 3.590 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000252738304 329946222 /nfs/dbraw/zinc/94/62/22/329946222.db2.gz AWNWMFOHGNVVBV-BIGNPOOSSA-N 1 0 280.209 3.825 10 0 CHAERO C[C@@H]([NH2+]Cc1cccn1C)c1ccc(F)c(Cl)c1 ZINC000161776322 329955315 /nfs/dbraw/zinc/95/53/15/329955315.db2.gz ANPUXXBOOQYIEE-SNVBAGLBSA-N 1 0 266.747 3.668 10 0 CHAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1cccc2ccccc21 ZINC000396726237 330223824 /nfs/dbraw/zinc/22/38/24/330223824.db2.gz UHZGNTAFIUMKCX-IYOUNJFTSA-N 1 0 268.404 3.631 10 0 CHAERO CC1(C)[C@H]([NH2+]CC(C2CCC2)C2CCC2)[C@H]2CCO[C@H]21 ZINC000527927066 330296736 /nfs/dbraw/zinc/29/67/36/330296736.db2.gz RDKGYULBBWDESB-DJIMGWMZSA-N 1 0 277.452 3.606 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CC=CCC2)c1C ZINC000527980211 330298115 /nfs/dbraw/zinc/29/81/15/330298115.db2.gz HCSCSZFVEHWCMT-XJKSGUPXSA-N 1 0 275.440 3.917 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000105689678 330327950 /nfs/dbraw/zinc/32/79/50/330327950.db2.gz CYDNTOHBKOJUAA-MJGOQNOKSA-N 1 0 281.399 3.853 10 0 CHAERO Cc1csc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000079055086 330330259 /nfs/dbraw/zinc/33/02/59/330330259.db2.gz GKOGCADOGRHVRI-VHSXEESVSA-N 1 0 278.343 3.662 10 0 CHAERO COc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000044673986 330331523 /nfs/dbraw/zinc/33/15/23/330331523.db2.gz WMEQSYNCKCDHKB-XYPHTWIQSA-N 1 0 267.372 3.902 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044674140 330331531 /nfs/dbraw/zinc/33/15/31/330331531.db2.gz AYWVGPXQTYCBNI-XWIAVFTESA-N 1 0 267.372 3.902 10 0 CHAERO CC(C)(C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000057394839 330374781 /nfs/dbraw/zinc/37/47/81/330374781.db2.gz OMUUPUCUFZHSBR-UHFFFAOYSA-N 1 0 270.376 3.549 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000121658223 330404402 /nfs/dbraw/zinc/40/44/02/330404402.db2.gz YTFSYDRAIQZBKR-JJRVBVJISA-N 1 0 277.408 3.549 10 0 CHAERO Cc1ccc(OC2CC[NH+](Cc3cc[nH]c3)CC2)cc1C ZINC000092096240 330407305 /nfs/dbraw/zinc/40/73/05/330407305.db2.gz KLPFAJJBTWVMNG-UHFFFAOYSA-N 1 0 284.403 3.675 10 0 CHAERO CCCC[C@@H](CC)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085630303 330491913 /nfs/dbraw/zinc/49/19/13/330491913.db2.gz AJQPGKKFQYHDRX-QPSCCSFWSA-N 1 0 253.430 3.606 10 0 CHAERO CCC1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636093 330491915 /nfs/dbraw/zinc/49/19/15/330491915.db2.gz VGWQYBUAKKFKPI-NEADZQPHSA-N 1 0 265.441 3.606 10 0 CHAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085979885 330493257 /nfs/dbraw/zinc/49/32/57/330493257.db2.gz FKTUDBZQQMRBLM-RYRKJORJSA-N 1 0 289.463 3.884 10 0 CHAERO CCCCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000149450746 330574094 /nfs/dbraw/zinc/57/40/94/330574094.db2.gz JDURRBDWXUPXBF-PBHICJAKSA-N 1 0 277.408 3.523 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000163347863 331024115 /nfs/dbraw/zinc/02/41/15/331024115.db2.gz FHVHVKQKZBQLJT-CHWSQXEVSA-N 1 0 282.394 3.673 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194904076 331072558 /nfs/dbraw/zinc/07/25/58/331072558.db2.gz HRLNCTFIMFBWCL-CABCVRRESA-N 1 0 285.387 3.648 10 0 CHAERO CCC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000166060615 331306440 /nfs/dbraw/zinc/30/64/40/331306440.db2.gz URXSVHNEJZYCSQ-MJGOQNOKSA-N 1 0 283.415 3.835 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1 ZINC000166066545 331306566 /nfs/dbraw/zinc/30/65/66/331306566.db2.gz AJACNEGVBKVNRO-MOPGFXCFSA-N 1 0 283.415 3.691 10 0 CHAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000466423412 331396411 /nfs/dbraw/zinc/39/64/11/331396411.db2.gz CTADPVOSDFWKCO-KYEXWDHISA-N 1 0 253.430 3.604 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)s2)C[C@H](C)O1 ZINC000466427189 331396722 /nfs/dbraw/zinc/39/67/22/331396722.db2.gz VUCZLHUJDQGSIN-JGPRNRPPSA-N 1 0 273.829 3.695 10 0 CHAERO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(C)c1 ZINC000250969147 334354096 /nfs/dbraw/zinc/35/40/96/334354096.db2.gz BILJJFQHHGSLRR-HKUYNNGSSA-N 1 0 287.447 3.739 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)c(C)c1 ZINC000248181989 334296619 /nfs/dbraw/zinc/29/66/19/334296619.db2.gz WOCQLRIAWOCOSV-ZOBUZTSGSA-N 1 0 261.409 3.505 10 0 CHAERO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000153811729 334680190 /nfs/dbraw/zinc/68/01/90/334680190.db2.gz BPOWKKFVWOMNPK-ZOWXZIJZSA-N 1 0 297.826 3.550 10 0 CHAERO CC(C)=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400504539 332712222 /nfs/dbraw/zinc/71/22/22/332712222.db2.gz JNWFZXRKPMZQJL-LSDHHAIUSA-N 1 0 296.455 3.578 10 0 CHAERO CC[C@@H]([NH2+]CCSCC(F)(F)F)C(C)(C)C ZINC000309686240 333047114 /nfs/dbraw/zinc/04/71/14/333047114.db2.gz HKOQFJKTAIAFRP-SECBINFHSA-N 1 0 257.365 3.696 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178681370 333076805 /nfs/dbraw/zinc/07/68/05/333076805.db2.gz UXEOVSKMWJJHRN-RDJZCZTQSA-N 1 0 299.462 3.862 10 0 CHAERO COc1ccc([C@@H]([NH2+][C@H]2CC=CCC2)C2CC2)cc1 ZINC000088747139 333091878 /nfs/dbraw/zinc/09/18/78/333091878.db2.gz OWTVFYVQIFWNNT-RDJZCZTQSA-N 1 0 257.377 3.845 10 0 CHAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)COCc2ccccc2)c1 ZINC000184371174 333127706 /nfs/dbraw/zinc/12/77/06/333127706.db2.gz JWOVDHVAUZBFOI-HZPDHXFCSA-N 1 0 284.403 3.646 10 0 CHAERO CC/C=C/CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000184721157 333131760 /nfs/dbraw/zinc/13/17/60/333131760.db2.gz VUECFRZNIGNNIQ-YBJDMEARSA-N 1 0 263.381 3.711 10 0 CHAERO C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@@H]2[NH3+] ZINC000253596800 333185645 /nfs/dbraw/zinc/18/56/45/333185645.db2.gz WDTAJXMIXADUTH-RYNUQQTHSA-N 1 0 291.479 3.717 10 0 CHAERO CCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccccc1 ZINC000223846211 333212588 /nfs/dbraw/zinc/21/25/88/333212588.db2.gz JPUYOPIDWNSQLA-IXDOHACOSA-N 1 0 261.409 3.669 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+]C2CC(OCC)C2)cc1 ZINC000224614387 333223458 /nfs/dbraw/zinc/22/34/58/333223458.db2.gz YWCWMKVJJMQKKY-KTAKPFMOSA-N 1 0 277.408 3.694 10 0 CHAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000192581934 333236543 /nfs/dbraw/zinc/23/65/43/333236543.db2.gz NXMOBWVBWYGFSW-KKUMJFAQSA-N 1 0 298.430 3.794 10 0 CHAERO C[C@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)[C@@H]1CCOC1 ZINC000225843760 333241430 /nfs/dbraw/zinc/24/14/30/333241430.db2.gz HCZQIICWIBGXER-LXZKKBNFSA-N 1 0 273.420 3.715 10 0 CHAERO OCC[C@@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000227575097 333286146 /nfs/dbraw/zinc/28/61/46/333286146.db2.gz KLPCIQVYAAIZRL-NSHDSACASA-N 1 0 295.835 3.759 10 0 CHAERO CSC1(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000228021469 333292764 /nfs/dbraw/zinc/29/27/64/333292764.db2.gz DWWRROQVZNYZSI-ZDUSSCGKSA-N 1 0 277.433 3.774 10 0 CHAERO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228073812 333294188 /nfs/dbraw/zinc/29/41/88/333294188.db2.gz OCDRWSUSDOTSGE-CVEARBPZSA-N 1 0 288.479 3.770 10 0 CHAERO CC(C)[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000229411454 333304657 /nfs/dbraw/zinc/30/46/57/333304657.db2.gz KJMFZVBQQMKTOL-MRXNPFEDSA-N 1 0 294.483 3.570 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000231675835 333327690 /nfs/dbraw/zinc/32/76/90/333327690.db2.gz WLTNRZSSPNKSMR-DGCLKSJQSA-N 1 0 255.308 3.566 10 0 CHAERO Clc1cnccc1CN1CCC[C@H]1c1ccco1 ZINC000173758264 335139988 /nfs/dbraw/zinc/13/99/88/335139988.db2.gz OQPOEHUSLHCDQX-ZDUSSCGKSA-N 1 0 262.740 3.665 10 0 CHAERO Cc1nocc1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000339178297 335142096 /nfs/dbraw/zinc/14/20/96/335142096.db2.gz OVIYUGWPZPHURG-VIFPVBQESA-N 1 0 295.180 3.596 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000070348751 333807917 /nfs/dbraw/zinc/80/79/17/333807917.db2.gz ZLBMXBXTSANDAX-COPLHBTASA-N 1 0 298.224 3.667 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)C1CCOCC1 ZINC000230213388 333812580 /nfs/dbraw/zinc/81/25/80/333812580.db2.gz PWNJEPVNLYOQHF-KSSFIOAISA-N 1 0 273.420 3.859 10 0 CHAERO C[C@@H](CC[NH2+][C@@H]1COc2ccccc21)c1ccccc1 ZINC000070528702 333814857 /nfs/dbraw/zinc/81/48/57/333814857.db2.gz RIAOVOYEVVEVBH-WMLDXEAASA-N 1 0 267.372 3.904 10 0 CHAERO CC(C)[C@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000131321547 333923797 /nfs/dbraw/zinc/92/37/97/333923797.db2.gz SRGPBAIOGWYHKU-LDYMZIIASA-N 1 0 294.197 3.800 10 0 CHAERO [NH3+][C@H]1CCc2c1cccc2-c1ccc(OC2CC2)cc1 ZINC000236332223 334048849 /nfs/dbraw/zinc/04/88/49/334048849.db2.gz IHVPTFKARNPCIA-SFHVURJKSA-N 1 0 265.356 3.841 10 0 CHAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000134240159 334085284 /nfs/dbraw/zinc/08/52/84/334085284.db2.gz JFYFXQQFONZUTP-BLLLJJGKSA-N 1 0 273.401 3.682 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000135304038 334124793 /nfs/dbraw/zinc/12/47/93/334124793.db2.gz GUGKPSRGNKKUNE-XEZPLFJOSA-N 1 0 261.409 3.812 10 0 CHAERO C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881359 334140603 /nfs/dbraw/zinc/14/06/03/334140603.db2.gz MHHJICGSBLADCB-YHNBSYBMSA-N 1 0 266.473 3.508 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000080453137 334171666 /nfs/dbraw/zinc/17/16/66/334171666.db2.gz TVFWSMAICLKHKE-BFHYXJOUSA-N 1 0 277.408 3.933 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000247043502 334274420 /nfs/dbraw/zinc/27/44/20/334274420.db2.gz QAWVTAKDUYXZNI-NUJGCVRESA-N 1 0 285.387 3.510 10 0 CHAERO c1ccc2c(c1)-c1ccccc1C2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247341915 334279479 /nfs/dbraw/zinc/27/94/79/334279479.db2.gz XPJTWMGIWZGVHD-HNNXBMFYSA-N 1 0 290.410 3.536 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(Cl)s1 ZINC000247934361 334291774 /nfs/dbraw/zinc/29/17/74/334291774.db2.gz CIFYQXQKBMZTAX-SDDRHHMPSA-N 1 0 287.856 3.993 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](C)Cc1ccccc1 ZINC000248604754 334308292 /nfs/dbraw/zinc/30/82/92/334308292.db2.gz VZJSEWPTPRLMAP-VQIMIIECSA-N 1 0 297.446 3.535 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)C[C@@H](C)CC)C12CCOCC2 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CHAERO C[C@H]1C[NH2+]CCN(c2ccc(Oc3ccccc3)cc2)C1 ZINC000049660883 518184745 /nfs/dbraw/zinc/18/47/45/518184745.db2.gz YXVWUCQTEFYGLF-HNNXBMFYSA-N 1 0 282.387 3.525 10 0 CHAERO CC(C)(C)[NH2+]C[C@H]1CCCN1Cc1ccc(Cl)s1 ZINC000053649613 518760940 /nfs/dbraw/zinc/76/09/40/518760940.db2.gz NJCRASGSRVHBHE-LLVKDONJSA-N 1 0 286.872 3.754 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccc(F)cc1 ZINC000062707745 519274181 /nfs/dbraw/zinc/27/41/81/519274181.db2.gz VPDXOYSJPHZCNK-MSOLQXFVSA-N 1 0 292.442 3.670 10 0 CHAERO CC(C)C[C@@H]1CSC(N[C@H](C)Cc2ccsc2)=[NH+]1 ZINC000049185360 519276130 /nfs/dbraw/zinc/27/61/30/519276130.db2.gz YKWPSMZZKPBQAI-DGCLKSJQSA-N 1 0 282.478 3.786 10 0 CHAERO CC(C)C[C@H]1CN(Cc2c(F)cccc2Cl)CCC[NH2+]1 ZINC000062712360 519414450 /nfs/dbraw/zinc/41/44/50/519414450.db2.gz WEGVNWCXNHVLRL-ZDUSSCGKSA-N 1 0 298.833 3.689 10 0 CHAERO CC(C)C[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccccc1F ZINC000062707740 519415370 /nfs/dbraw/zinc/41/53/70/519415370.db2.gz IAAYVUKUFMEHJN-WMZOPIPTSA-N 1 0 292.442 3.670 10 0 CHAERO CC(C)C[C@H]1[NH2+]CCc2c(OC(F)(F)F)cccc21 ZINC000052095767 519419144 /nfs/dbraw/zinc/41/91/44/519419144.db2.gz NVJOBEYXVNJILE-GFCCVEGCSA-N 1 0 273.298 3.818 10 0 CHAERO CC(C)CC(CC(C)C)[NH2+][C@H](CN(C)C)C(C)C ZINC000049197268 519618938 /nfs/dbraw/zinc/61/89/38/519618938.db2.gz JTZCMGOITDOLJR-MRXNPFEDSA-N 1 0 256.478 3.623 10 0 CHAERO CC(C)CC[NH2+]C[C@H](C)N(C)Cc1ccc(Cl)s1 ZINC000053495348 519663544 /nfs/dbraw/zinc/66/35/44/519663544.db2.gz GZFAGATZRWWHNI-LBPRGKRZSA-N 1 0 288.888 3.858 10 0 CHAERO CC(C)CCOCC[C@@H](C[NH2+]C1CC1)CC(C)C ZINC000052968603 519669234 /nfs/dbraw/zinc/66/92/34/519669234.db2.gz TUHIURGPEVWXQU-OAHLLOKOSA-N 1 0 255.446 3.854 10 0 CHAERO CC(C)C[NH+](CC(C)C)[C@H](CNC(C)C)C(C)C ZINC000052484801 519713563 /nfs/dbraw/zinc/71/35/63/519713563.db2.gz TZDJYGWRWKXAOY-MRXNPFEDSA-N 1 0 256.478 3.623 10 0 CHAERO CC(C)C[NH+](CC(C)C)[C@H](C)CNCc1cccs1 ZINC000053494331 519713894 /nfs/dbraw/zinc/71/38/94/519713894.db2.gz UMNDVFRVIRRINN-OAHLLOKOSA-N 1 0 282.497 3.840 10 0 CHAERO CC(C)C[NH2+]C[C@@H](C)Cc1c(F)cccc1Cl ZINC000052967453 519744380 /nfs/dbraw/zinc/74/43/80/519744380.db2.gz OFKLPPASEKWIJH-NSHDSACASA-N 1 0 257.780 3.903 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@]1(C)c1cccc(Cl)c1 ZINC000054598251 519745275 /nfs/dbraw/zinc/74/52/75/519745275.db2.gz DVLHVKZKENCNQY-DZGCQCFKSA-N 1 0 251.801 3.863 10 0 CHAERO CC(C)C[NH2+]C[C@H](CCCOCC(F)(F)F)C(C)C ZINC000052972794 519746156 /nfs/dbraw/zinc/74/61/56/519746156.db2.gz KNFHEQOENXHNCQ-ZDUSSCGKSA-N 1 0 283.378 3.863 10 0 CHAERO CC(C)C[NH2+]Cc1ccoc1CO[C@@H](C)CC(C)C ZINC000052603300 519747985 /nfs/dbraw/zinc/74/79/85/519747985.db2.gz PWQCOZOLGFSHPB-AWEZNQCLSA-N 1 0 267.413 3.976 10 0 CHAERO CC(C)COCc1c(C[NH3+])sc2cccc(F)c21 ZINC000052622504 519759244 /nfs/dbraw/zinc/75/92/44/519759244.db2.gz WNSOBPIQYLXFIN-UHFFFAOYSA-N 1 0 267.369 3.672 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049197615 519793973 /nfs/dbraw/zinc/79/39/73/519793973.db2.gz UZERJJHMRXOUJO-GHMZBOCLSA-N 1 0 274.861 3.638 10 0 CHAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccc(Cl)cc1 ZINC000062671501 519804744 /nfs/dbraw/zinc/80/47/44/519804744.db2.gz WQXNDXHXKZPRIK-HNNXBMFYSA-N 1 0 280.843 3.548 10 0 CHAERO CCCC1CCC(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000054602669 519896432 /nfs/dbraw/zinc/89/64/32/519896432.db2.gz JDFVQMDAJPLMQI-QLQQRZLESA-N 1 0 264.457 3.690 10 0 CHAERO CC[NH2+]C1(c2nccs2)CCC(C(C)C)CC1 ZINC000054557552 519909304 /nfs/dbraw/zinc/90/93/04/519909304.db2.gz BOMHFMLFBDVFPL-UHFFFAOYSA-N 1 0 252.427 3.794 10 0 CHAERO CCC[NH2+]C[C@H](CC)O[C@H]1CCCc2ccccc21 ZINC000052627872 519932036 /nfs/dbraw/zinc/93/20/36/519932036.db2.gz GXEYCTYIXWEFAQ-RDJZCZTQSA-N 1 0 261.409 3.859 10 0 CHAERO CC[NH2+]C[C@@]1(OC2CCCCC2)CCC[C@H](C)C1 ZINC000050504102 519957977 /nfs/dbraw/zinc/95/79/77/519957977.db2.gz YCEXJDSHBYXYCS-GOEBONIOSA-N 1 0 253.430 3.894 10 0 CHAERO CC[NH2+]C[C@H](OC(C)(C)C)c1ccccc1Cl ZINC000050483843 519972873 /nfs/dbraw/zinc/97/28/73/519972873.db2.gz HUTDXOFHEMLAEH-ZDUSSCGKSA-N 1 0 255.789 3.806 10 0 CHAERO CC[NH2+]C[C@H](OC1CCC1)c1ccc(Cl)cc1 ZINC000052148757 519973068 /nfs/dbraw/zinc/97/30/68/519973068.db2.gz NUOCULNDQITMIL-AWEZNQCLSA-N 1 0 253.773 3.560 10 0 CHAERO CC[NH2+]C[C@H](O[C@@H](C)CC(C)C)c1ccccc1F ZINC000050489019 519974128 /nfs/dbraw/zinc/97/41/28/519974128.db2.gz DADCRWNXMHWUJZ-BBRMVZONSA-N 1 0 267.388 3.928 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCCCCC2)nc1CC ZINC000054995653 519975405 /nfs/dbraw/zinc/97/54/05/519975405.db2.gz JXOBXFFVSNBLGQ-UHFFFAOYSA-N 1 0 281.469 3.586 10 0 CHAERO CC[NH2+]Cc1ccc(COc2cc(C)cc(C)c2)o1 ZINC000052666387 519998528 /nfs/dbraw/zinc/99/85/28/519998528.db2.gz WVRHHZWGFLVRCE-UHFFFAOYSA-N 1 0 259.349 3.585 10 0 CHAERO CCC[NH2+][C@@H](COCCC)c1ccc(F)cc1C ZINC000055227739 520008962 /nfs/dbraw/zinc/00/89/62/520008962.db2.gz NVPPWJRIXCAHFI-HNNXBMFYSA-N 1 0 253.361 3.601 10 0 CHAERO CCC[NH2+][C@@H](CSC)Cc1ccc(F)cc1Cl ZINC000054496698 520011383 /nfs/dbraw/zinc/01/13/83/520011383.db2.gz MMNDHOQSXHXMBL-GFCCVEGCSA-N 1 0 275.820 3.753 10 0 CHAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@H]1C[C@@H]1C ZINC000052945128 520014082 /nfs/dbraw/zinc/01/40/82/520014082.db2.gz QDVVVBSHHBJJJG-CQDKDKBSSA-N 1 0 251.801 3.907 10 0 CHAERO CCC[NH2+][C@@H](Cc1ncccc1C)c1ccccc1 ZINC000063033906 520016363 /nfs/dbraw/zinc/01/63/63/520016363.db2.gz SDNSWTLCSDBLBC-KRWDZBQOSA-N 1 0 254.377 3.673 10 0 CHAERO CCC[NH2+][C@@H]1CCCc2nc(-c3ccoc3)sc21 ZINC000063046802 520021835 /nfs/dbraw/zinc/02/18/35/520021835.db2.gz KAZSZVSKIYGIRR-LLVKDONJSA-N 1 0 262.378 3.780 10 0 CHAERO CCC[NH2+][C@@H]1CC[C@H](CCC)C[C@H]1OC1CCC1 ZINC000050520377 520026638 /nfs/dbraw/zinc/02/66/38/520026638.db2.gz UAHOPDSYHXNAMI-NUEKZKHPSA-N 1 0 253.430 3.893 10 0 CHAERO CCC[NH2+][C@H](C)[C@@H](C)N1CCC(CC)(CC)CC1 ZINC000062953447 520063488 /nfs/dbraw/zinc/06/34/88/520063488.db2.gz VJWXJPHHYAGBKQ-HUUCEWRRSA-N 1 0 254.462 3.665 10 0 CHAERO CCC[NH2+][C@H](C)c1cnc(N2CCC(CC)CC2)s1 ZINC000054909401 520067307 /nfs/dbraw/zinc/06/73/07/520067307.db2.gz YQICBHFVECBWLL-GFCCVEGCSA-N 1 0 281.469 3.830 10 0 CHAERO CC[NH2+][C@@H](C)c1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000050618771 520080150 /nfs/dbraw/zinc/08/01/50/520080150.db2.gz QBYSEEHJAIQNFY-ZETCQYMHSA-N 1 0 286.162 3.714 10 0 CHAERO CCC[NH2+][C@H](Cc1ncccc1C)c1ccccc1 ZINC000063033907 520089481 /nfs/dbraw/zinc/08/94/81/520089481.db2.gz SDNSWTLCSDBLBC-QGZVFWFLSA-N 1 0 254.377 3.673 10 0 CHAERO CCC[NH2+][C@H](c1sccc1C)[C@@H]1CCCCO1 ZINC000050963057 520092122 /nfs/dbraw/zinc/09/21/22/520092122.db2.gz HIRWCBBRYZDZDT-STQMWFEESA-N 1 0 253.411 3.666 10 0 CHAERO CCC[NH2+][C@H](c1sccc1C)[C@H]1CCCCO1 ZINC000050963061 520093270 /nfs/dbraw/zinc/09/32/70/520093270.db2.gz HIRWCBBRYZDZDT-OLZOCXBDSA-N 1 0 253.411 3.666 10 0 CHAERO CCC[NH2+][C@H]1CCN([C@@H](c2cccs2)C(C)C)C1 ZINC000049557875 520094879 /nfs/dbraw/zinc/09/48/79/520094879.db2.gz ZXWRCYDLJHQVHB-DZGCQCFKSA-N 1 0 266.454 3.519 10 0 CHAERO CC[NH2+][C@@H](Cc1nc(C)cs1)c1cccc(Cl)c1 ZINC000055268913 520108418 /nfs/dbraw/zinc/10/84/18/520108418.db2.gz MAAOPTXFUIYVDA-ZDUSSCGKSA-N 1 0 280.824 3.998 10 0 CHAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@H]1OC1CCC1 ZINC000050519877 520125708 /nfs/dbraw/zinc/12/57/08/520125708.db2.gz XZBXPCKWXMTXEA-IAGOWNOFSA-N 1 0 259.393 3.611 10 0 CHAERO CCCNc1ccc(Cl)c(C[N@@H+]2CCC[C@H]2C)n1 ZINC000061630531 520163109 /nfs/dbraw/zinc/16/31/09/520163109.db2.gz SFTFVPBAAXRXAX-LLVKDONJSA-N 1 0 267.804 3.541 10 0 CHAERO CCCNc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2C)n1 ZINC000061630530 520164048 /nfs/dbraw/zinc/16/40/48/520164048.db2.gz SFTFVPBAAXRXAX-NSHDSACASA-N 1 0 267.804 3.541 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(OCCOC(C)C)c(Cl)c1 ZINC000061698896 520180126 /nfs/dbraw/zinc/18/01/26/520180126.db2.gz KHQGDPMHTCJEBD-GFCCVEGCSA-N 1 0 285.815 3.814 10 0 CHAERO CC[NH2+][C@H](c1ccccc1F)c1ccccc1OC ZINC000052897800 520212284 /nfs/dbraw/zinc/21/22/84/520212284.db2.gz WXQZXCMJBYPSLR-MRXNPFEDSA-N 1 0 259.324 3.533 10 0 CHAERO CC[NH2+][C@H]1CCN(c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000049711923 520217623 /nfs/dbraw/zinc/21/76/23/520217623.db2.gz GWZVJKRDOUIZHA-MFKMUULPSA-N 1 0 287.234 3.960 10 0 CHAERO CCNc1ccc(Cl)c(C[NH+]2CCCCCC2)n1 ZINC000061630695 520309516 /nfs/dbraw/zinc/30/95/16/520309516.db2.gz MKKWHUGVOMXGSV-UHFFFAOYSA-N 1 0 267.804 3.543 10 0 CHAERO CCNc1ccc(Cl)c(C[N@H+](C)[C@H](C)C(C)C)n1 ZINC000061631335 520309918 /nfs/dbraw/zinc/30/99/18/520309918.db2.gz VSLWXINWIWONLE-LLVKDONJSA-N 1 0 269.820 3.643 10 0 CHAERO CCCOc1cccc(-c2nc(C[NH2+]CC)cs2)c1 ZINC000052921144 520438816 /nfs/dbraw/zinc/43/88/16/520438816.db2.gz BQHFHHHZPBFOBD-UHFFFAOYSA-N 1 0 276.405 3.708 10 0 CHAERO CCC[C@@H]([NH2+]Cc1c(C)n[nH]c1C)c1cccs1 ZINC000049541541 520779949 /nfs/dbraw/zinc/77/99/49/520779949.db2.gz RNBJHMAYEFPBSB-CYBMUJFWSA-N 1 0 263.410 3.719 10 0 CHAERO CCCC[C@H](CC)Cn1nc(C)c([C@@H](C)[NH2+]C)c1C ZINC000054717975 521180160 /nfs/dbraw/zinc/18/01/60/521180160.db2.gz MVQMFIXVEWZEEG-DOMZBBRYSA-N 1 0 265.445 3.997 10 0 CHAERO CCC[C@](C)(C[NH2+]CCOC)Cc1ccc(Cl)cc1 ZINC000054657416 521268401 /nfs/dbraw/zinc/26/84/01/521268401.db2.gz LSWSWTBRWQVBCY-INIZCTEOSA-N 1 0 283.843 3.925 10 0 CHAERO CCC(C)(C)[NH2+]CCSc1ccc(OC)cc1 ZINC000053607501 521350626 /nfs/dbraw/zinc/35/06/26/521350626.db2.gz INJMGNWUYKCUPV-UHFFFAOYSA-N 1 0 253.411 3.566 10 0 CHAERO CCN(c1nc(C)c(C[NH2+]C)s1)c1ccccc1C ZINC000054995994 521503274 /nfs/dbraw/zinc/50/32/74/521503274.db2.gz GZVWATZVDBGZDN-UHFFFAOYSA-N 1 0 275.421 3.637 10 0 CHAERO CCCN(CC(F)(F)F)[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052503966 521586849 /nfs/dbraw/zinc/58/68/49/521586849.db2.gz PBBUQZPQGIECHM-GFCCVEGCSA-N 1 0 282.394 3.673 10 0 CHAERO CCCN(CCC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052416897 521649967 /nfs/dbraw/zinc/64/99/67/521649967.db2.gz KRVZNMWDQLQEET-KRWDZBQOSA-N 1 0 260.425 3.602 10 0 CHAERO C[NH2+]CC1(Cc2ccc(F)cc2Cl)CCCC1 ZINC000054655311 521971912 /nfs/dbraw/zinc/97/19/12/521971912.db2.gz QLMAVGJLIGJOMC-UHFFFAOYSA-N 1 0 255.764 3.801 10 0 CHAERO CC[C@H](C)[C@](C)([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703269 522011742 /nfs/dbraw/zinc/01/17/42/522011742.db2.gz HGQLKMBOMZHQIM-CABZTGNLSA-N 1 0 261.287 3.805 10 0 CHAERO C[NH2+]C[C@]1(O[C@@H](C)c2ccccc2)CCC[C@@H](C)C1 ZINC000050504393 522098115 /nfs/dbraw/zinc/09/81/15/522098115.db2.gz FDMFIKRBXPPHMZ-VYDXJSESSA-N 1 0 261.409 3.933 10 0 CHAERO CC[C@H](N)[C@@H](c1ccc(C)s1)[NH+]1CCC(C)(C)CC1 ZINC000061818353 522339694 /nfs/dbraw/zinc/33/96/94/522339694.db2.gz RARGXZLIJZWFIY-ZFWWWQNUSA-N 1 0 280.481 3.957 10 0 CHAERO CC[C@H]([NH3+])[C@H](c1sccc1C)n1nc(C)c(Cl)c1C ZINC000050586259 522347362 /nfs/dbraw/zinc/34/73/62/522347362.db2.gz XUERPDASLZGCSI-WCQYABFASA-N 1 0 297.855 3.850 10 0 CHAERO C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000054440919 522360138 /nfs/dbraw/zinc/36/01/38/522360138.db2.gz HGNGRANMCHXOLT-SJORKVTESA-N 1 0 255.361 3.669 10 0 CHAERO C[NH2+][C@@H](Cc1nc(C)cs1)c1cccc(C)c1C ZINC000055268528 522365136 /nfs/dbraw/zinc/36/51/36/522365136.db2.gz BSWDRQHVSCDYRD-AWEZNQCLSA-N 1 0 260.406 3.572 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2cc(C)ccc2OC)cc1 ZINC000055244055 522443829 /nfs/dbraw/zinc/44/38/29/522443829.db2.gz SNYHJVZKWGKILP-CYBMUJFWSA-N 1 0 255.361 3.951 10 0 CHAERO C[NH2+][C@H](Cc1ccsc1)Cc1ccc(F)cc1Cl ZINC000062608109 522476085 /nfs/dbraw/zinc/47/60/85/522476085.db2.gz FIXWUIYFIWHPMZ-CYBMUJFWSA-N 1 0 283.799 3.914 10 0 CHAERO C[NH2+][C@H](c1ccc(F)cc1C)c1cc(F)ccc1C ZINC000055228428 522479193 /nfs/dbraw/zinc/47/91/93/522479193.db2.gz OJEGWACGWCVKPG-MRXNPFEDSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@H]1CCCN([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000053201269 522499311 /nfs/dbraw/zinc/49/93/11/522499311.db2.gz PKKBRFMKNLASTE-PWSUYJOCSA-N 1 0 287.234 3.738 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)C(C)C ZINC000037236321 522737569 /nfs/dbraw/zinc/73/75/69/522737569.db2.gz FJDGYBLHWDMTNR-WBMJQRKESA-N 1 0 262.397 3.730 10 0 CHAERO CC[C@H]1CCCC[C@H]1OCC[NH2+]CCc1ccsc1 ZINC000053552678 523064869 /nfs/dbraw/zinc/06/48/69/523064869.db2.gz DGTCBJFROQXUEI-JKSUJKDBSA-N 1 0 281.465 3.866 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccc(C)c(C)c1 ZINC000068695220 523323405 /nfs/dbraw/zinc/32/34/05/523323405.db2.gz AQCQJADTAWDONU-ZWKOTPCHSA-N 1 0 274.452 3.512 10 0 CHAERO CCn1cc(C2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC000112697414 523357447 /nfs/dbraw/zinc/35/74/47/523357447.db2.gz GUMLODWMLKOVHY-UHFFFAOYSA-N 1 0 263.429 3.519 10 0 CHAERO CN(Cc1ccsc1)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000054997193 523488749 /nfs/dbraw/zinc/48/87/49/523488749.db2.gz DXZPEXNDXAMOTG-UHFFFAOYSA-N 1 0 295.477 3.597 10 0 CHAERO CC[C@@](C[NH2+]CCOC)(CC(C)C)c1ccccc1 ZINC000054659615 523684216 /nfs/dbraw/zinc/68/42/16/523684216.db2.gz JQQSJRAPASCIMP-KRWDZBQOSA-N 1 0 263.425 3.617 10 0 CHAERO CC[C@H](C)[NH2+]C[C@H](C)Oc1cc(C)ccc1Cl ZINC000053586963 524003630 /nfs/dbraw/zinc/00/36/30/524003630.db2.gz KLKSFUOGQBNKRI-RYUDHWBXSA-N 1 0 255.789 3.804 10 0 CHAERO CCc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)C(C)C)s1 ZINC000049199612 524027433 /nfs/dbraw/zinc/02/74/33/524027433.db2.gz AEOASPYIJMFDFC-TZMCWYRMSA-N 1 0 268.470 3.547 10 0 CHAERO CCc1ccc([C@@]2(C)C[C@H]2C[NH2+]CC(C)C)s1 ZINC000054598212 524041329 /nfs/dbraw/zinc/04/13/29/524041329.db2.gz KXUOQQPGHFWOAD-WFASDCNBSA-N 1 0 251.439 3.834 10 0 CHAERO CCc1ccc([C@](C)([NH3+])c2ccc(F)c(F)c2)cc1 ZINC000055237128 524057145 /nfs/dbraw/zinc/05/71/45/524057145.db2.gz FKHBVIZGDNJWCU-INIZCTEOSA-N 1 0 261.315 3.749 10 0 CHAERO COc1ccc(C[C@@H](C[NH3+])Cc2ccc(Cl)s2)cc1 ZINC000052947724 524138729 /nfs/dbraw/zinc/13/87/29/524138729.db2.gz CFWYFSRWDXXQEP-GFCCVEGCSA-N 1 0 295.835 3.770 10 0 CHAERO C[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2C[NH3+])C1 ZINC000052858408 524151600 /nfs/dbraw/zinc/15/16/00/524151600.db2.gz FVLKBPXZADLQJI-GXFFZTMASA-N 1 0 253.773 3.756 10 0 CHAERO C[C@H]1CCC[C@@H](Sc2nc3c(cc2C[NH3+])CCC3)C1 ZINC000054692449 524154887 /nfs/dbraw/zinc/15/48/87/524154887.db2.gz IXBZUWNFFSKTSX-SMDDNHRTSA-N 1 0 276.449 3.700 10 0 CHAERO C[C@@H]1CCCC[C@H]1[NH2+]CCOc1cc(F)cc(F)c1 ZINC000054935075 524172654 /nfs/dbraw/zinc/17/26/54/524172654.db2.gz VHTYSJDDKHMUOY-IAQYHMDHSA-N 1 0 269.335 3.512 10 0 CHAERO C[C@@H]1CCCC[C@]1([NH3+])Cc1c(F)cccc1Cl ZINC000049346435 524179078 /nfs/dbraw/zinc/17/90/78/524179078.db2.gz RBYKDTMKTGGJFS-YGRLFVJLSA-N 1 0 255.764 3.929 10 0 CHAERO COc1ccc(Cl)cc1C[C@H](C[NH3+])CC(C)C ZINC000052946894 524213971 /nfs/dbraw/zinc/21/39/71/524213971.db2.gz YTZLJQJGUGRPMS-LLVKDONJSA-N 1 0 255.789 3.512 10 0 CHAERO C[C@@H]1CCC[C@H](Oc2ccc(Cl)cc2C[NH3+])C1 ZINC000052858405 524412072 /nfs/dbraw/zinc/41/20/72/524412072.db2.gz FVLKBPXZADLQJI-MFKMUULPSA-N 1 0 253.773 3.756 10 0 CHAERO C[C@H](C[NH2+]C(C)(C)C)CN(Cc1cccs1)C1CC1 ZINC000052370654 524476065 /nfs/dbraw/zinc/47/60/65/524476065.db2.gz RGLNEOOEOBXARQ-CYBMUJFWSA-N 1 0 280.481 3.737 10 0 CHAERO C[C@H]1CN(c2cc(Cl)c(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000049712101 524665471 /nfs/dbraw/zinc/66/54/71/524665471.db2.gz BJTIHYFIMXFZRS-CPCISQLKSA-N 1 0 293.625 3.820 10 0 CHAERO C[C@H]1CN(Cc2ccccc2Cl)c2ccccc2C[NH2+]1 ZINC000062673117 524636038 /nfs/dbraw/zinc/63/60/38/524636038.db2.gz JTNWNHZOAOCTHM-ZDUSSCGKSA-N 1 0 286.806 3.838 10 0 CHAERO C[C@H]([NH3+])c1cccc(OCc2ccc(F)cc2F)c1 ZINC000050871950 524869299 /nfs/dbraw/zinc/86/92/99/524869299.db2.gz MTZBBOTXGQXJLE-JTQLQIEISA-N 1 0 263.287 3.564 10 0 CHAERO COc1cncc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000290061481 524923427 /nfs/dbraw/zinc/92/34/27/524923427.db2.gz VPUBBXKNWBOMRL-JTQLQIEISA-N 1 0 294.757 3.734 10 0 CHAERO Cc1cc(F)ccc1[C@@H](CN)[N@@H+](C)[C@@H](C)CC(C)C ZINC000050579087 525001751 /nfs/dbraw/zinc/00/17/51/525001751.db2.gz DEHOEOGBVSZYPU-XJKSGUPXSA-N 1 0 266.404 3.500 10 0 CHAERO Cc1cc(F)ccc1[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000055226616 525005451 /nfs/dbraw/zinc/00/54/51/525005451.db2.gz OODZTPAFKCWCAA-AWEZNQCLSA-N 1 0 269.241 3.600 10 0 CHAERO Cc1ccccc1-c1csc(C[NH2+]CC(C)C)n1 ZINC000061801246 525006413 /nfs/dbraw/zinc/00/64/13/525006413.db2.gz KOVRVANAJBODCU-UHFFFAOYSA-N 1 0 260.406 3.864 10 0 CHAERO C[C@@H]([NH3+])c1ccc(OCc2ccco2)c(Br)c1 ZINC000061698724 525028706 /nfs/dbraw/zinc/02/87/06/525028706.db2.gz MTKRWGBCRWBPOM-SECBINFHSA-N 1 0 296.164 3.641 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000281683074 525241068 /nfs/dbraw/zinc/24/10/68/525241068.db2.gz RNWDSPJEXOALCQ-XFMPKHEZSA-N 1 0 279.449 3.919 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cc3ccccc3o2)C[C@H](C)O1 ZINC000282304254 525241772 /nfs/dbraw/zinc/24/17/72/525241772.db2.gz SBHOYKWCKUZOGT-BTTYYORXSA-N 1 0 273.376 3.726 10 0 CHAERO Cc1ccc(O)c(C[NH2+][C@H](c2ccccc2)C(C)C)n1 ZINC000103341216 525354583 /nfs/dbraw/zinc/35/45/83/525354583.db2.gz LHRKZPJCOYOWOV-KRWDZBQOSA-N 1 0 270.376 3.583 10 0 CHAERO Cc1ccccc1[C@H]([NH2+][C@H](C)CCCO)c1ccccc1 ZINC000094941976 525431942 /nfs/dbraw/zinc/43/19/42/525431942.db2.gz NIGGRYPVEXZAQR-VQIMIIECSA-N 1 0 283.415 3.835 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cnc2ccsc2c1 ZINC000085433302 525524067 /nfs/dbraw/zinc/52/40/67/525524067.db2.gz VRJIBFZSOYLHRE-MJVIPROJSA-N 1 0 276.405 3.514 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000051769887 525552870 /nfs/dbraw/zinc/55/28/70/525552870.db2.gz KTDHDPRSFKNGIY-FZZIBODNSA-N 1 0 288.218 3.948 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H](C)Sc2sccc21)[C@@H]1CCCO1 ZINC000130318021 525636853 /nfs/dbraw/zinc/63/68/53/525636853.db2.gz OTUBDSCDFPYMEV-UKJIMTQDSA-N 1 0 283.462 3.831 10 0 CHAERO Cc1ccsc1C[NH2+]CCn1ccc2ccccc21 ZINC000053524484 525859535 /nfs/dbraw/zinc/85/95/35/525859535.db2.gz GOXBXZBCXLIUPI-UHFFFAOYSA-N 1 0 270.401 3.801 10 0 CHAERO C[C@H](Oc1cc(Cl)ccc1C(N)=[NH2+])c1ccccc1 ZINC000062789084 525922812 /nfs/dbraw/zinc/92/28/12/525922812.db2.gz SYXOQQMGRGEWAX-JTQLQIEISA-N 1 0 274.751 3.764 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2cncc(F)c2)c(C)c1 ZINC000275162149 525931052 /nfs/dbraw/zinc/93/10/52/525931052.db2.gz JDCRAZCDUSJALJ-ZDUSSCGKSA-N 1 0 258.340 3.688 10 0 CHAERO C[C@H](c1ccc(Cl)s1)n1c(N)[nH+]c2ccccc21 ZINC000049146648 526055983 /nfs/dbraw/zinc/05/59/83/526055983.db2.gz AKVDOXQOFQAXCW-MRVPVSSYSA-N 1 0 277.780 3.943 10 0 CHAERO COc1cccc(C[C@H](C[NH3+])Cc2ccc(Cl)s2)c1 ZINC000052948133 526079170 /nfs/dbraw/zinc/07/91/70/526079170.db2.gz DWUDQFAZABUVOA-LBPRGKRZSA-N 1 0 295.835 3.770 10 0 CHAERO C[C@H](c1ccccc1)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062671254 526099950 /nfs/dbraw/zinc/09/99/50/526099950.db2.gz YQDOJERAAFEZFD-APWZRJJASA-N 1 0 280.415 3.784 10 0 CHAERO C[C@H](c1cccs1)N(C)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860142 526155751 /nfs/dbraw/zinc/15/57/51/526155751.db2.gz CKZTWCBBBMHZPF-SECBINFHSA-N 1 0 293.823 3.883 10 0 CHAERO C[C@H](c1nc(-c2ccccc2)no1)[C@H]([NH3+])c1ccccc1 ZINC000157947262 526169591 /nfs/dbraw/zinc/16/95/91/526169591.db2.gz HUHHYQLXKLBWNN-WFASDCNBSA-N 1 0 279.343 3.540 10 0 CHAERO Fc1ccc(SCCC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000052782862 526359263 /nfs/dbraw/zinc/35/92/63/526359263.db2.gz XLVDFZOOYKQXPN-NSHDSACASA-N 1 0 257.349 3.589 10 0 CHAERO Cc1csc(C[C@@H]([NH3+])Cc2ccc(C(C)C)cc2)n1 ZINC000055267829 526367287 /nfs/dbraw/zinc/36/72/87/526367287.db2.gz XRPYFIIGEMSDQJ-HNNXBMFYSA-N 1 0 274.433 3.687 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000052274791 526661353 /nfs/dbraw/zinc/66/13/53/526661353.db2.gz VZYIWYKUZYFDHK-ATZCPNFKSA-N 1 0 252.427 3.808 10 0 CHAERO Cc1nc(C2([NH3+])CCC(C(C)C)CC2)sc1C ZINC000054557534 526767232 /nfs/dbraw/zinc/76/72/32/526767232.db2.gz OAPCPLPLESAQBP-UHFFFAOYSA-N 1 0 252.427 3.760 10 0 CHAERO Cc1oc(C[NH2+]C(C)(C)C)cc1COC(C)(C)C ZINC000052629777 526774158 /nfs/dbraw/zinc/77/41/58/526774158.db2.gz XHJBDWMRGWLKKQ-UHFFFAOYSA-N 1 0 253.386 3.791 10 0 CHAERO Cc1oc(C[NH2+]CC(C)C)cc1COCCC(C)C ZINC000052624805 526774289 /nfs/dbraw/zinc/77/42/89/526774289.db2.gz JUVAFIZEOLOBKN-UHFFFAOYSA-N 1 0 267.413 3.896 10 0 CHAERO [NH2+]=C1CCCCN1c1ccccc1SC(F)F ZINC000049583999 526839708 /nfs/dbraw/zinc/83/97/08/526839708.db2.gz LFHKSFOXYGRPOJ-UHFFFAOYSA-N 1 0 256.321 3.969 10 0 CHAERO Cc1sc(C[C@@H](C)[NH3+])nc1-c1cccc(Cl)c1 ZINC000054160957 526878411 /nfs/dbraw/zinc/87/84/11/526878411.db2.gz WBEHWPVVICPVPI-MRVPVSSYSA-N 1 0 266.797 3.662 10 0 CHAERO Clc1cc(Cl)cc(N2CC[C@H](C[NH2+]C3CC3)C2)c1 ZINC000053010713 526928615 /nfs/dbraw/zinc/92/86/15/526928615.db2.gz HLXJWICTJNXVJZ-SNVBAGLBSA-N 1 0 285.218 3.572 10 0 CHAERO Clc1cc2c(s1)CCC[C@@H]2[NH2+]CC1CCOCC1 ZINC000128334786 526931874 /nfs/dbraw/zinc/93/18/74/526931874.db2.gz LVEXPIFTDOYEAA-LBPRGKRZSA-N 1 0 285.840 3.795 10 0 CHAERO [NH3+]C1(c2noc(-c3ccc(F)cc3Cl)n2)CCCCC1 ZINC000041153485 527132945 /nfs/dbraw/zinc/13/29/45/527132945.db2.gz FTALWMJZAAAOPG-UHFFFAOYSA-N 1 0 295.745 3.647 10 0 CHAERO [NH3+]C[C@@H](Oc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000054932408 527205921 /nfs/dbraw/zinc/20/59/21/527205921.db2.gz PVZXLIXUXDDJDU-CQSZACIVSA-N 1 0 283.705 3.697 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1Br)CC1CCCC1 ZINC000055335331 527338081 /nfs/dbraw/zinc/33/80/81/527338081.db2.gz IUBVVLHPWMHRTF-CYBMUJFWSA-N 1 0 282.225 3.899 10 0 CHAERO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000050518347 527388539 /nfs/dbraw/zinc/38/85/39/527388539.db2.gz GZYJZEBXXAGDCI-LLVKDONJSA-N 1 0 255.239 3.541 10 0 CHAERO Cn1cccc1C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131253069 527398758 /nfs/dbraw/zinc/39/87/58/527398758.db2.gz YQJXUYAZXKQDJN-KRWDZBQOSA-N 1 0 296.414 3.951 10 0 CHAERO Nc1cccc(CCCC[NH2+]C2CCCCCC2)c1 ZINC000049848515 527516689 /nfs/dbraw/zinc/51/66/89/527516689.db2.gz FDGZKTMGCSTREN-UHFFFAOYSA-N 1 0 260.425 3.904 10 0 CHAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000253097417 527670579 /nfs/dbraw/zinc/67/05/79/527670579.db2.gz ROZNZZNGAMKCRC-CDFAJYJUSA-N 1 0 285.431 3.715 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1c(Cl)cccc1Cl ZINC000083536526 535825016 /nfs/dbraw/zinc/82/50/16/535825016.db2.gz LWKZCFNYITYYIF-VHSXEESVSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(C)c1C ZINC000083441698 535825383 /nfs/dbraw/zinc/82/53/83/535825383.db2.gz CQFUCXFWNSMTEN-HZPDHXFCSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cc(Cl)ccc1Cl ZINC000083536514 536169705 /nfs/dbraw/zinc/16/97/05/536169705.db2.gz RNUCMGNTJHEGEJ-KOLCDFICSA-N 1 0 273.207 3.570 10 0 CHAERO [NH3+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000050329883 567893847 /nfs/dbraw/zinc/89/38/47/567893847.db2.gz OHEZFCJRANVAOW-JTQLQIEISA-N 1 0 264.781 3.800 10 0 CHAERO CC[C@H]([NH2+]Cc1cccnc1Br)C(C)(C)C ZINC000669379457 566950872 /nfs/dbraw/zinc/95/08/72/566950872.db2.gz CIDMPHVNDQAUEY-NSHDSACASA-N 1 0 285.229 3.758 10 0 CHAERO CC[C@H](C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000238854763 566965770 /nfs/dbraw/zinc/96/57/70/566965770.db2.gz PFYRCLBCOBRGKN-SOUVJXGZSA-N 1 0 298.471 3.706 10 0 CHAERO CCC[C@H]([NH3+])c1cc2cccc(Br)c2o1 ZINC000083821462 567027511 /nfs/dbraw/zinc/02/75/11/567027511.db2.gz LMVNITAOQCKNHK-JTQLQIEISA-N 1 0 268.154 3.995 10 0 CHAERO COc1ccc(CC[NH2+]Cc2cn(C)c3ccccc23)cc1 ZINC000057353186 567895091 /nfs/dbraw/zinc/89/50/91/567895091.db2.gz HSQVBJVECIFFPS-UHFFFAOYSA-N 1 0 294.398 3.519 10 0 CHAERO C[NH2+][C@@H](CN(C)CCCCc1ccccc1)c1ccccc1 ZINC000725256005 567915357 /nfs/dbraw/zinc/91/53/57/567915357.db2.gz QYDIFIQDIDBNBX-FQEVSTJZSA-N 1 0 296.458 3.902 10 0 CHAERO COCC[C@@H](C[NH2+]C1CCCCC1)c1ccccc1 ZINC000725266756 567923744 /nfs/dbraw/zinc/92/37/44/567923744.db2.gz BNEGWRCNYRFXSH-INIZCTEOSA-N 1 0 261.409 3.729 10 0 CHAERO COCCC1(CC[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000725266907 567923819 /nfs/dbraw/zinc/92/38/19/567923819.db2.gz MFIDTUWWKLRFAG-HNNXBMFYSA-N 1 0 261.409 3.934 10 0 CHAERO C=C(OCC)c1cc(Cl)ccc1C[NH2+]C1CC1 ZINC000725268159 567924130 /nfs/dbraw/zinc/92/41/30/567924130.db2.gz GZPDVTCHOCUXFX-UHFFFAOYSA-N 1 0 251.757 3.599 10 0 CHAERO CCn1cc(C(F)F)c(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC000725271096 567924805 /nfs/dbraw/zinc/92/48/05/567924805.db2.gz XIAPEUVZRRCOKF-VIFPVBQESA-N 1 0 265.307 3.527 10 0 CHAERO [NH3+]Cc1ncc(-c2cc(Cl)ccc2Cl)s1 ZINC000308933082 567929540 /nfs/dbraw/zinc/92/95/40/567929540.db2.gz CAKNSBHYPNJNBW-UHFFFAOYSA-N 1 0 259.161 3.576 10 0 CHAERO Clc1sccc1[C@@H]1NCCc2sccc21 ZINC000397160443 570290113 /nfs/dbraw/zinc/29/01/13/570290113.db2.gz SYWGSFZKURFMEX-SNVBAGLBSA-N 1 0 255.795 3.698 10 0 CHAERO C[C@H](c1ccncn1)N(C)Cc1ccccc1C(F)(F)F ZINC000215827168 570304275 /nfs/dbraw/zinc/30/42/75/570304275.db2.gz OOZYBCIVFCJCBF-LLVKDONJSA-N 1 0 295.308 3.688 10 0 CHAERO Brc1ccc([C@H]2C[NH2+]CC23CCCC3)cc1 ZINC000217243544 570306842 /nfs/dbraw/zinc/30/68/42/570306842.db2.gz UKRWMPBZCHEKHM-CYBMUJFWSA-N 1 0 280.209 3.696 10 0 CHAERO CCC[C@]1(C)[C@H]([NH3+])[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000669384409 570352863 /nfs/dbraw/zinc/35/28/63/570352863.db2.gz VNKONQPTWILHRC-QDEZUTFSSA-N 1 0 296.455 3.540 10 0 CHAERO CC(C)[C@]1([NH+]2CCCC2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685960907 570406833 /nfs/dbraw/zinc/40/68/33/570406833.db2.gz GUPDMMNQWPZKPO-KRWDZBQOSA-N 1 0 296.455 3.508 10 0 CHAERO c1cc(Cc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000013805455 581092077 /nfs/dbraw/zinc/09/20/77/581092077.db2.gz KWMQPEMOIAWRBF-UHFFFAOYSA-N 1 0 287.428 3.814 10 0 CHAERO Cc1cccc(C2CC([NH2+]C[C@@H]3CCO[C@H](C)C3)C2)c1 ZINC000364240094 1118046587 /nfs/dbraw/zinc/04/65/87/1118046587.db2.gz WGJVJYHIOQLGLB-RCDYEMGKSA-N 1 0 273.420 3.646 10 0 CHAERO CC(C)(C)C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1 ZINC000367683951 1118055527 /nfs/dbraw/zinc/05/55/27/1118055527.db2.gz DWVRVRGLXKEJGJ-WCXIOVBPSA-N 1 0 273.420 3.646 10 0 CHAERO CC(C)[N@H+](CC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000102768783 1118208662 /nfs/dbraw/zinc/20/86/62/1118208662.db2.gz ROPINEGOENQQDO-UHFFFAOYSA-N 1 0 292.398 3.807 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000368496822 1119370643 /nfs/dbraw/zinc/37/06/43/1119370643.db2.gz SFYFFHNFQZGZPF-HKWIRBFKSA-N 1 0 286.202 3.536 10 0 CHAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc2c(c1)OCO2 ZINC000192750515 1123814921 /nfs/dbraw/zinc/81/49/21/1123814921.db2.gz CIFKZOBRZMLHJJ-WFASDCNBSA-N 1 0 297.354 3.590 10 0 CHAERO CCCc1nc(Cc2ccc(Cl)cc2)sc1C[NH3+] ZINC000082426955 178002266 /nfs/dbraw/zinc/00/22/66/178002266.db2.gz VKPGMVVTYHVPAS-UHFFFAOYSA-N 1 0 280.824 3.799 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccco2)nc1C(C)C ZINC000082431381 178008839 /nfs/dbraw/zinc/00/88/39/178008839.db2.gz IECYESUCMGRGCC-UHFFFAOYSA-N 1 0 250.367 3.636 10 0 CHAERO CCOc1cccc(-c2nc(C(C)C)c(C[NH3+])s2)c1 ZINC000082431106 178009160 /nfs/dbraw/zinc/00/91/60/178009160.db2.gz IXSQBGLDHOBFQN-UHFFFAOYSA-N 1 0 276.405 3.791 10 0 CHAERO C[NH2+]Cc1sc(-c2cccc(C)c2)nc1C1CC1 ZINC000082435601 178013432 /nfs/dbraw/zinc/01/34/32/178013432.db2.gz CHFUWBFQCFCOHL-UHFFFAOYSA-N 1 0 258.390 3.715 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccncc2)nc1C(C)(C)C ZINC000082439275 178017637 /nfs/dbraw/zinc/01/76/37/178017637.db2.gz AJLUWNOWPIJSIE-UHFFFAOYSA-N 1 0 275.421 3.612 10 0 CHAERO CC(C)Cc1nc(C(C)(C)C)c(C[NH2+]C2CC2)s1 ZINC000082439987 178018746 /nfs/dbraw/zinc/01/87/46/178018746.db2.gz XEXHCYAASSMQLN-UHFFFAOYSA-N 1 0 266.454 3.891 10 0 CHAERO CC(C)(C)c1nc(-c2cccs2)sc1C[NH3+] ZINC000082440563 178019410 /nfs/dbraw/zinc/01/94/10/178019410.db2.gz WTJCUIMMQFFRJX-UHFFFAOYSA-N 1 0 252.408 3.628 10 0 CHAERO Fc1ccc(C[NH2+]CCCSC(F)(F)F)cc1 ZINC000095918332 185030980 /nfs/dbraw/zinc/03/09/80/185030980.db2.gz BDRQEXPWYASVHW-UHFFFAOYSA-N 1 0 267.291 3.558 10 0 CHAERO [NH3+]Cc1cscc1-c1ccc(Br)s1 ZINC000082585349 178120493 /nfs/dbraw/zinc/12/04/93/178120493.db2.gz HBNHWPXBOLWCOZ-UHFFFAOYSA-N 1 0 274.208 3.698 10 0 CHAERO Cc1noc(C)c1C[NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000095983378 185054373 /nfs/dbraw/zinc/05/43/73/185054373.db2.gz RZIDGAGVRNHTOD-DUVNUKRYSA-N 1 0 262.397 3.596 10 0 CHAERO C[C@@H]([NH3+])c1ccc(F)c(-c2cc(F)cc(F)c2)c1 ZINC000082707001 178215344 /nfs/dbraw/zinc/21/53/44/178215344.db2.gz VSPMBPNJEDZAKH-MRVPVSSYSA-N 1 0 251.251 3.791 10 0 CHAERO COc1ccc(C)cc1-c1cc([C@@H](C)[NH3+])ccc1F ZINC000082707284 178215986 /nfs/dbraw/zinc/21/59/86/178215986.db2.gz TWWQJEXVHNWAKF-LLVKDONJSA-N 1 0 259.324 3.829 10 0 CHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2cc(F)ccc2OC)c1 ZINC000082710208 178221809 /nfs/dbraw/zinc/22/18/09/178221809.db2.gz JTQFSVKSJMKSHZ-SNVBAGLBSA-N 1 0 277.314 3.921 10 0 CHAERO CC[C@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000083160718 178345354 /nfs/dbraw/zinc/34/53/54/178345354.db2.gz RBUTVFJUZZTIGR-VIFPVBQESA-N 1 0 254.127 3.605 10 0 CHAERO CC[C@@H]([NH3+])c1c(C)cc(C)c(Br)c1C ZINC000083166784 178348272 /nfs/dbraw/zinc/34/82/72/178348272.db2.gz VGIJQCKLDMOJTG-SNVBAGLBSA-N 1 0 256.187 3.784 10 0 CHAERO C[C@@H]([NH3+])c1cc2cccc(Br)c2s1 ZINC000096884436 185120220 /nfs/dbraw/zinc/12/02/20/185120220.db2.gz HYHORQHFGFBIIJ-ZCFIWIBFSA-N 1 0 256.168 3.684 10 0 CHAERO Cc1ccc([C@H]([NH3+])Cc2ccccc2Br)o1 ZINC000096978598 185145178 /nfs/dbraw/zinc/14/51/78/185145178.db2.gz ADWXSNKGRONNKY-GFCCVEGCSA-N 1 0 280.165 3.593 10 0 CHAERO C(\C[NH+]1CCCCC1)=C(\c1ccccc1)c1ccccn1 ZINC000098179922 185698324 /nfs/dbraw/zinc/69/83/24/185698324.db2.gz LRVFUICSZLJCLM-LDADJPATSA-N 1 0 278.399 3.999 10 0 CHAERO CCC1(CC)CC[NH+]([C@H]2CCCCCC[C@H]2O)CC1 ZINC000103977699 185873695 /nfs/dbraw/zinc/87/36/95/185873695.db2.gz PZUMUVLGWSDBET-JKSUJKDBSA-N 1 0 267.457 3.972 10 0 CHAERO CCc1cc(OCC[NH2+][C@@H](C)C(C)C)ccc1Cl ZINC000104003967 185880180 /nfs/dbraw/zinc/88/01/80/185880180.db2.gz LHYFZSOHUSMJIQ-LBPRGKRZSA-N 1 0 269.816 3.915 10 0 CHAERO CCc1nc(-c2cc(Cl)cc(Cl)c2)[nH+]c(NN)c1C ZINC000104163512 185914178 /nfs/dbraw/zinc/91/41/78/185914178.db2.gz DQRSXDXTQAUFHG-UHFFFAOYSA-N 1 0 297.189 3.607 10 0 CHAERO C[NH2+][C@H](CCc1cccs1)Cc1ccccc1C ZINC000104271914 185950291 /nfs/dbraw/zinc/95/02/91/185950291.db2.gz HEPCDMMVGYFIFQ-OAHLLOKOSA-N 1 0 259.418 3.820 10 0 CHAERO [NH3+][C@@H]1c2ccccc2CC[C@H]1CCc1cccs1 ZINC000104277457 185952112 /nfs/dbraw/zinc/95/21/12/185952112.db2.gz FYBVNUUTFVQWQR-BBRMVZONSA-N 1 0 257.402 3.943 10 0 CHAERO CC(C)C[NH2+]Cc1c(SC(C)C)nc2ccccn21 ZINC000104286328 185954766 /nfs/dbraw/zinc/95/47/66/185954766.db2.gz KWCZKQPSRWHBSN-UHFFFAOYSA-N 1 0 277.437 3.580 10 0 CHAERO CC[C@@H](C)Sc1c(F)cc(C[C@@H](C)[NH3+])cc1F ZINC000104285380 185954892 /nfs/dbraw/zinc/95/48/92/185954892.db2.gz ILXNIAIPXKMUJA-RKDXNWHRSA-N 1 0 259.365 3.745 10 0 CHAERO CC[C@@H]([NH3+])Cc1cc(F)c(SCC(C)C)c(F)c1 ZINC000104285430 185955060 /nfs/dbraw/zinc/95/50/60/185955060.db2.gz CZIYIPVWPILLDK-LLVKDONJSA-N 1 0 273.392 3.993 10 0 CHAERO CCCn1nc(C)c(-c2ccccc2[C@H](C)[NH3+])c1C ZINC000104289620 185956312 /nfs/dbraw/zinc/95/63/12/185956312.db2.gz QTXXTYJWDDMNMP-NSHDSACASA-N 1 0 257.381 3.597 10 0 CHAERO Cc1cccc(COc2cc(C)ccc2[C@@H](C)[NH3+])c1 ZINC000104341236 185975808 /nfs/dbraw/zinc/97/58/08/185975808.db2.gz CXZICUACGVUCMV-CQSZACIVSA-N 1 0 255.361 3.902 10 0 CHAERO CC[NH2+][C@H](c1cc(C)ccn1)c1ccc(F)cc1C ZINC000104429213 185999762 /nfs/dbraw/zinc/99/97/62/185999762.db2.gz AJBVERWYNHIDMO-INIZCTEOSA-N 1 0 258.340 3.536 10 0 CHAERO CCC[NH2+]CCCCOc1ccccc1SC ZINC000110984847 186339430 /nfs/dbraw/zinc/33/94/30/186339430.db2.gz LIRMWDAWROXBAR-UHFFFAOYSA-N 1 0 253.411 3.567 10 0 CHAERO C[NH2+][C@H](C)c1cc(F)ccc1-n1nc(C)c(Cl)c1C ZINC000050586967 184565085 /nfs/dbraw/zinc/56/50/85/184565085.db2.gz XGPHAFKNOIXWMR-MRVPVSSYSA-N 1 0 281.762 3.562 10 0 CHAERO CC[NH2+]Cc1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000036281608 260036337 /nfs/dbraw/zinc/03/63/37/260036337.db2.gz ZSPZQUDHQMDUIH-UHFFFAOYSA-N 1 0 288.778 3.702 10 0 CHAERO [NH3+][C@@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000037029122 260063466 /nfs/dbraw/zinc/06/34/66/260063466.db2.gz FUMXUTRZTHJINS-ZDUSSCGKSA-N 1 0 292.741 3.508 10 0 CHAERO CC(C)c1cccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)c1 ZINC000083441469 135021374 /nfs/dbraw/zinc/02/13/74/135021374.db2.gz GXBQHYIIAYAPKG-WMLDXEAASA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@@H]1CN(c2cccc(C)c2C)[C@H](C(C)C)C[NH2+]1 ZINC000083441827 135022055 /nfs/dbraw/zinc/02/20/55/135022055.db2.gz FOUZXNBXPCCBDJ-WBVHZDCISA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1CN(c2cccc(Cl)c2C)[C@@H](CC)C[NH2+]1 ZINC000083493746 135024520 /nfs/dbraw/zinc/02/45/20/135024520.db2.gz AOBVESSKZZKYAE-STQMWFEESA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(C)c(Cl)c1 ZINC000083493749 135024630 /nfs/dbraw/zinc/02/46/30/135024630.db2.gz SXVNMPBGAJIFLW-QWHCGFSZSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@H]1CN(c2cc(Cl)ccc2C)[C@@H](CC)C[NH2+]1 ZINC000083493754 135024784 /nfs/dbraw/zinc/02/47/84/135024784.db2.gz FVOGWRHTYCGTTK-KBPBESRZSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@@H]1CN(c2cc(Cl)ccc2C)[C@@H](CC)C[NH2+]1 ZINC000083493752 135024795 /nfs/dbraw/zinc/02/47/95/135024795.db2.gz FVOGWRHTYCGTTK-KGLIPLIRSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1cccc(Cl)c1C ZINC000083493745 135024806 /nfs/dbraw/zinc/02/48/06/135024806.db2.gz AOBVESSKZZKYAE-QWHCGFSZSA-N 1 0 266.816 3.615 10 0 CHAERO Cc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1C ZINC000083542089 135028576 /nfs/dbraw/zinc/02/85/76/135028576.db2.gz OYKJSYIAXWMJRN-QZTJIDSGSA-N 1 0 274.452 3.762 10 0 CHAERO Cc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1F ZINC000083587407 135030037 /nfs/dbraw/zinc/03/00/37/135030037.db2.gz ZHRODINNALUEBF-IAGOWNOFSA-N 1 0 278.415 3.593 10 0 CHAERO CC[C@@H]1CN(c2cccc(SC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083587511 135030694 /nfs/dbraw/zinc/03/06/94/135030694.db2.gz YEGOJGQFNNLXLU-CJNGLKHVSA-N 1 0 278.465 3.621 10 0 CHAERO COc1ccccc1[C@@H](c1ccccc1)[n+]1ccccc1 ZINC000005361998 170089661 /nfs/dbraw/zinc/08/96/61/170089661.db2.gz FLUKCVHRLHKDIK-LJQANCHMSA-N 1 0 276.359 3.620 10 0 CHAERO C[NH2+]CCCCCC(=O)c1cccc2ccccc21 ZINC000005377690 170091052 /nfs/dbraw/zinc/09/10/52/170091052.db2.gz QYPYDENQAWZMNZ-UHFFFAOYSA-N 1 0 255.361 3.802 10 0 CHAERO [NH3+]Cc1ccccc1-c1ccc(Br)cc1 ZINC000005764194 170138376 /nfs/dbraw/zinc/13/83/76/170138376.db2.gz UJARQLYSSZBNEH-UHFFFAOYSA-N 1 0 262.150 3.575 10 0 CHAERO CC[NH+](CC)CCn1c2cc(C)c(C)cc2[nH]c1=S ZINC000006869549 170251483 /nfs/dbraw/zinc/25/14/83/170251483.db2.gz JTVVGIMDLFGPFV-UHFFFAOYSA-N 1 0 277.437 3.658 10 0 CHAERO CN(C)c1cc[n+](Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000007750211 170300385 /nfs/dbraw/zinc/30/03/85/170300385.db2.gz IPMPOJHIUNHPOG-UHFFFAOYSA-N 1 0 289.402 3.755 10 0 in-vitro CHAERO O=C(C[NH2+]C1CCCCCCC1)Nc1ccccc1Cl ZINC000008131052 170320108 /nfs/dbraw/zinc/32/01/08/170320108.db2.gz GTOFEHXKEVLZBK-UHFFFAOYSA-N 1 0 294.826 3.981 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)c2ccc(Cl)cc2)C1 ZINC000009997489 170394492 /nfs/dbraw/zinc/39/44/92/170394492.db2.gz JSIPRAGSJLDYGQ-TXEJJXNPSA-N 1 0 265.784 3.501 10 0 CHAERO CCOc1cccc([C@@H]([NH3+])Cc2ccc(CC)cc2)c1 ZINC000011603115 170425682 /nfs/dbraw/zinc/42/56/82/170425682.db2.gz LWDQYNKHAJEFEN-SFHVURJKSA-N 1 0 269.388 3.890 10 0 CHAERO CCOc1cccc([C@H]([NH3+])Cc2cccc(Cl)c2)c1 ZINC000011604033 170426424 /nfs/dbraw/zinc/42/64/24/170426424.db2.gz ULNAHYRTSBIGCE-MRXNPFEDSA-N 1 0 275.779 3.981 10 0 CHAERO CC(C)c1ccc(OCc2ccccc2C[NH3+])cc1 ZINC000011944892 170459761 /nfs/dbraw/zinc/45/97/61/170459761.db2.gz QIJVCIVGWXXJQJ-UHFFFAOYSA-N 1 0 255.361 3.848 10 0 CHAERO CC[C@H](C)C[C@H](CC)[NH2+]CCN(C(C)C)C(C)C ZINC000019231976 170757263 /nfs/dbraw/zinc/75/72/63/170757263.db2.gz BLAFONXJGOVQFG-HOTGVXAUSA-N 1 0 256.478 3.910 10 0 CHAERO C[C@H](OCc1cc(C[NH3+])ccc1F)c1ccccc1 ZINC000019278489 170770354 /nfs/dbraw/zinc/77/03/54/170770354.db2.gz ODVXAJDQPVNAGD-LBPRGKRZSA-N 1 0 259.324 3.562 10 0 CHAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1ccccc1 ZINC000019517972 170824004 /nfs/dbraw/zinc/82/40/04/170824004.db2.gz KORAHJJYMARGAH-AWEZNQCLSA-N 1 0 276.177 3.692 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000019865529 170899046 /nfs/dbraw/zinc/89/90/46/170899046.db2.gz PBNWHMTUWKROAG-UHFFFAOYSA-N 1 0 267.250 3.956 10 0 CHAERO Cc1ccc(Sc2ccc(C(N)=[NH2+])cc2)c(C)c1 ZINC000019866443 170899625 /nfs/dbraw/zinc/89/96/25/170899625.db2.gz MKRIJJPTQMZXRZ-UHFFFAOYSA-N 1 0 256.374 3.739 10 0 CHAERO CCCC[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000019907004 170919375 /nfs/dbraw/zinc/91/93/75/170919375.db2.gz XWEVYPKOEBXOGQ-QGZVFWFLSA-N 1 0 255.361 3.871 10 0 CHAERO CC[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(O)cc1 ZINC000019943803 170935671 /nfs/dbraw/zinc/93/56/71/170935671.db2.gz PVPBEEPVFAQXMC-MRXNPFEDSA-N 1 0 259.324 3.772 10 0 CHAERO COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)ccc1O ZINC000019945634 170936543 /nfs/dbraw/zinc/93/65/43/170936543.db2.gz CMBKUPNPZQIIOQ-SGMGOOAPSA-N 1 0 263.381 3.630 10 0 CHAERO [NH3+][C@@H](CCC1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000019969671 170952210 /nfs/dbraw/zinc/95/22/10/170952210.db2.gz GAUOLCRYQJTEKR-HNNXBMFYSA-N 1 0 272.392 3.542 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])c2c(F)cc(F)cc2F)cc1 ZINC000019971669 170954988 /nfs/dbraw/zinc/95/49/88/170954988.db2.gz OMNBHBCWDNVPBD-OAHLLOKOSA-N 1 0 281.277 3.551 10 0 CHAERO c1ccc(CCC[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000020122757 171003255 /nfs/dbraw/zinc/00/32/55/171003255.db2.gz VIQFOVBLFKROHP-KRWDZBQOSA-N 1 0 267.372 3.733 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(O)cc1 ZINC000020123433 171004237 /nfs/dbraw/zinc/00/42/37/171004237.db2.gz BEZDBNUNZLGENL-SWLSCSKDSA-N 1 0 256.349 3.589 10 0 CHAERO COc1cc(C[NH2+][C@@H](C)c2ccccc2Cl)ccc1O ZINC000020123972 171005876 /nfs/dbraw/zinc/00/58/76/171005876.db2.gz UGXODEKSJGCKJM-NSHDSACASA-N 1 0 291.778 3.905 10 0 CHAERO CN(C)C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000020129377 171016863 /nfs/dbraw/zinc/01/68/63/171016863.db2.gz LYZGRXOZMSWMMN-OALUTQOASA-N 1 0 280.415 3.566 10 0 CHAERO C[C@@H]1C[C@@H]1c1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000020143181 171028850 /nfs/dbraw/zinc/02/88/50/171028850.db2.gz RTDOEPITLJTLPJ-DOMZBBRYSA-N 1 0 290.451 3.802 10 0 CHAERO CSc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N(C)C)cc1 ZINC000020145885 171031751 /nfs/dbraw/zinc/03/17/51/171031751.db2.gz NBCQWWKQMMWASR-CJNGLKHVSA-N 1 0 280.481 3.645 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)[C@@H]1CCCO1 ZINC000020208213 171072363 /nfs/dbraw/zinc/07/23/63/171072363.db2.gz QKNWBKHCVZPZOO-RBZYPMLTSA-N 1 0 271.763 3.697 10 0 CHAERO Cc1ccc(C(C)(C)C)c(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000020221663 171083012 /nfs/dbraw/zinc/08/30/12/171083012.db2.gz XSYGNSDTDDAVBC-CQSZACIVSA-N 1 0 261.409 3.671 10 0 CHAERO C[N@H+](CC1CCCCC1)[C@@H](CN)c1ccc(Cl)cc1 ZINC000020226034 171089638 /nfs/dbraw/zinc/08/96/38/171089638.db2.gz UTHCHGCVCOTXQR-INIZCTEOSA-N 1 0 280.843 3.852 10 0 CHAERO C[C@@H]([NH3+])c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000020246124 171099421 /nfs/dbraw/zinc/09/94/21/171099421.db2.gz SGGDBNKKSNPBRC-CYBMUJFWSA-N 1 0 278.355 3.834 10 0 CHAERO Cc1noc(C)c1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020252835 171105306 /nfs/dbraw/zinc/10/53/06/171105306.db2.gz BPZZOKYSMDJUMC-IILDEKEXSA-N 1 0 288.435 3.986 10 0 CHAERO C[C@@H]([NH3+])c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020267873 171124433 /nfs/dbraw/zinc/12/44/33/171124433.db2.gz LILMDPNASMIPBN-MRVPVSSYSA-N 1 0 255.239 3.985 10 0 CHAERO Cc1cc(C[NH2+]Cc2nc3ccccc3s2)cc(C)c1O ZINC000020307095 171142685 /nfs/dbraw/zinc/14/26/85/171142685.db2.gz OMAGKKVTHXEZBO-UHFFFAOYSA-N 1 0 298.411 3.909 10 0 CHAERO Cc1ccccc1C[C@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000020384453 171175202 /nfs/dbraw/zinc/17/52/02/171175202.db2.gz PEIFPJDSKAKCGE-SFHVURJKSA-N 1 0 251.373 3.726 10 0 CHAERO Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C[NH3+])cc1 ZINC000020390849 171179729 /nfs/dbraw/zinc/17/97/29/171179729.db2.gz YHWUMQAYWQGOFT-UHFFFAOYSA-N 1 0 297.789 3.960 10 0 CHAERO [NH3+][C@@H](Cc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000020428623 171194176 /nfs/dbraw/zinc/19/41/76/171194176.db2.gz OLVUFDMZFQBEGZ-LBPRGKRZSA-N 1 0 272.348 3.678 10 0 CHAERO Cc1cccc([C@H]([NH3+])c2ccc(OC(C)C)cc2)c1 ZINC000020434825 171200730 /nfs/dbraw/zinc/20/07/30/171200730.db2.gz BFDLPAGKVLIFHH-QGZVFWFLSA-N 1 0 255.361 3.830 10 0 CHAERO CCOc1ccccc1Oc1cccc(Cl)c1C[NH3+] ZINC000020470202 171211759 /nfs/dbraw/zinc/21/17/59/171211759.db2.gz WYTWJOUSXMBYET-UHFFFAOYSA-N 1 0 277.751 3.990 10 0 CHAERO [NH3+]Cc1c(Cl)cccc1Oc1ccc(F)cc1 ZINC000020470272 171212208 /nfs/dbraw/zinc/21/22/08/171212208.db2.gz ZCBLWGNJDSWQGQ-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO COc1ccc(F)cc1[C@@H]([NH3+])CC1CCCCC1 ZINC000020470422 171212624 /nfs/dbraw/zinc/21/26/24/171212624.db2.gz FWIWMMVRIXHVCR-AWEZNQCLSA-N 1 0 251.345 3.805 10 0 CHAERO CCCC[C@@H](CC)C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000020482076 171222325 /nfs/dbraw/zinc/22/23/25/171222325.db2.gz LLQKOLVMKKBVJP-QWHCGFSZSA-N 1 0 262.397 3.861 10 0 CHAERO CCC(C)(C)c1ccc(OC[C@H]2CCCC[NH2+]2)cc1 ZINC000020545641 171243525 /nfs/dbraw/zinc/24/35/25/171243525.db2.gz DKEKBNHYPINASG-OAHLLOKOSA-N 1 0 261.409 3.895 10 0 CHAERO COc1ccc(OC[C@H]([NH3+])C(C)(C)C)c(C(C)(C)C)c1 ZINC000020545819 171243571 /nfs/dbraw/zinc/24/35/71/171243571.db2.gz AQDFKSNNXLWVHD-HNNXBMFYSA-N 1 0 279.424 3.745 10 0 CHAERO COc1ccc([C@H]([NH3+])COc2cccc(C(C)C)c2)cc1 ZINC000020547951 171245377 /nfs/dbraw/zinc/24/53/77/171245377.db2.gz CXLGUOFLLRJFGP-GOSISDBHSA-N 1 0 285.387 3.897 10 0 CHAERO c1ccc2sc(C[NH2+]CC3CCCCC3)nc2c1 ZINC000020549398 171246389 /nfs/dbraw/zinc/24/63/89/171246389.db2.gz LDXACVJNQVRIAJ-UHFFFAOYSA-N 1 0 260.406 3.966 10 0 CHAERO Cc1cc(C)cc(OC[C@@H]([NH3+])c2ccccc2C)c1 ZINC000020553607 171249048 /nfs/dbraw/zinc/24/90/48/171249048.db2.gz RIGWIGYBQIUFPG-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)OCCC[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000020558371 171250719 /nfs/dbraw/zinc/25/07/19/171250719.db2.gz UPZYZQWNNFOSRO-XHSDSOJGSA-N 1 0 255.446 3.852 10 0 CHAERO CCCC[N@H+](CC)C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000020558732 171250971 /nfs/dbraw/zinc/25/09/71/171250971.db2.gz SLSQGROARLYBHV-CQSZACIVSA-N 1 0 288.357 3.827 10 0 CHAERO CC(C)[NH+](CCN[C@@H]1CCCc2ccccc21)C(C)C ZINC000020561749 171252469 /nfs/dbraw/zinc/25/24/69/171252469.db2.gz WRXYGQQPGZBHMD-GOSISDBHSA-N 1 0 274.452 3.772 10 0 CHAERO Cc1cc(C)cc(OC[C@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020565389 171254072 /nfs/dbraw/zinc/25/40/72/171254072.db2.gz NQMBVFZAIPSFER-SFHVURJKSA-N 1 0 269.388 3.999 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2ccc(C)c(C)c2)cc1 ZINC000020565394 171254095 /nfs/dbraw/zinc/25/40/95/171254095.db2.gz XIIJSCTUAWKQHW-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)CC(CC(C)C)[NH2+]C[C@@H](C(C)C)N(C)C ZINC000020565586 171254115 /nfs/dbraw/zinc/25/41/15/171254115.db2.gz DJYGAXRAIPMXFO-INIZCTEOSA-N 1 0 256.478 3.623 10 0 CHAERO [NH3+][C@H]1c2ccccc2C[C@@H]1Oc1cccc2ccccc21 ZINC000020567406 171255284 /nfs/dbraw/zinc/25/52/84/171255284.db2.gz PLZAAGCJIDPPHA-OALUTQOASA-N 1 0 275.351 3.843 10 0 CHAERO CCCOc1ccc(C[NH2+]CC(C)C)cc1Cl ZINC000020925532 171280220 /nfs/dbraw/zinc/28/02/20/171280220.db2.gz HBOIQROYEWJNAQ-UHFFFAOYSA-N 1 0 255.789 3.874 10 0 CHAERO CC[C@H](C)C[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000021012553 171288174 /nfs/dbraw/zinc/28/81/74/171288174.db2.gz CHXSPNUEKREPTK-RDJZCZTQSA-N 1 0 262.441 3.705 10 0 CHAERO CCc1ccc(O[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000021013939 171288879 /nfs/dbraw/zinc/28/88/79/171288879.db2.gz MKZDRTFSBOXCQD-SUMWQHHRSA-N 1 0 255.361 3.716 10 0 CHAERO CCN1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021015594 171289550 /nfs/dbraw/zinc/28/95/50/171289550.db2.gz YDNHKERSBNOVPF-YLFCFFPRSA-N 1 0 266.473 3.521 10 0 CHAERO [NH3+][C@@H]1CCCCCCCCCC[C@H]1OC[C@@H]1CCCO1 ZINC000021018658 171290281 /nfs/dbraw/zinc/29/02/81/171290281.db2.gz YFRSUQJSDVLHCV-GVDBMIGSSA-N 1 0 283.456 3.793 10 0 CHAERO CCCc1ccc([C@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021027329 171291168 /nfs/dbraw/zinc/29/11/68/171291168.db2.gz BAKFSGPULGKDPP-RVKKMQEKSA-N 1 0 274.452 3.902 10 0 CHAERO CC(C)Cc1ccc([C@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021039982 171293306 /nfs/dbraw/zinc/29/33/06/171293306.db2.gz UXHUXTYNWAXOAI-JTDSTZFVSA-N 1 0 288.479 3.863 10 0 CHAERO CCCc1ccc([C@@H](N)C[NH+]2CCCCCC2)cc1 ZINC000021057483 171295976 /nfs/dbraw/zinc/29/59/76/171295976.db2.gz MFIZFHVBKFCORA-KRWDZBQOSA-N 1 0 260.425 3.515 10 0 CHAERO CCN(C[C@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000021058020 171296271 /nfs/dbraw/zinc/29/62/71/171296271.db2.gz JRCCRCGTXDGGMO-KRWDZBQOSA-N 1 0 254.377 3.521 10 0 CHAERO CCOCCO[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021060078 171296651 /nfs/dbraw/zinc/29/66/51/171296651.db2.gz ZSRUVLPJECZKJF-CVEARBPZSA-N 1 0 271.445 3.650 10 0 CHAERO CCOCCO[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021060073 171296818 /nfs/dbraw/zinc/29/68/18/171296818.db2.gz ZSRUVLPJECZKJF-HZPDHXFCSA-N 1 0 271.445 3.650 10 0 CHAERO CCCc1ccc([C@@H]([NH3+])COc2ccc(F)cc2)cc1 ZINC000021504434 171307173 /nfs/dbraw/zinc/30/71/73/171307173.db2.gz UGSPRYQHVJYYFQ-KRWDZBQOSA-N 1 0 273.351 3.857 10 0 CHAERO [NH3+][C@@H]1c2ccccc2C[C@H]1Oc1ccc2ccccc2c1 ZINC000021504339 171307303 /nfs/dbraw/zinc/30/73/03/171307303.db2.gz MYOGJYIDFZJMAS-RTBURBONSA-N 1 0 275.351 3.843 10 0 CHAERO COc1cccc(OC[C@@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000021507156 171308397 /nfs/dbraw/zinc/30/83/97/171308397.db2.gz VTVGOEFKPQOKCF-QGZVFWFLSA-N 1 0 285.387 3.699 10 0 CHAERO CCOc1cc2c(cc1C[NH2+]CCC(C)C)O[C@H](C)C2 ZINC000021507960 171308634 /nfs/dbraw/zinc/30/86/34/171308634.db2.gz RYHHWTAAIYIYTK-CYBMUJFWSA-N 1 0 277.408 3.544 10 0 CHAERO CCc1ccc(OC[C@@H]([NH3+])c2ccc(CC)cc2)cc1 ZINC000021517446 171313657 /nfs/dbraw/zinc/31/36/57/171313657.db2.gz HBEHWBUJFCDTKP-GOSISDBHSA-N 1 0 269.388 3.890 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](N)C23CC4CC(CC(C4)C2)C3)C1 ZINC000021789945 171323488 /nfs/dbraw/zinc/32/34/88/171323488.db2.gz DCKJSZFBAUSGMP-KVFOQLRZSA-N 1 0 290.495 3.508 10 0 CHAERO CC(C)[C@H](CNCc1ccc(Cl)cc1Cl)[NH+](C)C ZINC000021793842 171324626 /nfs/dbraw/zinc/32/46/26/171324626.db2.gz WJKOOXVWBISNRU-AWEZNQCLSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@@H](CNCc1ccc(Cl)cc1Cl)[NH+](C)C ZINC000021793838 171324831 /nfs/dbraw/zinc/32/48/31/171324831.db2.gz WJKOOXVWBISNRU-CQSZACIVSA-N 1 0 289.250 3.669 10 0 CHAERO CCc1ccc(OC[C@@H]([NH3+])c2ccc(C)c(C)c2)cc1 ZINC000021798282 171325223 /nfs/dbraw/zinc/32/52/23/171325223.db2.gz RJGOSGAGUBCEGW-GOSISDBHSA-N 1 0 269.388 3.945 10 0 CHAERO CCc1ccc(OC[C@H]([NH3+])c2ccc(C)c(C)c2)cc1 ZINC000021798285 171325307 /nfs/dbraw/zinc/32/53/07/171325307.db2.gz RJGOSGAGUBCEGW-SFHVURJKSA-N 1 0 269.388 3.945 10 0 CHAERO CCOc1ccc(OC[C@H]([NH3+])c2ccc(CC)cc2)cc1 ZINC000021799970 171325861 /nfs/dbraw/zinc/32/58/61/171325861.db2.gz REHYMRRNUGAYAG-SFHVURJKSA-N 1 0 285.387 3.727 10 0 CHAERO Fc1ccc(C[NH2+]CCc2ccccc2F)c(Cl)c1 ZINC000021801750 171326307 /nfs/dbraw/zinc/32/63/07/171326307.db2.gz VNASPYGYUMEQOV-UHFFFAOYSA-N 1 0 281.733 3.951 10 0 CHAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1cccc(C)c1 ZINC000021813871 171330909 /nfs/dbraw/zinc/33/09/09/171330909.db2.gz QNSAVNJUBXASOU-GOSISDBHSA-N 1 0 268.404 3.830 10 0 CHAERO Cc1ccc([C@H]([NH3+])COC2CCC(C)CC2)cc1C ZINC000021814664 171331616 /nfs/dbraw/zinc/33/16/16/171331616.db2.gz IPZCWLPYXKJJDQ-UAIPMZCESA-N 1 0 261.409 3.899 10 0 CHAERO CCC[NH+](CCC)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1N ZINC000021814648 171331773 /nfs/dbraw/zinc/33/17/73/171331773.db2.gz MZCIELJBAXKSPV-BZSNNMDCSA-N 1 0 274.452 3.772 10 0 CHAERO COc1cc(C)ccc1O[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021814421 171331799 /nfs/dbraw/zinc/33/17/99/171331799.db2.gz USNXXONUTPATSY-YCPHGPKFSA-N 1 0 291.435 3.925 10 0 CHAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000022015220 171349671 /nfs/dbraw/zinc/34/96/71/171349671.db2.gz DRQZNYLBSJTDDD-ZDUSSCGKSA-N 1 0 276.380 3.848 10 0 CHAERO CCCC[N@H+](CC)[C@@H](CN)c1c(C)cc(C)cc1C ZINC000022150058 171358294 /nfs/dbraw/zinc/35/82/94/171358294.db2.gz NPRYEGVBSAOVDD-INIZCTEOSA-N 1 0 262.441 3.734 10 0 CHAERO CC[C@H]([NH3+])c1ccccc1OCc1cccc(F)c1 ZINC000022209357 171372978 /nfs/dbraw/zinc/37/29/78/171372978.db2.gz XRIUSUSZRROGCK-HNNXBMFYSA-N 1 0 259.324 3.815 10 0 CHAERO COc1cc([C@@H](C)[NH3+])ccc1OCc1ccc(C)cc1 ZINC000022209869 171373061 /nfs/dbraw/zinc/37/30/61/171373061.db2.gz SZFUMEJCUJNTPG-CYBMUJFWSA-N 1 0 271.360 3.602 10 0 CHAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022210857 171373562 /nfs/dbraw/zinc/37/35/62/171373562.db2.gz UQRWOZSQDSPVDY-RISCZKNCSA-N 1 0 286.341 3.580 10 0 CHAERO CCOc1ccc([C@@H](C[NH3+])c2c(C)[nH]c3ccccc32)cc1 ZINC000026512771 171490820 /nfs/dbraw/zinc/49/08/20/171490820.db2.gz MJELIQXCGWCWOL-QGZVFWFLSA-N 1 0 294.398 3.966 10 0 CHAERO CC[NH2+]CCOc1ccc(Br)cc1C(C)C ZINC000032055369 171694568 /nfs/dbraw/zinc/69/45/68/171694568.db2.gz VTTWBUKJQKJHIR-UHFFFAOYSA-N 1 0 286.213 3.561 10 0 CHAERO C/C=C\c1ccc(OCC[NH2+]C2CCCC2)c(OC)c1 ZINC000033467271 171804942 /nfs/dbraw/zinc/80/49/42/171804942.db2.gz YEXPPGDEJSDQLE-UTCJRWHESA-N 1 0 275.392 3.639 10 0 CHAERO O[C@@H](CC[NH+]1CCC2(CCCC2)CC1)c1ccc(F)cc1 ZINC000033995698 171828706 /nfs/dbraw/zinc/82/87/06/171828706.db2.gz QEIBDLHHITVLTH-KRWDZBQOSA-N 1 0 291.410 3.905 10 0 CHAERO CCCN(CCC)c1cccc(Cl)c1C[NH2+]C ZINC000034823524 171876709 /nfs/dbraw/zinc/87/67/09/171876709.db2.gz YATQMYYCEOUXTK-UHFFFAOYSA-N 1 0 254.805 3.686 10 0 CHAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1N(C)CCC ZINC000034841448 171885373 /nfs/dbraw/zinc/88/53/73/171885373.db2.gz LXPJNDHCKMYDRY-LBPRGKRZSA-N 1 0 252.377 3.733 10 0 CHAERO Cc1ccc(C(=O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000035037579 171943889 /nfs/dbraw/zinc/94/38/89/171943889.db2.gz QFJUQECFVYMIGO-NVXWUHKLSA-N 1 0 271.404 3.690 10 0 CHAERO C[NH2+][C@H](C)c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000035199181 172044640 /nfs/dbraw/zinc/04/46/40/172044640.db2.gz MJOZLXPGJGJHQP-GFCCVEGCSA-N 1 0 269.348 3.611 10 0 CHAERO C[C@@H](NC1=[NH+]C[C@H](C)S1)C12CC3CC(CC(C3)C1)C2 ZINC000035294345 172106177 /nfs/dbraw/zinc/10/61/77/172106177.db2.gz IQLZPKMURIDLPX-NUOQBOJZSA-N 1 0 278.465 3.672 10 0 CHAERO [NH3+][C@H](c1cc2c(s1)CCC2)c1c(F)cc(F)cc1F ZINC000035381143 172163476 /nfs/dbraw/zinc/16/34/76/172163476.db2.gz RUBQTNFPIZJWID-CQSZACIVSA-N 1 0 283.318 3.702 10 0 CHAERO Cc1cc([C@@H]([NH3+])c2cc3c(s2)CCC3)c(C)s1 ZINC000035381405 172163701 /nfs/dbraw/zinc/16/37/01/172163701.db2.gz UWPVBBPHQJUORW-CQSZACIVSA-N 1 0 263.431 3.963 10 0 CHAERO CC[NH2+]Cc1cccc(OC)c1OCc1cccc(C)c1 ZINC000035413719 172187011 /nfs/dbraw/zinc/18/70/11/172187011.db2.gz PCFSTJCMZPFVAK-UHFFFAOYSA-N 1 0 285.387 3.692 10 0 CHAERO C[C@H]([NH3+])c1ccc2ccccc2c1OCC(F)(F)F ZINC000035427328 172194892 /nfs/dbraw/zinc/19/48/92/172194892.db2.gz RYHDJZSUMOOUFJ-VIFPVBQESA-N 1 0 269.266 3.801 10 0 CHAERO C[NH2+]Cc1c(Oc2cccc(Cl)c2)nc2sccn21 ZINC000035430687 172199177 /nfs/dbraw/zinc/19/91/77/172199177.db2.gz LSBPBWFLZHQBDF-UHFFFAOYSA-N 1 0 293.779 3.561 10 0 CHAERO CC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC)c(Br)c1 ZINC000035455465 172206596 /nfs/dbraw/zinc/20/65/96/172206596.db2.gz YKMBIZJRBOEPOL-NOZJJQNGSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@@H](c1cc(Br)ccc1OC)C(C)(C)C ZINC000035456160 172206803 /nfs/dbraw/zinc/20/68/03/172206803.db2.gz GULPTUSKGXFWJX-LBPRGKRZSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC(F)F)cc1 ZINC000035458773 172207339 /nfs/dbraw/zinc/20/73/39/172207339.db2.gz IFIDPBYXCZTWDW-CYBMUJFWSA-N 1 0 283.343 3.967 10 0 CHAERO C[NH2+][C@H](c1ccsc1)c1ccc2c(c1)CCCC2 ZINC000035459955 172209328 /nfs/dbraw/zinc/20/93/28/172209328.db2.gz WBVUKSVQUDQBDI-INIZCTEOSA-N 1 0 257.402 3.936 10 0 CHAERO C[NH2+][C@@H](c1cc2c(s1)CCC2)c1ccc(F)cc1 ZINC000035463535 172211537 /nfs/dbraw/zinc/21/15/37/172211537.db2.gz DSSQWDKSPZFPAB-OAHLLOKOSA-N 1 0 261.365 3.685 10 0 CHAERO C[NH2+][C@H](c1ccccc1)c1cc(F)cc(Br)c1 ZINC000035464880 172212105 /nfs/dbraw/zinc/21/21/05/172212105.db2.gz PEUYKGQCKPGYDA-CQSZACIVSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](c1cc(C)ccc1C)c1c(F)cccc1F ZINC000035489807 172224423 /nfs/dbraw/zinc/22/44/23/172224423.db2.gz LVZSBFMITVVINL-INIZCTEOSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@@H](c1cc(C)cc(C)c1)c1ccc(F)cc1F ZINC000035491924 172226692 /nfs/dbraw/zinc/22/66/92/172226692.db2.gz VFOGJHKMPUNWKC-INIZCTEOSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(F)c(F)c1 ZINC000035497610 172231574 /nfs/dbraw/zinc/23/15/74/172231574.db2.gz NJFVXVCZVSMWII-CQSZACIVSA-N 1 0 267.344 3.952 10 0 CHAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc(OC(C)C)cc1 ZINC000035498905 172231905 /nfs/dbraw/zinc/23/19/05/172231905.db2.gz HKQLUOLPRRAJEV-LBPRGKRZSA-N 1 0 261.287 3.687 10 0 CHAERO C[NH2+][C@H](CC(C)(C)C)c1cnn(-c2ccccc2)c1 ZINC000035500518 172234239 /nfs/dbraw/zinc/23/42/39/172234239.db2.gz JRWBBROTILVWJO-OAHLLOKOSA-N 1 0 257.381 3.569 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc(OC)c(C)c1 ZINC000035506058 172239400 /nfs/dbraw/zinc/23/94/00/172239400.db2.gz SKYFZJWYXCGEOE-CQSZACIVSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC)c(F)c1 ZINC000035507453 172239878 /nfs/dbraw/zinc/23/98/78/172239878.db2.gz TWWBTKBSLXLEEX-CQSZACIVSA-N 1 0 265.353 3.513 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)s1)[C@@H]1Cc2ccccc2O1 ZINC000035510150 172241608 /nfs/dbraw/zinc/24/16/08/172241608.db2.gz UPCOVEABNRJNCJ-HOCLYGCPSA-N 1 0 273.401 3.711 10 0 CHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(OC)c(Cl)c1 ZINC000035538305 172244719 /nfs/dbraw/zinc/24/47/19/172244719.db2.gz GEBUTWVFRFHHTB-OAHLLOKOSA-N 1 0 279.767 3.949 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccccc1OC ZINC000035541110 172247572 /nfs/dbraw/zinc/24/75/72/172247572.db2.gz FLWVNPPRSLLPOG-KRWDZBQOSA-N 1 0 255.361 3.703 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)cc1)c1cc(F)cc(F)c1 ZINC000035541065 172247781 /nfs/dbraw/zinc/24/77/81/172247781.db2.gz PUUOLVSPJUCDOS-MRXNPFEDSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1ccc(OC)cc1C ZINC000035542960 172250813 /nfs/dbraw/zinc/25/08/13/172250813.db2.gz UDEJHEIHCHQLLF-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO CCCC[C@@H]([NH2+]CC)c1ccc(OC)cc1OC ZINC000035545999 172254607 /nfs/dbraw/zinc/25/46/07/172254607.db2.gz JLWKJEVOJAJSDB-CQSZACIVSA-N 1 0 251.370 3.545 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)cc1OC)C1CCCC1 ZINC000035546132 172254609 /nfs/dbraw/zinc/25/46/09/172254609.db2.gz NXGDPBKOMAMQRR-MRXNPFEDSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)c1ccccc1C ZINC000035549110 172256682 /nfs/dbraw/zinc/25/66/82/172256682.db2.gz NUKWUZADVVQOON-MRXNPFEDSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc2c(c1)CCC2 ZINC000035551236 172258323 /nfs/dbraw/zinc/25/83/23/172258323.db2.gz INCNWZVXIUPHGU-QGZVFWFLSA-N 1 0 255.361 3.776 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc2c(c1)CCC2 ZINC000035551171 172258568 /nfs/dbraw/zinc/25/85/68/172258568.db2.gz ACZGTLLPQDANNR-QGZVFWFLSA-N 1 0 255.361 3.776 10 0 CHAERO CCC[C@H](C)[C@H]([NH2+]CC)c1cc(F)ccc1OC ZINC000035554467 172261231 /nfs/dbraw/zinc/26/12/31/172261231.db2.gz VYUHSCQZRNWZEC-NHYWBVRUSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1cnn(C)c1 ZINC000035555611 172261602 /nfs/dbraw/zinc/26/16/02/172261602.db2.gz IHPFDTVOYVQGMS-OCCSQVGLSA-N 1 0 251.418 3.533 10 0 CHAERO CCC[C@H]([NH2+]CC)c1cc(OC)c(OC)cc1Cl ZINC000035557531 172262611 /nfs/dbraw/zinc/26/26/11/172262611.db2.gz PQWBUHUARNJNMX-LBPRGKRZSA-N 1 0 271.788 3.808 10 0 CHAERO CC[NH2+][C@@H](c1cc(OC)c(OC)cc1Cl)C(C)C ZINC000035557526 172262699 /nfs/dbraw/zinc/26/26/99/172262699.db2.gz ZFKBWMYVVMTABX-CQSZACIVSA-N 1 0 271.788 3.664 10 0 CHAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000035570442 172266109 /nfs/dbraw/zinc/26/61/09/172266109.db2.gz QKOVHPBYHDLSMD-GFCCVEGCSA-N 1 0 284.190 3.610 10 0 CHAERO CC[NH2+][C@@H](CC)c1cc(Br)ccc1OCC ZINC000035571161 172267327 /nfs/dbraw/zinc/26/73/27/172267327.db2.gz ZVGNJTZZPQPUIJ-LBPRGKRZSA-N 1 0 286.213 3.908 10 0 CHAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc(OC)c(F)c1 ZINC000035572179 172267891 /nfs/dbraw/zinc/26/78/91/172267891.db2.gz GZZGNMAVBROMKC-XHDPSFHLSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@H](c1ccc(CC)s1)[C@@H]1CCCO1 ZINC000035573635 172270553 /nfs/dbraw/zinc/27/05/53/172270553.db2.gz WHWXYYYPAQGBIT-JSGCOSHPSA-N 1 0 253.411 3.530 10 0 CHAERO CCC[NH2+][C@H](c1ccsc1)c1ccc2c(c1)CCO2 ZINC000035579059 172275287 /nfs/dbraw/zinc/27/52/87/172275287.db2.gz LLKIPIZABPHRJX-INIZCTEOSA-N 1 0 273.401 3.772 10 0 CHAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000035582509 172280056 /nfs/dbraw/zinc/28/00/56/172280056.db2.gz ADXZVAMOMPPZRI-NSHDSACASA-N 1 0 267.241 3.958 10 0 CHAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@H](C)CC ZINC000035598527 172288054 /nfs/dbraw/zinc/28/80/54/172288054.db2.gz BDFAUWAHYLJZPM-ABAIWWIYSA-N 1 0 253.361 3.921 10 0 CHAERO C[NH2+]Cc1c(OCCC(C)C)ccc2ccccc21 ZINC000035630625 172312152 /nfs/dbraw/zinc/31/21/52/172312152.db2.gz YMADTDACHIALMN-UHFFFAOYSA-N 1 0 257.377 3.984 10 0 CHAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)CCC(C)C)c1 ZINC000035635398 172320595 /nfs/dbraw/zinc/32/05/95/172320595.db2.gz GFMJKJISZHXHIM-ZDUSSCGKSA-N 1 0 262.397 3.732 10 0 CHAERO CCC(C)(C)c1ccc2c(c1)[C@H]([NH2+]C1CC1)CCO2 ZINC000035653560 172330683 /nfs/dbraw/zinc/33/06/83/172330683.db2.gz OQUSECLDBUDXRM-OAHLLOKOSA-N 1 0 259.393 3.950 10 0 CHAERO CC[NH2+][C@@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654230 172330770 /nfs/dbraw/zinc/33/07/70/172330770.db2.gz YTGPFAGXIJINIJ-SNVBAGLBSA-N 1 0 260.164 3.817 10 0 CHAERO C[NH2+][C@@H]1COc2c1cc(C(C)(C)C)cc2C(C)(C)C ZINC000035654750 172331915 /nfs/dbraw/zinc/33/19/15/172331915.db2.gz ZMXLCUSOESDSSL-CQSZACIVSA-N 1 0 261.409 3.935 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1ccc(F)cc1F ZINC000035722033 172377462 /nfs/dbraw/zinc/37/74/62/172377462.db2.gz VROIHSOWZZKCGL-ZWNOBZJWSA-N 1 0 271.376 3.965 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1ccccc1Cl ZINC000035723438 172378889 /nfs/dbraw/zinc/37/88/89/172378889.db2.gz MHDATJJXPAZZMQ-CMPLNLGQSA-N 1 0 255.814 3.950 10 0 CHAERO COc1ccc(S[C@@H]2CCCCC[C@H]2C[NH3+])cc1 ZINC000035723796 172378935 /nfs/dbraw/zinc/37/89/35/172378935.db2.gz QEMLLUZSDRNPIX-SWLSCSKDSA-N 1 0 265.422 3.695 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1ccc(F)cc1 ZINC000035723594 172378993 /nfs/dbraw/zinc/37/89/93/172378993.db2.gz JFOQOXNPDIHIDC-RISCZKNCSA-N 1 0 253.386 3.825 10 0 CHAERO Cc1cc(Cl)c(C(C)C)cc1OC[C@@H](C)C[NH3+] ZINC000035725973 172380494 /nfs/dbraw/zinc/38/04/94/172380494.db2.gz PCHSWJDVFQCJJU-JTQLQIEISA-N 1 0 255.789 3.745 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+]C(C)C)C[C@@H](C)S2 ZINC000035760792 172399443 /nfs/dbraw/zinc/39/94/43/172399443.db2.gz XDYAUHDRGRJVHE-MFKMUULPSA-N 1 0 251.395 3.619 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+]C(C)C)CCCS2 ZINC000035760700 172399554 /nfs/dbraw/zinc/39/95/54/172399554.db2.gz OFXLGQBJSSELTD-ZDUSSCGKSA-N 1 0 251.395 3.620 10 0 CHAERO C[C@H]1C[C@@H]([NH2+]C2CC2)c2cc3c(cc2S1)CCC3 ZINC000035761121 172399714 /nfs/dbraw/zinc/39/97/14/172399714.db2.gz OPIMRAVTYWZHSI-ZUZCIYMTSA-N 1 0 259.418 3.853 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+]C(C)C)C[C@H](C)S2 ZINC000035760799 172399761 /nfs/dbraw/zinc/39/97/61/172399761.db2.gz XDYAUHDRGRJVHE-GXFFZTMASA-N 1 0 251.395 3.619 10 0 CHAERO CC(C)(C)[C@H]([NH3+])CCc1cc(Br)ccc1F ZINC000036683925 172654502 /nfs/dbraw/zinc/65/45/02/172654502.db2.gz GGHSDVMSEOCIPZ-GFCCVEGCSA-N 1 0 288.204 3.894 10 0 CHAERO Cc1c(Cl)cccc1-n1c(N)[nH+]c2cc(F)ccc21 ZINC000036899595 172789364 /nfs/dbraw/zinc/78/93/64/172789364.db2.gz HGHYBHWUWHCHML-UHFFFAOYSA-N 1 0 275.714 3.709 10 0 CHAERO Cc1ccc(O[C@H](C[NH3+])C(F)(F)F)c(C(C)(C)C)c1 ZINC000037169914 173004430 /nfs/dbraw/zinc/00/44/30/173004430.db2.gz HUNIOEBRAYIUPA-GFCCVEGCSA-N 1 0 275.314 3.561 10 0 CHAERO CC[C@H](C)c1ccccc1O[C@@H](CC[NH3+])C(F)(F)F ZINC000037179256 173013168 /nfs/dbraw/zinc/01/31/68/173013168.db2.gz FODKJZIXYQRHHE-GWCFXTLKSA-N 1 0 275.314 3.859 10 0 CHAERO Cc1ccc2sc([C@@H]([NH3+])Cc3ccccc3)nc2c1 ZINC000037204482 173026794 /nfs/dbraw/zinc/02/67/94/173026794.db2.gz BQLYSQKBWUBWDO-ZDUSSCGKSA-N 1 0 268.385 3.847 10 0 CHAERO CC[NH+]1CCC([C@@H](C)Nc2ccc(Cl)cc2)CC1 ZINC000037209870 173031891 /nfs/dbraw/zinc/03/18/91/173031891.db2.gz KMYRCYYCSVKQBR-GFCCVEGCSA-N 1 0 266.816 3.872 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+][C@@H]3CCCC[C@@H]3C)n12 ZINC000037211385 173032925 /nfs/dbraw/zinc/03/29/25/173032925.db2.gz PLFFATMGRKAKMY-GXFFZTMASA-N 1 0 277.437 3.681 10 0 CHAERO Cc1ccccc1C[C@H]([NH3+])c1nc2ccccc2s1 ZINC000037239262 173055800 /nfs/dbraw/zinc/05/58/00/173055800.db2.gz WKTYOHMZRCSAMZ-ZDUSSCGKSA-N 1 0 268.385 3.847 10 0 CHAERO C=COCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037239249 173056305 /nfs/dbraw/zinc/05/63/05/173056305.db2.gz RDICCQRSNABTSV-IAGOWNOFSA-N 1 0 259.393 3.853 10 0 CHAERO CCN(CC)c1ncc(C[NH2+]CC2CCCCC2)s1 ZINC000037255168 173066142 /nfs/dbraw/zinc/06/61/42/173066142.db2.gz UTVMGKDZUOCUFO-UHFFFAOYSA-N 1 0 281.469 3.659 10 0 CHAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)c1ccco1 ZINC000037260480 173070841 /nfs/dbraw/zinc/07/08/41/173070841.db2.gz HGTRWRADPVVZCX-RYUDHWBXSA-N 1 0 257.333 3.626 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)cc1)c1cccc(OC(F)F)c1 ZINC000037308781 173112030 /nfs/dbraw/zinc/11/20/30/173112030.db2.gz KYQFZIUJXKGZHE-CYBMUJFWSA-N 1 0 283.705 3.990 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000037321602 173121612 /nfs/dbraw/zinc/12/16/12/173121612.db2.gz LAUBXVYCDGMSQU-DOTOQJQBSA-N 1 0 262.441 3.622 10 0 CHAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(C)s1 ZINC000037328324 173128425 /nfs/dbraw/zinc/12/84/25/173128425.db2.gz HSPRYMQONBUVPL-HNNXBMFYSA-N 1 0 274.433 3.578 10 0 CHAERO Cc1ccc(CN(C)[C@H](C[NH3+])c2ccc(Cl)s2)cc1 ZINC000037328339 173128660 /nfs/dbraw/zinc/12/86/60/173128660.db2.gz CCGLGPDSIPCWLB-CYBMUJFWSA-N 1 0 294.851 3.842 10 0 CHAERO CCC[N@H+](CC(=O)c1c(C)cc(C)cc1C)C(C)C ZINC000037335215 173136961 /nfs/dbraw/zinc/13/69/61/173136961.db2.gz YVQVQNHVPMAYEI-UHFFFAOYSA-N 1 0 261.409 3.915 10 0 CHAERO CC[C@@H](C)[N@H+](CC)CC(=O)c1c(C)cc(C)cc1C ZINC000037336712 173137408 /nfs/dbraw/zinc/13/74/08/173137408.db2.gz ZJFCFYAXOGKZDU-OAHLLOKOSA-N 1 0 261.409 3.915 10 0 CHAERO CCN(C(C)C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424863 173199090 /nfs/dbraw/zinc/19/90/90/173199090.db2.gz NFBMIRWYJNWNHA-ZDUSSCGKSA-N 1 0 275.223 3.724 10 0 CHAERO Cc1ccc2c(c1)nc(CCCCC[NH3+])n2C(C)C ZINC000037438437 173208520 /nfs/dbraw/zinc/20/85/20/173208520.db2.gz KICIZYSXJHVUGP-UHFFFAOYSA-N 1 0 259.397 3.597 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@H]([NH3+])[C@@H](C)CC ZINC000037438355 173208551 /nfs/dbraw/zinc/20/85/51/173208551.db2.gz RMSLVSSUFUKPNH-SWLSCSKDSA-N 1 0 259.397 3.801 10 0 CHAERO CCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])CC(C)C ZINC000037440344 173210064 /nfs/dbraw/zinc/21/00/64/173210064.db2.gz VYGTXPPJDBQVGY-LLVKDONJSA-N 1 0 265.788 3.756 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])CCSC ZINC000037440553 173210584 /nfs/dbraw/zinc/21/05/84/173210584.db2.gz WHZSKAUQEAYTFT-NSHDSACASA-N 1 0 297.855 3.853 10 0 CHAERO CCC[C@H]([NH3+])c1nc2cc(Br)ccc2n1CC ZINC000037441487 173210853 /nfs/dbraw/zinc/21/08/53/173210853.db2.gz LCXZBSFLJGADON-JTQLQIEISA-N 1 0 296.212 3.619 10 0 CHAERO CC(C)n1c(CCCCC[NH3+])nc2cccc(Cl)c21 ZINC000037444223 173211816 /nfs/dbraw/zinc/21/18/16/173211816.db2.gz UPBKHGRZRNSYPW-UHFFFAOYSA-N 1 0 279.815 3.942 10 0 CHAERO Clc1cccc2nc([C@@H]3CCCC[NH2+]3)n(C3CC3)c21 ZINC000037444435 173212479 /nfs/dbraw/zinc/21/24/79/173212479.db2.gz TYFGLCXLQRXNCU-ZDUSSCGKSA-N 1 0 275.783 3.839 10 0 CHAERO [NH3+][C@H](Cc1ccccc1Br)C1CCCCC1 ZINC000037466943 173226578 /nfs/dbraw/zinc/22/65/78/173226578.db2.gz ZWPDYGLPHSOQDD-CQSZACIVSA-N 1 0 282.225 3.899 10 0 CHAERO C[C@]([NH3+])(Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000037531215 173253308 /nfs/dbraw/zinc/25/33/08/173253308.db2.gz QJABNEHYHWAYPO-HNNXBMFYSA-N 1 0 263.743 3.896 10 0 CHAERO CCOc1cccc([C@H]([NH2+]C)c2ccc(C)cc2)c1 ZINC000037533378 173253799 /nfs/dbraw/zinc/25/37/99/173253799.db2.gz CLCUROHVZNIBPF-QGZVFWFLSA-N 1 0 255.361 3.703 10 0 CHAERO [NH3+][C@@H](CCOc1ccccc1)Cc1cccc(Cl)c1 ZINC000037533060 173254084 /nfs/dbraw/zinc/25/40/84/173254084.db2.gz QGDDLLHNJWPYRD-HNNXBMFYSA-N 1 0 275.779 3.679 10 0 CHAERO C[NH2+][C@H](Cc1cccc(Cl)c1)Cc1ccccc1F ZINC000037534186 173254352 /nfs/dbraw/zinc/25/43/52/173254352.db2.gz ZHVGESISSNDMEZ-OAHLLOKOSA-N 1 0 277.770 3.852 10 0 CHAERO CC(C)[NH2+]CCc1nc2cc(C(C)(C)C)ccc2o1 ZINC000037606484 173554606 /nfs/dbraw/zinc/55/46/06/173554606.db2.gz ZKVVTTZAVJACPG-UHFFFAOYSA-N 1 0 260.381 3.666 10 0 CHAERO CCCCOc1ccc2ccccc2c1C[C@H](C)[NH3+] ZINC000037727445 173646243 /nfs/dbraw/zinc/64/62/43/173646243.db2.gz RKLOKINEJABHHZ-ZDUSSCGKSA-N 1 0 257.377 3.908 10 0 CHAERO CCSc1ccccc1N[C@@H](C)C1CC[NH+](C)CC1 ZINC000037779390 173710517 /nfs/dbraw/zinc/71/05/17/173710517.db2.gz DGPIBFFGDHLFGK-ZDUSSCGKSA-N 1 0 278.465 3.941 10 0 CHAERO C[C@@H]([NH2+]CCSc1ccccc1)c1ccc(O)cc1 ZINC000037904014 173835004 /nfs/dbraw/zinc/83/50/04/173835004.db2.gz OQLBWKHLEFSUHA-CYBMUJFWSA-N 1 0 273.401 3.835 10 0 CHAERO CC[C@@H](Cc1cc(F)ccc1Br)[C@H](C)[NH3+] ZINC000038004306 173965787 /nfs/dbraw/zinc/96/57/87/173965787.db2.gz HRDJALQKOYXZGB-IUCAKERBSA-N 1 0 274.177 3.504 10 0 CHAERO CCC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1 ZINC000038028174 174015955 /nfs/dbraw/zinc/01/59/55/174015955.db2.gz FQZLXLGZBFHYGO-FUHWJXTLSA-N 1 0 274.452 3.992 10 0 CHAERO CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1OC ZINC000038028977 174018681 /nfs/dbraw/zinc/01/86/81/174018681.db2.gz ZEOCCVYTOXEEPD-DOTOQJQBSA-N 1 0 290.451 3.610 10 0 CHAERO Cc1nccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)n1 ZINC000038037806 174038693 /nfs/dbraw/zinc/03/86/93/174038693.db2.gz MHMWDILWAMZQDA-MRXNPFEDSA-N 1 0 287.432 3.868 10 0 CHAERO CCn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000038046639 174055161 /nfs/dbraw/zinc/05/51/61/174055161.db2.gz PQRRMNOFPIBLNM-ILXRZTDVSA-N 1 0 285.435 3.971 10 0 CHAERO CCn1c(C[NH2+][C@H](C)c2cccs2)nc2ccccc21 ZINC000038046681 174055233 /nfs/dbraw/zinc/05/52/33/174055233.db2.gz UUEQWAQRLKSWSA-GFCCVEGCSA-N 1 0 285.416 3.969 10 0 CHAERO Clc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038052041 174063503 /nfs/dbraw/zinc/06/35/03/174063503.db2.gz IKMMCWWZEJVTLH-ZDUSSCGKSA-N 1 0 274.191 3.652 10 0 CHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)C1CCCC1 ZINC000038058118 174068558 /nfs/dbraw/zinc/06/85/58/174068558.db2.gz AIJCIUPMIXSVRI-QGZVFWFLSA-N 1 0 259.393 3.852 10 0 CHAERO CCOC(=O)CCC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000038064111 174075480 /nfs/dbraw/zinc/07/54/80/174075480.db2.gz XLKAKNJRAIVBPZ-OAHLLOKOSA-N 1 0 263.381 3.543 10 0 CHAERO C[NH2+][C@@H](C)c1ccccc1-c1ccc(N(C)C)cc1 ZINC000038070090 174081223 /nfs/dbraw/zinc/08/12/23/174081223.db2.gz JCDYJSFHYLQDTF-ZDUSSCGKSA-N 1 0 254.377 3.700 10 0 CHAERO CC[NH2+]Cc1ccc(F)c(-c2ccccc2OC)c1 ZINC000038070470 174081585 /nfs/dbraw/zinc/08/15/85/174081585.db2.gz NYBSWRCFZAEJGF-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO COc1ccc(-c2cccc(C[NH2+]C(C)C)c2)cc1 ZINC000038070952 174081829 /nfs/dbraw/zinc/08/18/29/174081829.db2.gz GPQDDUGXPVOOIW-UHFFFAOYSA-N 1 0 255.361 3.860 10 0 CHAERO C[NH2+]Cc1cc(-c2ccc(F)cc2C)ccc1OC ZINC000038071227 174082315 /nfs/dbraw/zinc/08/23/15/174082315.db2.gz XHBGPDNMDBGLJH-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2cnn(-c3ccccc3)c2)cc1 ZINC000038073222 174083304 /nfs/dbraw/zinc/08/33/04/174083304.db2.gz YRIORUZNVYVNMF-AWEZNQCLSA-N 1 0 277.371 3.820 10 0 CHAERO CC[C@@H]([NH3+])c1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000038072949 174083351 /nfs/dbraw/zinc/08/33/51/174083351.db2.gz IHZWXNDODJUTID-MRXNPFEDSA-N 1 0 253.345 3.698 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(OC)c(C)c1 ZINC000038073636 174083851 /nfs/dbraw/zinc/08/38/51/174083851.db2.gz ULOCUSHCIWRZQW-CYBMUJFWSA-N 1 0 255.361 3.951 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc(OC)cc2F)cc1 ZINC000038073757 174084195 /nfs/dbraw/zinc/08/41/95/174084195.db2.gz NEWWXSACQQRDSB-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO Cc1cc(C)cc(COc2cccc([C@@H](C)[NH3+])c2)c1 ZINC000038076661 174087589 /nfs/dbraw/zinc/08/75/89/174087589.db2.gz HYPTYSBFDLHVQE-CQSZACIVSA-N 1 0 255.361 3.902 10 0 CHAERO C[C@@H](C[NH2+]Cc1sc2ccccc2c1Cl)N(C)C ZINC000038087325 174098688 /nfs/dbraw/zinc/09/86/88/174098688.db2.gz UAWCOQWYNXYKHQ-JTQLQIEISA-N 1 0 282.840 3.594 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000038092400 174106459 /nfs/dbraw/zinc/10/64/59/174106459.db2.gz GMHROHVFBOUILV-DFBGVHRSSA-N 1 0 267.800 3.684 10 0 CHAERO COc1ccc([C@@H](C)[NH2+]CCCC(C)C)c(F)c1 ZINC000038093670 174107350 /nfs/dbraw/zinc/10/73/50/174107350.db2.gz DSRNEWVQYXNBFJ-GFCCVEGCSA-N 1 0 253.361 3.921 10 0 CHAERO COc1ccccc1C1CC([NH2+]CCCC(C)C)C1 ZINC000038093615 174107618 /nfs/dbraw/zinc/10/76/18/174107618.db2.gz GRLZYIHLUQEVKZ-UHFFFAOYSA-N 1 0 261.409 3.967 10 0 CHAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000038095378 174108649 /nfs/dbraw/zinc/10/86/49/174108649.db2.gz GTBNZFAIMWAFNX-FZMZJTMJSA-N 1 0 298.224 3.669 10 0 CHAERO Cc1ccc([C@@H]([NH2+]CC[C@H]2CCCO2)C2CC2)cc1 ZINC000038096262 174110172 /nfs/dbraw/zinc/11/01/72/174110172.db2.gz YWKZENMFKPDHBR-IAGOWNOFSA-N 1 0 259.393 3.605 10 0 CHAERO CC(C)[C@H]([NH2+]CC[C@H]1CCCO1)c1cccs1 ZINC000038096257 174110194 /nfs/dbraw/zinc/11/01/94/174110194.db2.gz MZVJTQVTXGBIFR-OCCSQVGLSA-N 1 0 253.411 3.604 10 0 CHAERO C[NH2+][C@H](Cc1cccc(OC)c1)c1sccc1C ZINC000038134605 174132552 /nfs/dbraw/zinc/13/25/52/174132552.db2.gz JXZYHUOJNWSFQM-CQSZACIVSA-N 1 0 261.390 3.568 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)c1ccc(C)o1 ZINC000038132408 174132575 /nfs/dbraw/zinc/13/25/75/174132575.db2.gz QXTYTBFUACQLHZ-ZDUSSCGKSA-N 1 0 294.192 3.854 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1OC)c1sccc1C ZINC000038135163 174133104 /nfs/dbraw/zinc/13/31/04/174133104.db2.gz GOFUUFMBFMDEEE-AWEZNQCLSA-N 1 0 275.417 3.958 10 0 CHAERO Cc1cc(Cl)cc2[nH]c3c(c21)C[C@H]([NH+](C)C)CC3 ZINC000039214062 174166189 /nfs/dbraw/zinc/16/61/89/174166189.db2.gz SZYWYWSMLKDOEM-LLVKDONJSA-N 1 0 262.784 3.549 10 0 CHAERO C[C@@H]1CCC[C@H](C)N1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000039789083 174173192 /nfs/dbraw/zinc/17/31/92/174173192.db2.gz MVJRDXHZOPQSGC-ZOWXZIJZSA-N 1 0 266.816 3.603 10 0 CHAERO C[C@H](O[C@H]1CCC[C@H](C)C1)[C@H]([NH3+])c1ccc(F)cc1 ZINC000040177317 174202507 /nfs/dbraw/zinc/20/25/07/174202507.db2.gz FVLGVLKCSOIUGD-APYUEPQZSA-N 1 0 265.372 3.809 10 0 CHAERO CC[NH+](CC)CCn1c2ccccc2nc1C(C)C ZINC000040389712 174252464 /nfs/dbraw/zinc/25/24/64/174252464.db2.gz JMYRRAINWOCPOH-UHFFFAOYSA-N 1 0 259.397 3.502 10 0 CHAERO C[C@@H]([NH2+]Cc1cscn1)C12CC3CC(CC(C3)C1)C2 ZINC000040420467 174257232 /nfs/dbraw/zinc/25/72/32/174257232.db2.gz XANCHPRLXPYKAB-UWJCENJNSA-N 1 0 276.449 3.838 10 0 CHAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccnc2)s1 ZINC000040517614 174308148 /nfs/dbraw/zinc/30/81/48/174308148.db2.gz WJOXLXXKLKQGBC-VHSXEESVSA-N 1 0 261.394 3.567 10 0 CHAERO CC[C@H]([NH3+])CCSc1ccc(Br)cc1 ZINC000040542079 174323136 /nfs/dbraw/zinc/32/31/36/174323136.db2.gz FQODOUCASOHZCS-JTQLQIEISA-N 1 0 274.227 3.669 10 0 CHAERO C[C@H]1CCC[C@](C[NH2+]CCC(C)(C)C)(N(C)C)C1 ZINC000040669061 174367296 /nfs/dbraw/zinc/36/72/96/174367296.db2.gz SDOWYDFQGMMLIH-HOCLYGCPSA-N 1 0 254.462 3.523 10 0 CHAERO C[NH2+]C[C@H](C)CCOc1cc(C)c(Cl)c(C)c1 ZINC000041326266 174522672 /nfs/dbraw/zinc/52/26/72/174522672.db2.gz BPSAWLCHWQTXLT-SNVBAGLBSA-N 1 0 255.789 3.581 10 0 CHAERO CC1CC[NH+](CCNc2cccc(Br)c2)CC1 ZINC000041496732 174562004 /nfs/dbraw/zinc/56/20/04/174562004.db2.gz FYBNWBVJORBRSL-UHFFFAOYSA-N 1 0 297.240 3.593 10 0 CHAERO Brc1ccccc1OCCC[NH2+]C1CCCC1 ZINC000041499835 174562386 /nfs/dbraw/zinc/56/23/86/174562386.db2.gz OTWOSEANDXTYNY-UHFFFAOYSA-N 1 0 298.224 3.750 10 0 CHAERO CC(C)C[C@@H](C)[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000042586529 174809031 /nfs/dbraw/zinc/80/90/31/174809031.db2.gz HQDXORKNPJXZSQ-CYBMUJFWSA-N 1 0 265.372 3.765 10 0 CHAERO CC(C)C[C@@H]1CSC(NC[C@@H]2CCCC[C@@H]2C)=[NH+]1 ZINC000042865943 174895067 /nfs/dbraw/zinc/89/50/67/174895067.db2.gz CKFQNZNJPNCQPX-MELADBBJSA-N 1 0 268.470 3.920 10 0 CHAERO [NH3+][C@@H](Cc1ccccn1)c1csc2ccccc21 ZINC000042891620 174902429 /nfs/dbraw/zinc/90/24/29/174902429.db2.gz LJDADWSRIOHJIT-AWEZNQCLSA-N 1 0 254.358 3.539 10 0 CHAERO Cc1ccc([C@@H](O[C@@H]2CCCC[C@@H]2C)[C@@H](C)[NH3+])cc1 ZINC000042911072 174910565 /nfs/dbraw/zinc/91/05/65/174910565.db2.gz AXNUFUMGIXGRPW-ABFRBSLYSA-N 1 0 261.409 3.979 10 0 CHAERO [NH3+]C[C@H](OCc1ccccc1Cl)c1ccc(F)cc1 ZINC000042916551 174916211 /nfs/dbraw/zinc/91/62/11/174916211.db2.gz MFISDYVPRWJKAK-HNNXBMFYSA-N 1 0 279.742 3.696 10 0 CHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1Cl)c1ccc(F)cc1 ZINC000042916228 174916307 /nfs/dbraw/zinc/91/63/07/174916307.db2.gz FRCVTMWTHKHXKZ-BMIGLBTASA-N 1 0 279.742 3.946 10 0 CHAERO C[C@H](O[C@H](C[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000042916683 174916331 /nfs/dbraw/zinc/91/63/31/174916331.db2.gz BMOOPJIXYDZFDD-BLLLJJGKSA-N 1 0 259.324 3.603 10 0 CHAERO CC[C@H]([NH3+])[C@H](OC1CCCCC1)c1ccc(F)cc1 ZINC000042916029 174916348 /nfs/dbraw/zinc/91/63/48/174916348.db2.gz LWVBZRQFCBNZRP-JKSUJKDBSA-N 1 0 265.372 3.953 10 0 CHAERO COc1cccc(S[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000042943047 174918973 /nfs/dbraw/zinc/91/89/73/174918973.db2.gz QXONJEZJHSFVIV-OAHLLOKOSA-N 1 0 277.364 3.626 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000042948255 174922848 /nfs/dbraw/zinc/92/28/48/174922848.db2.gz ZUEDJFNKBMKOLX-MEBBXXQBSA-N 1 0 279.742 3.946 10 0 CHAERO Cc1cccc([C@H](OC2CCC(C)CC2)[C@H](C)[NH3+])c1 ZINC000042968452 174932692 /nfs/dbraw/zinc/93/26/92/174932692.db2.gz VTFHWYYOWUYGLH-CBPVBMDVSA-N 1 0 261.409 3.979 10 0 CHAERO Cc1cccc(O[C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])c1 ZINC000042973525 174937329 /nfs/dbraw/zinc/93/73/29/174937329.db2.gz ZCSWRESCKAYSKN-MLGOLLRUSA-N 1 0 259.324 3.601 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)s1)c1cccc(F)c1 ZINC000042974762 174938150 /nfs/dbraw/zinc/93/81/50/174938150.db2.gz HSRNWRLBVXCFNR-VXGBXAGGSA-N 1 0 297.424 3.556 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Sc1ccccn1)c1cccc(Cl)c1 ZINC000043019106 174944286 /nfs/dbraw/zinc/94/42/86/174944286.db2.gz JSZLZQRSMFDEHK-QMTHXVAHSA-N 1 0 278.808 3.916 10 0 CHAERO CC[C@@H]([NH3+])[C@H](SC(C)C)c1cccc(OC)c1 ZINC000043032956 174949347 /nfs/dbraw/zinc/94/93/47/174949347.db2.gz AZOOUZFLUHBYBM-ZIAGYGMSSA-N 1 0 253.411 3.615 10 0 CHAERO COc1ccc(S[C@H](C[NH3+])c2ccccc2C)cc1 ZINC000043040946 174953265 /nfs/dbraw/zinc/95/32/65/174953265.db2.gz NIGCDGLWCUAXOG-MRXNPFEDSA-N 1 0 273.401 3.796 10 0 CHAERO Cc1csc(S[C@@H](c2ccccc2C)[C@H](C)[NH3+])n1 ZINC000043041172 174953572 /nfs/dbraw/zinc/95/35/72/174953572.db2.gz LSBCJOLDCUFEKU-WCQYABFASA-N 1 0 278.446 3.941 10 0 CHAERO Cc1ccccc1O[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043047030 174957494 /nfs/dbraw/zinc/95/74/94/174957494.db2.gz DFPFBGCNNIEVIM-BLLLJJGKSA-N 1 0 259.324 3.601 10 0 CHAERO CCCN(C)[C@@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043091321 174964071 /nfs/dbraw/zinc/96/40/71/174964071.db2.gz DQMOOWRJSKBOST-KGLIPLIRSA-N 1 0 299.256 3.569 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OCCC(C)C)c1ccccc1OC ZINC000043099427 174967037 /nfs/dbraw/zinc/96/70/37/174967037.db2.gz UPTIQELALSFRDK-GDBMZVCRSA-N 1 0 265.397 3.536 10 0 CHAERO CC[C@H](N)[C@@H](c1cccs1)[NH+]1CCCCCCC1 ZINC000043103130 174969116 /nfs/dbraw/zinc/96/91/16/174969116.db2.gz BHNRAYLBDJEWEL-ZFWWWQNUSA-N 1 0 266.454 3.793 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1Cl)c1cccs1 ZINC000043108257 174973555 /nfs/dbraw/zinc/97/35/55/174973555.db2.gz MIYHZRWMMHWQHJ-NOZJJQNGSA-N 1 0 267.781 3.869 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Oc1cccc(OC)c1)c1cccs1 ZINC000043108069 174973714 /nfs/dbraw/zinc/97/37/14/174973714.db2.gz SPRXPCGLEIQCJU-HIFRSBDPSA-N 1 0 277.389 3.614 10 0 CHAERO C[NH2+][C@H](c1cc(F)cc(F)c1)c1ccccc1Cl ZINC000043387879 175033092 /nfs/dbraw/zinc/03/30/92/175033092.db2.gz FWHOVZRHGIKPPS-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043476890 175054914 /nfs/dbraw/zinc/05/49/14/175054914.db2.gz AUXLQIXRYRTFGU-GWCFXTLKSA-N 1 0 253.773 3.714 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@H]1Cc1c(F)cccc1Cl ZINC000043650362 175085448 /nfs/dbraw/zinc/08/54/48/175085448.db2.gz QJVSJDMKXJBTFZ-IINYFYTJSA-N 1 0 255.764 3.929 10 0 CHAERO CC[NH2+][C@@H](C)[C@@H](C)Cc1cc(Br)cs1 ZINC000043688063 175094902 /nfs/dbraw/zinc/09/49/02/175094902.db2.gz VHFOVTBYZLNDGE-IUCAKERBSA-N 1 0 276.243 3.687 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@@H]1Cc1cc(Br)cs1 ZINC000043688138 175095870 /nfs/dbraw/zinc/09/58/70/175095870.db2.gz PSKFMFIBBNDGHB-BXKDBHETSA-N 1 0 288.254 3.961 10 0 CHAERO O[C@H]1CCCCC[C@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000044126136 175144373 /nfs/dbraw/zinc/14/43/73/175144373.db2.gz UFZNLCJSEVPVGE-MOPGFXCFSA-N 1 0 287.447 3.635 10 0 CHAERO CC[C@@H]([NH3+])Cc1ccccc1Oc1ccc(F)cc1 ZINC000044401662 175171189 /nfs/dbraw/zinc/17/11/89/175171189.db2.gz DBWGAKSXZAAGPP-CQSZACIVSA-N 1 0 259.324 3.898 10 0 CHAERO C[NH2+][C@H]1c2ccccc2C[C@H]1Cc1cccc(F)c1 ZINC000044467684 175177514 /nfs/dbraw/zinc/17/75/14/175177514.db2.gz WILQFXJNZVDJRX-RHSMWYFYSA-N 1 0 255.336 3.501 10 0 CHAERO CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1CCOCC ZINC000044469422 175177542 /nfs/dbraw/zinc/17/75/42/175177542.db2.gz APZRJUKSSOGCKK-KKUMJFAQSA-N 1 0 255.446 3.854 10 0 CHAERO [NH3+][C@H]1CCCC[C@@H]1Cc1cc(Br)cs1 ZINC000049864611 175501988 /nfs/dbraw/zinc/50/19/88/175501988.db2.gz ZEDINJWPUOUVTP-KCJUWKMLSA-N 1 0 274.227 3.571 10 0 CHAERO C[C@@H]([NH3+])c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000058825290 175628877 /nfs/dbraw/zinc/62/88/77/175628877.db2.gz AGUOOFKWNLIJSW-GFCCVEGCSA-N 1 0 268.335 3.848 10 0 CHAERO CCC[NH2+]Cc1nc(C)c(-c2ccc(OC)cc2)s1 ZINC000071170045 176050687 /nfs/dbraw/zinc/05/06/87/176050687.db2.gz MYEZRZYPEBUJEE-UHFFFAOYSA-N 1 0 276.405 3.627 10 0 CHAERO CC(C)(C)c1ccccc1NC(=O)C1(C[NH3+])CCCCC1 ZINC000071174281 176053625 /nfs/dbraw/zinc/05/36/25/176053625.db2.gz UVBUVBZSIVBJHC-UHFFFAOYSA-N 1 0 288.435 3.832 10 0 CHAERO C[C@H](Cc1cccs1)n1c(N)[nH+]c2ccc(F)cc21 ZINC000071271456 176104333 /nfs/dbraw/zinc/10/43/33/176104333.db2.gz KJHPLLVMJBSDPC-SECBINFHSA-N 1 0 275.352 3.623 10 0 CHAERO CCC[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc(Cl)cc1 ZINC000071300176 176113595 /nfs/dbraw/zinc/11/35/95/176113595.db2.gz OXKPNEBMOIDRBN-CABCVRRESA-N 1 0 267.800 3.542 10 0 CHAERO CC[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000071301640 176114136 /nfs/dbraw/zinc/11/41/36/176114136.db2.gz BHAJPTNHPWKFQI-KGLIPLIRSA-N 1 0 288.218 3.805 10 0 CHAERO C[C@H]([NH3+])Cc1ccc(OC/C=C/Cl)c(C(F)(F)F)c1 ZINC000071399672 176152272 /nfs/dbraw/zinc/15/22/72/176152272.db2.gz NAVJDWJACSJQJW-MAHOQKISSA-N 1 0 293.716 3.726 10 0 CHAERO COc1ccc(F)cc1/C(=C/CCC[NH3+])C(C)C ZINC000071573361 176199554 /nfs/dbraw/zinc/19/95/54/176199554.db2.gz IVRHTQSFOAIKQS-AWNIVKPZSA-N 1 0 251.345 3.613 10 0 CHAERO CC(C)[C@H]([NH3+])C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071574849 176201997 /nfs/dbraw/zinc/20/19/97/176201997.db2.gz XCHTWZAVHOPYAR-INIZCTEOSA-N 1 0 253.345 3.520 10 0 CHAERO CCOc1ccc([C@@H](CC[NH3+])C(C)C)cc1Cl ZINC000071577221 176205366 /nfs/dbraw/zinc/20/53/66/176205366.db2.gz FVSFBNYXKAIAEQ-LBPRGKRZSA-N 1 0 255.789 3.827 10 0 CHAERO COc1cc(C)c([C@H](C)CCCC[NH3+])cc1Cl ZINC000071577202 176205405 /nfs/dbraw/zinc/20/54/05/176205405.db2.gz ZIECMWISKKLNBU-SNVBAGLBSA-N 1 0 255.789 3.890 10 0 CHAERO COc1ccc([C@@H](CCC[NH3+])C(C)C)c(Cl)c1 ZINC000071577250 176205513 /nfs/dbraw/zinc/20/55/13/176205513.db2.gz SIPVMNFPWIBJFF-LBPRGKRZSA-N 1 0 255.789 3.827 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2c1cccc(C)c1 ZINC000071630428 176235957 /nfs/dbraw/zinc/23/59/57/176235957.db2.gz LQXJMPZLZVULDN-GOSISDBHSA-N 1 0 279.383 3.728 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2c1ccc(C)cc1 ZINC000071631843 176236672 /nfs/dbraw/zinc/23/66/72/176236672.db2.gz XSEOILXEQUMWJO-SFHVURJKSA-N 1 0 281.399 3.974 10 0 CHAERO CC(C)c1c(C[NH3+])cnn1-c1ccc(Cl)c(Cl)c1 ZINC000071634531 176237834 /nfs/dbraw/zinc/23/78/34/176237834.db2.gz PQJMIUDXLFRXET-UHFFFAOYSA-N 1 0 284.190 3.761 10 0 CHAERO CCN(CC[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000076476728 177025372 /nfs/dbraw/zinc/02/53/72/177025372.db2.gz IHKQLGKJPWXDEA-LJQANCHMSA-N 1 0 280.415 3.790 10 0 CHAERO CCN(CC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000076476732 177025685 /nfs/dbraw/zinc/02/56/85/177025685.db2.gz IHKQLGKJPWXDEA-IBGZPJMESA-N 1 0 280.415 3.790 10 0 CHAERO COc1ccc([C@H](CC[NH3+])CC(C)C)cc1Cl ZINC000076661466 177049047 /nfs/dbraw/zinc/04/90/47/177049047.db2.gz AELFSWDDRXGYEI-GFCCVEGCSA-N 1 0 255.789 3.827 10 0 CHAERO COc1ccc([C@@H](CC[NH3+])CC(C)C)cc1Cl ZINC000076661467 177049180 /nfs/dbraw/zinc/04/91/80/177049180.db2.gz AELFSWDDRXGYEI-LBPRGKRZSA-N 1 0 255.789 3.827 10 0 CHAERO CCOc1ccc([C@H](C[NH3+])CC(C)C)cc1Cl ZINC000076661436 177049183 /nfs/dbraw/zinc/04/91/83/177049183.db2.gz VOEHFORCCLEIQB-LBPRGKRZSA-N 1 0 255.789 3.827 10 0 CHAERO Brc1ccc(CC[C@@H]2CCCCC[NH2+]2)s1 ZINC000076729111 177071570 /nfs/dbraw/zinc/07/15/70/177071570.db2.gz KGTDYWSCFPGTCM-JTQLQIEISA-N 1 0 288.254 3.975 10 0 CHAERO CC[NH2+][C@H](C)c1csc(-c2ccc(F)cc2)n1 ZINC000076784537 177091618 /nfs/dbraw/zinc/09/16/18/177091618.db2.gz HSPHOUCQLIQBGS-SECBINFHSA-N 1 0 250.342 3.620 10 0 CHAERO CCC[NH2+][C@H](C)c1csc(-c2ccc(OC)cc2)n1 ZINC000076784375 177091822 /nfs/dbraw/zinc/09/18/22/177091822.db2.gz HBVRCMADPIBGOZ-LLVKDONJSA-N 1 0 276.405 3.879 10 0 CHAERO C[NH2+]Cc1oc2ccc(-c3ccccc3)cc2c1COC ZINC000077072052 177188194 /nfs/dbraw/zinc/18/81/94/177188194.db2.gz ZCYYSJKHKMWGOR-UHFFFAOYSA-N 1 0 281.355 3.966 10 0 CHAERO COc1ccc([C@@H](C)CC[NH2+]C2CC2)c(Cl)c1 ZINC000077607519 177284317 /nfs/dbraw/zinc/28/43/17/177284317.db2.gz IITTZJOABMIKPU-JTQLQIEISA-N 1 0 253.773 3.594 10 0 CHAERO COc1ccc(Cl)cc1[C@@H](C)CC[NH2+]C1CC1 ZINC000077607514 177284571 /nfs/dbraw/zinc/28/45/71/177284571.db2.gz HMTIJKWNGSEDCR-JTQLQIEISA-N 1 0 253.773 3.594 10 0 CHAERO CC[C@@H]([NH2+][C@@H](CC(C)C)CN(C)C)c1ccc(OC)cc1 ZINC000037166866 260072097 /nfs/dbraw/zinc/07/20/97/260072097.db2.gz GIVHHHNNCSFIER-FUHWJXTLSA-N 1 0 292.467 3.712 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)C1 ZINC000080437235 260180825 /nfs/dbraw/zinc/18/08/25/260180825.db2.gz YXCKZZCHCUZJQX-OAGGEKHMSA-N 1 0 276.424 3.585 10 0 CHAERO COc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1Cl ZINC000086586152 260208722 /nfs/dbraw/zinc/20/87/22/260208722.db2.gz PBPHAHUOAGVVEN-CQSZACIVSA-N 1 0 289.762 3.572 10 0 CHAERO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000088292463 260231129 /nfs/dbraw/zinc/23/11/29/260231129.db2.gz GYFRJTFKVOZKNG-KCQAQPDRSA-N 1 0 274.408 3.509 10 0 CHAERO CSc1ccc(CN2CC[NH2+]CC23CCCCC3)cc1 ZINC000088395715 260232359 /nfs/dbraw/zinc/23/23/59/260232359.db2.gz TXBVBHFRNWQYQO-UHFFFAOYSA-N 1 0 290.476 3.517 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000091023573 260265139 /nfs/dbraw/zinc/26/51/39/260265139.db2.gz WHOJHWUZFYKRBC-LBPRGKRZSA-N 1 0 294.345 3.960 10 0 CHAERO CCn1cccc1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000091023576 260265341 /nfs/dbraw/zinc/26/53/41/260265341.db2.gz WHOJHWUZFYKRBC-GFCCVEGCSA-N 1 0 294.345 3.960 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@@H](C)CCO)c1ccccc1 ZINC000093248987 260273400 /nfs/dbraw/zinc/27/34/00/260273400.db2.gz TUYRUXJHISYQBL-HNAYVOBHSA-N 1 0 283.415 3.693 10 0 CHAERO Cc1c(C[NH2+]C2CCC(c3ccccc3)CC2)cnn1C ZINC000093649429 260297677 /nfs/dbraw/zinc/29/76/77/260297677.db2.gz VDRDEBRXCFHBAF-UHFFFAOYSA-N 1 0 283.419 3.545 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000090176260 260336399 /nfs/dbraw/zinc/33/63/99/260336399.db2.gz NHEJTJQMUQHPRQ-ZKYQVNSYSA-N 1 0 251.345 3.674 10 0 CHAERO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000128476671 260374884 /nfs/dbraw/zinc/37/48/84/260374884.db2.gz XFINKCXLQONRPW-DLBZAZTESA-N 1 0 283.346 3.926 10 0 CHAERO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130512181 260396169 /nfs/dbraw/zinc/39/61/69/260396169.db2.gz FZKCPKJMWBNAER-CJNGLKHVSA-N 1 0 258.409 3.665 10 0 CHAERO CC(C)CC1(C[NH2+]CC2CCOCC2)CCCC1 ZINC000094873642 260549758 /nfs/dbraw/zinc/54/97/58/260549758.db2.gz RCYKRURPEGRMAY-UHFFFAOYSA-N 1 0 253.430 3.609 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]Cc2cccn2C)c2ccccc21 ZINC000154175290 261088602 /nfs/dbraw/zinc/08/86/02/261088602.db2.gz CLSVXGKZFZIFCD-DYVFJYSZSA-N 1 0 254.377 3.753 10 0 CHAERO Cc1ccccc1CCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000175902396 261252061 /nfs/dbraw/zinc/25/20/61/261252061.db2.gz CWLZNTYKHUTAHA-UHFFFAOYSA-N 1 0 283.419 3.530 10 0 CHAERO CN1C(=O)C[C@@H]([NH2+][C@H]2CCCCC2(C)C)c2ccccc21 ZINC000094323020 261291938 /nfs/dbraw/zinc/29/19/38/261291938.db2.gz FJORMDOVTFDRDG-ZBFHGGJFSA-N 1 0 286.419 3.653 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000176539639 261294866 /nfs/dbraw/zinc/29/48/66/261294866.db2.gz IUWIHZMKTREOOD-IBGZPJMESA-N 1 0 291.398 3.571 10 0 CHAERO CC(C)(C)CC(C)(C)[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000105608186 261312522 /nfs/dbraw/zinc/31/25/22/261312522.db2.gz RURZKMRDZLDFRI-UHFFFAOYSA-N 1 0 277.368 3.634 10 0 CHAERO COc1ccc([C@@H](C)C[NH2+][C@H](C)CC(C)(C)OC)cc1 ZINC000182478133 261940133 /nfs/dbraw/zinc/94/01/33/261940133.db2.gz XJIMKCBNSDOUBL-UONOGXRCSA-N 1 0 279.424 3.592 10 0 CHAERO Cc1cnn(CCCCC[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000182598408 261945353 /nfs/dbraw/zinc/94/53/53/261945353.db2.gz COBZPPMIRPHQTC-HNNXBMFYSA-N 1 0 275.396 3.614 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000309824865 262028677 /nfs/dbraw/zinc/02/86/77/262028677.db2.gz XDMLACFRWAMTCT-OWYVNGRQSA-N 1 0 280.209 3.825 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC000390576121 262222034 /nfs/dbraw/zinc/22/20/34/262222034.db2.gz FQOZRVCAMQTQIH-HZPDHXFCSA-N 1 0 269.388 3.943 10 0 CHAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1cccs1 ZINC000390726951 262247110 /nfs/dbraw/zinc/24/71/10/262247110.db2.gz RUYLTUHWUWKTTN-GJZGRUSLSA-N 1 0 288.460 3.919 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cncc(F)c1 ZINC000221689709 262290902 /nfs/dbraw/zinc/29/09/02/262290902.db2.gz LWWUIQVUEFBFQO-WDEREUQCSA-N 1 0 262.303 3.772 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190598948 264427507 /nfs/dbraw/zinc/42/75/07/264427507.db2.gz GJILYUGRGDNOGL-JWKOBGCHSA-N 1 0 286.238 3.960 10 0 CHAERO Cc1nccn1CCCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000118993081 267284382 /nfs/dbraw/zinc/28/43/82/267284382.db2.gz VDGXEPMPNHDUOR-UHFFFAOYSA-N 1 0 295.430 3.761 10 0 CHAERO c1ccc(Oc2ccccc2C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000575141539 327643987 /nfs/dbraw/zinc/64/39/87/327643987.db2.gz UFBJHADKALXBJU-MAUKXSAKSA-N 1 0 265.356 3.631 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCCOC1 ZINC000388469520 327883154 /nfs/dbraw/zinc/88/31/54/327883154.db2.gz LPDCJFUCHQIHHC-QNWHQSFQSA-N 1 0 279.346 3.512 10 0 CHAERO CC1CCC(C[NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000063144637 328034494 /nfs/dbraw/zinc/03/44/94/328034494.db2.gz QUMQWSNYGKDWHP-ZUEPYMLJSA-N 1 0 259.393 3.795 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000280898563 328236894 /nfs/dbraw/zinc/23/68/94/328236894.db2.gz BKTDAANJQZNRRT-RNJOBUHISA-N 1 0 283.362 3.819 10 0 CHAERO C[C@H]([NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000187759560 328301784 /nfs/dbraw/zinc/30/17/84/328301784.db2.gz UZUUGPDJXQMYPW-DZOHQFGASA-N 1 0 273.420 3.654 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)C(C)C ZINC000049126833 328341245 /nfs/dbraw/zinc/34/12/45/328341245.db2.gz NXOYQCSSNPRESZ-STQMWFEESA-N 1 0 259.397 3.659 10 0 CHAERO CCC[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000536955157 330383016 /nfs/dbraw/zinc/38/30/16/330383016.db2.gz UVWVVITWJWJWIX-WCQYABFASA-N 1 0 268.198 3.552 10 0 CHAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000036960589 326901407 /nfs/dbraw/zinc/90/14/07/326901407.db2.gz PGROYRWRDQCXQZ-GXTWGEPZSA-N 1 0 273.376 3.878 10 0 CHAERO CCC[C@@H]([NH2+][C@H](C)c1ncc(C)o1)C1CCCC1 ZINC000313421084 327128588 /nfs/dbraw/zinc/12/85/88/327128588.db2.gz DKOBYAZYYVWDGE-TZMCWYRMSA-N 1 0 250.386 3.993 10 0 CHAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1cccs1 ZINC000397457858 327453806 /nfs/dbraw/zinc/45/38/06/327453806.db2.gz NBWSGAPRVPTIDM-UHFFFAOYSA-N 1 0 298.452 3.531 10 0 CHAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000051769896 328632638 /nfs/dbraw/zinc/63/26/38/328632638.db2.gz QRCRYAGZLGVXHG-XKQJLSEDSA-N 1 0 261.409 3.764 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000300413318 332814569 /nfs/dbraw/zinc/81/45/69/332814569.db2.gz ADTBBFQSPOKXHB-QKCSRTOESA-N 1 0 251.345 3.674 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000324325048 328739797 /nfs/dbraw/zinc/73/97/97/328739797.db2.gz IYCYPLUKNRGCRQ-XJKSGUPXSA-N 1 0 279.424 3.533 10 0 CHAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324663678 328772182 /nfs/dbraw/zinc/77/21/82/328772182.db2.gz IWQANMXBLMUEMR-NVXWUHKLSA-N 1 0 257.377 3.679 10 0 CHAERO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000173653363 329150344 /nfs/dbraw/zinc/15/03/44/329150344.db2.gz RQACBDIXGXDDOM-MRXNPFEDSA-N 1 0 298.386 3.754 10 0 CHAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1cccc(F)c1 ZINC000173989850 329152048 /nfs/dbraw/zinc/15/20/48/329152048.db2.gz OWRVGTWMHJIUDX-LBPRGKRZSA-N 1 0 270.351 3.944 10 0 CHAERO CCOC[C@@H](C)[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178727727 329200410 /nfs/dbraw/zinc/20/04/10/329200410.db2.gz OUFYWGODUSTBNQ-GDBMZVCRSA-N 1 0 289.419 3.838 10 0 CHAERO COCCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000179561758 329209719 /nfs/dbraw/zinc/20/97/19/329209719.db2.gz YPWRPBWPVLCPAU-MLGOLLRUSA-N 1 0 265.372 3.608 10 0 CHAERO CCC[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179986180 329214242 /nfs/dbraw/zinc/21/42/42/329214242.db2.gz CCNRBBIIASXSON-HUUCEWRRSA-N 1 0 290.455 3.578 10 0 CHAERO CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179986193 329214325 /nfs/dbraw/zinc/21/43/25/329214325.db2.gz CCNRBBIIASXSON-LSDHHAIUSA-N 1 0 290.455 3.578 10 0 CHAERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cccs1 ZINC000180397146 329215764 /nfs/dbraw/zinc/21/57/64/329215764.db2.gz HPWZMNNXGDAPND-YPMHNXCESA-N 1 0 286.400 3.525 10 0 CHAERO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c(C(C)(C)C)n1 ZINC000180193657 329218319 /nfs/dbraw/zinc/21/83/19/329218319.db2.gz SAHKBLMRBHEWBV-CQSZACIVSA-N 1 0 287.407 3.648 10 0 CHAERO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000182312026 329241689 /nfs/dbraw/zinc/24/16/89/329241689.db2.gz BDVBGNGJRRARAL-HNNXBMFYSA-N 1 0 269.344 3.690 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000227555453 329327536 /nfs/dbraw/zinc/32/75/36/329327536.db2.gz AQVNZLDMUMSCBL-WXHSDQCUSA-N 1 0 250.386 3.848 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccs1 ZINC000188950024 329375804 /nfs/dbraw/zinc/37/58/04/329375804.db2.gz ZAHGPMNUHBDDNS-AWEZNQCLSA-N 1 0 259.374 3.670 10 0 CHAERO FC(F)Sc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000190335569 329395037 /nfs/dbraw/zinc/39/50/37/329395037.db2.gz GNRJKGPESBYXSE-MCIONIFRSA-N 1 0 299.386 3.658 10 0 CHAERO C[C@@H](O)CC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000085982611 329396666 /nfs/dbraw/zinc/39/66/66/329396666.db2.gz RZXNTFKNDLATGW-HTQZYQBOSA-N 1 0 280.170 3.554 10 0 CHAERO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000397825231 329399336 /nfs/dbraw/zinc/39/93/36/329399336.db2.gz ARZOAJQMLDXUDT-DAXOMENPSA-N 1 0 261.434 3.795 10 0 CHAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000397825238 329399449 /nfs/dbraw/zinc/39/94/49/329399449.db2.gz ARZOAJQMLDXUDT-WQVCFCJDSA-N 1 0 261.434 3.795 10 0 CHAERO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000233843669 329410611 /nfs/dbraw/zinc/41/06/11/329410611.db2.gz YZSALCZREVNGJM-NUEKZKHPSA-N 1 0 261.434 3.590 10 0 CHAERO COC[C@@H]([NH2+]Cc1cscc1C)c1ccccc1 ZINC000234723646 329428120 /nfs/dbraw/zinc/42/81/20/329428120.db2.gz NCXSVERSCACFOZ-OAHLLOKOSA-N 1 0 261.390 3.534 10 0 CHAERO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccncc1 ZINC000245539871 329705541 /nfs/dbraw/zinc/70/55/41/329705541.db2.gz LQVFRRNSFMBLCD-QGTPRVQTSA-N 1 0 282.387 3.653 10 0 CHAERO Cc1cccc([C@H](C)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000075639135 329874889 /nfs/dbraw/zinc/87/48/89/329874889.db2.gz ZWIBWLNYJZCJFF-INIZCTEOSA-N 1 0 272.436 3.616 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000248180806 329888236 /nfs/dbraw/zinc/88/82/36/329888236.db2.gz WJJMGAPBTVKRCJ-BYCMXARLSA-N 1 0 295.423 3.503 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(Cl)s1 ZINC000269039619 330067861 /nfs/dbraw/zinc/06/78/61/330067861.db2.gz UZJBHOVRNOVANW-DCAQKATOSA-N 1 0 273.829 3.603 10 0 CHAERO CC[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000396715219 330224395 /nfs/dbraw/zinc/22/43/95/330224395.db2.gz RBOHUFNVNFINDO-TUKIKUTGSA-N 1 0 266.816 3.521 10 0 CHAERO CC(C)CCOc1ccc(C[NH2+][C@H](C)C2CC2)cc1 ZINC000035136445 330242570 /nfs/dbraw/zinc/24/25/70/330242570.db2.gz LLGHPVCHVWBJLZ-CQSZACIVSA-N 1 0 261.409 4.000 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CC(C)(C)C1 ZINC000036859338 330302297 /nfs/dbraw/zinc/30/22/97/330302297.db2.gz OMNWDNDJBPJBSQ-ILXRZTDVSA-N 1 0 278.440 3.687 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000044674169 330331536 /nfs/dbraw/zinc/33/15/36/330331536.db2.gz OAZQOVGBEZLABP-MAZHCROVSA-N 1 0 281.355 3.622 10 0 CHAERO CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000044690310 330332264 /nfs/dbraw/zinc/33/22/64/330332264.db2.gz RNQVEIJBRJNWKW-HUUCEWRRSA-N 1 0 279.424 3.797 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H]3CCCc4ccccc43)C2)c1 ZINC000106221238 330333808 /nfs/dbraw/zinc/33/38/08/330333808.db2.gz JVFIFNNMFGURMR-IEBWSBKVSA-N 1 0 295.430 3.906 10 0 CHAERO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000119304946 330372568 /nfs/dbraw/zinc/37/25/68/330372568.db2.gz URPRSMCDQSNVPW-CABCVRRESA-N 1 0 298.430 3.795 10 0 CHAERO [NH3+]CC[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087761856 330374212 /nfs/dbraw/zinc/37/42/12/330374212.db2.gz FFWJWGIXSFFLAF-ZDUSSCGKSA-N 1 0 287.234 3.697 10 0 CHAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087761798 330374299 /nfs/dbraw/zinc/37/42/99/330374299.db2.gz GRWJELCDVIYBFW-HZMBPMFUSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000087758692 330374346 /nfs/dbraw/zinc/37/43/46/330374346.db2.gz JVOUQBAWEWVCCO-TVQRCGJNSA-N 1 0 274.191 3.651 10 0 CHAERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C)cc1 ZINC000120431236 330388675 /nfs/dbraw/zinc/38/86/75/330388675.db2.gz MQJZKZTXSLNENJ-HNNXBMFYSA-N 1 0 296.414 3.847 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1OC(F)(F)F ZINC000120425618 330388703 /nfs/dbraw/zinc/38/87/03/330388703.db2.gz WSPHHXMOHIQALM-ATZCPNFKSA-N 1 0 259.271 3.644 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(OC(F)(F)F)c1 ZINC000120555796 330389420 /nfs/dbraw/zinc/38/94/20/330389420.db2.gz WXBVPHSPCCSBHP-VDDIYKPWSA-N 1 0 259.271 3.644 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)cc1 ZINC000120770947 330391246 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Cc1cccc(C)c1C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000466425915 331396587 /nfs/dbraw/zinc/39/65/87/331396587.db2.gz NNSIEXYAUATYJJ-GJZGRUSLSA-N 1 0 261.409 3.597 10 0 CHAERO Cc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000466427096 331396768 /nfs/dbraw/zinc/39/67/68/331396768.db2.gz VENSPUAIAUBMSW-GJZGRUSLSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C[C@H](C)O1 ZINC000467434417 331419010 /nfs/dbraw/zinc/41/90/10/331419010.db2.gz CYZSTVYGGMJVNF-RHLABLPZSA-N 1 0 277.452 3.604 10 0 CHAERO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)on1 ZINC000249797657 334340602 /nfs/dbraw/zinc/34/06/02/334340602.db2.gz AXCJMAQWSHRMHP-TUKIKUTGSA-N 1 0 250.386 3.533 10 0 CHAERO C[C@H]1CC([NH2+][C@H]2CCOc3ccccc32)C[C@H](C)C1 ZINC000252131193 334374191 /nfs/dbraw/zinc/37/41/91/334374191.db2.gz MANGRJPPKNRKBI-IOASZLSFSA-N 1 0 259.393 3.925 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCc2ccc(Br)cc21)C1CC1 ZINC000304244002 332968322 /nfs/dbraw/zinc/96/83/22/332968322.db2.gz OPLOHMPDSXPXPX-YMTOWFKASA-N 1 0 280.209 3.825 10 0 CHAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCc2ccccc21 ZINC000309724471 333048181 /nfs/dbraw/zinc/04/81/81/333048181.db2.gz NBSJFXNUMOBMGB-OXJNMPFZSA-N 1 0 294.442 3.784 10 0 CHAERO C[C@H]1C[C@H]1Nc1ccnc2c(Br)cccc12 ZINC000309794771 333049650 /nfs/dbraw/zinc/04/96/50/333049650.db2.gz PWYHMSCKTWJHPK-QPUJVOFHSA-N 1 0 277.165 3.818 10 0 CHAERO C[C@@H]1C[C@@H]1Nc1ccnc2c(Br)cccc12 ZINC000309794767 333049748 /nfs/dbraw/zinc/04/97/48/333049748.db2.gz PWYHMSCKTWJHPK-PELKAZGASA-N 1 0 277.165 3.818 10 0 CHAERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000177410962 333058538 /nfs/dbraw/zinc/05/85/38/333058538.db2.gz CVHANIFLYUFCIZ-GJZGRUSLSA-N 1 0 298.430 3.746 10 0 CHAERO c1ccc2c(c1)-c1ccccc1C2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177982093 333066331 /nfs/dbraw/zinc/06/63/31/333066331.db2.gz XPJTWMGIWZGVHD-OAHLLOKOSA-N 1 0 290.410 3.536 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc21 ZINC000178331740 333071151 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ZINC000189215867 333186231 /nfs/dbraw/zinc/18/62/31/333186231.db2.gz HRDGFIGFYFRLJA-SFHVURJKSA-N 1 0 297.446 3.936 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(C)cc1 ZINC000223848860 333212658 /nfs/dbraw/zinc/21/26/58/333212658.db2.gz CRJOPHICWXLKTM-IXDOHACOSA-N 1 0 261.409 3.587 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000224064140 333216266 /nfs/dbraw/zinc/21/62/66/333216266.db2.gz VNOHPPRWGCXZNT-FPCVCCKLSA-N 1 0 267.457 3.732 10 0 CHAERO CCCOc1ccc([C@@H](C)[NH2+]C2CC(OCC)C2)cc1 ZINC000224614337 333223345 /nfs/dbraw/zinc/22/33/45/333223345.db2.gz YWCWMKVJJMQKKY-BZOOQXSSSA-N 1 0 277.408 3.694 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000224983951 333228296 /nfs/dbraw/zinc/22/82/96/333228296.db2.gz GCEKWJGGOLWWGW-STQMWFEESA-N 1 0 284.394 3.592 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)[C@@H](C)C1 ZINC000226156025 333252102 /nfs/dbraw/zinc/25/21/02/333252102.db2.gz CFHAUYKQAREACA-BFJAYTPKSA-N 1 0 286.419 3.509 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000226612490 333265938 /nfs/dbraw/zinc/26/59/38/333265938.db2.gz OADHTBIULGDSGB-URGYJCLVSA-N 1 0 296.455 3.601 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000226619782 333266212 /nfs/dbraw/zinc/26/62/12/333266212.db2.gz BBWZFWXGMOUIMV-NJAFHUGGSA-N 1 0 266.388 3.949 10 0 CHAERO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000230047589 333312562 /nfs/dbraw/zinc/31/25/62/333312562.db2.gz TVRAGGVLGDAMTF-RIEGTJTDSA-N 1 0 299.245 3.553 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC(C)(C)C1 ZINC000230662708 333319999 /nfs/dbraw/zinc/31/99/99/333319999.db2.gz LAEQCHCBEPWQGO-RDBSUJKOSA-N 1 0 255.446 3.588 10 0 CHAERO OC[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000231293593 333324571 /nfs/dbraw/zinc/32/45/71/333324571.db2.gz LXGWXHIATOUIGL-GOEBONIOSA-N 1 0 265.441 3.630 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(Cl)cc2)o1 ZINC000231901076 333331853 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CCCCCN(CCCCC)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070576432 333817364 /nfs/dbraw/zinc/81/73/64/333817364.db2.gz MHKHYKZRPSBHOX-HOTGVXAUSA-N 1 0 282.472 3.713 10 0 CHAERO CC[C@H](C)C[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000133568286 334045327 /nfs/dbraw/zinc/04/53/27/334045327.db2.gz DIXBAXVBPYTVEO-QWHCGFSZSA-N 1 0 259.397 3.753 10 0 CHAERO C[C@H]([NH2+]CC(C)(C)O)c1c(Cl)ccc(F)c1Cl ZINC000078514748 334135200 /nfs/dbraw/zinc/13/52/00/334135200.db2.gz JWJWYKRUGNYIKZ-ZETCQYMHSA-N 1 0 280.170 3.554 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@H]1C)c1cccs1 ZINC000247150808 334276468 /nfs/dbraw/zinc/27/64/68/334276468.db2.gz SXTQTFGMVAFVDQ-HZSPNIEDSA-N 1 0 266.454 3.518 10 0 CHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000245510313 334198863 /nfs/dbraw/zinc/19/88/63/334198863.db2.gz WALZMPPBURBYFW-VDERGJSUSA-N 1 0 259.393 3.700 10 0 CHAERO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000246138723 334236036 /nfs/dbraw/zinc/23/60/36/334236036.db2.gz NJFMGKZONQSLSR-SJORKVTESA-N 1 0 295.430 3.885 10 0 CHAERO Cc1cccc([C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000247990471 334292914 /nfs/dbraw/zinc/29/29/14/334292914.db2.gz JIRLBZUEYUNEGE-SZMVWBNQSA-N 1 0 273.420 3.683 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000247986028 334293074 /nfs/dbraw/zinc/29/30/74/334293074.db2.gz IUXFZVQGYFOCCI-CORIIIEPSA-N 1 0 267.800 3.542 10 0 CHAERO Cc1noc(C)c1CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000248150291 334295912 /nfs/dbraw/zinc/29/59/12/334295912.db2.gz QSFFRYHSWVRDRT-ISTRZQFTSA-N 1 0 278.440 3.884 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(-c2ccccc2)o1 ZINC000248170118 334296491 /nfs/dbraw/zinc/29/64/91/334296491.db2.gz UPDHUEHZZAXBMS-CWRNSKLLSA-N 1 0 285.387 3.901 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000248529231 334304794 /nfs/dbraw/zinc/30/47/94/334304794.db2.gz KNJYDERDZWSEEL-GRDNDAEWSA-N 1 0 277.408 3.694 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(OC(C)(C)C)cc1 ZINC000248816608 334317957 /nfs/dbraw/zinc/31/79/57/334317957.db2.gz KZMIEZBVQMBUTA-RRQGHBQHSA-N 1 0 291.435 3.818 10 0 CHAERO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccsc1 ZINC000248966121 334323272 /nfs/dbraw/zinc/32/32/72/334323272.db2.gz RVYTXEGYEWTKPA-FPMFFAJLSA-N 1 0 253.411 3.746 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](CC)C2)C12CCOCC2 ZINC000249043260 334325670 /nfs/dbraw/zinc/32/56/70/334325670.db2.gz VNFQMGCYXQFCOZ-LUKYLMHMSA-N 1 0 295.467 3.519 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000249719473 334339259 /nfs/dbraw/zinc/33/92/59/334339259.db2.gz CODDECAQQLXUSU-GRDNDAEWSA-N 1 0 261.409 3.857 10 0 CHAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000251293119 334359545 /nfs/dbraw/zinc/35/95/45/334359545.db2.gz WMEQSYNCKCDHKB-RRQGHBQHSA-N 1 0 267.372 3.902 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000251740276 334368543 /nfs/dbraw/zinc/36/85/43/334368543.db2.gz TVFWSMAICLKHKE-MGPQQGTHSA-N 1 0 277.408 3.933 10 0 CHAERO CCc1ccc([C@H](CC)[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000252436975 334379752 /nfs/dbraw/zinc/37/97/52/334379752.db2.gz SNQSAZMUESDALU-XOKHGSTOSA-N 1 0 261.409 3.857 10 0 CHAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]1O ZINC000252678226 334385041 /nfs/dbraw/zinc/38/50/41/334385041.db2.gz GEFDXDUSBSWMJL-GZBFAFLISA-N 1 0 273.376 3.553 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)c1C ZINC000252696177 334385542 /nfs/dbraw/zinc/38/55/42/334385542.db2.gz MZFOEFQPJRTYFB-YQQAZPJKSA-N 1 0 261.409 3.505 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000252713121 334386202 /nfs/dbraw/zinc/38/62/02/334386202.db2.gz OJSZQESYPXRTNH-RDZIJCNDSA-N 1 0 284.172 3.574 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1C ZINC000252728640 334387002 /nfs/dbraw/zinc/38/70/02/334387002.db2.gz CCYPWMQHHLMELG-HUBLWGQQSA-N 1 0 263.429 3.749 10 0 CHAERO CCN1CC[C@@H]([NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000381081570 336049268 /nfs/dbraw/zinc/04/92/68/336049268.db2.gz UUZKENAJTUVPEK-ZBFHGGJFSA-N 1 0 278.465 3.663 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)C2CCCCC2)o1 ZINC000381199942 336054793 /nfs/dbraw/zinc/05/47/93/336054793.db2.gz BXYXZLQIVWPARH-DGCLKSJQSA-N 1 0 250.386 3.850 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H]1C=CCCCCC1 ZINC000383499403 336111117 /nfs/dbraw/zinc/11/11/17/336111117.db2.gz ZMYJGFCJGAZNSI-BSDSXHPESA-N 1 0 277.452 3.891 10 0 CHAERO CC(C)[NH2+]CCCCO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629129 519720567 /nfs/dbraw/zinc/72/05/67/519720567.db2.gz NKODOIKQCRJVNM-HUUCEWRRSA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000053655275 519725109 /nfs/dbraw/zinc/72/51/09/519725109.db2.gz NXIXKRDUIWGFMA-OAHLLOKOSA-N 1 0 280.843 3.550 10 0 CHAERO CC(C)C[NH2+]C[C@H](O[C@H]1CCC[C@H](C)C1)C(C)C ZINC000052631564 519746048 /nfs/dbraw/zinc/74/60/48/519746048.db2.gz DAZJIWBPIDUIPO-JYJNAYRXSA-N 1 0 255.446 3.852 10 0 CHAERO CCC1CC[NH+](C[C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054561581 519858988 /nfs/dbraw/zinc/85/89/88/519858988.db2.gz CBBCUOFWYXIMQJ-BBWFWOEESA-N 1 0 267.457 3.542 10 0 CHAERO CCC[NH2+]C[C@@H](CCC)Cc1cc(C)ccc1OC ZINC000052969924 519921268 /nfs/dbraw/zinc/92/12/68/519921268.db2.gz GXHHTFSSPIZOBY-HNNXBMFYSA-N 1 0 263.425 3.962 10 0 CHAERO CCC[NH2+]C[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000053011147 519935734 /nfs/dbraw/zinc/93/57/34/519935734.db2.gz DUZDTAGFXACUHN-GFCCVEGCSA-N 1 0 286.341 3.531 10 0 CHAERO CCC[NH2+][C@@H](C)[C@H](CC)CCCOCC(F)(F)F ZINC000049312838 519986761 /nfs/dbraw/zinc/98/67/61/519986761.db2.gz KTRKVBGQEREVQI-NWDGAFQWSA-N 1 0 269.351 3.760 10 0 CHAERO CCC[NH2+][C@@H]1CCCc2c(Br)cc(OC)cc21 ZINC000054742226 520023507 /nfs/dbraw/zinc/02/35/07/520023507.db2.gz AAFDJYUXGICRGK-CQSZACIVSA-N 1 0 298.224 3.835 10 0 CHAERO CC[NH2+]Cc1sc(N(C)[C@@H](C)CC(C)C)nc1CC ZINC000055001566 520033508 /nfs/dbraw/zinc/03/35/08/520033508.db2.gz YNGXNJZWNNEHAY-LBPRGKRZSA-N 1 0 283.485 3.686 10 0 CHAERO CCC[C@H](C)COc1c(Cl)cc(CC[NH3+])cc1OC ZINC000051322947 521020303 /nfs/dbraw/zinc/02/03/03/521020303.db2.gz AATYBLAGHRFQAR-NSHDSACASA-N 1 0 285.815 3.665 10 0 CHAERO CCCC[C@@H](CC)Cn1nc(C)c([C@H](C)[NH3+])c1C ZINC000054716547 521037897 /nfs/dbraw/zinc/03/78/97/521037897.db2.gz IUDISRXREYDKSA-SMDDNHRTSA-N 1 0 251.418 3.736 10 0 CHAERO CCCC[C@H](C)[NH2+]Cc1cccc(OCC)c1OC ZINC000050887536 521148013 /nfs/dbraw/zinc/14/80/13/521148013.db2.gz KLXJYHKGORRSER-ZDUSSCGKSA-N 1 0 265.397 3.762 10 0 CHAERO CCCc1nc(N2CCCC[C@@H]2C)sc1C[NH2+]CC ZINC000054995257 521530312 /nfs/dbraw/zinc/53/03/12/521530312.db2.gz OWPJAFFYEKJVJO-LBPRGKRZSA-N 1 0 281.469 3.584 10 0 CHAERO CC[C@H](C)O[C@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050484607 521756436 /nfs/dbraw/zinc/75/64/36/521756436.db2.gz PXVRXCZVNNRDFX-SWLSCSKDSA-N 1 0 253.361 3.680 10 0 CHAERO C[NH2+]CC1(O[C@H]2CCCC[C@H]2C)CCC(C)CC1 ZINC000050491597 521972501 /nfs/dbraw/zinc/97/25/01/521972501.db2.gz AATOLWQBEUKBAX-FYRZTWFESA-N 1 0 253.430 3.750 10 0 CHAERO [NH3+]Cc1cccc(CO[C@H]2CCCc3ccccc32)c1 ZINC000019282722 518197576 /nfs/dbraw/zinc/19/75/76/518197576.db2.gz NROKXKSKYCCDEN-SFHVURJKSA-N 1 0 267.372 3.740 10 0 CHAERO CC(C)(C)[NH2+]CCCCCN1CCc2ccccc21 ZINC000052420339 518755903 /nfs/dbraw/zinc/75/59/03/518755903.db2.gz RDIRHZZAHQALHA-UHFFFAOYSA-N 1 0 260.425 3.608 10 0 CHAERO CC(C)(C)[NH2+]Cc1cnc(-c2ccc(F)cc2)s1 ZINC000052331434 518766403 /nfs/dbraw/zinc/76/64/03/518766403.db2.gz XZPJTBNPQXATPG-UHFFFAOYSA-N 1 0 264.369 3.837 10 0 CHAERO CC(C)(C)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000052331432 518769007 /nfs/dbraw/zinc/76/90/07/518769007.db2.gz FFUFUFHSVLFBAQ-UHFFFAOYSA-N 1 0 252.408 3.760 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@]1([NH3+])c1cncc(F)c1 ZINC000049575972 518972480 /nfs/dbraw/zinc/97/24/80/518972480.db2.gz ATTGCTYZQGASFT-HIFRSBDPSA-N 1 0 250.361 3.611 10 0 CHAERO CC(C)C[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C1CCCCC1 ZINC000062663209 519274046 /nfs/dbraw/zinc/27/40/46/519274046.db2.gz GYKUNEHVVSUGLH-SJORKVTESA-N 1 0 266.473 3.664 10 0 CHAERO CC(C)C[C@H]1C[NH2+]C(C)(C)CN1Cc1cccc(Cl)c1 ZINC000062708893 519415874 /nfs/dbraw/zinc/41/58/74/519415874.db2.gz GENOCXOAPPBXLG-INIZCTEOSA-N 1 0 294.870 3.939 10 0 CHAERO CC(C)N(CC(F)(F)F)c1cc(Cl)ccc1C[NH3+] ZINC000062787005 519638791 /nfs/dbraw/zinc/63/87/91/519638791.db2.gz PYYZZONCXIABQP-UHFFFAOYSA-N 1 0 280.721 3.576 10 0 CHAERO CC(C)CC[NH2+]C[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000053608236 519663303 /nfs/dbraw/zinc/66/33/03/519663303.db2.gz UNRDZNIOUGUJOL-LBPRGKRZSA-N 1 0 277.437 3.679 10 0 CHAERO CC(C)CCOCC[C@H](C[NH3+])Cc1ccccc1Cl ZINC000052948575 519669334 /nfs/dbraw/zinc/66/93/34/519669334.db2.gz BPGZGEFPMRAHGO-AWEZNQCLSA-N 1 0 283.843 3.910 10 0 CHAERO CC(C)CN(CC(C)C)c1ncc(C[NH2+]C2CC2)s1 ZINC000054905991 519713647 /nfs/dbraw/zinc/71/36/47/519713647.db2.gz YMRMARKXRMPNCD-UHFFFAOYSA-N 1 0 281.469 3.514 10 0 CHAERO CC(C)C[N@H+](Cc1nc2sccc2c(Cl)n1)C1CC1 ZINC000050840366 519718628 /nfs/dbraw/zinc/71/86/28/519718628.db2.gz LIFWIKYNPVGRRW-UHFFFAOYSA-N 1 0 295.839 3.965 10 0 CHAERO CC(C)[NH2+]C[C@H](OC[C@H]1CC=CC[C@@H]1C)C(C)C ZINC000052632288 519724924 /nfs/dbraw/zinc/72/49/24/519724924.db2.gz MXLLEUKRVJXWBL-XHSDSOJGSA-N 1 0 253.430 3.628 10 0 CHAERO CC(C)C[NH2+]C[C@H](O[C@@H]1CCC[C@H](C)C1)C(C)C ZINC000052631566 519746011 /nfs/dbraw/zinc/74/60/11/519746011.db2.gz DAZJIWBPIDUIPO-XHSDSOJGSA-N 1 0 255.446 3.852 10 0 CHAERO CC(C)C[NH2+]Cc1nc(CO[C@@H](C)CC(C)C)cs1 ZINC000052603096 519748531 /nfs/dbraw/zinc/74/85/31/519748531.db2.gz MYEJFVDSWUZZOC-ZDUSSCGKSA-N 1 0 284.469 3.840 10 0 CHAERO CC(C)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000054856663 519748580 /nfs/dbraw/zinc/74/85/80/519748580.db2.gz PRTRCXOGMRIRIA-UHFFFAOYSA-N 1 0 275.783 3.543 10 0 CHAERO CC(C)[C@@H](C)[NH2+]CCn1ccc2ccc(Cl)cc21 ZINC000053529143 519792293 /nfs/dbraw/zinc/79/22/93/519792293.db2.gz QIMMYVJMQQAVIL-GFCCVEGCSA-N 1 0 264.800 3.929 10 0 CHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000151673338 519792492 /nfs/dbraw/zinc/79/24/92/519792492.db2.gz HLBZYAONLODOGM-KGLIPLIRSA-N 1 0 257.381 3.567 10 0 CHAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)n1cnc2ccccc21 ZINC000052576520 519794792 /nfs/dbraw/zinc/79/47/92/519794792.db2.gz DWLQVCDIOWGCEK-OAHLLOKOSA-N 1 0 259.397 3.622 10 0 CHAERO CC(C)[C@H](CCOCC(F)(F)F)C[NH2+]C(C)(C)C ZINC000052972688 519814076 /nfs/dbraw/zinc/81/40/76/519814076.db2.gz TVJCYABWFGZACN-LLVKDONJSA-N 1 0 269.351 3.616 10 0 CHAERO CC(C)[C@H](C[NH+](C)C)NCc1c(Cl)cccc1Cl ZINC000049196614 519814684 /nfs/dbraw/zinc/81/46/84/519814684.db2.gz MLXYFJXTGGFPLR-AWEZNQCLSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000049196462 519814823 /nfs/dbraw/zinc/81/48/23/519814823.db2.gz ZSJADYXZZYAUBF-WFASDCNBSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1Cc1ccc(Cl)cc1 ZINC000062671502 519827049 /nfs/dbraw/zinc/82/70/49/519827049.db2.gz WQXNDXHXKZPRIK-OAHLLOKOSA-N 1 0 280.843 3.548 10 0 CHAERO CCCC1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052906342 519904093 /nfs/dbraw/zinc/90/40/93/519904093.db2.gz XLPJAYXKVHBVGW-UHFFFAOYSA-N 1 0 279.815 3.641 10 0 CHAERO CCCC1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052857836 519904430 /nfs/dbraw/zinc/90/44/30/519904430.db2.gz KCWQUUPELSNQIZ-UHFFFAOYSA-N 1 0 266.816 3.815 10 0 CHAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CCCCCC1 ZINC000054601941 519910273 /nfs/dbraw/zinc/91/02/73/519910273.db2.gz LVLOUSPZFFOTQQ-ZXFUBFMLSA-N 1 0 264.457 3.704 10 0 CHAERO CCC[NH2+]C[C@@H](CCOC)Cc1ccc(Cl)cc1 ZINC000052975303 519921454 /nfs/dbraw/zinc/92/14/54/519921454.db2.gz CGCBAMQUOUCFRI-AWEZNQCLSA-N 1 0 269.816 3.535 10 0 CHAERO CC[NH2+]C[C@@H](OCCCC(C)C)c1cccc(F)c1 ZINC000050496902 519948006 /nfs/dbraw/zinc/94/80/06/519948006.db2.gz MODXRRXSSPPWCK-MRXNPFEDSA-N 1 0 267.388 3.929 10 0 CHAERO CC[NH2+]C[C@H](C(C)C)N(C)C1CCC(CC)CC1 ZINC000052345510 519957872 /nfs/dbraw/zinc/95/78/72/519957872.db2.gz KAGMGHLNGXQMJO-UYSNPLJNSA-N 1 0 254.462 3.521 10 0 CHAERO CC[NH2+]C[C@H](CCC(C)C)Cc1cccc(OC)c1 ZINC000052978377 519971514 /nfs/dbraw/zinc/97/15/14/519971514.db2.gz QJPQTMHXSKTSMQ-MRXNPFEDSA-N 1 0 263.425 3.900 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccccc2OC)nc1C ZINC000052330528 519973700 /nfs/dbraw/zinc/97/37/00/519973700.db2.gz ZCOPMJFIALLPOE-UHFFFAOYSA-N 1 0 276.405 3.627 10 0 CHAERO CCC[NH2+][C@@H](C)c1ccc(OCCCOC)c(Cl)c1 ZINC000061699469 519988322 /nfs/dbraw/zinc/98/83/22/519988322.db2.gz VIIPUIDUYKRMPI-LBPRGKRZSA-N 1 0 285.815 3.816 10 0 CHAERO CCC[NH2+][C@@H](c1cncc(F)c1)C1CCCCC1 ZINC000049576417 520019816 /nfs/dbraw/zinc/01/98/16/520019816.db2.gz UGBAHKRYECDPRN-OAHLLOKOSA-N 1 0 250.361 3.842 10 0 CHAERO CCC[NH2+][C@@H](c1sccc1C)[C@H]1CCCCO1 ZINC000050963058 520020075 /nfs/dbraw/zinc/02/00/75/520020075.db2.gz HIRWCBBRYZDZDT-CHWSQXEVSA-N 1 0 253.411 3.666 10 0 CHAERO CCC[NH2+][C@H](C)c1c(C)nn(C[C@@H](C)CCC)c1C ZINC000054718425 520064005 /nfs/dbraw/zinc/06/40/05/520064005.db2.gz DQROHIKKSXLLAX-QWHCGFSZSA-N 1 0 265.445 3.997 10 0 CHAERO CC[NH2+][C@@H](Cc1csc(C)n1)c1cccc(Cl)c1 ZINC000055295665 520106337 /nfs/dbraw/zinc/10/63/37/520106337.db2.gz JDZSQNCABDNXSL-AWEZNQCLSA-N 1 0 280.824 3.998 10 0 CHAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC000050961921 520110636 /nfs/dbraw/zinc/11/06/36/520110636.db2.gz WYQLKIZQVIFHRG-KGLIPLIRSA-N 1 0 253.773 3.560 10 0 CHAERO CCCCCN(C)c1ncc([C@H](C)[NH2+]CCC)s1 ZINC000054903083 520154444 /nfs/dbraw/zinc/15/44/44/520154444.db2.gz PSNJVDQXAPTWLK-LBPRGKRZSA-N 1 0 269.458 3.830 10 0 CHAERO CC[NH2+][C@H](C)Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000062770487 520173385 /nfs/dbraw/zinc/17/33/85/520173385.db2.gz UWKIGUVUUHZNAP-GFCCVEGCSA-N 1 0 261.340 3.935 10 0 CHAERO CC[NH2+][C@H](C)Cc1ccc(-c2cc(F)ccc2F)o1 ZINC000062770782 520174648 /nfs/dbraw/zinc/17/46/48/520174648.db2.gz SEGYZGKDJSMMJW-SNVBAGLBSA-N 1 0 265.303 3.765 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(OC[C@H](C)CC)c(OC)c1 ZINC000050423767 520179982 /nfs/dbraw/zinc/17/99/82/520179982.db2.gz DIKQNRTXZGIIHL-CHWSQXEVSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1ccc(CC)cc1 ZINC000055268658 520203584 /nfs/dbraw/zinc/20/35/84/520203584.db2.gz JMNCZBNFZQMYIL-OAHLLOKOSA-N 1 0 274.433 3.907 10 0 CHAERO CC[NH2+][C@H]1CCCCC[C@H]1Oc1cccc(F)c1F ZINC000062613302 520214540 /nfs/dbraw/zinc/21/45/40/520214540.db2.gz ROHQSOGAJSVTCB-QWHCGFSZSA-N 1 0 269.335 3.654 10 0 CHAERO CCCOc1ccc(-c2nc(C)c([C@H](C)[NH3+])s2)cc1 ZINC000052919524 520316628 /nfs/dbraw/zinc/31/66/28/520316628.db2.gz ODORCKZVQWVMKS-JTQLQIEISA-N 1 0 276.405 3.927 10 0 CHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1cccnc1 ZINC000126156509 520414339 /nfs/dbraw/zinc/41/43/39/520414339.db2.gz XXYXCWSXFGSRRI-KRWDZBQOSA-N 1 0 266.388 3.885 10 0 CHAERO CCCOc1ccc([C@@H]([NH3+])c2ccccc2C)cc1 ZINC000055263564 520417345 /nfs/dbraw/zinc/41/73/45/520417345.db2.gz AVMCJFFJBCKLNG-QGZVFWFLSA-N 1 0 255.361 3.832 10 0 CHAERO CCCOc1ccc([C@H]([NH3+])c2cccc(F)c2)cc1 ZINC000055263392 520429992 /nfs/dbraw/zinc/42/99/92/520429992.db2.gz FWGPQQHUTMPIQY-INIZCTEOSA-N 1 0 259.324 3.663 10 0 CHAERO CC1(C)CN(CCc2ccccc2)c2ccccc2C[NH2+]1 ZINC000062671266 520472707 /nfs/dbraw/zinc/47/27/07/520472707.db2.gz ZBFVTVVBHOWSJM-UHFFFAOYSA-N 1 0 280.415 3.618 10 0 CHAERO CCC[C@@H]([NH3+])c1nc2c(s1)CCc1sccc1-2 ZINC000061326040 520726339 /nfs/dbraw/zinc/72/63/39/520726339.db2.gz USYQXXMGXUOQIO-SECBINFHSA-N 1 0 264.419 3.770 10 0 CHAERO CC[NH+](CC)c1ccc(NCc2nc(C)cs2)cc1 ZINC000058505372 520918937 /nfs/dbraw/zinc/91/89/37/520918937.db2.gz JGAOTZDKTNMNLS-UHFFFAOYSA-N 1 0 275.421 3.910 10 0 CHAERO CCCC[C@@H](CC)C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000054665381 521037526 /nfs/dbraw/zinc/03/75/26/521037526.db2.gz JVJIMKDLWSDQSX-ZBFHGGJFSA-N 1 0 253.430 3.752 10 0 CHAERO CCCC[C@@H](CC)c1nnc([C@@H](CC)[NH2+]CC)o1 ZINC000061512732 521039597 /nfs/dbraw/zinc/03/95/97/521039597.db2.gz PIGJRXBAJVBJRJ-VXGBXAGGSA-N 1 0 253.390 3.814 10 0 CHAERO CCN(CCC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000050954283 521042343 /nfs/dbraw/zinc/04/23/43/521042343.db2.gz JCUZHGPTGWAXJY-OAHLLOKOSA-N 1 0 264.388 3.574 10 0 CHAERO CCC[C@H](COc1ccc(C)cc1Cl)[NH2+]CC ZINC000054350324 521102631 /nfs/dbraw/zinc/10/26/31/521102631.db2.gz NEEAIDAKLWOAHT-GFCCVEGCSA-N 1 0 255.789 3.805 10 0 CHAERO CCC(C)(C)[C@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000054402491 521364018 /nfs/dbraw/zinc/36/40/18/521364018.db2.gz SJTAPCDJBSBCLC-CYBMUJFWSA-N 1 0 269.772 3.547 10 0 CHAERO CCOc1cccc(O[C@@H]([C@@H]([NH3+])CC)C(C)(C)C)c1 ZINC000051845536 521404733 /nfs/dbraw/zinc/40/47/33/521404733.db2.gz DYORLFRFNFXZSI-GJZGRUSLSA-N 1 0 265.397 3.616 10 0 CHAERO CCCc1ccc([C@@]2([NH3+])CCc3ccccc32)cc1 ZINC000055241753 521416709 /nfs/dbraw/zinc/41/67/09/521416709.db2.gz WPEJIXQSWDDWEI-SFHVURJKSA-N 1 0 251.373 3.788 10 0 CHAERO CCCc1ccc([C@H](Cc2ccncc2)[NH2+]C)cc1 ZINC000055242155 521418726 /nfs/dbraw/zinc/41/87/26/521418726.db2.gz LCAGDFWBUXYJIN-KRWDZBQOSA-N 1 0 254.377 3.537 10 0 CHAERO CCN(c1ccc(Cl)cc1C[NH3+])C1CCCCC1 ZINC000052856567 521489049 /nfs/dbraw/zinc/48/90/49/521489049.db2.gz SBXSAOBCPLDINN-UHFFFAOYSA-N 1 0 266.816 3.958 10 0 CHAERO CCOc1ccccc1[C@@](C)([NH3+])c1cccc(Cl)c1 ZINC000055239984 521581170 /nfs/dbraw/zinc/58/11/70/521581170.db2.gz QOWWVWAOQROBFO-INIZCTEOSA-N 1 0 275.779 3.961 10 0 CHAERO CCCN(CC1CC1)[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052514322 521626697 /nfs/dbraw/zinc/62/66/97/521626697.db2.gz HCHFWAMYMIZERI-HNNXBMFYSA-N 1 0 254.462 3.521 10 0 CHAERO CCc1cccc(Oc2cc(Cl)ccc2C(N)=[NH2+])c1 ZINC000062789117 521782181 /nfs/dbraw/zinc/78/21/81/521782181.db2.gz ZAZWQRFHNMSBIQ-UHFFFAOYSA-N 1 0 274.751 3.979 10 0 CHAERO CC[C@@H](C)C[C@](CC)(C[NH3+])N1Cc2ccccc2C1 ZINC000050910691 522027187 /nfs/dbraw/zinc/02/71/87/522027187.db2.gz SPTWBYOMVXNMBS-RHSMWYFYSA-N 1 0 260.425 3.546 10 0 CHAERO C[NH2+]Cc1cc(F)c(Oc2cccc(F)c2)c(F)c1 ZINC000062720585 522115349 /nfs/dbraw/zinc/11/53/49/522115349.db2.gz RSXBVXZIQLDVRS-UHFFFAOYSA-N 1 0 267.250 3.616 10 0 CHAERO C[NH2+]Cc1ccc(COc2cc(C)ccc2C)cc1 ZINC000052665688 522116822 /nfs/dbraw/zinc/11/68/22/522116822.db2.gz RKWHGQBZABJHLO-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO CC[C@@H](C)[NH2+]CCOc1c(C)cc(Cl)cc1C ZINC000050499414 522228012 /nfs/dbraw/zinc/22/80/12/522228012.db2.gz RWIBNEGMBDEDBJ-GFCCVEGCSA-N 1 0 255.789 3.724 10 0 CHAERO CC[C@@H](C)[NH2+]CCC(=O)c1ccc2c(c1)CCCC2 ZINC000049848011 522229333 /nfs/dbraw/zinc/22/93/33/522229333.db2.gz KWJLLJKTPGXMQU-CYBMUJFWSA-N 1 0 259.393 3.526 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(Cl)s1)Cc1ccccc1F ZINC000060696756 522359284 /nfs/dbraw/zinc/35/92/84/522359284.db2.gz NYBQCNBRTVCAOP-LLVKDONJSA-N 1 0 283.799 3.914 10 0 CHAERO CCc1nc(COc2ccccc2[C@H]([NH3+])CC)cs1 ZINC000049268415 522366920 /nfs/dbraw/zinc/36/69/20/522366920.db2.gz VLMXVZSNKDALDN-CYBMUJFWSA-N 1 0 276.405 3.694 10 0 CHAERO C[NH2+][C@@H]1CCCCC[C@H]1c1cccc2cnccc21 ZINC000061124728 522378593 /nfs/dbraw/zinc/37/85/93/522378593.db2.gz GBRSZMPGSDYIBN-DLBZAZTESA-N 1 0 254.377 3.871 10 0 CHAERO C[NH2+][C@H](Cc1cccs1)c1cccc2cnccc21 ZINC000061124499 522475820 /nfs/dbraw/zinc/47/58/20/522475820.db2.gz FYEBMMVJFDAYEH-MRXNPFEDSA-N 1 0 268.385 3.800 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc2c(c1)CCO2 ZINC000050892139 522479913 /nfs/dbraw/zinc/47/99/13/522479913.db2.gz IDHJPBZNZUEVSA-AWEZNQCLSA-N 1 0 279.792 3.645 10 0 CHAERO C[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231490 522489579 /nfs/dbraw/zinc/48/95/79/522489579.db2.gz APOWJCFUARJCLP-STQMWFEESA-N 1 0 257.299 3.951 10 0 CHAERO C[NH2+][C@H]1CCCc2nc(C3CCCCC3)sc21 ZINC000050330067 522498622 /nfs/dbraw/zinc/49/86/22/522498622.db2.gz VALINOAUQBLTCO-NSHDSACASA-N 1 0 250.411 3.788 10 0 CHAERO C[NH2+][C@H]1CCC[C@@H]1CCOc1cccc(Br)c1 ZINC000049597072 522499137 /nfs/dbraw/zinc/49/91/37/522499137.db2.gz AJNLEOXDIYQNNN-RISCZKNCSA-N 1 0 298.224 3.606 10 0 CHAERO CNc1cc(C(C)(C)C)[nH+]c2cc(F)cc(F)c12 ZINC000050868753 522562022 /nfs/dbraw/zinc/56/20/22/522562022.db2.gz LMDKKBSZTRWQDQ-UHFFFAOYSA-N 1 0 250.292 3.852 10 0 CHAERO CC[C@@H](N)[C@H](c1ccc(C)s1)[NH+]1CCC(C)(C)CC1 ZINC000061818356 522654032 /nfs/dbraw/zinc/65/40/32/522654032.db2.gz RARGXZLIJZWFIY-UKRRQHHQSA-N 1 0 280.481 3.957 10 0 CHAERO CN(CC1CCCCC1)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860128 522656918 /nfs/dbraw/zinc/65/69/18/522656918.db2.gz LRMZUFIIYLJXPO-UHFFFAOYSA-N 1 0 279.815 3.641 10 0 CHAERO CC[C@@H](c1cccs1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000049531892 523107385 /nfs/dbraw/zinc/10/73/85/523107385.db2.gz UCUYAJPAKVJJNI-AWEZNQCLSA-N 1 0 258.390 3.797 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](OCC2CCCCC2)C1 ZINC000052152029 523353513 /nfs/dbraw/zinc/35/35/13/523353513.db2.gz YZQMARXRCJWPCQ-FVQBIDKESA-N 1 0 253.430 3.750 10 0 CHAERO CCn1cccc1C[NH2+]Cc1cc(Br)cs1 ZINC000085609779 523501823 /nfs/dbraw/zinc/50/18/23/523501823.db2.gz HWQLQAKPDGISQC-UHFFFAOYSA-N 1 0 299.237 3.622 10 0 CHAERO CC[C@@](C[NH3+])(CCc1scnc1C)c1ccccc1 ZINC000054636809 523682593 /nfs/dbraw/zinc/68/25/93/523682593.db2.gz QYBDWUKHUOZNJY-INIZCTEOSA-N 1 0 274.433 3.691 10 0 CHAERO CC[C@H](C)[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705195 523961537 /nfs/dbraw/zinc/96/15/37/523961537.db2.gz PZGAUSZSXVBCPO-WDSOQIARSA-N 1 0 288.479 3.716 10 0 CHAERO CC[C@H](C)[NH2+]CCC(=O)c1c(C)c(C)cc(C)c1C ZINC000049849771 524003820 /nfs/dbraw/zinc/00/38/20/524003820.db2.gz GXRSPLRDKWPMQR-ZDUSSCGKSA-N 1 0 261.409 3.881 10 0 CHAERO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157000646 524027704 /nfs/dbraw/zinc/02/77/04/524027704.db2.gz QOSXNEZHNGWDNJ-CQSZACIVSA-N 1 0 288.416 3.531 10 0 CHAERO CCc1ccc([C@@](C)([NH3+])c2ccc(F)c(C)c2)cc1 ZINC000055198570 524041401 /nfs/dbraw/zinc/04/14/01/524041401.db2.gz IIMUEZFDTPBBFQ-QGZVFWFLSA-N 1 0 257.352 3.919 10 0 CHAERO CCc1ccc([C@H]2CC[NH2+][C@@H]2Cc2ccccc2)o1 ZINC000054686906 524055389 /nfs/dbraw/zinc/05/53/89/524055389.db2.gz AYRPIPJOGFGQQV-JKSUJKDBSA-N 1 0 255.361 3.530 10 0 CHAERO C[C@@H]1CCCC[C@@H]1N(C)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788933 524131938 /nfs/dbraw/zinc/13/19/38/524131938.db2.gz BBLCQFOBKSBZKQ-MFKMUULPSA-N 1 0 279.815 3.639 10 0 CHAERO C[C@H]1CCC[C@@]([NH3+])(Cc2c(F)cccc2Cl)C1 ZINC000049346422 524172812 /nfs/dbraw/zinc/17/28/12/524172812.db2.gz NAUPBKJRNJRIDC-HZMBPMFUSA-N 1 0 255.764 3.929 10 0 CHAERO Cc1ccc(C)c([C@@H]([NH3+])c2nc(C(C)C)cs2)c1 ZINC000049670978 524204499 /nfs/dbraw/zinc/20/44/99/524204499.db2.gz DZUMLJDYUQXHLY-CQSZACIVSA-N 1 0 260.406 3.931 10 0 CHAERO C[C@@H]1CCC[C@@H]([N@@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000062666575 524302719 /nfs/dbraw/zinc/30/27/19/524302719.db2.gz NLEJSRFQDHZAFS-NXHRZFHOSA-N 1 0 272.436 3.602 10 0 CHAERO C[C@H](C[NH2+]C(C)(C)C)N(C)Cc1cccc(Cl)c1 ZINC000052507932 524478731 /nfs/dbraw/zinc/47/87/31/524478731.db2.gz MUSYSDWPUKADJV-GFCCVEGCSA-N 1 0 268.832 3.548 10 0 CHAERO C[C@H](C[NH2+]C1CC1)Cc1ccc(Cl)cc1Cl ZINC000052966460 524479956 /nfs/dbraw/zinc/47/99/56/524479956.db2.gz ZANDPSYUKURASO-VIFPVBQESA-N 1 0 258.192 3.924 10 0 CHAERO C[C@H](C[NH2+]C1CCCC1)Sc1cc(F)ccc1F ZINC000053622275 524482848 /nfs/dbraw/zinc/48/28/48/524482848.db2.gz LPINOEJHGGCMGL-SNVBAGLBSA-N 1 0 271.376 3.978 10 0 CHAERO Cc1ccc(COc2cc(F)ccc2[C@@H](C)[NH3+])cc1 ZINC000062745872 524626950 /nfs/dbraw/zinc/62/69/50/524626950.db2.gz XWMVIYVKLYLFDQ-GFCCVEGCSA-N 1 0 259.324 3.733 10 0 CHAERO COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000281644714 524721673 /nfs/dbraw/zinc/72/16/73/524721673.db2.gz PERAOEFCRFRVSR-LXTVHRRPSA-N 1 0 277.408 3.549 10 0 CHAERO C[C@@H](C[NH2+]C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000052966525 524736503 /nfs/dbraw/zinc/73/65/03/524736503.db2.gz VPLUOVDPOGTFLI-SECBINFHSA-N 1 0 258.192 3.924 10 0 CHAERO Cc1cc(C[NH2+]C(C)(C)C)cc(C)c1OCC1CC1 ZINC000062728507 524750513 /nfs/dbraw/zinc/75/05/13/524750513.db2.gz PKCQXLTXTRQKAL-UHFFFAOYSA-N 1 0 261.409 3.980 10 0 CHAERO COc1ccccc1[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000281644717 524778953 /nfs/dbraw/zinc/77/89/53/524778953.db2.gz PERAOEFCRFRVSR-MCIONIFRSA-N 1 0 277.408 3.549 10 0 CHAERO Cc1ccc(F)cc1[C@H]([NH3+])c1cccc(Br)c1 ZINC000055205854 524874746 /nfs/dbraw/zinc/87/47/46/524874746.db2.gz BOLVBMCNKMVBAC-CQSZACIVSA-N 1 0 294.167 3.945 10 0 CHAERO Cc1ccc(N2CC[C@@H](C[NH2+]C(C)(C)C)C2)c(C)c1 ZINC000053012616 524970100 /nfs/dbraw/zinc/97/01/00/524970100.db2.gz VTMHTOSPEFBQKX-HNNXBMFYSA-N 1 0 260.425 3.518 10 0 CHAERO Cc1ccc(N2CC[C@H](C[NH2+]C(C)(C)C)C2)c(C)c1 ZINC000053012615 524974898 /nfs/dbraw/zinc/97/48/98/524974898.db2.gz VTMHTOSPEFBQKX-OAHLLOKOSA-N 1 0 260.425 3.518 10 0 CHAERO C[C@H]1Cc2cc(C[NH2+]C3CCCCCC3)ccc2O1 ZINC000052878336 524980486 /nfs/dbraw/zinc/98/04/86/524980486.db2.gz NRZGNCAYXSYFET-ZDUSSCGKSA-N 1 0 259.393 3.822 10 0 CHAERO Cc1cc(F)ccc1[C@@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000050580381 525004711 /nfs/dbraw/zinc/00/47/11/525004711.db2.gz KBQOMKQHZZCFSZ-CQSZACIVSA-N 1 0 276.380 3.518 10 0 CHAERO Cc1cc(F)ccc1[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792173 525007607 /nfs/dbraw/zinc/00/76/07/525007607.db2.gz XGQROPIGUHJLJG-CQSZACIVSA-N 1 0 267.706 3.975 10 0 CHAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1c(Cl)cccc1Cl ZINC000063191798 525008909 /nfs/dbraw/zinc/00/89/09/525008909.db2.gz MVKNLWUCDVQTNY-YGRLFVJLSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1cccc(F)c1F ZINC000062615633 525023907 /nfs/dbraw/zinc/02/39/07/525023907.db2.gz JTWRIEILMWXFTC-MRVPVSSYSA-N 1 0 267.250 3.916 10 0 CHAERO C[C@H](NC1=[NH+]C(C)(C)CS1)c1ccc(Cl)cc1 ZINC000049526546 525285394 /nfs/dbraw/zinc/28/53/94/525285394.db2.gz HGSWWCOIVCZBMV-VIFPVBQESA-N 1 0 268.813 3.872 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccnn1C(C)C ZINC000279856100 525417222 /nfs/dbraw/zinc/41/72/22/525417222.db2.gz IRBJIXZWCYEALV-AWEZNQCLSA-N 1 0 257.381 3.623 10 0 CHAERO Cc1cc([C@H](C[NH3+])N(C)c2ccccc2)c(C)s1 ZINC000049687183 525536908 /nfs/dbraw/zinc/53/69/08/525536908.db2.gz YMSCXDIEQYHVNO-HNNXBMFYSA-N 1 0 260.406 3.501 10 0 CHAERO Cc1cccnc1[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055227035 525545870 /nfs/dbraw/zinc/54/58/70/525545870.db2.gz MUTXFPLBGJLKOF-LBPRGKRZSA-N 1 0 267.159 3.745 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Br)s1 ZINC000052275050 525588514 /nfs/dbraw/zinc/58/85/14/525588514.db2.gz SFAIBOSCCGIIEC-GJMOJQLCSA-N 1 0 260.200 3.570 10 0 CHAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccsc1 ZINC000050338860 525626578 /nfs/dbraw/zinc/62/65/78/525626578.db2.gz PBWJYGLMXYIGRV-CJNGLKHVSA-N 1 0 274.433 3.702 10 0 CHAERO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1ccncc1 ZINC000156721397 525663468 /nfs/dbraw/zinc/66/34/68/525663468.db2.gz SHHPBHCSTPTKMG-HUUCEWRRSA-N 1 0 292.386 3.679 10 0 CHAERO C[C@@H](Nc1cc[nH+]cc1N)c1cccc(Br)c1 ZINC000049564053 525723716 /nfs/dbraw/zinc/72/37/16/525723716.db2.gz LCKWQIMIWQSCFK-SECBINFHSA-N 1 0 292.180 3.599 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2C(C)C)c(C)c1 ZINC000279813201 525931237 /nfs/dbraw/zinc/93/12/37/525931237.db2.gz FVGXWEFMNDYJGP-HNNXBMFYSA-N 1 0 271.408 3.932 10 0 CHAERO CSc1ccc(N2CC[C@@H](C[NH2+]C(C)(C)C)C2)cc1 ZINC000053011531 526022331 /nfs/dbraw/zinc/02/23/31/526022331.db2.gz CYPMXGLKJAWKIR-ZDUSSCGKSA-N 1 0 278.465 3.623 10 0 CHAERO Fc1c(Cl)cccc1-c1nc(C[NH2+]C2CC2)cs1 ZINC000062606530 526292488 /nfs/dbraw/zinc/29/24/88/526292488.db2.gz GAZJBODIBKBHQD-UHFFFAOYSA-N 1 0 282.771 3.855 10 0 CHAERO Cc1nc(-c2c(F)cccc2Cl)sc1[C@H](C)[NH3+] ZINC000052903451 526559773 /nfs/dbraw/zinc/55/97/73/526559773.db2.gz KNRYKPHBGVAJKS-LURJTMIESA-N 1 0 270.760 3.931 10 0 CHAERO c1csc(CN(CC[NH2+]C2CCCCC2)C2CC2)c1 ZINC000053342784 526578654 /nfs/dbraw/zinc/57/86/54/526578654.db2.gz PKZLQZQMBMLDBT-UHFFFAOYSA-N 1 0 278.465 3.635 10 0 CHAERO Cc1nc(-c2ccccc2F)sc1C[NH2+]C1CC1 ZINC000052330870 526607122 /nfs/dbraw/zinc/60/71/22/526607122.db2.gz UIYBOPJJEQZVMO-UHFFFAOYSA-N 1 0 262.353 3.510 10 0 CHAERO Cc1nocc1C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000293224276 526696760 /nfs/dbraw/zinc/69/67/60/526696760.db2.gz KFYXQIYOOYQBJD-BDJLRTHQSA-N 1 0 256.349 3.711 10 0 CHAERO Cc1oc(C[NH3+])cc1CO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629368 526771760 /nfs/dbraw/zinc/77/17/60/526771760.db2.gz GEUPZYPENLXKMT-FZMZJTMJSA-N 1 0 265.397 3.778 10 0 CHAERO Cc1oc(C[NH3+])cc1CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629367 526772116 /nfs/dbraw/zinc/77/21/16/526772116.db2.gz GEUPZYPENLXKMT-SMDDNHRTSA-N 1 0 265.397 3.778 10 0 CHAERO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3C)C2)no1 ZINC000127656354 526923475 /nfs/dbraw/zinc/92/34/75/526923475.db2.gz QQCRIADLQLSSBA-GOEBONIOSA-N 1 0 299.418 3.702 10 0 CHAERO Clc1ccc(COCC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000051917892 526949782 /nfs/dbraw/zinc/94/97/82/526949782.db2.gz BBCQHIOGUXYTCE-NSHDSACASA-N 1 0 288.218 3.900 10 0 CHAERO [NH3+]C[C@@H](Nc1ccccc1F)c1c(F)cccc1Cl ZINC000057590827 527206116 /nfs/dbraw/zinc/20/61/16/527206116.db2.gz RXIWRIGVKDWPLC-CYBMUJFWSA-N 1 0 282.721 3.730 10 0 CHAERO [NH3+]C[C@H](Cc1cccs1)Cc1cccc(Cl)c1 ZINC000052947998 527226873 /nfs/dbraw/zinc/22/68/73/527226873.db2.gz CEXQNIJWMMPTJT-LBPRGKRZSA-N 1 0 265.809 3.762 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc(F)c(F)c2)c(Cl)c1 ZINC000062793326 527257264 /nfs/dbraw/zinc/25/72/64/527257264.db2.gz PQNNZHATAGFBGI-UHFFFAOYSA-N 1 0 269.678 3.869 10 0 CHAERO [NH3+]Cc1sc2ccccc2c1COCc1ccco1 ZINC000052601905 527268906 /nfs/dbraw/zinc/26/89/06/527268906.db2.gz CYQNFAPBZNZCRX-UHFFFAOYSA-N 1 0 273.357 3.670 10 0 CHAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc4ccccc4s3)C2)cn1 ZINC000128398034 527300856 /nfs/dbraw/zinc/30/08/56/527300856.db2.gz YOXNNWGKOQINQB-CQSZACIVSA-N 1 0 297.427 3.624 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1cccc(Cl)c1Cl ZINC000054686372 527337119 /nfs/dbraw/zinc/33/71/19/527337119.db2.gz PITLUGLKMYYGRX-DZGCQCFKSA-N 1 0 296.197 3.597 10 0 CHAERO [NH3+][C@@H](c1ccsc1)c1ccccc1C(F)(F)F ZINC000055233791 527338792 /nfs/dbraw/zinc/33/87/92/527338792.db2.gz QQVBKLILYWKBIC-NSHDSACASA-N 1 0 257.280 3.815 10 0 CHAERO [NH3+][C@@H]1CCCC[C@H]1CCOc1cccc(Br)c1 ZINC000049597121 527344267 /nfs/dbraw/zinc/34/42/67/527344267.db2.gz JQZDLUVXPLPGEN-SMDDNHRTSA-N 1 0 298.224 3.736 10 0 CHAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccc(Cl)cc1Cl ZINC000054685529 527389474 /nfs/dbraw/zinc/38/94/74/527389474.db2.gz HELVFKLVPRCWJL-HUUCEWRRSA-N 1 0 296.197 3.597 10 0 CHAERO [NH3+][C@H](c1ccccc1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054682004 527391888 /nfs/dbraw/zinc/39/18/88/527391888.db2.gz XCSGDKTTZXDNCM-ZIAGYGMSSA-N 1 0 282.170 3.727 10 0 CHAERO [NH3+][C@H](c1ccccc1)c1ccccc1OC(F)(F)F ZINC000055206058 527392147 /nfs/dbraw/zinc/39/21/47/527392147.db2.gz JPQLKGFRFAHSKP-CYBMUJFWSA-N 1 0 267.250 3.633 10 0 CHAERO [NH3+][C@H](c1cccc(Cl)c1)c1ccc2ncccc2c1 ZINC000062802095 527392999 /nfs/dbraw/zinc/39/29/99/527392999.db2.gz KPXZDOCRRJWXQX-MRXNPFEDSA-N 1 0 268.747 3.936 10 0 CHAERO Nc1[nH+]c2cccc(Cl)c2n1C(C1CC1)C1CC1 ZINC000049236320 527561152 /nfs/dbraw/zinc/56/11/52/527561152.db2.gz XUFJMPBDCOJOKW-UHFFFAOYSA-N 1 0 261.756 3.633 10 0 CHAERO CCC[C@@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000083821555 567026714 /nfs/dbraw/zinc/02/67/14/567026714.db2.gz YVXKNKVFMFXMMX-SNVBAGLBSA-N 1 0 268.154 3.995 10 0 CHAERO CCC[n+]1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 ZINC000226773855 567040523 /nfs/dbraw/zinc/04/05/23/567040523.db2.gz JZVIRWJIAKIHNI-UHFFFAOYSA-O 1 0 286.786 3.889 10 0 CHAERO C[C@H](CC(F)(F)F)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328630222 567120728 /nfs/dbraw/zinc/12/07/28/567120728.db2.gz PPTFFKDWQQNEEZ-MRVWCRGKSA-N 1 0 287.325 3.695 10 0 CHAERO [NH3+][C@H](CC1CC1)c1cc2cccc(Br)c2o1 ZINC000163308740 567211518 /nfs/dbraw/zinc/21/15/18/567211518.db2.gz XJKDXBBREBMCCB-LLVKDONJSA-N 1 0 280.165 3.995 10 0 CHAERO CCOc1ccc(C[NH2+][C@@H](C)CC)cc1Br ZINC000010474915 567861831 /nfs/dbraw/zinc/86/18/31/567861831.db2.gz HDUOGYYCQXDHAN-JTQLQIEISA-N 1 0 286.213 3.736 10 0 CHAERO CCOc1ccc(C[NH2+]CCCOC(C)C)cc1Cl ZINC000013722111 567867389 /nfs/dbraw/zinc/86/73/89/567867389.db2.gz GPUYORWOTBBGSF-UHFFFAOYSA-N 1 0 285.815 3.643 10 0 CHAERO C[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000019777249 567879212 /nfs/dbraw/zinc/87/92/12/567879212.db2.gz ZGWYNCNWEWROBX-UHFFFAOYSA-N 1 0 261.752 3.638 10 0 CHAERO [NH3+][C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000019968764 567880610 /nfs/dbraw/zinc/88/06/10/567880610.db2.gz RMRLJURMVRQWOM-QMMMGPOBSA-N 1 0 257.177 3.658 10 0 CHAERO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OC(C)C ZINC000034652027 567888831 /nfs/dbraw/zinc/88/88/31/567888831.db2.gz LRJVHUMXSAPNDK-UHFFFAOYSA-N 1 0 271.788 3.634 10 0 CHAERO CC[NH2+][C@H](c1cc(F)c(Br)cc1F)C1CC1 ZINC000070022811 567901443 /nfs/dbraw/zinc/90/14/43/567901443.db2.gz ZKRYRAIYLWSURV-LBPRGKRZSA-N 1 0 290.151 3.788 10 0 CHAERO Cc1cccc(COc2ccccc2C[NH2+]C2CC2)c1 ZINC000032115712 567955710 /nfs/dbraw/zinc/95/57/10/567955710.db2.gz DKFBZLBUBYABDO-UHFFFAOYSA-N 1 0 267.372 3.826 10 0 CHAERO Brc1ccc([C@@H]2C[NH2+]CC23CCCC3)cc1 ZINC000217243542 570306764 /nfs/dbraw/zinc/30/67/64/570306764.db2.gz UKRWMPBZCHEKHM-ZDUSSCGKSA-N 1 0 280.209 3.696 10 0 CHAERO CC[C@@]1(Cc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000091445320 570371413 /nfs/dbraw/zinc/37/14/13/570371413.db2.gz IBWJRYLFGMWDEW-ZDUSSCGKSA-N 1 0 257.299 3.780 10 0 CHAERO C[C@@H]1CCC[N@@H+](C2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685961523 570406852 /nfs/dbraw/zinc/40/68/52/570406852.db2.gz SLWUQPMHORFBJH-CQSZACIVSA-N 1 0 296.455 3.508 10 0 CHAERO COCCCCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000103227795 1123783365 /nfs/dbraw/zinc/78/33/65/1123783365.db2.gz SVBJGCXNLMAZNV-UHFFFAOYSA-N 1 0 279.424 3.561 10 0 CHAERO c1csc([C@H]2CCC[N@@H+](CC3CCCC3)C2)n1 ZINC000195442266 1125562272 /nfs/dbraw/zinc/56/22/72/1125562272.db2.gz OORAEWVRXWOOBT-ZDUSSCGKSA-N 1 0 250.411 3.513 10 0 CHAERO c1ccc2c(c1)CCC[C@@H]2[C@@H]1CCC[N@H+]1Cc1cncnc1 ZINC000361155935 1127543225 /nfs/dbraw/zinc/54/32/25/1127543225.db2.gz YBKZLZWYWZKOBJ-OALUTQOASA-N 1 0 293.414 3.561 10 0 CHAERO Cc1nnc([C@@H]([NH2+][C@H]2CCC23CCCC3)c2ccccc2)[nH]1 ZINC000189108528 1120474092 /nfs/dbraw/zinc/47/40/92/1120474092.db2.gz PBOMRFGYESQBBH-HOTGVXAUSA-N 1 0 296.418 3.515 10 0 CHAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cn1 ZINC000191662535 1123179064 /nfs/dbraw/zinc/17/90/64/1123179064.db2.gz AIXXXHHLMQOLGP-MRXNPFEDSA-N 1 0 299.418 3.511 10 0 CHAERO c1c[n+](C[C@H]2CCC3(CCCCC3)O2)cc2c1CCCC2 ZINC000191698681 1125328880 /nfs/dbraw/zinc/32/88/80/1125328880.db2.gz POXLBNJKRCFOFC-GOSISDBHSA-N 1 0 286.439 3.735 10 0 CHAERO CC(C)=CCC[C@@H](C)CC[NH+]1CCC(n2cncn2)CC1 ZINC000192621075 1125333472 /nfs/dbraw/zinc/33/34/72/1125333472.db2.gz GBTZUYYHVFPSIG-MRXNPFEDSA-N 1 0 290.455 3.688 10 0 CHAERO CC(C)c1nc(-c2cccnc2)sc1C[NH2+]C1CC1 ZINC000082429810 178007243 /nfs/dbraw/zinc/00/72/43/178007243.db2.gz XHNHQBQBPRVDCN-UHFFFAOYSA-N 1 0 273.405 3.581 10 0 CHAERO CC(C)[NH2+]Cc1sc(-c2cccnc2)nc1C(C)C ZINC000082429808 178007264 /nfs/dbraw/zinc/00/72/64/178007264.db2.gz PUVOVSMFHUFBSX-UHFFFAOYSA-N 1 0 275.421 3.827 10 0 CHAERO CCC[NH2+]Cc1sc([C@@H]2CCCO2)nc1C(C)C ZINC000082430616 178008146 /nfs/dbraw/zinc/00/81/46/178008146.db2.gz FCLPBADUWNBMIW-NSHDSACASA-N 1 0 268.426 3.618 10 0 CHAERO CC(C)[NH2+]Cc1sc([C@@H]2CCCO2)nc1C(C)(C)C ZINC000082440110 178018285 /nfs/dbraw/zinc/01/82/85/178018285.db2.gz LFZMZIZJKKBYBS-NSHDSACASA-N 1 0 282.453 3.790 10 0 CHAERO CC[NH2+][C@@H]1CC2(CCCCC2)Oc2cc(OC)ccc21 ZINC000082509155 178075251 /nfs/dbraw/zinc/07/52/51/178075251.db2.gz XIPOYAXBDGSEBC-OAHLLOKOSA-N 1 0 275.392 3.831 10 0 CHAERO Fc1ccccc1C[NH2+]CCCSC(F)(F)F ZINC000095918304 185030674 /nfs/dbraw/zinc/03/06/74/185030674.db2.gz HTBDQQJDKMOJCQ-UHFFFAOYSA-N 1 0 267.291 3.558 10 0 CHAERO [NH3+]CC1(c2ccc(Br)s2)CCCCC1 ZINC000082624735 178139384 /nfs/dbraw/zinc/13/93/84/178139384.db2.gz QURWOUDJFMUBPA-UHFFFAOYSA-N 1 0 274.227 3.671 10 0 CHAERO Cc1cccc(-n2ncc(C[NH2+]C(C)C)c2C(F)(F)F)c1 ZINC000082661606 178148612 /nfs/dbraw/zinc/14/86/12/178148612.db2.gz SUJLHONNIUBRKH-UHFFFAOYSA-N 1 0 297.324 3.698 10 0 CHAERO COc1ccc(-c2cc([C@@H](C)[NH3+])ccc2F)c(F)c1 ZINC000082707325 178216034 /nfs/dbraw/zinc/21/60/34/178216034.db2.gz AUNMCZWNBGXAGI-SECBINFHSA-N 1 0 263.287 3.660 10 0 CHAERO CC(C)(C)c1nn(Cc2ccccc2)c2c1[C@H]([NH3+])CCC2 ZINC000082826353 178323277 /nfs/dbraw/zinc/32/32/77/178323277.db2.gz GTLDIDGDUYWTHP-CQSZACIVSA-N 1 0 283.419 3.565 10 0 CHAERO CC[C@H]([NH3+])c1c(C)cc(C)c(Br)c1C ZINC000083166783 178348281 /nfs/dbraw/zinc/34/82/81/178348281.db2.gz VGIJQCKLDMOJTG-JTQLQIEISA-N 1 0 256.187 3.784 10 0 CHAERO COc1cc(C)c(CC[NH2+]C2CC2)cc1C(C)(C)C ZINC000098130719 185691793 /nfs/dbraw/zinc/69/17/93/185691793.db2.gz RMFWOFWQWUIFRB-UHFFFAOYSA-N 1 0 261.409 3.596 10 0 CHAERO C[NH2+][C@H](Cc1cc(C(C)(C)C)ccc1OC)C(C)C ZINC000098131065 185692364 /nfs/dbraw/zinc/69/23/64/185692364.db2.gz PUNMKRHDPKVKTD-OAHLLOKOSA-N 1 0 263.425 3.779 10 0 CHAERO C[C@H]([NH3+])c1ccccc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000103963194 136553585 /nfs/dbraw/zinc/55/35/85/136553585.db2.gz TXCLBXRYGUAUMP-DZKIICNBSA-N 1 0 258.409 3.865 10 0 CHAERO CCCC1CCN(c2ccc(C[C@@H](C)[NH3+])cc2)CC1 ZINC000104278396 136553955 /nfs/dbraw/zinc/55/39/55/136553955.db2.gz CEUHFKAFEZZQMR-CQSZACIVSA-N 1 0 260.425 3.593 10 0 CHAERO CCc1[nH+]c(-c2cccc(C)c2)c(N)n1CC(C)C ZINC000103501085 185845377 /nfs/dbraw/zinc/84/53/77/185845377.db2.gz MALPZDSOCQLPHJ-UHFFFAOYSA-N 1 0 257.381 3.659 10 0 CHAERO CCCc1[nH+]c(-c2ccc(C(C)C)cc2)c(N)n1C ZINC000103502508 185847151 /nfs/dbraw/zinc/84/71/51/185847151.db2.gz DQHPDEGWZSMNCM-UHFFFAOYSA-N 1 0 257.381 3.745 10 0 CHAERO CCCCCN(c1ccccc1C[C@@H](C)[NH3+])C(C)C ZINC000104272708 185950494 /nfs/dbraw/zinc/95/04/94/185950494.db2.gz YBOYGEKFNKAYNU-OAHLLOKOSA-N 1 0 262.441 3.981 10 0 CHAERO CC[C@H]([NH3+])Cc1cc(F)ccc1SCC(C)C ZINC000104285437 185954792 /nfs/dbraw/zinc/95/47/92/185954792.db2.gz USMXWMQVWBYQGJ-ZDUSSCGKSA-N 1 0 255.402 3.854 10 0 CHAERO CCc1ccccc1Oc1ccc(F)cc1CC[NH3+] ZINC000104284321 185954984 /nfs/dbraw/zinc/95/49/84/185954984.db2.gz JXJWADMIRRBSLY-UHFFFAOYSA-N 1 0 259.324 3.682 10 0 CHAERO [NH3+]CCc1c(Cl)cccc1Oc1cccc(F)c1 ZINC000104289110 185956068 /nfs/dbraw/zinc/95/60/68/185956068.db2.gz OKVTZDPGUQZIGN-UHFFFAOYSA-N 1 0 265.715 3.773 10 0 CHAERO CSc1ccc(O[C@@H](C[NH2+]C(C)C)C(C)C)cc1 ZINC000104337984 185974693 /nfs/dbraw/zinc/97/46/93/185974693.db2.gz HGDVFIMZJUOROU-HNNXBMFYSA-N 1 0 267.438 3.810 10 0 CHAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1cc(C)ccn1 ZINC000104408776 185990559 /nfs/dbraw/zinc/99/05/59/185990559.db2.gz LDRDXKZVMUPJNW-OAHLLOKOSA-N 1 0 260.768 3.742 10 0 CHAERO CCC1(CC)CSC(NCC2(C)CCCC2)=[NH+]1 ZINC000104436469 186001541 /nfs/dbraw/zinc/00/15/41/186001541.db2.gz KQHBMSITBCBJAM-UHFFFAOYSA-N 1 0 254.443 3.818 10 0 CHAERO Clc1ccc(CN2CC[NH2+]CC23CCCCC3)s1 ZINC000085452476 260375428 /nfs/dbraw/zinc/37/54/28/260375428.db2.gz LRKMCYYJKMJBRB-UHFFFAOYSA-N 1 0 284.856 3.510 10 0 CHAERO CC(C)(C)OC(=O)n1cc(CC[NH3+])c2cccc(Cl)c21 ZINC000261507145 190040251 /nfs/dbraw/zinc/04/02/51/190040251.db2.gz FXKKUTUKJYBEMT-UHFFFAOYSA-N 1 0 294.782 3.579 10 0 CHAERO C[NH+]1CCC2(CC1)c1ccccc1Oc1ccccc1C2=O ZINC000039247415 184545028 /nfs/dbraw/zinc/54/50/28/184545028.db2.gz LGKUMVXATBBYTQ-UHFFFAOYSA-N 1 0 293.366 3.639 10 0 CHAERO C[NH2+][C@@H](C)c1cc(F)ccc1-n1nc(C)c(Cl)c1C ZINC000050586969 184565082 /nfs/dbraw/zinc/56/50/82/184565082.db2.gz XGPHAFKNOIXWMR-QMMMGPOBSA-N 1 0 281.762 3.562 10 0 CHAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2csc3ccccc23)cn1 ZINC000171413547 335065305 /nfs/dbraw/zinc/06/53/05/335065305.db2.gz YHEYDLWFPXWPSJ-MRXNPFEDSA-N 1 0 297.427 3.972 10 0 CHAERO CC[C@@H]1CN(c2ccccc2C(C)(C)C)[C@H](C)C[NH2+]1 ZINC000083441449 135021432 /nfs/dbraw/zinc/02/14/32/135021432.db2.gz WWWVMRHPSSUZOF-ZIAGYGMSSA-N 1 0 260.425 3.561 10 0 CHAERO CC[C@@H]1CN(c2cc(Cl)ccc2C)[C@H](CC)C[NH2+]1 ZINC000083493751 135024780 /nfs/dbraw/zinc/02/47/80/135024780.db2.gz FVOGWRHTYCGTTK-ZIAGYGMSSA-N 1 0 266.816 3.615 10 0 CHAERO Cc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c(C)c1 ZINC000083542119 135028605 /nfs/dbraw/zinc/02/86/05/135028605.db2.gz WXAKDWUYPWZBPZ-FUHWJXTLSA-N 1 0 274.452 3.762 10 0 CHAERO CCc1csc([C@H]2CCC[N@H+](CCCCCOC)C2)n1 ZINC000171500984 335067655 /nfs/dbraw/zinc/06/76/55/335067655.db2.gz UKTXZVXFYIRRME-AWEZNQCLSA-N 1 0 296.480 3.702 10 0 CHAERO CCOC(=O)C(C)(C)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005325014 170085932 /nfs/dbraw/zinc/08/59/32/170085932.db2.gz CMOHXEFYKRPAEM-INIZCTEOSA-N 1 0 289.419 3.803 10 0 CHAERO C[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000005723649 170133241 /nfs/dbraw/zinc/13/32/41/170133241.db2.gz VWTWHSKDUBSPQE-GOSISDBHSA-N 1 0 251.373 3.850 10 0 CHAERO CCC[NH+](CCC)CCc1c[nH]c2ccc(O)cc12 ZINC000005832849 170144992 /nfs/dbraw/zinc/14/49/92/170144992.db2.gz CWMOGUBWVJQDSL-UHFFFAOYSA-N 1 0 260.381 3.538 10 0 CHAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000007043336 170263665 /nfs/dbraw/zinc/26/36/65/170263665.db2.gz OLSHFYHTAZPHDY-CQSZACIVSA-N 1 0 274.408 3.634 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])c2ccc(C)cc2)cc1OCC ZINC000008324977 170331520 /nfs/dbraw/zinc/33/15/20/170331520.db2.gz OQJBHOGERGLGIZ-SFHVURJKSA-N 1 0 285.387 3.841 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000009997123 170393324 /nfs/dbraw/zinc/39/33/24/170393324.db2.gz WEBLDUWBROMTIX-TXEJJXNPSA-N 1 0 282.225 3.927 10 0 CHAERO CCOc1ccc(C[NH2+][C@H](C)CC)cc1Br ZINC000010474913 170408415 /nfs/dbraw/zinc/40/84/15/170408415.db2.gz HDUOGYYCQXDHAN-SNVBAGLBSA-N 1 0 286.213 3.736 10 0 CHAERO COc1cc(OC)c2c(c1)[C@@H](c1ccc(C)c(C)c1)[NH2+]CC2 ZINC000011599504 170425071 /nfs/dbraw/zinc/42/50/71/170425071.db2.gz OGBHIIRMCYVMSD-LJQANCHMSA-N 1 0 297.398 3.556 10 0 CHAERO CCc1ccc(C[C@@H]([NH3+])Cc2ccccc2F)cc1 ZINC000011600527 170425331 /nfs/dbraw/zinc/42/53/31/170425331.db2.gz ADXQTQRHRQCFNH-MRXNPFEDSA-N 1 0 257.352 3.501 10 0 CHAERO COc1ccc([C@H]([NH3+])Cc2ccccc2Cl)cc1 ZINC000011603804 170426307 /nfs/dbraw/zinc/42/63/07/170426307.db2.gz MTUXQNWDYIMGOB-OAHLLOKOSA-N 1 0 261.752 3.591 10 0 CHAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000014960996 170650041 /nfs/dbraw/zinc/65/00/41/170650041.db2.gz HWVGILTYGZFGLR-QGZVFWFLSA-N 1 0 297.789 3.821 10 0 in-vivo CHAERO Fc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCCCC1 ZINC000015417968 170665254 /nfs/dbraw/zinc/66/52/54/170665254.db2.gz QLLKRBKYITUDKO-UHFFFAOYSA-N 1 0 258.340 3.612 10 0 CHAERO CC[C@H]([NH3+])c1ccc(OCc2ccccc2F)cc1 ZINC000019398346 170783807 /nfs/dbraw/zinc/78/38/07/170783807.db2.gz DIJMPSLMNLGMNA-INIZCTEOSA-N 1 0 259.324 3.815 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1OCC ZINC000019421233 170792471 /nfs/dbraw/zinc/79/24/71/170792471.db2.gz FELWSVGFDYJOBB-KRWDZBQOSA-N 1 0 289.350 3.671 10 0 CHAERO C[C@@H]([NH3+])c1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000019472159 170805707 /nfs/dbraw/zinc/80/57/07/170805707.db2.gz FCARZTBHVNLYIT-LLVKDONJSA-N 1 0 280.327 3.705 10 0 CHAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000019485648 170812218 /nfs/dbraw/zinc/81/22/18/170812218.db2.gz AUOOCVMWDCYROT-CYBMUJFWSA-N 1 0 298.130 3.775 10 0 CHAERO Cc1cc(O[C@H](C[NH3+])c2ccc(F)cc2)ccc1Cl ZINC000019671602 170836164 /nfs/dbraw/zinc/83/61/64/170836164.db2.gz KCRZNIAVFWHKRD-OAHLLOKOSA-N 1 0 279.742 3.866 10 0 CHAERO CC(C)(C)c1ccc([C@H](O)C[NH+]2CCCCC2)cc1 ZINC000019784956 170864553 /nfs/dbraw/zinc/86/45/53/170864553.db2.gz JLBLZMRHPVWNSU-MRXNPFEDSA-N 1 0 261.409 3.503 10 0 CHAERO [NH3+]Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000019802216 170871075 /nfs/dbraw/zinc/87/10/75/170871075.db2.gz MYNMUBKLFLOUJV-UHFFFAOYSA-N 1 0 295.169 3.704 10 0 CHAERO CC(C)c1ccc(OCc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000019808798 170877867 /nfs/dbraw/zinc/87/78/67/170877867.db2.gz QEPYADROJWIKHN-UHFFFAOYSA-N 1 0 268.360 3.673 10 0 CHAERO CC(C)c1ccc(Sc2cc(C(N)=[NH2+])ccn2)cc1 ZINC000019848114 170897700 /nfs/dbraw/zinc/89/77/00/170897700.db2.gz LMVREWUXCFVEKO-UHFFFAOYSA-N 1 0 271.389 3.640 10 0 CHAERO C[C@H]([NH3+])c1c(F)cccc1OC1CCC(C)CC1 ZINC000019873340 170903346 /nfs/dbraw/zinc/90/33/46/170903346.db2.gz VTDCUVNVDGSJGB-CXQJBGSLSA-N 1 0 251.345 3.803 10 0 CHAERO Cc1csc(Sc2ccc(F)cc2[C@@H](C)[NH3+])n1 ZINC000019874100 170903566 /nfs/dbraw/zinc/90/35/66/170903566.db2.gz IGEIPSKEPVVBOV-MRVPVSSYSA-N 1 0 268.382 3.762 10 0 CHAERO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)ccc1O ZINC000019963308 170944769 /nfs/dbraw/zinc/94/47/69/170944769.db2.gz USELFPPAEWDUSV-OSFYFWSMSA-N 1 0 277.408 3.876 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2c(C)cc(C)cc2C)c(C)c1 ZINC000019972141 170956728 /nfs/dbraw/zinc/95/67/28/170956728.db2.gz SUIOROLQIAMHOY-GOSISDBHSA-N 1 0 269.388 3.977 10 0 CHAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129359 171016925 /nfs/dbraw/zinc/01/69/25/171016925.db2.gz PLJNDDORYZAITQ-KSSFIOAISA-N 1 0 286.394 3.779 10 0 CHAERO C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000020144695 171030387 /nfs/dbraw/zinc/03/03/87/171030387.db2.gz YCUBHCPXUYBEAU-OLZOCXBDSA-N 1 0 259.349 3.657 10 0 CHAERO C=COCCC[NH2+][C@@H](C)c1ccccc1Br ZINC000020197298 171061147 /nfs/dbraw/zinc/06/11/47/171061147.db2.gz WLBLMPVCTFQKPG-NSHDSACASA-N 1 0 284.197 3.650 10 0 CHAERO C=COCCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000020197189 171061207 /nfs/dbraw/zinc/06/12/07/171061207.db2.gz SZSIKTQFRDHMKP-NSHDSACASA-N 1 0 284.197 3.650 10 0 CHAERO CN(Cc1cccc(Cl)c1)[C@@H](C[NH3+])c1ccccc1F ZINC000020225608 171088079 /nfs/dbraw/zinc/08/80/79/171088079.db2.gz WKVXITITFPQQED-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CCc1ccc([C@H](C[NH3+])N(C)Cc2ccccc2C)cc1 ZINC000020225701 171088394 /nfs/dbraw/zinc/08/83/94/171088394.db2.gz WZIAQWICSYTKIB-IBGZPJMESA-N 1 0 282.431 3.689 10 0 CHAERO Cc1cccc([C@H](C[NH3+])N(C)Cc2ccc(Cl)cc2)c1 ZINC000020225500 171088911 /nfs/dbraw/zinc/08/89/11/171088911.db2.gz VFRYCFKELJPSQR-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO [NH3+]CCCN(Cc1ccccc1Cl)c1ccccc1 ZINC000020236899 171096281 /nfs/dbraw/zinc/09/62/81/171096281.db2.gz XQMALOWEDPOVHM-UHFFFAOYSA-N 1 0 274.795 3.695 10 0 CHAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(SC)cc1 ZINC000020362586 171161523 /nfs/dbraw/zinc/16/15/23/171161523.db2.gz IFGGGWWCPZWULF-QGZVFWFLSA-N 1 0 286.444 3.935 10 0 CHAERO Cc1cc(C)cc([C@@H]([NH3+])c2ccc3c(c2)CCC3)c1 ZINC000020384562 171174893 /nfs/dbraw/zinc/17/48/93/171174893.db2.gz QQIJHQBYRXZCBE-SFHVURJKSA-N 1 0 251.373 3.840 10 0 CHAERO [NH3+][C@@H](Cc1c(F)cccc1Cl)c1ccc(F)cc1F ZINC000020425917 171191825 /nfs/dbraw/zinc/19/18/25/171191825.db2.gz CTWPWIBZQPVKKB-AWEZNQCLSA-N 1 0 285.696 4.000 10 0 CHAERO [NH3+][C@H](Cc1nc2ccccc2o1)c1cccc(Cl)c1 ZINC000020428052 171193309 /nfs/dbraw/zinc/19/33/09/171193309.db2.gz CZFUOTFRSRKANO-GFCCVEGCSA-N 1 0 272.735 3.724 10 0 CHAERO [NH3+][C@H](Cc1ccccn1)c1ccc(Cl)cc1Cl ZINC000020429146 171193985 /nfs/dbraw/zinc/19/39/85/171193985.db2.gz LZVXCECUQKUXDU-CYBMUJFWSA-N 1 0 267.159 3.631 10 0 CHAERO COc1cccc(C[C@@H]([NH3+])c2cc(C)sc2C)c1 ZINC000020431466 171196232 /nfs/dbraw/zinc/19/62/32/171196232.db2.gz VHELKIZXEYGHSE-OAHLLOKOSA-N 1 0 261.390 3.616 10 0 CHAERO Cc1ccc(COc2c(C)cc(C[NH3+])cc2C)cc1 ZINC000020470791 171213298 /nfs/dbraw/zinc/21/32/98/171213298.db2.gz CZYVWGVVDUVCHT-UHFFFAOYSA-N 1 0 255.361 3.650 10 0 CHAERO CCCC[C@@H](CC)[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000020482266 171222888 /nfs/dbraw/zinc/22/28/88/171222888.db2.gz OYUWUTDONGHAJI-WBMJQRKESA-N 1 0 263.381 3.674 10 0 CHAERO [NH3+]Cc1cc(Br)ccc1OCC1CCCCC1 ZINC000020483440 171223728 /nfs/dbraw/zinc/22/37/28/171223728.db2.gz DDZLHUQQNOKBNG-UHFFFAOYSA-N 1 0 298.224 3.867 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1cccc(C)c1 ZINC000020484700 171224478 /nfs/dbraw/zinc/22/44/78/171224478.db2.gz RGJPIYJJJMUXSO-KRWDZBQOSA-N 1 0 262.441 3.897 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1ccc(F)cc1 ZINC000020484802 171224621 /nfs/dbraw/zinc/22/46/21/171224621.db2.gz YGBNWBSVURBWAB-INIZCTEOSA-N 1 0 266.404 3.728 10 0 CHAERO CCCC[NH+](CCCC)Cc1cccc(C(N)=S)c1 ZINC000020485511 171225404 /nfs/dbraw/zinc/22/54/04/171225404.db2.gz BUVSAEAFNOGGBM-UHFFFAOYSA-N 1 0 278.465 3.723 10 0 CHAERO C[C@H]1C[C@@H](Oc2ccc(C(N)=[NH2+])cc2)CC(C)(C)C1 ZINC000020516566 171232271 /nfs/dbraw/zinc/23/22/71/171232271.db2.gz PQBHGMFEGJWCCJ-SMDDNHRTSA-N 1 0 260.381 3.564 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccc(C)c(F)c2)cc1Cl ZINC000020521860 171234982 /nfs/dbraw/zinc/23/49/82/171234982.db2.gz JHPZGXAYBYEWLA-OAHLLOKOSA-N 1 0 279.742 3.844 10 0 CHAERO COc1ccc([C@H]([NH3+])C2CCCCC2)cc1Cl ZINC000020521851 171235308 /nfs/dbraw/zinc/23/53/08/171235308.db2.gz QVRXGFMOSKSSMF-CQSZACIVSA-N 1 0 253.773 3.929 10 0 CHAERO COc1ccc([C@@H]([NH3+])CC2CCCC2)cc1Cl ZINC000020521918 171235711 /nfs/dbraw/zinc/23/57/11/171235711.db2.gz ZOTOXVJVWZLZJQ-ZDUSSCGKSA-N 1 0 253.773 3.929 10 0 CHAERO Clc1cc(Cl)c(OCC[NH2+]C2CC2)c(Cl)c1 ZINC000020524874 171237855 /nfs/dbraw/zinc/23/78/55/171237855.db2.gz UXBXIMSTKIKKBB-UHFFFAOYSA-N 1 0 280.582 3.778 10 0 CHAERO Cc1cc(Cl)cc(C)c1OCCC[NH2+]C(C)C ZINC000020525395 171238274 /nfs/dbraw/zinc/23/82/74/171238274.db2.gz KTXFZBZUEPIGSN-UHFFFAOYSA-N 1 0 255.789 3.724 10 0 CHAERO CCC[NH+](CCC)[C@H](CN)c1ccc2ccccc2c1 ZINC000020547228 171244401 /nfs/dbraw/zinc/24/44/01/171244401.db2.gz AZOGSFDFBQLWRB-GOSISDBHSA-N 1 0 270.420 3.962 10 0 CHAERO CC[C@H](C)C[C@](CC)(CN)[NH+]1CCCCCCC1 ZINC000020547511 171244883 /nfs/dbraw/zinc/24/48/83/171244883.db2.gz NIRTYKCJZBTQFD-JKSUJKDBSA-N 1 0 254.462 3.796 10 0 CHAERO Cc1cccc(OC[C@@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020553976 171249149 /nfs/dbraw/zinc/24/91/49/171249149.db2.gz AXEVKNYJGFFJRE-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](OCCOc2ccccc2)C1 ZINC000020565726 171254296 /nfs/dbraw/zinc/25/42/96/171254296.db2.gz UXXJUCPPZLMBOK-OIISXLGYSA-N 1 0 291.435 3.624 10 0 CHAERO Nc1c[nH+]ccc1Nc1cc(Cl)cc(Cl)c1 ZINC000020585283 171258469 /nfs/dbraw/zinc/25/84/69/171258469.db2.gz KVBDGACXSLMMRH-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccccc1 ZINC000020586760 171259572 /nfs/dbraw/zinc/25/95/72/171259572.db2.gz BCNFIDVXWOVGOK-AWEZNQCLSA-N 1 0 292.176 3.506 10 0 CHAERO COc1ccc(Br)cc1[C@H]([NH3+])CC(C)C ZINC000020586776 171259640 /nfs/dbraw/zinc/25/96/40/171259640.db2.gz QEOIVFOSWCJZHW-LLVKDONJSA-N 1 0 272.186 3.504 10 0 CHAERO c1ccc2c(c1)CCC[C@@H]2OCC[C@@H]1CCCC[NH2+]1 ZINC000020593575 171262987 /nfs/dbraw/zinc/26/29/87/171262987.db2.gz ASCNAGANMXXVDQ-RDJZCZTQSA-N 1 0 259.393 3.613 10 0 CHAERO CCCOc1ccc(Cl)cc1C[NH2+]CC(C)C ZINC000020928840 171280551 /nfs/dbraw/zinc/28/05/51/171280551.db2.gz DMZKDJPGXANORL-UHFFFAOYSA-N 1 0 255.789 3.874 10 0 CHAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccccc1C(F)(F)F ZINC000021008887 171285477 /nfs/dbraw/zinc/28/54/77/171285477.db2.gz BGAMXGPJTWHHCW-NEPJUHHUSA-N 1 0 275.314 3.990 10 0 CHAERO CC(C)Cc1ccc([C@@H](N)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000021011663 171287174 /nfs/dbraw/zinc/28/71/74/171287174.db2.gz LIJSTADSEJDEPV-QAPCUYQASA-N 1 0 274.452 3.617 10 0 CHAERO Cc1cc(C)c([C@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000021012423 171287904 /nfs/dbraw/zinc/28/79/04/171287904.db2.gz UHMVYWZPMUVOAZ-VBQJREDUSA-N 1 0 274.452 3.590 10 0 CHAERO CC[C@H](Oc1ccc(C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000021013111 171288545 /nfs/dbraw/zinc/28/85/45/171288545.db2.gz YFXWRBCYRWMRCS-IRXDYDNUSA-N 1 0 255.361 3.852 10 0 CHAERO CC[NH+](CC)[C@@H](c1ccccc1)[C@H](N)Cc1ccccc1 ZINC000021013694 171288892 /nfs/dbraw/zinc/28/88/92/171288892.db2.gz AVAKWBHVJIRYDX-MOPGFXCFSA-N 1 0 282.431 3.640 10 0 CHAERO Cc1ccc(O[C@@H](C)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021014664 171289171 /nfs/dbraw/zinc/28/91/71/171289171.db2.gz KKPOKZMJHXQPTQ-WMLDXEAASA-N 1 0 255.361 3.771 10 0 CHAERO CCCC[N@H+](C)C1(CN)CCC(c2ccccc2)CC1 ZINC000021019337 171290410 /nfs/dbraw/zinc/29/04/10/171290410.db2.gz LSBIMDIYDGWQJK-UHFFFAOYSA-N 1 0 274.452 3.774 10 0 CHAERO CCCCC[C@H](C)[NH2+]C[C@@H](C(CC)CC)N(C)C ZINC000021040120 171293353 /nfs/dbraw/zinc/29/33/53/171293353.db2.gz ILBOEMIUPDTXDR-HOCLYGCPSA-N 1 0 256.478 3.911 10 0 CHAERO CC[C@H](NCC[NH+](C(C)C)C(C)C)c1ccc(F)cc1 ZINC000021049816 171294794 /nfs/dbraw/zinc/29/47/94/171294794.db2.gz KVJLIGXTVFVTJV-KRWDZBQOSA-N 1 0 280.431 3.985 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C(N)=[NH2+])cc1 ZINC000021051627 171295143 /nfs/dbraw/zinc/29/51/43/171295143.db2.gz VQCWNYUNAIDZRW-WQVCFCJDSA-N 1 0 274.408 3.810 10 0 CHAERO CCc1ccc([C@H](N)C[N@@H+](CC)C2CCCCC2)cc1 ZINC000021499933 171304339 /nfs/dbraw/zinc/30/43/39/171304339.db2.gz MJXVWVUWSKVCLA-GOSISDBHSA-N 1 0 274.452 3.903 10 0 CHAERO CCc1ccc([C@@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021508643 171309102 /nfs/dbraw/zinc/30/91/02/171309102.db2.gz XNUJDCIOPIEQPF-VBQJREDUSA-N 1 0 260.425 3.512 10 0 CHAERO COc1cc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc(OC)c1 ZINC000021515082 171312047 /nfs/dbraw/zinc/31/20/47/171312047.db2.gz FVHOSGFREBVDQB-IGCXYCKISA-N 1 0 277.408 3.618 10 0 CHAERO CCCOc1ccc([C@H](C)NCCC[NH+](CC)CC)cc1 ZINC000021516705 171312829 /nfs/dbraw/zinc/31/28/29/171312829.db2.gz UQENKNPVLBNJPG-INIZCTEOSA-N 1 0 292.467 3.858 10 0 CHAERO CC[C@@H](Oc1cccc(C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000021518655 171315062 /nfs/dbraw/zinc/31/50/62/171315062.db2.gz NFTGADABOBMIAZ-SJORKVTESA-N 1 0 255.361 3.852 10 0 CHAERO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc(F)cc1Cl ZINC000021789456 171323440 /nfs/dbraw/zinc/32/34/40/171323440.db2.gz HMYRWLFNLCMUFA-CYBMUJFWSA-N 1 0 298.833 3.833 10 0 CHAERO Cc1nccn1[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021789406 171323515 /nfs/dbraw/zinc/32/35/15/171323515.db2.gz IDNYKDFSIOWHDH-HZPDHXFCSA-N 1 0 263.429 3.975 10 0 CHAERO CCN(CC)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021790793 171323777 /nfs/dbraw/zinc/32/37/77/171323777.db2.gz APHPNMVFWDKXPT-LSDHHAIUSA-N 1 0 254.462 3.523 10 0 CHAERO CCOc1ccc(OC[C@@H]([NH3+])c2ccc(CC)cc2)cc1 ZINC000021799966 171325909 /nfs/dbraw/zinc/32/59/09/171325909.db2.gz REHYMRRNUGAYAG-GOSISDBHSA-N 1 0 285.387 3.727 10 0 CHAERO CCC(CC)[C@H](C[NH2+][C@@H](C)CCC(C)C)N(C)C ZINC000021801441 171326339 /nfs/dbraw/zinc/32/63/39/171326339.db2.gz NLTGRHLJYDHWQM-HOCLYGCPSA-N 1 0 256.478 3.767 10 0 CHAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc3ccccc3c2)C1 ZINC000021804908 171326948 /nfs/dbraw/zinc/32/69/48/171326948.db2.gz NDHGGXLDXMSSOW-DQYPLSBCSA-N 1 0 255.361 3.735 10 0 CHAERO CC(C)[C@@H](C[NH2+]C1[C@H](C)CCC[C@@H]1C)N1CCCC1 ZINC000021815989 171332575 /nfs/dbraw/zinc/33/25/75/171332575.db2.gz QPKOHMROELBOMG-LVYZTWJOSA-N 1 0 266.473 3.521 10 0 CHAERO CCN(C[C@@H]([NH3+])c1ccccc1C)c1ccccc1 ZINC000022146510 171356720 /nfs/dbraw/zinc/35/67/20/171356720.db2.gz CKSSEXZVYBSCPX-QGZVFWFLSA-N 1 0 254.377 3.521 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2ccccc2C)cc1C ZINC000022148749 171357615 /nfs/dbraw/zinc/35/76/15/171357615.db2.gz YKVYDLLXEWMHGR-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO [NH3+]Cc1ccc(COc2cccc3ccccc32)cc1 ZINC000022170880 171368128 /nfs/dbraw/zinc/36/81/28/171368128.db2.gz RCJYZPICKAYZOX-UHFFFAOYSA-N 1 0 263.340 3.878 10 0 CHAERO CCc1cccc2c([C@H](C[NH3+])c3ccccc3)c[nH]c21 ZINC000026512799 171490729 /nfs/dbraw/zinc/49/07/29/171490729.db2.gz OJAKLHUIJMMRAB-MRXNPFEDSA-N 1 0 264.372 3.821 10 0 CHAERO [NH3+]CCC[C@@H](Oc1ccccc1F)c1cccs1 ZINC000032113945 171707557 /nfs/dbraw/zinc/70/75/57/171707557.db2.gz LUOFYPMLUVNGGL-CYBMUJFWSA-N 1 0 265.353 3.746 10 0 CHAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1N(C)C(C)C ZINC000034839282 171883266 /nfs/dbraw/zinc/88/32/66/171883266.db2.gz HQORZQVHKUEQGW-LBPRGKRZSA-N 1 0 252.377 3.731 10 0 CHAERO CCC[C@@H]([NH3+])c1cc(OCC)c(OCC)cc1Cl ZINC000034974360 171909894 /nfs/dbraw/zinc/90/98/94/171909894.db2.gz SATSCQXIGZREBF-GFCCVEGCSA-N 1 0 271.788 3.937 10 0 CHAERO Clc1ccc(CC[NH2+]C[C@H]2CCCCO2)c(Cl)c1 ZINC000035151097 172014458 /nfs/dbraw/zinc/01/44/58/172014458.db2.gz ZTWIBDARJYKMKQ-CYBMUJFWSA-N 1 0 288.218 3.695 10 0 CHAERO CCCCC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159803 172017598 /nfs/dbraw/zinc/01/75/98/172017598.db2.gz XWERYZIMQCPVDI-UHFFFAOYSA-N 1 0 289.206 3.712 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@H]1CCCCCC[C@@H]1N ZINC000035219754 172060315 /nfs/dbraw/zinc/06/03/15/172060315.db2.gz ZTLBWBQASYOHHQ-HOTGVXAUSA-N 1 0 252.446 3.691 10 0 CHAERO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)N(C)C ZINC000035286237 172104246 /nfs/dbraw/zinc/10/42/46/172104246.db2.gz ICXIZNFRECTXCQ-QWRGUYRKSA-N 1 0 274.861 3.638 10 0 CHAERO C[C@H]1CCCC[C@@H]1Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332608 172130822 /nfs/dbraw/zinc/13/08/22/172130822.db2.gz WOJAAMDWYBVATP-NHYWBVRUSA-N 1 0 255.365 3.808 10 0 CHAERO [NH3+][C@@H](c1cc2c(s1)CCC2)c1ccc2c(c1)CCC2 ZINC000035381293 172163763 /nfs/dbraw/zinc/16/37/63/172163763.db2.gz YNYFEHCQEBSUJW-QGZVFWFLSA-N 1 0 269.413 3.774 10 0 CHAERO Cc1occc1[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000035382438 172165519 /nfs/dbraw/zinc/16/55/19/172165519.db2.gz DDISFUBTXXPROK-GFCCVEGCSA-N 1 0 256.132 3.943 10 0 CHAERO CC(C)(C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2s1 ZINC000035411275 172182616 /nfs/dbraw/zinc/18/26/16/172182616.db2.gz KDQIQZQOAMNPRS-JTQLQIEISA-N 1 0 254.786 3.996 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2Cl)cc1F ZINC000035424186 172192569 /nfs/dbraw/zinc/19/25/69/172192569.db2.gz IEDJFMXHELKUFO-AWEZNQCLSA-N 1 0 283.705 3.675 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)o1)c1ccc(C)c(C)c1 ZINC000035456970 172206658 /nfs/dbraw/zinc/20/66/58/172206658.db2.gz REHFNYIQUOCUPM-AWEZNQCLSA-N 1 0 294.192 3.968 10 0 CHAERO CCCC[C@H]([NH2+]C)c1cc(Br)ccc1OC ZINC000035456093 172206851 /nfs/dbraw/zinc/20/68/51/172206851.db2.gz FKESHYRZYFKOOL-LBPRGKRZSA-N 1 0 286.213 3.908 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(F)cc1F ZINC000035459115 172208051 /nfs/dbraw/zinc/20/80/51/172208051.db2.gz AGJKPAAJAFRAEN-ZDUSSCGKSA-N 1 0 253.317 3.644 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(OC)cc2)s1 ZINC000035461080 172210372 /nfs/dbraw/zinc/21/03/72/172210372.db2.gz HFBSEYYTSVJKBY-HNNXBMFYSA-N 1 0 261.390 3.628 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000035465908 172212905 /nfs/dbraw/zinc/21/29/05/172212905.db2.gz PLBCFERBMJIPBN-OAHLLOKOSA-N 1 0 261.752 3.657 10 0 CHAERO C[NH2+][C@@H](c1cc2c(s1)CCC2)c1ccc(C)cc1 ZINC000035466041 172213894 /nfs/dbraw/zinc/21/38/94/172213894.db2.gz ZDMVTRKSRFVPEH-MRXNPFEDSA-N 1 0 257.402 3.854 10 0 CHAERO CCCCC[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466656 172214850 /nfs/dbraw/zinc/21/48/50/172214850.db2.gz PCHXTIJIKSZBDV-CQSZACIVSA-N 1 0 251.370 3.545 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(F)ccc1F ZINC000035468575 172217542 /nfs/dbraw/zinc/21/75/42/172217542.db2.gz VBIJUJLLDKWQPN-ZDUSSCGKSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(OC)cc1C ZINC000035468536 172217668 /nfs/dbraw/zinc/21/76/68/172217668.db2.gz NMLYHXNMUMVILB-KRWDZBQOSA-N 1 0 255.361 3.621 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1cc(Cl)ccc1F ZINC000035488005 172223302 /nfs/dbraw/zinc/22/33/02/172223302.db2.gz OQXLSSXHXUJETL-GFCCVEGCSA-N 1 0 255.745 3.849 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(C)oc1C ZINC000035497956 172231144 /nfs/dbraw/zinc/23/11/44/172231144.db2.gz NSFHFOKYSYSKJJ-GFCCVEGCSA-N 1 0 255.770 3.920 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)c1c(F)cccc1F ZINC000035497673 172231481 /nfs/dbraw/zinc/23/14/81/172231481.db2.gz BKWSSBKFXUDXCU-CQSZACIVSA-N 1 0 267.344 3.952 10 0 CHAERO CCCCC[C@@H]([NH2+]C)c1cnn(-c2ccccc2)c1 ZINC000035500473 172233864 /nfs/dbraw/zinc/23/38/64/172233864.db2.gz GTLSJPMMSFSTJK-MRXNPFEDSA-N 1 0 257.381 3.713 10 0 CHAERO CC[C@@H](C)[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501252 172235990 /nfs/dbraw/zinc/23/59/90/172235990.db2.gz GHLWKVMFBNNIIF-YMTOWFKASA-N 1 0 271.788 3.664 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504382 172238293 /nfs/dbraw/zinc/23/82/93/172238293.db2.gz DIUBXBPLLQZGAH-NHYWBVRUSA-N 1 0 273.401 3.689 10 0 CHAERO C[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)C1CCCCC1 ZINC000035505027 172238374 /nfs/dbraw/zinc/23/83/74/172238374.db2.gz UWODAXCJBUOSPT-SJCJKPOMSA-N 1 0 259.393 3.851 10 0 CHAERO CCOc1ccc(Br)cc1[C@H]([NH2+]C)C(C)C ZINC000035505570 172238880 /nfs/dbraw/zinc/23/88/80/172238880.db2.gz PLXVFZBIJCINHV-CYBMUJFWSA-N 1 0 286.213 3.764 10 0 CHAERO CCOc1ccc(Br)cc1[C@@H]([NH2+]C)C(C)C ZINC000035505572 172239487 /nfs/dbraw/zinc/23/94/87/172239487.db2.gz PLXVFZBIJCINHV-ZDUSSCGKSA-N 1 0 286.213 3.764 10 0 CHAERO CCC[C@H]([NH2+]CC)c1ccc(OC)c(Br)c1 ZINC000035508247 172240728 /nfs/dbraw/zinc/24/07/28/172240728.db2.gz LQXMEVYVZJVPME-LBPRGKRZSA-N 1 0 286.213 3.908 10 0 CHAERO CC[NH2+][C@H](c1cc(Br)ccc1OC)C1CC1 ZINC000035509063 172240943 /nfs/dbraw/zinc/24/09/43/172240943.db2.gz OWRLONRPUZUYTF-ZDUSSCGKSA-N 1 0 284.197 3.518 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cccc(OC)c1 ZINC000035510255 172241688 /nfs/dbraw/zinc/24/16/88/172241688.db2.gz XEYOSYNXCDZXQX-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@H](c1ccc(Br)o1)c1ccccc1 ZINC000035540445 172246751 /nfs/dbraw/zinc/24/67/51/172246751.db2.gz OEZKHKANYCUZPH-ZDUSSCGKSA-N 1 0 280.165 3.741 10 0 CHAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(OC)cc1 ZINC000035540716 172247268 /nfs/dbraw/zinc/24/72/68/172247268.db2.gz YESMJSYWTJTAPB-INIZCTEOSA-N 1 0 259.349 3.604 10 0 CHAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(OC)cc1 ZINC000035540717 172247358 /nfs/dbraw/zinc/24/73/58/172247358.db2.gz YESMJSYWTJTAPB-MRXNPFEDSA-N 1 0 259.349 3.604 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000035541045 172248177 /nfs/dbraw/zinc/24/81/77/172248177.db2.gz WOZRESBHVZARCN-MRXNPFEDSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1ccc(OCC)cc1 ZINC000035541193 172248782 /nfs/dbraw/zinc/24/87/82/172248782.db2.gz HMYLDTRDMWFLTP-HNNXBMFYSA-N 1 0 261.390 3.846 10 0 CHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(F)cc1F ZINC000035547275 172255313 /nfs/dbraw/zinc/25/53/13/172255313.db2.gz PCABAUVUUKTVMF-CQSZACIVSA-N 1 0 251.276 3.565 10 0 CHAERO CC[NH2+][C@H](c1ccccc1C)c1ccc(F)cc1F ZINC000035547587 172255919 /nfs/dbraw/zinc/25/59/19/172255919.db2.gz FMZRHRUOJXSTPD-MRXNPFEDSA-N 1 0 261.315 3.972 10 0 CHAERO CCCc1ccc([C@H]([NH2+]CC)c2cccnc2)cc1 ZINC000035550381 172258290 /nfs/dbraw/zinc/25/82/90/172258290.db2.gz QWXVUOYHTHODPL-KRWDZBQOSA-N 1 0 254.377 3.733 10 0 CHAERO CC[NH2+][C@H](c1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000035559726 172264158 /nfs/dbraw/zinc/26/41/58/172264158.db2.gz RWORQXMEKLWHFY-WCBMZHEXSA-N 1 0 280.220 3.885 10 0 CHAERO CC[NH2+][C@@H](c1cc(Br)ccc1OCC)C1CC1 ZINC000035571240 172267350 /nfs/dbraw/zinc/26/73/50/172267350.db2.gz FDGGVRSZJNWORW-CQSZACIVSA-N 1 0 298.224 3.908 10 0 CHAERO CCC[NH2+][C@H](c1ccc(CCC)cc1)[C@H]1CCCO1 ZINC000035582865 172281096 /nfs/dbraw/zinc/28/10/96/172281096.db2.gz RBPKAHWOCXHYRX-IAGOWNOFSA-N 1 0 261.409 3.859 10 0 CHAERO CCC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000035583673 172282412 /nfs/dbraw/zinc/28/24/12/172282412.db2.gz GXIUZCOIDHSDDZ-SKDRFNHKSA-N 1 0 259.802 3.621 10 0 CHAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)[C@H]1C[C@@H]1C ZINC000035583953 172282508 /nfs/dbraw/zinc/28/25/08/172282508.db2.gz PQZHDGDZZIIGPR-WBIUFABUSA-N 1 0 251.345 3.531 10 0 CHAERO CCC[NH2+][C@@H](CC(C)C)c1cc(F)ccc1OC ZINC000035583922 172282895 /nfs/dbraw/zinc/28/28/95/172282895.db2.gz GSJPXXPTQZPTGT-AWEZNQCLSA-N 1 0 253.361 3.921 10 0 CHAERO CCCC[C@H](CC)[C@H]([NH2+]CCC)c1cnn(C)c1 ZINC000035584159 172283216 /nfs/dbraw/zinc/28/32/16/172283216.db2.gz NKKODNRLEYPESO-ZFWWWQNUSA-N 1 0 251.418 3.677 10 0 CHAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035586670 172285663 /nfs/dbraw/zinc/28/56/63/172285663.db2.gz IIYJLGGIMQUUBI-CYBMUJFWSA-N 1 0 298.217 4.000 10 0 CHAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035586653 172285897 /nfs/dbraw/zinc/28/58/97/172285897.db2.gz MEXBNJHZTPDWEX-LBPRGKRZSA-N 1 0 298.217 4.000 10 0 CHAERO CCC[NH2+][C@H](CC(C)C)c1ccc(OC)c(F)c1 ZINC000035598539 172287863 /nfs/dbraw/zinc/28/78/63/172287863.db2.gz HDUFWXWXIHIZGQ-CQSZACIVSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@H](C)c1cccc(NC(=O)CCC(C)C)c1 ZINC000035635399 172320658 /nfs/dbraw/zinc/32/06/58/172320658.db2.gz GFMJKJISZHXHIM-CYBMUJFWSA-N 1 0 262.397 3.732 10 0 CHAERO [NH3+]Cc1ccnc(Oc2ccc(Cl)cc2Cl)c1 ZINC000035719828 172374318 /nfs/dbraw/zinc/37/43/18/172374318.db2.gz ZXBPDJQUJAOFEF-UHFFFAOYSA-N 1 0 269.131 3.639 10 0 CHAERO [NH3+]Cc1ccc(Sc2ccc(F)cc2F)cc1 ZINC000035719903 172374856 /nfs/dbraw/zinc/37/48/56/172374856.db2.gz TZEKHXVWHCJAMY-UHFFFAOYSA-N 1 0 251.301 3.575 10 0 CHAERO CC(C)c1ccc(Sc2ncccc2C[NH3+])cc1 ZINC000035720087 172375030 /nfs/dbraw/zinc/37/50/30/172375030.db2.gz YJJBZUSBGSXTCG-UHFFFAOYSA-N 1 0 258.390 3.815 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1ccc(F)c(F)c1 ZINC000035722085 172377798 /nfs/dbraw/zinc/37/77/98/172377798.db2.gz FVCQXOKCZSEURJ-ZANVPECISA-N 1 0 257.349 3.574 10 0 CHAERO CC[C@@H](CC[NH3+])Sc1nc2ccccc2s1 ZINC000035722482 172378296 /nfs/dbraw/zinc/37/82/96/172378296.db2.gz FKQXKRMKMVASFC-VIFPVBQESA-N 1 0 252.408 3.516 10 0 CHAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccco1 ZINC000035738814 172392369 /nfs/dbraw/zinc/39/23/69/172392369.db2.gz BUNUOFKZEWQIGV-STQMWFEESA-N 1 0 287.359 3.853 10 0 CHAERO Clc1ccc(-c2c[nH]c([C@H]3CCC[NH2+]C3)n2)c(Cl)c1 ZINC000036876404 172771905 /nfs/dbraw/zinc/77/19/05/172771905.db2.gz JWANPOHMLBHUOS-VIFPVBQESA-N 1 0 296.201 3.851 10 0 CHAERO CC[C@H](C)C[N@H+](C)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000037172627 173006740 /nfs/dbraw/zinc/00/67/40/173006740.db2.gz WHTIGWOYEGPSFB-YOEHRIQHSA-N 1 0 262.441 3.788 10 0 CHAERO CC[C@H](C)CN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000037172649 173007148 /nfs/dbraw/zinc/00/71/48/173007148.db2.gz ALSUTLJUNVAUTH-HZMBPMFUSA-N 1 0 289.250 3.971 10 0 CHAERO CC[NH+](CC)CCCNc1nc2cc(F)ccc2s1 ZINC000037206635 173027600 /nfs/dbraw/zinc/02/76/00/173027600.db2.gz CEQMMCINOPTAER-UHFFFAOYSA-N 1 0 281.400 3.579 10 0 CHAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(F)cc2)C1 ZINC000037209959 173031718 /nfs/dbraw/zinc/03/17/18/173031718.db2.gz IUXYDFTZYJIZBH-ZIAGYGMSSA-N 1 0 264.388 3.748 10 0 CHAERO C[C@@H](Nc1cccc(Br)c1)[C@H]1CCC[N@H+](C)C1 ZINC000037209951 173031743 /nfs/dbraw/zinc/03/17/43/173031743.db2.gz XDSULGJCBDUNAP-NEPJUHHUSA-N 1 0 297.240 3.591 10 0 CHAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1scnc1C ZINC000037217622 173035956 /nfs/dbraw/zinc/03/59/56/173035956.db2.gz LVCPGWSPQVBSDW-PWSUYJOCSA-N 1 0 276.405 3.872 10 0 CHAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1scnc1C ZINC000037217620 173035964 /nfs/dbraw/zinc/03/59/64/173035964.db2.gz LVCPGWSPQVBSDW-JQWIXIFHSA-N 1 0 276.405 3.872 10 0 CHAERO CCCN(CCC)c1ccc(F)cc1C[NH2+]CC ZINC000037236129 173054486 /nfs/dbraw/zinc/05/44/86/173054486.db2.gz JVZMCHGJIVPADO-UHFFFAOYSA-N 1 0 252.377 3.562 10 0 CHAERO FC(F)(F)C1CCC([NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)CC1 ZINC000037305906 173110352 /nfs/dbraw/zinc/11/03/52/173110352.db2.gz MBCNMXQTZVGYQS-HQXFNHHZSA-N 1 0 259.315 3.662 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000037321601 173122307 /nfs/dbraw/zinc/12/23/07/173122307.db2.gz LAUBXVYCDGMSQU-NVXWUHKLSA-N 1 0 262.441 3.622 10 0 CHAERO CCc1ccc(C(=O)[C@@H](C)[N@H+](C)C2CCCC2)cc1 ZINC000037334813 173135837 /nfs/dbraw/zinc/13/58/37/173135837.db2.gz ORIGGULSPQVCHH-CYBMUJFWSA-N 1 0 259.393 3.695 10 0 CHAERO CC[N@H+](CC(C)C)[C@H](C)C(=O)c1ccc(F)cc1F ZINC000037336303 173137021 /nfs/dbraw/zinc/13/70/21/173137021.db2.gz PHGOXVFJKYBDJZ-LLVKDONJSA-N 1 0 269.335 3.514 10 0 CHAERO CCCc1ccc(C(=O)C[N@@H+](C)[C@H](C)CCC)cc1 ZINC000037339338 173140331 /nfs/dbraw/zinc/14/03/31/173140331.db2.gz KQMJFPMQRAAIJD-CQSZACIVSA-N 1 0 261.409 3.942 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@@H]([NH3+])[C@H](C)CC ZINC000037438363 173208488 /nfs/dbraw/zinc/20/84/88/173208488.db2.gz RMSLVSSUFUKPNH-DOMZBBRYSA-N 1 0 259.397 3.801 10 0 CHAERO CC(C)n1c2ccc(F)cc2nc1[C@H]([NH3+])c1ccccc1 ZINC000037439749 173209358 /nfs/dbraw/zinc/20/93/58/173209358.db2.gz PDBYOYPBFHZCGN-MRXNPFEDSA-N 1 0 283.350 3.804 10 0 CHAERO [NH3+][C@@H](c1cccc(Br)c1)C1CCCC1 ZINC000037466559 173226683 /nfs/dbraw/zinc/22/66/83/173226683.db2.gz GMSOAUJJXLZSGT-GFCCVEGCSA-N 1 0 254.171 3.639 10 0 CHAERO Cc1cccc([C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000037466570 173226895 /nfs/dbraw/zinc/22/68/95/173226895.db2.gz OUMWHMYLUPHGKW-AWEZNQCLSA-N 1 0 276.177 3.806 10 0 CHAERO COc1ccccc1[C@](C)([NH3+])CCc1ccccc1 ZINC000037531776 173253489 /nfs/dbraw/zinc/25/34/89/173253489.db2.gz DDTWHFJYQFFTON-QGZVFWFLSA-N 1 0 255.361 3.502 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccccn1)c1ccccc1C ZINC000037535491 173255250 /nfs/dbraw/zinc/25/52/50/173255250.db2.gz UMBWWHMRVFLPDC-KRWDZBQOSA-N 1 0 254.377 3.673 10 0 CHAERO CC(C)[NH2+]CCc1nc2cc(Cl)ccc2n1C1CC1 ZINC000037599852 173552794 /nfs/dbraw/zinc/55/27/94/173552794.db2.gz AMCVUHMPWQIAQA-UHFFFAOYSA-N 1 0 277.799 3.565 10 0 CHAERO CC(C)=CCOc1c(Cl)cc(Cl)cc1CC[NH3+] ZINC000037722035 173640341 /nfs/dbraw/zinc/64/03/41/173640341.db2.gz WGWGZXCPXKSWCN-UHFFFAOYSA-N 1 0 274.191 3.840 10 0 CHAERO CCCC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000037738332 173658690 /nfs/dbraw/zinc/65/86/90/173658690.db2.gz XFFKJHSWXQYAJY-BBRMVZONSA-N 1 0 265.372 3.683 10 0 CHAERO CCCCCCN(CCCCCC)C(=O)C[C@@H](C)[NH3+] ZINC000037814517 173762249 /nfs/dbraw/zinc/76/22/49/173762249.db2.gz JCPHTMGNXGWNRH-OAHLLOKOSA-N 1 0 270.461 3.713 10 0 CHAERO CCOc1ccc(-c2ccc(F)c(C[NH2+]C)c2)cc1 ZINC000038070383 174081626 /nfs/dbraw/zinc/08/16/26/174081626.db2.gz XAMNJKGNGGTSRB-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2cc(F)ccc2OC)c1 ZINC000038073394 174083354 /nfs/dbraw/zinc/08/33/54/174083354.db2.gz AHOKUZJOTIKNFH-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO CC[C@H]([NH3+])c1cccc(-c2ccc(OC)cc2F)c1 ZINC000038073776 174083846 /nfs/dbraw/zinc/08/38/46/174083846.db2.gz YTPQCTDTHAVYFA-INIZCTEOSA-N 1 0 259.324 3.911 10 0 CHAERO Cc1cc(C)cc(C[C@H]([NH3+])c2ccc(C)c(F)c2)c1 ZINC000038077373 174087703 /nfs/dbraw/zinc/08/77/03/174087703.db2.gz DBQKCXZYVDHMCT-KRWDZBQOSA-N 1 0 257.352 3.993 10 0 CHAERO CCC[NH2+][C@@H](c1cccnc1)c1ccccc1Cl ZINC000038078545 174088547 /nfs/dbraw/zinc/08/85/47/174088547.db2.gz FEHNXGSDVSWFEN-HNNXBMFYSA-N 1 0 260.768 3.824 10 0 CHAERO CC(C)CCC[NH2+][C@H](c1cccs1)c1nccn1C ZINC000038093644 174107674 /nfs/dbraw/zinc/10/76/74/174107674.db2.gz DFAZMVYYKZTSSO-CQSZACIVSA-N 1 0 277.437 3.597 10 0 CHAERO CC(C)[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccs1 ZINC000038096258 174110267 /nfs/dbraw/zinc/11/02/67/174110267.db2.gz MZVJTQVTXGBIFR-TZMCWYRMSA-N 1 0 253.411 3.604 10 0 CHAERO Clc1ccccc1C1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC000038096150 174110527 /nfs/dbraw/zinc/11/05/27/174110527.db2.gz WYHYAXOBBWVCOK-JXQTWKCFSA-N 1 0 279.811 3.745 10 0 CHAERO CC(C)(C)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000038128370 174131866 /nfs/dbraw/zinc/13/18/66/174131866.db2.gz RWZRXGGGPMYJOS-LBPRGKRZSA-N 1 0 270.214 3.755 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1F)c1cc(F)cc(F)c1 ZINC000038135603 174133147 /nfs/dbraw/zinc/13/31/47/174133147.db2.gz SUNGSPUICORGIU-HNNXBMFYSA-N 1 0 265.278 3.607 10 0 CHAERO C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000039789091 174173780 /nfs/dbraw/zinc/17/37/80/174173780.db2.gz CYEXQBGPLAYRKC-TYNCELHUSA-N 1 0 266.816 3.603 10 0 CHAERO CC1CCC(CNCc2ccccc2)([NH+]2CCCC2)CC1 ZINC000040165698 174197467 /nfs/dbraw/zinc/19/74/67/174197467.db2.gz OBAUNXPUQRTFLL-UHFFFAOYSA-N 1 0 286.463 3.821 10 0 CHAERO CC(C)c1nc2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404149 174253644 /nfs/dbraw/zinc/25/36/44/174253644.db2.gz KTISFHXELAYMIS-UHFFFAOYSA-N 1 0 279.815 3.765 10 0 CHAERO CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1CCC[NH3+] ZINC000040417752 174256293 /nfs/dbraw/zinc/25/62/93/174256293.db2.gz NLHHMHBQZWKRCD-UHFFFAOYSA-N 1 0 299.340 3.602 10 0 CHAERO Clc1ccccc1-c1nc(C[NH2+]C2CC2)cs1 ZINC000040419326 174256900 /nfs/dbraw/zinc/25/69/00/174256900.db2.gz PCGBTHAKMHVYBB-UHFFFAOYSA-N 1 0 264.781 3.716 10 0 CHAERO Cc1ccc(C[NH2+][C@H](C)c2sc(C)nc2C)s1 ZINC000040445845 174265241 /nfs/dbraw/zinc/26/52/41/174265241.db2.gz XIAMBUCNOKCGEK-SECBINFHSA-N 1 0 266.435 3.981 10 0 CHAERO CC(C)[NH2+]Cc1cnc(-c2ccccc2Cl)s1 ZINC000040997134 174446637 /nfs/dbraw/zinc/44/66/37/174446637.db2.gz KIBOPVNPZFHNQD-UHFFFAOYSA-N 1 0 266.797 3.962 10 0 CHAERO CCc1ccc(C[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000041323698 174520290 /nfs/dbraw/zinc/52/02/90/174520290.db2.gz UEMROHCRAKPBIG-GOSISDBHSA-N 1 0 253.389 3.609 10 0 CHAERO Fc1ccc(NCC[NH+]2CCCCCC2)cc1Cl ZINC000041392837 174545790 /nfs/dbraw/zinc/54/57/90/174545790.db2.gz FRHXCGPLMJWXGI-UHFFFAOYSA-N 1 0 270.779 3.767 10 0 CHAERO c1cc2c(cc1OCCC[NH2+]C1CCCC1)CCCC2 ZINC000041410108 174548716 /nfs/dbraw/zinc/54/87/16/174548716.db2.gz ABDVINXUZRPBDV-UHFFFAOYSA-N 1 0 273.420 3.867 10 0 CHAERO Cc1cccc(COc2ccc(C[NH3+])cc2Cl)c1 ZINC000042303171 174678893 /nfs/dbraw/zinc/67/88/93/174678893.db2.gz PVQAMBIKUISMAP-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO Cc1ccc([C@H](N)C[N@@H+](C)[C@@H](C)CC(C)C)cc1C ZINC000042580867 174805238 /nfs/dbraw/zinc/80/52/38/174805238.db2.gz UFWZUBVGXVQQFC-DOTOQJQBSA-N 1 0 262.441 3.670 10 0 CHAERO CCC[NH2+]Cc1ccccc1N(CC1CC1)C(C)C ZINC000042588927 174810731 /nfs/dbraw/zinc/81/07/31/174810731.db2.gz IZZMJWWDPWZTPG-UHFFFAOYSA-N 1 0 260.425 3.811 10 0 CHAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000042903205 174906471 /nfs/dbraw/zinc/90/64/71/174906471.db2.gz WQCMPMKEDCWKLA-ABAIWWIYSA-N 1 0 261.752 3.807 10 0 CHAERO Cc1ccc(O[C@H](c2ccccc2)[C@@H](C)[NH3+])c(C)c1 ZINC000042903053 174906719 /nfs/dbraw/zinc/90/67/19/174906719.db2.gz QZCUNHBHGFGGKA-PBHICJAKSA-N 1 0 255.361 3.771 10 0 CHAERO Cc1csc(S[C@H](c2ccc(C)cc2)[C@@H](C)[NH3+])n1 ZINC000042912074 174910531 /nfs/dbraw/zinc/91/05/31/174910531.db2.gz IFBWKYSQKTWIES-YPMHNXCESA-N 1 0 278.446 3.941 10 0 CHAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1)c1ccc(F)cc1 ZINC000042916315 174916381 /nfs/dbraw/zinc/91/63/81/174916381.db2.gz IJQFGVKYKBKZLS-JKSUJKDBSA-N 1 0 259.324 3.683 10 0 CHAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)n1cc(Cl)cn1 ZINC000042947556 174921966 /nfs/dbraw/zinc/92/19/66/174921966.db2.gz ALIOIMXDZLQPHP-STQMWFEESA-N 1 0 284.190 3.517 10 0 CHAERO C[C@H]([NH3+])[C@H](OC1CCCC1)c1ccc(Cl)cc1 ZINC000042947753 174922827 /nfs/dbraw/zinc/92/28/27/174922827.db2.gz YSFUAQGHAHHLKJ-HZMBPMFUSA-N 1 0 253.773 3.688 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000042948393 174922830 /nfs/dbraw/zinc/92/28/30/174922830.db2.gz GNVRNSXVLYGDFW-MEBBXXQBSA-N 1 0 279.742 3.946 10 0 CHAERO C[C@@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042948747 174922974 /nfs/dbraw/zinc/92/29/74/174922974.db2.gz ZKOGDGYPGMFPBE-UGFHNGPFSA-N 1 0 267.800 3.935 10 0 CHAERO Cc1cccc([C@@H](SCc2ccco2)[C@H](C)[NH3+])c1 ZINC000042970036 174932968 /nfs/dbraw/zinc/93/29/68/174932968.db2.gz BPJBNZMVNUXKJF-WFASDCNBSA-N 1 0 261.390 3.910 10 0 CHAERO [NH3+]C[C@@H](Sc1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000042974633 174937927 /nfs/dbraw/zinc/93/79/27/174937927.db2.gz WSDXWCSDXUCDHE-CQSZACIVSA-N 1 0 283.318 3.896 10 0 CHAERO Cc1nnc(S[C@H](c2cccc(Cl)c2)[C@H](C)[NH3+])s1 ZINC000043019584 174944879 /nfs/dbraw/zinc/94/48/79/174944879.db2.gz MXZPRSNQIILQRG-CPCISQLKSA-N 1 0 299.852 3.681 10 0 CHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1Cl)c1ccccc1F ZINC000043046903 174957489 /nfs/dbraw/zinc/95/74/89/174957489.db2.gz JDAHQEDBKLZKAD-BONVTDFDSA-N 1 0 279.742 3.946 10 0 CHAERO C[C@H](O[C@@H](C[NH3+])c1ccccc1F)c1ccccc1 ZINC000043047816 174957514 /nfs/dbraw/zinc/95/75/14/174957514.db2.gz TWVHGBGTYNJPBO-LRDDRELGSA-N 1 0 259.324 3.603 10 0 CHAERO [NH3+]C[C@@H](Oc1cccc(F)c1)c1ccccc1Cl ZINC000043087210 174962653 /nfs/dbraw/zinc/96/26/53/174962653.db2.gz USEOFNPLNZNIPR-CQSZACIVSA-N 1 0 265.715 3.558 10 0 CHAERO [NH3+]C[C@H](OCc1cccs1)c1ccccc1Cl ZINC000043088772 174963426 /nfs/dbraw/zinc/96/34/26/174963426.db2.gz QMWOAFYQDUXKEA-ZDUSSCGKSA-N 1 0 267.781 3.618 10 0 CHAERO CC[C@H]([NH3+])[C@H](Sc1nccn1C)c1ccccc1Cl ZINC000043088945 174963638 /nfs/dbraw/zinc/96/36/38/174963638.db2.gz VTSRBZOBHLFCGM-QWHCGFSZSA-N 1 0 295.839 3.644 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Sc1nccn1C)c1ccccc1Cl ZINC000043088951 174963782 /nfs/dbraw/zinc/96/37/82/174963782.db2.gz VTSRBZOBHLFCGM-STQMWFEESA-N 1 0 295.839 3.644 10 0 CHAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)Cc1cccs1 ZINC000043103743 174968816 /nfs/dbraw/zinc/96/88/16/174968816.db2.gz MRAFSZZUQXWFPA-TZMCWYRMSA-N 1 0 280.462 3.720 10 0 CHAERO C[C@H]([NH3+])[C@@H](OC1CCCCCC1)c1cccs1 ZINC000043112033 174974462 /nfs/dbraw/zinc/97/44/62/174974462.db2.gz UFIZVZUIRZAGEE-SMDDNHRTSA-N 1 0 253.411 3.876 10 0 CHAERO [NH3+][C@@H](c1ccccc1Br)C1CCCC1 ZINC000043560760 175066581 /nfs/dbraw/zinc/06/65/81/175066581.db2.gz KBVJZUMFSTYCHG-GFCCVEGCSA-N 1 0 254.171 3.639 10 0 CHAERO [NH3+][C@H]1CCCCC[C@H]1Cc1ccc(Br)s1 ZINC000043650484 175085373 /nfs/dbraw/zinc/08/53/73/175085373.db2.gz PUMQXAVZCFOUDD-ONGXEEELSA-N 1 0 288.254 3.961 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000043650363 175085484 /nfs/dbraw/zinc/08/54/84/175085484.db2.gz QJVSJDMKXJBTFZ-QMTHXVAHSA-N 1 0 255.764 3.929 10 0 CHAERO CCCCN(CCCC)c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000044461533 175177779 /nfs/dbraw/zinc/17/77/79/175177779.db2.gz IJWXITLYBIYDII-OAHLLOKOSA-N 1 0 262.441 3.983 10 0 CHAERO COc1ccc(-c2nc(C)c(C[NH2+]C(C)C)s2)cc1 ZINC000045205719 175327893 /nfs/dbraw/zinc/32/78/93/175327893.db2.gz VYJBOZZJIQIYQD-UHFFFAOYSA-N 1 0 276.405 3.625 10 0 CHAERO Cc1nc(-c2ccccc2C)sc1C[NH2+]C1CC1 ZINC000045205720 175327954 /nfs/dbraw/zinc/32/79/54/175327954.db2.gz NPMXNYHUTKWRQC-UHFFFAOYSA-N 1 0 258.390 3.679 10 0 CHAERO C[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000057353165 175594121 /nfs/dbraw/zinc/59/41/21/175594121.db2.gz QLZSTKMBZKWGOP-UHFFFAOYSA-N 1 0 264.372 3.717 10 0 CHAERO FC(F)(F)c1cc([C@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000066346095 175757850 /nfs/dbraw/zinc/75/78/50/175757850.db2.gz ZMWPYDPOZCXCRL-ZETCQYMHSA-N 1 0 283.215 3.801 10 0 CHAERO Cc1cc(C)nc(S[C@@H](C[NH2+]C(C)(C)C)C(C)C)n1 ZINC000071137950 176036452 /nfs/dbraw/zinc/03/64/52/176036452.db2.gz TULKUSFWHNLLRW-ZDUSSCGKSA-N 1 0 281.469 3.598 10 0 CHAERO C[NH2+]Cc1ccc(Oc2cc(F)ccc2F)c(F)c1 ZINC000071168087 176049395 /nfs/dbraw/zinc/04/93/95/176049395.db2.gz SUIHNUSWUOHXOK-UHFFFAOYSA-N 1 0 267.250 3.616 10 0 CHAERO CCC[NH2+]CCC[C@H](C)Oc1cc(F)ccc1F ZINC000071168807 176049983 /nfs/dbraw/zinc/04/99/83/176049983.db2.gz FNVOXZIIWDREEC-NSHDSACASA-N 1 0 257.324 3.512 10 0 CHAERO CC[NH2+][C@H](C)c1cnn(Cc2cccc(Cl)c2)c1C ZINC000071193864 176076019 /nfs/dbraw/zinc/07/60/19/176076019.db2.gz FSCMQCQAZHAVKX-LLVKDONJSA-N 1 0 277.799 3.564 10 0 CHAERO COc1ccc(C2CC([NH2+][C@@H]3CCC[C@@H]3C)C2)cc1 ZINC000071206345 176079916 /nfs/dbraw/zinc/07/99/16/176079916.db2.gz DVQKIYMCRFUJHZ-UEPNXXICSA-N 1 0 259.393 3.719 10 0 CHAERO C[C@@H](c1cccs1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268770 176102124 /nfs/dbraw/zinc/10/21/24/176102124.db2.gz WZZSOIWEIZGHEM-VIFPVBQESA-N 1 0 260.337 3.789 10 0 CHAERO CCc1ccc(COc2ccc(C)cc2C[NH3+])cc1 ZINC000071403227 176154613 /nfs/dbraw/zinc/15/46/13/176154613.db2.gz NCMOFDSRYWCETM-UHFFFAOYSA-N 1 0 255.361 3.595 10 0 CHAERO CC[NH2+]Cc1cc(C)ccc1OCc1cccs1 ZINC000071406021 176155935 /nfs/dbraw/zinc/15/59/35/176155935.db2.gz PXOWWVXYXYWGFE-UHFFFAOYSA-N 1 0 261.390 3.745 10 0 CHAERO Cc1ccc(OCC(F)F)c(C[NH2+]C(C)(C)C)c1 ZINC000071407212 176156332 /nfs/dbraw/zinc/15/63/32/176156332.db2.gz PYZKGDWVDZQYRD-UHFFFAOYSA-N 1 0 257.324 3.527 10 0 CHAERO [NH3+][C@H](c1c[nH]c2ccc(Br)cc21)C1CCC1 ZINC000071488235 176189837 /nfs/dbraw/zinc/18/98/37/176189837.db2.gz JKQBLTDNWRIWAQ-ZDUSSCGKSA-N 1 0 279.181 3.730 10 0 CHAERO CC(C)(C)c1ccc(-c2nc3ccc(C[NH3+])cc3[nH]2)cc1 ZINC000071630471 176235983 /nfs/dbraw/zinc/23/59/83/176235983.db2.gz QZVIDZHKGQRFIP-UHFFFAOYSA-N 1 0 279.387 3.986 10 0 CHAERO COc1cc2c(cc1OC)C1(CCCC1)C[NH2+][C@@H]2C1CC1 ZINC000071643897 176239549 /nfs/dbraw/zinc/23/95/49/176239549.db2.gz YXIAMXJSTWXHAO-QGZVFWFLSA-N 1 0 287.403 3.570 10 0 CHAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@@H]2c1ccccn1 ZINC000071650235 176240406 /nfs/dbraw/zinc/24/04/06/176240406.db2.gz YYUOSVYIGWMTMH-SFHVURJKSA-N 1 0 294.398 3.595 10 0 CHAERO COc1cccc([C@@H]2[NH2+]CC(C)(C)c3cc(OC)ccc32)c1 ZINC000071652000 176241763 /nfs/dbraw/zinc/24/17/63/176241763.db2.gz MGJHTBHUSJOSDG-SFHVURJKSA-N 1 0 297.398 3.674 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2Cc1ccc(F)cc1 ZINC000071653316 176242122 /nfs/dbraw/zinc/24/21/22/176242122.db2.gz MAHRPNYINMJLJQ-SFHVURJKSA-N 1 0 299.389 3.999 10 0 CHAERO CCCCc1ccc([C@H](C[NH3+])c2ccccn2)cc1 ZINC000076658308 177046776 /nfs/dbraw/zinc/04/67/76/177046776.db2.gz RVKRHXQYPQJSMY-INIZCTEOSA-N 1 0 254.377 3.515 10 0 CHAERO Cc1ccccc1OC[C@H](CC[NH3+])c1ccccc1 ZINC000076660471 177048650 /nfs/dbraw/zinc/04/86/50/177048650.db2.gz HEIIRVAIZUDAOH-INIZCTEOSA-N 1 0 255.361 3.506 10 0 CHAERO Cc1cc([C@@H](CC[NH3+])CCc2ccccc2)c(C)[nH]1 ZINC000076663279 177049883 /nfs/dbraw/zinc/04/98/83/177049883.db2.gz XWGQFQCQFRYNTJ-MRXNPFEDSA-N 1 0 256.393 3.697 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccco1)c1cc(F)ccc1F ZINC000076680809 177058452 /nfs/dbraw/zinc/05/84/52/177058452.db2.gz GYBRBDIQYIFTOE-LLVKDONJSA-N 1 0 265.303 3.623 10 0 CHAERO CC(C)Oc1ccc([C@H](CC[NH3+])C2CCC2)cc1F ZINC000076681713 177058902 /nfs/dbraw/zinc/05/89/02/177058902.db2.gz NQZZLSHFWIOVFX-CQSZACIVSA-N 1 0 265.372 3.845 10 0 CHAERO [NH3+]CC[C@@H](CCc1cccc(Cl)c1)c1ccncc1 ZINC000076722156 177069749 /nfs/dbraw/zinc/06/97/49/177069749.db2.gz VBQFTBSHMIKRHQ-CQSZACIVSA-N 1 0 274.795 3.800 10 0 CHAERO Brc1ccc(CC[C@H]2CCCCC[NH2+]2)s1 ZINC000076729114 177071582 /nfs/dbraw/zinc/07/15/82/177071582.db2.gz KGTDYWSCFPGTCM-SNVBAGLBSA-N 1 0 288.254 3.975 10 0 CHAERO C[NH2+][C@@H](C)c1csc(Cc2ccc(Cl)cc2)n1 ZINC000076732841 177073946 /nfs/dbraw/zinc/07/39/46/177073946.db2.gz JRDVOYIYZSWALP-VIFPVBQESA-N 1 0 266.797 3.668 10 0 CHAERO COCc1c2ccc(C)c(C)c2oc1C[NH2+]CC(C)C ZINC000077070388 177185944 /nfs/dbraw/zinc/18/59/44/177185944.db2.gz SJLMBELVSVYJSL-UHFFFAOYSA-N 1 0 275.392 3.942 10 0 CHAERO CCC[NH2+]Cc1oc2c(cc(C)cc2C)c1COC ZINC000077071099 177187124 /nfs/dbraw/zinc/18/71/24/177187124.db2.gz USSAEGKUAHFFHZ-UHFFFAOYSA-N 1 0 261.365 3.696 10 0 CHAERO COCc1cc([C@H](C)[NH2+][C@H](C)C(C)C)ccc1OC ZINC000035660731 260033605 /nfs/dbraw/zinc/03/36/05/260033605.db2.gz JYPKMNITJHJJLU-OLZOCXBDSA-N 1 0 265.397 3.537 10 0 CHAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccccc1Cl ZINC000036281592 260036274 /nfs/dbraw/zinc/03/62/74/260036274.db2.gz MJQIELHJHDIHBV-UHFFFAOYSA-N 1 0 288.778 3.702 10 0 CHAERO CC[C@H]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)C1 ZINC000078005396 260167939 /nfs/dbraw/zinc/16/79/39/260167939.db2.gz OHFBAEFTXBLBBG-GJZGRUSLSA-N 1 0 271.408 3.513 10 0 CHAERO c1cc(C[NH2+]C2CCC(c3ccccc3)CC2)c[nH]1 ZINC000090994326 260264280 /nfs/dbraw/zinc/26/42/80/260264280.db2.gz QGQWDXDULUKGHN-UHFFFAOYSA-N 1 0 254.377 3.831 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000091023674 260265149 /nfs/dbraw/zinc/26/51/49/260265149.db2.gz NRKNSNMXOMYPNU-NSHDSACASA-N 1 0 264.319 3.637 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)c2ccccc21 ZINC000211732303 260268818 /nfs/dbraw/zinc/26/88/18/260268818.db2.gz UAPSWNYPRBXPCP-KEYYUXOJSA-N 1 0 259.393 3.641 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@H](C)CCO)c1ccccc1 ZINC000093248989 260273397 /nfs/dbraw/zinc/27/33/97/260273397.db2.gz TUYRUXJHISYQBL-DNVCBOLYSA-N 1 0 283.415 3.693 10 0 CHAERO CCCCN(CCCC)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130124718 260394049 /nfs/dbraw/zinc/39/40/49/260394049.db2.gz CJUXXFGANMMKGK-WBVHZDCISA-N 1 0 290.451 3.751 10 0 CHAERO CCc1ccc(C[NH2+][C@H](C)c2cncc(F)c2)s1 ZINC000156294824 261119219 /nfs/dbraw/zinc/11/92/19/261119219.db2.gz GGRPPPYTFUMAHC-SNVBAGLBSA-N 1 0 264.369 3.695 10 0 CHAERO CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccccc1 ZINC000300410699 261198876 /nfs/dbraw/zinc/19/88/76/261198876.db2.gz JPUYOPIDWNSQLA-YESZJQIVSA-N 1 0 261.409 3.669 10 0 CHAERO CCc1nccn1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000106212092 261322641 /nfs/dbraw/zinc/32/26/41/261322641.db2.gz YSAJOQBJIQYWKO-MRXNPFEDSA-N 1 0 275.440 3.663 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000309824860 262028489 /nfs/dbraw/zinc/02/84/89/262028489.db2.gz XDMLACFRWAMTCT-BIGNPOOSSA-N 1 0 280.209 3.825 10 0 CHAERO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000186082673 262078189 /nfs/dbraw/zinc/07/81/89/262078189.db2.gz KUNNBAZDYYKXMD-DGCLKSJQSA-N 1 0 289.400 3.931 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1C ZINC000020553010 262250277 /nfs/dbraw/zinc/25/02/77/262250277.db2.gz MXNAFQXYUBPLKA-UXLLHSPISA-N 1 0 261.409 3.830 10 0 CHAERO C[C@@H](CCCC[NH3+])Nc1ncc(C(F)(F)F)cc1Cl ZINC000311503429 262337215 /nfs/dbraw/zinc/33/72/15/262337215.db2.gz XLPQFVLAHSKMQU-QMMMGPOBSA-N 1 0 295.736 3.683 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccc(F)c1Cl)CC2 ZINC000093190919 263119202 /nfs/dbraw/zinc/11/92/02/263119202.db2.gz AYHZTMVOAPJWNO-CJNGLKHVSA-N 1 0 297.801 3.606 10 0 CHAERO Brc1ccc(C[NH2+]C2CCC2)c2ncccc12 ZINC000160322627 264242257 /nfs/dbraw/zinc/24/22/57/264242257.db2.gz IACRVZOOTNPBRM-UHFFFAOYSA-N 1 0 291.192 3.639 10 0 CHAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956701 264338033 /nfs/dbraw/zinc/33/80/33/264338033.db2.gz ZMNVTASBGXTFSF-SJORKVTESA-N 1 0 288.435 3.560 10 0 CHAERO C[C@H]1CC[C@H]([NH2+]Cc2cncs2)c2ccccc21 ZINC000132251315 264386690 /nfs/dbraw/zinc/38/66/90/264386690.db2.gz OQLZCTFQFKKMQT-NHYWBVRUSA-N 1 0 258.390 3.871 10 0 CHAERO C[C@@H](c1ccc(Cl)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094448218 265242691 /nfs/dbraw/zinc/24/26/91/265242691.db2.gz ITVXQRNLXRCRSO-WCQYABFASA-N 1 0 299.245 3.834 10 0 CHAERO C[C@@H]([NH2+]CC1(C)COC1)c1c(Cl)ccc(F)c1Cl ZINC000094721593 265249802 /nfs/dbraw/zinc/24/98/02/265249802.db2.gz ZXWOVGNBBWHHPN-MRVPVSSYSA-N 1 0 292.181 3.820 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1F ZINC000094952938 265277851 /nfs/dbraw/zinc/27/78/51/265277851.db2.gz ARKCQDCBULEMAQ-QRTARXTBSA-N 1 0 279.399 3.988 10 0 CHAERO CC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)C(C)C ZINC000096543858 265373513 /nfs/dbraw/zinc/37/35/13/265373513.db2.gz PYZGVDYVBYITMZ-ZDUSSCGKSA-N 1 0 265.788 3.512 10 0 CHAERO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)C1CCCC1 ZINC000168462033 266662344 /nfs/dbraw/zinc/66/23/44/266662344.db2.gz FADNAQJOXKUCFL-CYBMUJFWSA-N 1 0 278.465 3.885 10 0 CHAERO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)nn1 ZINC000335179824 335087498 /nfs/dbraw/zinc/08/74/98/335087498.db2.gz PLUJNCXROLJFTN-YVEFUNNKSA-N 1 0 267.376 3.513 10 0 CHAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)nc1 ZINC000126991282 327640902 /nfs/dbraw/zinc/64/09/02/327640902.db2.gz AJDUPZIZDHHPOG-HNNXBMFYSA-N 1 0 254.377 3.858 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(Cl)nc1 ZINC000179095877 327799227 /nfs/dbraw/zinc/79/92/27/327799227.db2.gz YBSYGRSWJPPBFT-BXUZGUMPSA-N 1 0 288.778 3.909 10 0 CHAERO C[C@H]([NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000187759524 328301828 /nfs/dbraw/zinc/30/18/28/328301828.db2.gz UZUUGPDJXQMYPW-XOYOTBSWSA-N 1 0 273.420 3.654 10 0 CHAERO CC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C(C)C ZINC000049127909 328341605 /nfs/dbraw/zinc/34/16/05/328341605.db2.gz OGAIJVOMAJDKND-LJQANCHMSA-N 1 0 288.479 3.718 10 0 CHAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)CC2CC2)c1 ZINC000070101303 328390695 /nfs/dbraw/zinc/39/06/95/328390695.db2.gz XUBOYQRTXDPQTJ-VXGBXAGGSA-N 1 0 263.381 3.543 10 0 CHAERO COc1cc(C[NH2+][C@@H](C)C(C)C)c(SC)cc1OC ZINC000077988413 326923969 /nfs/dbraw/zinc/92/39/69/326923969.db2.gz NHMKQYPLYZKIEP-NSHDSACASA-N 1 0 283.437 3.560 10 0 CHAERO CCC[C@@H]([NH2+][C@@H](C)c1ncc(C)o1)C1CCCC1 ZINC000313421054 327128547 /nfs/dbraw/zinc/12/85/47/327128547.db2.gz DKOBYAZYYVWDGE-GXTWGEPZSA-N 1 0 250.386 3.993 10 0 CHAERO 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CC(C)[C@@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000178215659 333069394 /nfs/dbraw/zinc/06/93/94/333069394.db2.gz DXRHMNYMQOKZHZ-VOMCLLRMSA-N 1 0 251.336 3.989 10 0 CHAERO CCCCCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1 ZINC000089164465 333095346 /nfs/dbraw/zinc/09/53/46/333095346.db2.gz LXZNEGUMWBDDAB-AEFFLSMTSA-N 1 0 291.435 3.506 10 0 CHAERO CCCC(CCC)[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186311002 333158384 /nfs/dbraw/zinc/15/83/84/333158384.db2.gz RGVIHZBHMQDTFA-HOTGVXAUSA-N 1 0 283.456 3.519 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+]CC2(CC)CCCC2)C12CCOCC2 ZINC000186387658 333159947 /nfs/dbraw/zinc/15/99/47/333159947.db2.gz BJKKHUJGCCFNSB-JKSUJKDBSA-N 1 0 295.467 3.521 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccco2)CC(C)(C)C1 ZINC000186561167 333162781 /nfs/dbraw/zinc/16/27/81/333162781.db2.gz RYLQSWXBWPNYTE-MCIONIFRSA-N 1 0 265.397 3.508 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187260572 333169194 /nfs/dbraw/zinc/16/91/94/333169194.db2.gz DANYCPRKFRHWON-CABCVRRESA-N 1 0 293.476 3.713 10 0 CHAERO Cc1cnc([C@H](C)NCc2ccc(C(F)(F)F)cc2)o1 ZINC000220898463 333170351 /nfs/dbraw/zinc/17/03/51/333170351.db2.gz IOIAFYDAXODRDF-JTQLQIEISA-N 1 0 284.281 3.853 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)[C@@H]1CCCO1 ZINC000187496192 333171748 /nfs/dbraw/zinc/17/17/48/333171748.db2.gz NRMKFGSKRGNJHI-CWSCBRNRSA-N 1 0 271.763 3.697 10 0 CHAERO C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2[NH3+] ZINC000253596799 333185771 /nfs/dbraw/zinc/18/57/71/333185771.db2.gz WDTAJXMIXADUTH-QDVBXKBISA-N 1 0 291.479 3.717 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cc(Cl)sc1Cl ZINC000222685696 333198769 /nfs/dbraw/zinc/19/87/69/333198769.db2.gz PHAICKWOKUGIDM-ZXFLCMHBSA-N 1 0 280.220 3.883 10 0 CHAERO CCC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccc1 ZINC000223846324 333212691 /nfs/dbraw/zinc/21/26/91/333212691.db2.gz JPUYOPIDWNSQLA-IKGGRYGDSA-N 1 0 261.409 3.669 10 0 CHAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000224862535 333226674 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CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000230617855 333319291 /nfs/dbraw/zinc/31/92/91/333319291.db2.gz SFMUASBPRYXPLJ-OLMNPRSZSA-N 1 0 275.436 3.729 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CCc2cccc(C)c2)o1 ZINC000231900974 333331682 /nfs/dbraw/zinc/33/16/82/333331682.db2.gz OYAOCNJRYFCOON-HIFRSBDPSA-N 1 0 272.392 3.963 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]C2CCC(C(F)(F)F)CC2)o1 ZINC000231901141 333331738 /nfs/dbraw/zinc/33/17/38/333331738.db2.gz GORCBZNIHZNBRU-KPPDAEKUSA-N 1 0 276.302 3.755 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000233307364 333351154 /nfs/dbraw/zinc/35/11/54/333351154.db2.gz KMUMOIVRAMEJEZ-BXKDBHETSA-N 1 0 286.188 3.866 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CCCC1 ZINC000235204996 333366636 /nfs/dbraw/zinc/36/66/36/333366636.db2.gz JICTTXWVHRBSOF-PXAZEXFGSA-N 1 0 259.393 3.938 10 0 CHAERO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000126507434 333598878 /nfs/dbraw/zinc/59/88/78/333598878.db2.gz GDZOBPOYFDDBSM-OCCSQVGLSA-N 1 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COC[C@@H](C)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000249463511 334334452 /nfs/dbraw/zinc/33/44/52/334334452.db2.gz GCBDUYKDGHIUGT-UONOGXRCSA-N 1 0 296.480 3.728 10 0 CHAERO C[C@H]([NH2+]CCCc1nc2ccccc2n1C)C1CCCC1 ZINC000090050322 334356370 /nfs/dbraw/zinc/35/63/70/334356370.db2.gz FNXJGUMROIQAEZ-AWEZNQCLSA-N 1 0 285.435 3.674 10 0 CHAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000252107062 334373709 /nfs/dbraw/zinc/37/37/09/334373709.db2.gz HDQMQEXMKLQKFL-FMKPAKJESA-N 1 0 286.419 3.510 10 0 CHAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(-c2ccccc2)cc1 ZINC000091416067 334378066 /nfs/dbraw/zinc/37/80/66/334378066.db2.gz NYOQSCAZRGIEBQ-TZGCNFNXSA-N 1 0 281.399 3.775 10 0 CHAERO CC[C@@H]([NH2+]CC1CC(O)C1)c1ccc(Cl)c(Cl)c1 ZINC000091524115 334379694 /nfs/dbraw/zinc/37/96/94/334379694.db2.gz IMHQECXLKFJZPR-PFMWSLTASA-N 1 0 288.218 3.805 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1C ZINC000252728641 334386876 /nfs/dbraw/zinc/38/68/76/334386876.db2.gz CCYPWMQHHLMELG-LALPHHSUSA-N 1 0 263.429 3.749 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000271986416 334748880 /nfs/dbraw/zinc/74/88/80/334748880.db2.gz YHADTMXWVXTZCX-PGUXBMHVSA-N 1 0 269.335 3.573 10 0 CHAERO Cc1nnsc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000384223655 336122722 /nfs/dbraw/zinc/12/27/22/336122722.db2.gz FOOQBWOGXYJZFH-OAHLLOKOSA-N 1 0 287.432 3.650 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@@H]1C ZINC000385966436 336163539 /nfs/dbraw/zinc/16/35/39/336163539.db2.gz ONOZFOVZWAXALP-RJZRQDKASA-N 1 0 259.393 3.923 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1Cc1cccc(Cl)c1 ZINC000062671493 519274292 /nfs/dbraw/zinc/27/42/92/519274292.db2.gz QGLWGNJCUDNQQN-CZUORRHYSA-N 1 0 280.843 3.548 10 0 CHAERO CC(C)CC[N@H+](C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000053930708 519650793 /nfs/dbraw/zinc/65/07/93/519650793.db2.gz XZJGYNWOCLIMTM-LSDHHAIUSA-N 1 0 267.457 3.996 10 0 CHAERO CC(C)C[NH2+]Cc1nc2c(s1)CCc1sccc1-2 ZINC000061800343 519749045 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520022845 /nfs/dbraw/zinc/02/28/45/520022845.db2.gz VCCDLZABSZYIAX-HUUCEWRRSA-N 1 0 267.800 3.777 10 0 CHAERO CC[NH2+]Cc1oc(COc2ccc(C)cc2)cc1C ZINC000052649770 520030161 /nfs/dbraw/zinc/03/01/61/520030161.db2.gz MRAIPJWDEHUPMW-UHFFFAOYSA-N 1 0 259.349 3.585 10 0 CHAERO CCC[NH2+][C@H](C)[C@@H](CC)CCCOCC(F)(F)F ZINC000049312837 520063359 /nfs/dbraw/zinc/06/33/59/520063359.db2.gz KTRKVBGQEREVQI-NEPJUHHUSA-N 1 0 269.351 3.760 10 0 CHAERO CC[NH2+][C@@H](c1nc(C)c(C)s1)c1ccc(F)cc1C ZINC000050580444 520115251 /nfs/dbraw/zinc/11/52/51/520115251.db2.gz BIWNGMMSVFLJBO-CQSZACIVSA-N 1 0 278.396 3.906 10 0 CHAERO CCO[C@H](C[NH3+])CCSc1ccc(C(C)C)cc1 ZINC000062741915 520517480 /nfs/dbraw/zinc/51/74/80/520517480.db2.gz ZPSVYRKUOOYUBK-AWEZNQCLSA-N 1 0 267.438 3.656 10 0 CHAERO CCC[C@H](C)[NH2+]CCSc1nc2ccccc2o1 ZINC000053610476 521061125 /nfs/dbraw/zinc/06/11/25/521061125.db2.gz XDYOVAMEXWQBKV-NSHDSACASA-N 1 0 264.394 3.698 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@H](CC)N1Cc2ccccc2C1 ZINC000050911070 521157577 /nfs/dbraw/zinc/15/75/77/521157577.db2.gz FGOWAZPUXVFHLW-IRXDYDNUSA-N 1 0 260.425 3.559 10 0 CHAERO CCN([C@@H](C[NH2+]C(C)(C)C)C(C)C)C1CCCC1 ZINC000052457544 521471631 /nfs/dbraw/zinc/47/16/31/521471631.db2.gz OAPSMXKQHNRTRO-HNNXBMFYSA-N 1 0 254.462 3.664 10 0 CHAERO CCCc1nc(N2CCCC[C@@H]2CC)sc1C[NH2+]C ZINC000054996574 521530962 /nfs/dbraw/zinc/53/09/62/521530962.db2.gz ZDOQWPWBCOYPSZ-LBPRGKRZSA-N 1 0 281.469 3.584 10 0 CHAERO C[NH2+]Cc1ccoc1COc1c(C)cc(Cl)cc1C ZINC000052651351 522143817 /nfs/dbraw/zinc/14/38/17/522143817.db2.gz LCDFHJPYQGUPRL-UHFFFAOYSA-N 1 0 279.767 3.848 10 0 CHAERO C[NH2+][C@H](C)c1sc(N(C)[C@H](C)C(C)(C)C)nc1C ZINC000054906384 522456117 /nfs/dbraw/zinc/45/61/17/522456117.db2.gz KLKFNLVFLBHJSM-MWLCHTKSSA-N 1 0 269.458 3.603 10 0 CHAERO CC(C)(C)[NH2+]Cc1ccccc1N1CCCSCC1 ZINC000062736836 518765930 /nfs/dbraw/zinc/76/59/30/518765930.db2.gz RFMKQLWKDVDBCB-UHFFFAOYSA-N 1 0 278.465 3.518 10 0 CHAERO CC(C)C[C@@H]1C[N@H+](C2CCCC2)[C@H](CC(C)C)CN1 ZINC000062663217 519270460 /nfs/dbraw/zinc/27/04/60/519270460.db2.gz GMIIJBCTMAAOQO-NVXWUHKLSA-N 1 0 266.473 3.664 10 0 CHAERO CC(C)C[C@@H]1C[N@H+](CC(C)C)[C@H](Cc2ccccc2)CN1 ZINC000062705187 519272075 /nfs/dbraw/zinc/27/20/75/519272075.db2.gz YPEMHFDLDJVWRE-RTBURBONSA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)C[C@@H]1C[N@H+](C2CCCC2)[C@H](c2ccccc2)CN1 ZINC000062673061 519272283 /nfs/dbraw/zinc/27/22/83/519272283.db2.gz SCUDYBPWCKUOCS-MJGOQNOKSA-N 1 0 286.463 3.990 10 0 CHAERO CC(C)C[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1C1CCCC1 ZINC000062663224 519274258 /nfs/dbraw/zinc/27/42/58/519274258.db2.gz GMIIJBCTMAAOQO-DOTOQJQBSA-N 1 0 266.473 3.664 10 0 CHAERO CC(C)C[C@H]1CN(Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062671512 519414724 /nfs/dbraw/zinc/41/47/24/519414724.db2.gz ZDCHDFBZPSVELH-INIZCTEOSA-N 1 0 280.843 3.550 10 0 CHAERO CC(C)C[C@H]1CNC(C)(C)C[N@@H+]1CCCc1ccccc1 ZINC000062705133 519415533 /nfs/dbraw/zinc/41/55/33/519415533.db2.gz CXWRAKUTBGJCNQ-SFHVURJKSA-N 1 0 288.479 3.718 10 0 CHAERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000054594467 519725801 /nfs/dbraw/zinc/72/58/01/519725801.db2.gz VFWUJVDFWDHOKX-PWSUYJOCSA-N 1 0 257.299 3.807 10 0 CHAERO CC(C)[NH2+]Cc1c(Cl)n(C(C)(C)C)nc1C(F)(F)F ZINC000057354241 519726232 /nfs/dbraw/zinc/72/62/32/519726232.db2.gz AQPQXQXAJNKFHM-UHFFFAOYSA-N 1 0 297.752 3.808 10 0 CHAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000054594470 519726424 /nfs/dbraw/zinc/72/64/24/519726424.db2.gz VFWUJVDFWDHOKX-ZYHUDNBSSA-N 1 0 257.299 3.807 10 0 CHAERO CC(C)[NH2+][C@@H](c1nc(C(C)C)cs1)C1CCOCC1 ZINC000052179518 519735292 /nfs/dbraw/zinc/73/52/92/519735292.db2.gz IDGSXMPWIQMLPC-CQSZACIVSA-N 1 0 282.453 3.732 10 0 CHAERO CC(C)C[NH2+]C[C@@H](CCCOCC(F)(F)F)C(C)C ZINC000052972793 519744885 /nfs/dbraw/zinc/74/48/85/519744885.db2.gz KNFHEQOENXHNCQ-CYBMUJFWSA-N 1 0 283.378 3.863 10 0 CHAERO CC(C)C[NH2+]C[C@H](Cc1cccc(F)c1)C(C)C ZINC000052972736 519746162 /nfs/dbraw/zinc/74/61/62/519746162.db2.gz CXRKWNVMPOCKRQ-HNNXBMFYSA-N 1 0 251.389 3.886 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000054597690 519746389 /nfs/dbraw/zinc/74/63/89/519746389.db2.gz DIJGSIPPFFTXPG-OCCSQVGLSA-N 1 0 269.335 3.637 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000054597888 519746429 /nfs/dbraw/zinc/74/64/29/519746429.db2.gz NZNOPGUGIGLXBY-NVXWUHKLSA-N 1 0 261.409 3.823 10 0 CHAERO CC(C)C[NH2+]Cc1ccc(CO[C@H](C)CC(C)C)o1 ZINC000052603351 519747121 /nfs/dbraw/zinc/74/71/21/519747121.db2.gz ZFXUVUGCEUVGKV-CQSZACIVSA-N 1 0 267.413 3.976 10 0 CHAERO CC(C)C[NH2+]Cc1nc2cccc(Cl)c2n1C1CC1 ZINC000062742479 519749015 /nfs/dbraw/zinc/74/90/15/519749015.db2.gz VBWDBTWAEWAYGJ-UHFFFAOYSA-N 1 0 277.799 3.770 10 0 CHAERO CC(C)OCCC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000054636252 519756683 /nfs/dbraw/zinc/75/66/83/519756683.db2.gz KCJRNZBFFLDBBQ-UHFFFAOYSA-N 1 0 255.446 3.983 10 0 CHAERO CC(C)CO[C@@H](C[NH2+]C(C)(C)C)c1cccc(F)c1 ZINC000050492191 519759639 /nfs/dbraw/zinc/75/96/39/519759639.db2.gz WPYDBQUKMMCQOC-HNNXBMFYSA-N 1 0 267.388 3.928 10 0 CHAERO CC(C)[C@@H](C[NH2+]C1CC1)Cc1cccc(Cl)c1 ZINC000052972383 519794826 /nfs/dbraw/zinc/79/48/26/519794826.db2.gz GYWXKKYEFUVUCM-CYBMUJFWSA-N 1 0 251.801 3.907 10 0 CHAERO CC(C)[C@H](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)[NH3+] ZINC000061686218 519816739 /nfs/dbraw/zinc/81/67/39/519816739.db2.gz YKERDEHTVMOHFE-MFKMUULPSA-N 1 0 275.314 3.747 10 0 CHAERO CC(C)c1ccc([C@@H](O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000054681755 519839288 /nfs/dbraw/zinc/83/92/88/519839288.db2.gz DQWYSYCSWKYRHA-DLBZAZTESA-N 1 0 255.361 3.543 10 0 CHAERO CCCC1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000050892968 519902549 /nfs/dbraw/zinc/90/25/49/519902549.db2.gz LITSRCTTWXGBMG-INIZCTEOSA-N 1 0 280.843 3.852 10 0 CHAERO CCCC1CCN([C@@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000050892954 519902829 /nfs/dbraw/zinc/90/28/29/519902829.db2.gz XKRYARZHGSJCAP-LBPRGKRZSA-N 1 0 286.872 3.913 10 0 CHAERO CC[NH2+]CC1(Cc2ccccc2OC)CCCCC1 ZINC000054654898 519913476 /nfs/dbraw/zinc/91/34/76/519913476.db2.gz CRFFHBFNLAESJL-UHFFFAOYSA-N 1 0 261.409 3.798 10 0 CHAERO CCC[NH2+]C[C@@H](C(C)C)N(C)Cc1ccc(Cl)s1 ZINC000052508822 519920071 /nfs/dbraw/zinc/92/00/71/519920071.db2.gz SKCBODJDDMLZBN-ZDUSSCGKSA-N 1 0 288.888 3.858 10 0 CHAERO CCC[NH2+]C[C@@H](OCCC)c1ccc(Cl)cc1 ZINC000050482649 519921739 /nfs/dbraw/zinc/92/17/39/519921739.db2.gz CGINNWVNBDLSTJ-CQSZACIVSA-N 1 0 255.789 3.807 10 0 CHAERO CCC[NH2+]C[C@H](Cc1cnc(C)s1)CC(C)C ZINC000062337432 519932977 /nfs/dbraw/zinc/93/29/77/519932977.db2.gz UQLUKDAXAYRCFI-ZDUSSCGKSA-N 1 0 254.443 3.656 10 0 CHAERO CC[NH2+]C[C@@H](Cc1ccsc1)Cc1ccccc1F ZINC000052979215 519946074 /nfs/dbraw/zinc/94/60/74/519946074.db2.gz OAPPJMIVHFGIHG-AWEZNQCLSA-N 1 0 277.408 3.898 10 0 CHAERO CC[NH2+]C[C@@H](O[C@H](C)CC(C)C)c1ccc(F)cc1 ZINC000050488948 519949780 /nfs/dbraw/zinc/94/97/80/519949780.db2.gz TWGBBMCCQXZICX-CZUORRHYSA-N 1 0 267.388 3.928 10 0 CHAERO CCC[NH2+]Cc1cnn(-c2c(C)cc(C)cc2C)c1C ZINC000055265785 519966068 /nfs/dbraw/zinc/96/60/68/519966068.db2.gz OXACZDPENPRRMR-UHFFFAOYSA-N 1 0 271.408 3.606 10 0 CHAERO CC[NH2+]C[C@H](CCCOC)Cc1ccc(Cl)cc1 ZINC000052975240 519971487 /nfs/dbraw/zinc/97/14/87/519971487.db2.gz YEQDIXULCNBTKY-CQSZACIVSA-N 1 0 269.816 3.535 10 0 CHAERO CC[NH2+]C[C@H](CCOCC)Cc1ccccc1Cl ZINC000052979575 519972007 /nfs/dbraw/zinc/97/20/07/519972007.db2.gz IKKPXJJUXBAAPH-CYBMUJFWSA-N 1 0 269.816 3.535 10 0 CHAERO CCC[NH2+]Cc1sc(N(C)C[C@H](C)CC)nc1CC ZINC000054997099 519974557 /nfs/dbraw/zinc/97/45/57/519974557.db2.gz XNTPHVARSMNRJE-GFCCVEGCSA-N 1 0 283.485 3.687 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCC(C)CC2)nc1CCC ZINC000054995088 519975497 /nfs/dbraw/zinc/97/54/97/519975497.db2.gz GTPVUFSWYPPYFQ-UHFFFAOYSA-N 1 0 295.496 3.832 10 0 CHAERO CCC[NH2+][C@@H](C)[C@@H](CC)CCCOCC(F)(F)F ZINC000049312836 519987481 /nfs/dbraw/zinc/98/74/81/519987481.db2.gz KTRKVBGQEREVQI-RYUDHWBXSA-N 1 0 269.351 3.760 10 0 CHAERO CC[NH2+]Cc1ccc(-c2cccc(COC)c2)s1 ZINC000049510999 519993575 /nfs/dbraw/zinc/99/35/75/519993575.db2.gz DNKOYHKHVKTTFI-UHFFFAOYSA-N 1 0 261.390 3.671 10 0 CHAERO CC[NH2+]Cc1ccc(COC2CCC(C)CC2)cc1 ZINC000052619386 519995404 /nfs/dbraw/zinc/99/54/04/519995404.db2.gz DIKZKJRURXPOQU-UHFFFAOYSA-N 1 0 261.409 3.891 10 0 CHAERO CC[NH2+]Cc1ccc(OC[C@H](C)CC)c(Cl)c1 ZINC000050424067 520000243 /nfs/dbraw/zinc/00/02/43/520000243.db2.gz BDGQFZJHUZQDJZ-LLVKDONJSA-N 1 0 255.789 3.874 10 0 CHAERO CCC[NH2+][C@@H](CCOC)c1ccc(OCCC)cc1 ZINC000055264238 520002484 /nfs/dbraw/zinc/00/24/84/520002484.db2.gz LQXPDXUPXKXHKV-INIZCTEOSA-N 1 0 265.397 3.553 10 0 CHAERO CC[NH2+]Cc1ccccc1COc1ccccc1F ZINC000052663954 520008245 /nfs/dbraw/zinc/00/82/45/520008245.db2.gz OYXBYSUGDPUNAF-UHFFFAOYSA-N 1 0 259.324 3.514 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(CC)s1)[C@@H]1CCCCO1 ZINC000050962378 520015663 /nfs/dbraw/zinc/01/56/63/520015663.db2.gz GNYOAOFNGWBNAP-DZGCQCFKSA-N 1 0 267.438 3.920 10 0 CHAERO CC[NH2+]Cc1cnc(-c2ccc(F)c(Cl)c2)s1 ZINC000062792766 520015808 /nfs/dbraw/zinc/01/58/08/520015808.db2.gz WVALJWXQJHLAES-UHFFFAOYSA-N 1 0 270.760 3.712 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000062233567 520016798 /nfs/dbraw/zinc/01/67/98/520016798.db2.gz LTNBVJWLVWAATB-ZFWWWQNUSA-N 1 0 267.800 3.807 10 0 CHAERO CCOCC[C@@H](C[NH2+]CC(C)C)Cc1ccccc1 ZINC000052953351 520064281 /nfs/dbraw/zinc/06/42/81/520064281.db2.gz MLPHFUSJHFYGGS-QGZVFWFLSA-N 1 0 263.425 3.518 10 0 CHAERO CCCCCC[N@@H+]1CC(C)(C)NC[C@H]1c1ccccc1 ZINC000062668229 520076156 /nfs/dbraw/zinc/07/61/56/520076156.db2.gz UZAMMEPHESQTNX-KRWDZBQOSA-N 1 0 274.452 3.992 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(SC2CCOCC2)cc1 ZINC000062054640 520077786 /nfs/dbraw/zinc/07/77/86/520077786.db2.gz KVASZUUNJFOXGG-LBPRGKRZSA-N 1 0 265.422 3.628 10 0 CHAERO CCCCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062664755 520078730 /nfs/dbraw/zinc/07/87/30/520078730.db2.gz UIECTYRNPOLRLD-IRXDYDNUSA-N 1 0 268.489 3.911 10 0 CHAERO CCC[NH2+][C@H](Cc1nc(C)cs1)c1ccc(F)cc1 ZINC000055269328 520089284 /nfs/dbraw/zinc/08/92/84/520089284.db2.gz MGJSKVSMFCTPSY-CQSZACIVSA-N 1 0 278.396 3.874 10 0 CHAERO CC[NH2+][C@@H](CCOC)Cc1c(Cl)cccc1Cl ZINC000053832911 520090432 /nfs/dbraw/zinc/09/04/32/520090432.db2.gz OMPPOIUAPOIHHH-JTQLQIEISA-N 1 0 276.207 3.551 10 0 CHAERO CCC[NH2+][C@H]1CCC[C@H]1CCCOCC(F)(F)F ZINC000049312855 520093155 /nfs/dbraw/zinc/09/31/55/520093155.db2.gz IUDBXQSBRUKPPT-RYUDHWBXSA-N 1 0 267.335 3.514 10 0 CHAERO CCCCCCOc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860338 520105836 /nfs/dbraw/zinc/10/58/36/520105836.db2.gz IWVWEWNWQQRRFI-UHFFFAOYSA-N 1 0 254.761 3.583 10 0 CHAERO CCCCC[N@H+](C)C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054558984 520151749 /nfs/dbraw/zinc/15/17/49/520151749.db2.gz LLQXLWMYEOUIAS-HUUCEWRRSA-N 1 0 253.430 3.750 10 0 CHAERO CCCCCN(c1nc(CC)c(C[NH3+])s1)C(C)C ZINC000055000684 520177372 /nfs/dbraw/zinc/17/73/72/520177372.db2.gz BNPKXYPXAJTVCJ-UHFFFAOYSA-N 1 0 269.458 3.569 10 0 CHAERO CC[NH2+][C@H](C)c1cccc(OCc2cnc(C)s2)c1 ZINC000062336669 520179960 /nfs/dbraw/zinc/17/99/60/520179960.db2.gz YOQPMYMLHHAFCL-LLVKDONJSA-N 1 0 276.405 3.701 10 0 CHAERO CC[NH2+][C@H](Cc1cc(C)ccc1C)c1ccncc1 ZINC000049258205 520202373 /nfs/dbraw/zinc/20/23/73/520202373.db2.gz YTVFWVYYYFQFMN-QGZVFWFLSA-N 1 0 254.377 3.592 10 0 CHAERO CC[NH2+][C@H](Cc1cccs1)Cc1cccc(F)c1F ZINC000060707065 520204799 /nfs/dbraw/zinc/20/47/99/520204799.db2.gz NHLLEGDYIUDPBK-LBPRGKRZSA-N 1 0 281.371 3.790 10 0 CHAERO CC[NH2+][C@H](c1ccc2c(c1)CCO2)C1=CCCCC1 ZINC000050892196 520209389 /nfs/dbraw/zinc/20/93/89/520209389.db2.gz HLUYHHUGYDFVHN-KRWDZBQOSA-N 1 0 257.377 3.773 10 0 CHAERO CC[NH2+][C@H](c1csc2ccccc12)[C@@H]1CCCOC1 ZINC000062233164 520212558 /nfs/dbraw/zinc/21/25/58/520212558.db2.gz NRPRWIXMBSIUPZ-WBMJQRKESA-N 1 0 275.417 3.979 10 0 CHAERO CC[NH2+][C@H]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000049345954 520216075 /nfs/dbraw/zinc/21/60/75/520216075.db2.gz XUTXXILFGMLNJN-HZMBPMFUSA-N 1 0 255.764 3.800 10 0 CHAERO CCCOc1ccc([C@]2(C)C[C@H]2C[NH2+]C(C)C)cc1 ZINC000054595298 520436147 /nfs/dbraw/zinc/43/61/47/520436147.db2.gz YSRPJSSWHJQISS-RDJZCZTQSA-N 1 0 261.409 3.751 10 0 CHAERO CC1(C)CN(Cc2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000062673252 520473698 /nfs/dbraw/zinc/47/36/98/520473698.db2.gz SCCRENAYOVKZOT-UHFFFAOYSA-N 1 0 287.234 3.567 10 0 CHAERO CCCCN(CC)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052418870 520481091 /nfs/dbraw/zinc/48/10/91/520481091.db2.gz TXWKHPYJGCRVCS-QGZVFWFLSA-N 1 0 260.425 3.602 10 0 CHAERO CCCCN(c1nc(CC)c(C[NH2+]CC)s1)C1CC1 ZINC000054999219 520551589 /nfs/dbraw/zinc/55/15/89/520551589.db2.gz GEKPAOAUROEBOJ-UHFFFAOYSA-N 1 0 281.469 3.584 10 0 CHAERO CCC[C@@H](C)COc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746276 520632396 /nfs/dbraw/zinc/63/23/96/520632396.db2.gz INJVIIIVVYJVBL-NEPJUHHUSA-N 1 0 253.361 3.921 10 0 CHAERO CCCC[NH2+]CCn1ccc2ccc(Cl)cc21 ZINC000053528973 520691682 /nfs/dbraw/zinc/69/16/82/520691682.db2.gz BHCMECXSBYHBKM-UHFFFAOYSA-N 1 0 250.773 3.684 10 0 CHAERO CCC[C@@H](CCCOCC(F)(F)F)C[NH2+]C(C)C ZINC000052970244 520696305 /nfs/dbraw/zinc/69/63/05/520696305.db2.gz HMWXRPZWQUAPCA-LBPRGKRZSA-N 1 0 269.351 3.760 10 0 CHAERO CCCCOc1cc(OC)ccc1C[NH2+]CC(C)C ZINC000062733188 520848616 /nfs/dbraw/zinc/84/86/16/520848616.db2.gz BQGMEZZBIQWOSM-UHFFFAOYSA-N 1 0 265.397 3.620 10 0 CHAERO CCC[C@H](C)C[C@H](Cc1nc(C)cs1)[NH2+]CC ZINC000055269025 521025752 /nfs/dbraw/zinc/02/57/52/521025752.db2.gz DILWQSZMOOAIGU-WCQYABFASA-N 1 0 254.443 3.798 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@@H](CC)N1Cc2ccccc2C1 ZINC000050911068 521155966 /nfs/dbraw/zinc/15/59/66/521155966.db2.gz FGOWAZPUXVFHLW-DLBZAZTESA-N 1 0 260.425 3.559 10 0 CHAERO CC[N@H+](Cc1cc2ccccc2nc1NC)C(C)C ZINC000050812815 521296744 /nfs/dbraw/zinc/29/67/44/521296744.db2.gz OYCKHYAOPLYUJU-UHFFFAOYSA-N 1 0 257.381 3.507 10 0 CHAERO CCC(C)(C)OCc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052630422 521359314 /nfs/dbraw/zinc/35/93/14/521359314.db2.gz RQXFLRRHGCZYOY-UHFFFAOYSA-N 1 0 270.442 3.736 10 0 CHAERO CCC(CC)(C[NH2+]CCOC)Cc1cccc(Cl)c1 ZINC000054658958 521442549 /nfs/dbraw/zinc/44/25/49/521442549.db2.gz OPMCGASZXAAXLF-UHFFFAOYSA-N 1 0 283.843 3.925 10 0 CHAERO CCN(c1cc(Cl)ccc1C[NH3+])C1CCCC1 ZINC000062786800 521478378 /nfs/dbraw/zinc/47/83/78/521478378.db2.gz LXXQVYCSCFZUTH-UHFFFAOYSA-N 1 0 252.789 3.568 10 0 CHAERO CCCN(CC(F)(F)F)c1ccc(Cl)cc1C[NH3+] ZINC000052857589 521587569 /nfs/dbraw/zinc/58/75/69/521587569.db2.gz YMDFCSYDKIUYGF-UHFFFAOYSA-N 1 0 280.721 3.577 10 0 CHAERO CCCN(CCC)c1nc(C)c([C@H](C)[NH2+]CC)s1 ZINC000054901195 521650655 /nfs/dbraw/zinc/65/06/55/521650655.db2.gz AAHFRQBVVQXODV-NSHDSACASA-N 1 0 269.458 3.748 10 0 CHAERO CCCN(CCC)c1nc(C)c([C@@H](C)[NH2+]CC)s1 ZINC000054901194 521651218 /nfs/dbraw/zinc/65/12/18/521651218.db2.gz AAHFRQBVVQXODV-LLVKDONJSA-N 1 0 269.458 3.748 10 0 CHAERO C[NH2+]C(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1 ZINC000055226463 521948579 /nfs/dbraw/zinc/94/85/79/521948579.db2.gz YPBMQSPVUYRPED-UHFFFAOYSA-N 1 0 269.241 3.552 10 0 CHAERO C[NH2+]CC1(OCCCc2ccccc2)CCCCC1 ZINC000050501959 521971688 /nfs/dbraw/zinc/97/16/88/521971688.db2.gz PTIOHTROAUQFSF-UHFFFAOYSA-N 1 0 261.409 3.558 10 0 CHAERO C[NH2+]CC1(O[C@@H]2CCC[C@@H](C)C2)CCCCCC1 ZINC000050497851 521971747 /nfs/dbraw/zinc/97/17/47/521971747.db2.gz MAUHWFSIUGYDNH-HUUCEWRRSA-N 1 0 253.430 3.894 10 0 CHAERO C[NH2+]C[C@@H](Cc1cccs1)Cc1cccc(C)c1 ZINC000052976298 522033827 /nfs/dbraw/zinc/03/38/27/522033827.db2.gz IHCCKJPESZFLLY-OAHLLOKOSA-N 1 0 259.418 3.677 10 0 CHAERO C[NH2+]C[C@H](OCc1ccccc1)c1ccccc1Cl ZINC000050488091 522078255 /nfs/dbraw/zinc/07/82/55/522078255.db2.gz YZYFABSJYGDCIB-INIZCTEOSA-N 1 0 275.779 3.817 10 0 CHAERO CC[C@@H](C)N(CC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052458356 522085701 /nfs/dbraw/zinc/08/57/01/522085701.db2.gz BONCEONOIKEYPL-PBHICJAKSA-N 1 0 260.425 3.600 10 0 CHAERO C[NH2+][C@@H](C)c1ccccc1OCCc1cccs1 ZINC000049585798 522336398 /nfs/dbraw/zinc/33/63/98/522336398.db2.gz FMKISAYLXULSTJ-LBPRGKRZSA-N 1 0 261.390 3.650 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1cc(C)ccc1F ZINC000052984106 522361996 /nfs/dbraw/zinc/36/19/96/522361996.db2.gz RHHWLWQPOYMFIU-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1F)c1cc(C)ccc1F ZINC000052984046 522362430 /nfs/dbraw/zinc/36/24/30/522362430.db2.gz YTIWBQCUVRLOIO-INIZCTEOSA-N 1 0 261.315 3.776 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccc(F)cc1C ZINC000055223387 522368002 /nfs/dbraw/zinc/36/80/02/522368002.db2.gz SJWLYHUUHUGXQG-HNNXBMFYSA-N 1 0 265.278 3.721 10 0 CHAERO C[NH2+][C@@H]1CCC[C@H]1CCOc1cccc(Br)c1 ZINC000049597073 522387916 /nfs/dbraw/zinc/38/79/16/522387916.db2.gz AJNLEOXDIYQNNN-SMDDNHRTSA-N 1 0 298.224 3.606 10 0 CHAERO C[NH2+][C@H](Cc1cccc(C)c1)c1cc(C)ccc1F ZINC000052984108 522473024 /nfs/dbraw/zinc/47/30/24/522473024.db2.gz RHHWLWQPOYMFIU-QGZVFWFLSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1F)c1cccc(F)c1 ZINC000050885899 522473338 /nfs/dbraw/zinc/47/33/38/522473338.db2.gz UQOOWZFFYAFTCL-OAHLLOKOSA-N 1 0 265.278 3.607 10 0 CHAERO C[NH2+][C@H](Cc1cc(Cl)ccc1OC)C1CCCC1 ZINC000053830124 522473863 /nfs/dbraw/zinc/47/38/63/522473863.db2.gz XKJMWVNLKALJKQ-CQSZACIVSA-N 1 0 267.800 3.669 10 0 CHAERO C[NH2+][C@H](Cc1nc(C)cs1)c1ccc(C)cc1C ZINC000055268181 522475308 /nfs/dbraw/zinc/47/53/08/522475308.db2.gz PMJAVLCJHWTZSI-CQSZACIVSA-N 1 0 260.406 3.572 10 0 CHAERO C[NH2+][C@H](c1cc(Cl)ccc1OC)C1CCCC1 ZINC000055225250 522477452 /nfs/dbraw/zinc/47/74/52/522477452.db2.gz MBUQOSVZRJXENY-AWEZNQCLSA-N 1 0 253.773 3.799 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(OC)c(F)c1 ZINC000061668900 522478415 /nfs/dbraw/zinc/47/84/15/522478415.db2.gz BTLMSXPJIDQMJM-HNNXBMFYSA-N 1 0 279.380 3.821 10 0 CHAERO C[NH2+][C@H]1CCC[C@H]1CCOc1ccc(Br)cc1 ZINC000049597070 522499637 /nfs/dbraw/zinc/49/96/37/522499637.db2.gz KUYFKGIVRMSFKN-FZMZJTMJSA-N 1 0 298.224 3.606 10 0 CHAERO CC[C@@H](C[NH2+]C1CC1)Cc1ccc(F)cc1Cl ZINC000052973795 522545113 /nfs/dbraw/zinc/54/51/13/522545113.db2.gz UASIFKUPENGDAW-SNVBAGLBSA-N 1 0 255.764 3.800 10 0 CHAERO CC[C@@H](C[NH2+]CC(C)C)Oc1cccc(Cl)c1 ZINC000052674310 522548308 /nfs/dbraw/zinc/54/83/08/522548308.db2.gz UPSWDTFTVCWJSX-ZDUSSCGKSA-N 1 0 255.789 3.743 10 0 CHAERO CNc1ccc(Cl)c(C[N@H+](C)C2CCC(C)CC2)n1 ZINC000061638869 522620848 /nfs/dbraw/zinc/62/08/48/522620848.db2.gz WAONIZPKYJPZTI-UHFFFAOYSA-N 1 0 281.831 3.787 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000049127490 522934886 /nfs/dbraw/zinc/93/48/86/522934886.db2.gz OBXZMYOWTMXHIA-TZMCWYRMSA-N 1 0 295.423 3.798 10 0 CHAERO CC[C@H]1CCCC[C@@H]1OCC[NH2+]CCc1ccsc1 ZINC000053552671 523050358 /nfs/dbraw/zinc/05/03/58/523050358.db2.gz DGTCBJFROQXUEI-HOTGVXAUSA-N 1 0 281.465 3.866 10 0 CHAERO CC[C@H]1CSC(N[C@@H](C)c2cccc(Cl)c2)=[NH+]1 ZINC000049526521 523357343 /nfs/dbraw/zinc/35/73/43/523357343.db2.gz PSLLVMBIQXDRFJ-CABZTGNLSA-N 1 0 268.813 3.872 10 0 CHAERO COCCC[C@H](C[NH2+]C(C)C)Cc1cccc(C)c1 ZINC000052976619 523493124 /nfs/dbraw/zinc/49/31/24/523493124.db2.gz UOXRKWSZNUKUBO-KRWDZBQOSA-N 1 0 263.425 3.578 10 0 CHAERO COc1ccc(Br)cc1C[C@H]([NH3+])C1CCCC1 ZINC000049599792 523502868 /nfs/dbraw/zinc/50/28/68/523502868.db2.gz PJDLWDPLSGXXQB-ZDUSSCGKSA-N 1 0 298.224 3.518 10 0 CHAERO CC[C@@H]1CSC(N[C@@H](C)c2cc(C)sc2C)=[NH+]1 ZINC000049510477 523519575 /nfs/dbraw/zinc/51/95/75/523519575.db2.gz BSTBSXPAVKUNDT-GXSJLCMTSA-N 1 0 268.451 3.897 10 0 CHAERO COc1ccc(C)cc1CC(C)(C)C[NH2+]CC(C)C ZINC000054638592 523804983 /nfs/dbraw/zinc/80/49/83/523804983.db2.gz RTPGNLISOMYVTD-UHFFFAOYSA-N 1 0 263.425 3.818 10 0 CHAERO CCc1ccc(N(C)CCC[C@H]2CCCC[NH2+]2)cc1 ZINC000050954181 523957861 /nfs/dbraw/zinc/95/78/61/523957861.db2.gz JQKMFMDTMDPSCC-MRXNPFEDSA-N 1 0 260.425 3.608 10 0 CHAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)s1 ZINC000049161433 523968763 /nfs/dbraw/zinc/96/87/63/523968763.db2.gz WLVWKNIWLPVKJH-XQQFMLRXSA-N 1 0 253.411 3.665 10 0 CHAERO CC[C@H](C)[NH2+]CCC(=O)c1ccc2c(c1)CCCC2 ZINC000049848012 524004063 /nfs/dbraw/zinc/00/40/63/524004063.db2.gz KWJLLJKTPGXMQU-ZDUSSCGKSA-N 1 0 259.393 3.526 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)s1 ZINC000249774084 524046897 /nfs/dbraw/zinc/04/68/97/524046897.db2.gz VHBMRKCOXNUTBK-GMXVVIOVSA-N 1 0 253.411 3.529 10 0 CHAERO COc1cccc([C@H]([NH3+])c2ccc(Cl)cc2F)c1 ZINC000062785931 524160290 /nfs/dbraw/zinc/16/02/90/524160290.db2.gz JZOBMQYGYYRJFC-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO COc1cccc([C@](C)([NH3+])Cc2ccc(Cl)s2)c1 ZINC000053757513 524191294 /nfs/dbraw/zinc/19/12/94/524191294.db2.gz ZQVCNXACMXWBTP-CQSZACIVSA-N 1 0 281.808 3.827 10 0 CHAERO COc1ccc(Cl)cc1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000055231190 524254185 /nfs/dbraw/zinc/25/41/85/524254185.db2.gz VTPHBYPUGXZKOM-AAEUAGOBSA-N 1 0 253.773 3.724 10 0 CHAERO C[C@@H]1CCC[C@@H](N(C)c2cc(Cl)ccc2C[NH3+])C1 ZINC000062786921 524302209 /nfs/dbraw/zinc/30/22/09/524302209.db2.gz FDDILKLMXSRMBB-BXUZGUMPSA-N 1 0 266.816 3.814 10 0 CHAERO C[C@@H]1CCC[C@H](n2c(N)[nH+]c3ccc(F)c(F)c32)C1 ZINC000053169858 524413105 /nfs/dbraw/zinc/41/31/05/524413105.db2.gz OCYZCFFZYJRIAC-BDAKNGLRSA-N 1 0 265.307 3.648 10 0 CHAERO C[C@@H]1CCC[C@]([NH3+])(c2ccccc2OC(F)(F)F)C1 ZINC000055193463 524432842 /nfs/dbraw/zinc/43/28/42/524432842.db2.gz VWWVHQWYKLEKBF-ZWNOBZJWSA-N 1 0 273.298 3.949 10 0 CHAERO Cc1cccc(N2CC[C@H](C[NH2+]C(C)(C)C)C2)c1C ZINC000053012641 524565161 /nfs/dbraw/zinc/56/51/61/524565161.db2.gz OWRKNUUXDPKCCG-OAHLLOKOSA-N 1 0 260.425 3.518 10 0 CHAERO Cc1ccc(C[NH2+]CCN(C)c2cccc(C)c2)s1 ZINC000053427831 524575865 /nfs/dbraw/zinc/57/58/65/524575865.db2.gz HIPMONMODFYNJS-UHFFFAOYSA-N 1 0 274.433 3.591 10 0 CHAERO Cc1ccc(Cc2ncc(C[NH2+]CC(C)C)s2)cc1 ZINC000052331688 524695427 /nfs/dbraw/zinc/69/54/27/524695427.db2.gz BQNXOBIPZMQGPR-UHFFFAOYSA-N 1 0 274.433 3.788 10 0 CHAERO COc1ccccc1[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000281644712 524778746 /nfs/dbraw/zinc/77/87/46/524778746.db2.gz PERAOEFCRFRVSR-IHRRRGAJSA-N 1 0 277.408 3.549 10 0 CHAERO Cc1cccc([C@@H](C[NH2+]C2CC2)OCCC(C)C)c1 ZINC000050493331 524836420 /nfs/dbraw/zinc/83/64/20/524836420.db2.gz UFEDLVUHGZOFPP-QGZVFWFLSA-N 1 0 261.409 3.851 10 0 CHAERO Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156648825 524900909 /nfs/dbraw/zinc/90/09/09/524900909.db2.gz FZMQEYZOLGTMQP-UHFFFAOYSA-N 1 0 286.762 3.504 10 0 CHAERO C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C(C)(C)C[NH2+]1 ZINC000062668183 524992027 /nfs/dbraw/zinc/99/20/27/524992027.db2.gz OBFBRPBVDZDWEY-CQSZACIVSA-N 1 0 274.452 3.556 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1cccc(F)c1F ZINC000062615645 525023703 /nfs/dbraw/zinc/02/37/03/525023703.db2.gz LKMNWMIUGBXTKC-MRVPVSSYSA-N 1 0 267.250 3.916 10 0 CHAERO C[C@@H]([NH3+])c1cccc(OCc2ccc(F)cc2F)c1 ZINC000050871952 525029681 /nfs/dbraw/zinc/02/96/81/525029681.db2.gz MTZBBOTXGQXJLE-SNVBAGLBSA-N 1 0 263.287 3.564 10 0 CHAERO COc1ccc([C@@](C)([NH3+])Cc2ccc(Cl)s2)cc1 ZINC000053757286 525281141 /nfs/dbraw/zinc/28/11/41/525281141.db2.gz OGPXLBKUNVDQAW-AWEZNQCLSA-N 1 0 281.808 3.827 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(Cl)cc1 ZINC000049525516 525551681 /nfs/dbraw/zinc/55/16/81/525551681.db2.gz YZUBHRZIFKBTAE-GLQYFDAESA-N 1 0 267.800 3.684 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000126842920 525589188 /nfs/dbraw/zinc/58/91/88/525589188.db2.gz QIISEBCNADUPOZ-OKTBNZSVSA-N 1 0 259.180 3.635 10 0 CHAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccsc1 ZINC000050338863 525594981 /nfs/dbraw/zinc/59/49/81/525594981.db2.gz PBWJYGLMXYIGRV-XJKSGUPXSA-N 1 0 274.433 3.702 10 0 CHAERO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1occc1C ZINC000293389728 525609033 /nfs/dbraw/zinc/60/90/33/525609033.db2.gz IVNOLNOKKBSCPW-ZDUSSCGKSA-N 1 0 275.323 3.513 10 0 CHAERO Cc1ccc([C@@H]([NH2+]CCCCO)c2ccccc2)c(C)c1 ZINC000193276716 525771726 /nfs/dbraw/zinc/77/17/26/525771726.db2.gz DOEWXEBJSSRYDI-IBGZPJMESA-N 1 0 283.415 3.755 10 0 CHAERO Cc1ccc([C@@H](Sc2nc(C)cc(C)n2)[C@@H](C)[NH3+])s1 ZINC000051607166 525785585 /nfs/dbraw/zinc/78/55/85/525785585.db2.gz DLCXWVOMWBEQLU-YPMHNXCESA-N 1 0 293.461 3.644 10 0 CHAERO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)o1 ZINC000130942643 525802170 /nfs/dbraw/zinc/80/21/70/525802170.db2.gz BZBSYBOJCJYTPG-HNNXBMFYSA-N 1 0 256.349 3.710 10 0 CHAERO C[C@@H](Oc1cc(Cl)ccc1C(N)=[NH2+])c1ccccc1 ZINC000062789085 525915238 /nfs/dbraw/zinc/91/52/38/525915238.db2.gz SYXOQQMGRGEWAX-SNVBAGLBSA-N 1 0 274.751 3.764 10 0 CHAERO Cc1ccc2[nH]c(SCCC[NH2+]C(C)(C)C)nc2c1 ZINC000061440685 526255302 /nfs/dbraw/zinc/25/53/02/526255302.db2.gz JJYQGNWEAXDUAL-UHFFFAOYSA-N 1 0 277.437 3.742 10 0 CHAERO C[C@H]1CCCC[C@@H]1[NH2+]CCSCc1ccco1 ZINC000048436245 526258103 /nfs/dbraw/zinc/25/81/03/526258103.db2.gz RUYIPUFOXRHWIX-JSGCOSHPSA-N 1 0 253.411 3.681 10 0 CHAERO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000157019841 526347719 /nfs/dbraw/zinc/34/77/19/526347719.db2.gz ROVREXGQSQAREX-LLVKDONJSA-N 1 0 294.370 3.801 10 0 CHAERO Fc1cccc(Cl)c1-c1nc(C[NH2+]C2CC2)cs1 ZINC000052903522 526390279 /nfs/dbraw/zinc/39/02/79/526390279.db2.gz GIBHMEHSZDQDQU-UHFFFAOYSA-N 1 0 282.771 3.855 10 0 CHAERO Fc1cccc(F)c1-c1csc(C2CC[NH2+]CC2)n1 ZINC000053252410 526392638 /nfs/dbraw/zinc/39/26/38/526392638.db2.gz OOKANMDVXUVCFC-UHFFFAOYSA-N 1 0 280.343 3.555 10 0 CHAERO c1ccc(COC2CCCCC2)c(C[NH2+]C2CC2)c1 ZINC000052600424 526471549 /nfs/dbraw/zinc/47/15/49/526471549.db2.gz FVUJEABESYASAI-UHFFFAOYSA-N 1 0 259.393 3.788 10 0 CHAERO Cc1nocc1C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000293224296 526698060 /nfs/dbraw/zinc/69/80/60/526698060.db2.gz KFYXQIYOOYQBJD-ZBEGNZNMSA-N 1 0 256.349 3.711 10 0 CHAERO Cc1oc(C[NH3+])cc1CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629370 526770524 /nfs/dbraw/zinc/77/05/24/526770524.db2.gz GEUPZYPENLXKMT-RISCZKNCSA-N 1 0 265.397 3.778 10 0 CHAERO Cc1nc(N2CCC(C(C)(C)C)CC2)sc1[C@H](C)[NH3+] ZINC000054896251 526962731 /nfs/dbraw/zinc/96/27/31/526962731.db2.gz JRELQQMDKAPROX-JTQLQIEISA-N 1 0 281.469 3.734 10 0 CHAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)c1ccsc1 ZINC000061367223 527123303 /nfs/dbraw/zinc/12/33/03/527123303.db2.gz ZEIPAIAAZPUFAT-SECBINFHSA-N 1 0 257.362 3.598 10 0 CHAERO [NH3+]C[C@]1(Cc2cccs2)CCCc2ccccc21 ZINC000054637393 527242831 /nfs/dbraw/zinc/24/28/31/527242831.db2.gz SENHADLUAVZREW-MRXNPFEDSA-N 1 0 257.402 3.524 10 0 CHAERO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000050518348 527334958 /nfs/dbraw/zinc/33/49/58/527334958.db2.gz GZYJZEBXXAGDCI-NSHDSACASA-N 1 0 255.239 3.541 10 0 CHAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000052944409 527336391 /nfs/dbraw/zinc/33/63/91/527336391.db2.gz IIVRTLVEYMHLEM-AWEZNQCLSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@@H](Cc1cccc(F)c1F)c1ccc(Cl)cc1F ZINC000062786055 527336663 /nfs/dbraw/zinc/33/66/63/527336663.db2.gz FXIMOVHGTKXMCW-ZDUSSCGKSA-N 1 0 285.696 4.000 10 0 CHAERO [NH3+][C@H](Cc1cccnc1)c1cc(Cl)ccc1Cl ZINC000055228830 527389686 /nfs/dbraw/zinc/38/96/86/527389686.db2.gz SSUSYIDNEMEJDE-CYBMUJFWSA-N 1 0 267.159 3.631 10 0 CHAERO [NH3+][C@H](c1ccsc1)c1ccccc1OC(F)(F)F ZINC000055205793 527392182 /nfs/dbraw/zinc/39/21/82/527392182.db2.gz NRXPWKUYUDIKIV-LLVKDONJSA-N 1 0 273.279 3.695 10 0 CHAERO [NH3+][C@H](c1ccccc1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054682009 527392502 /nfs/dbraw/zinc/39/25/02/527392502.db2.gz XCSGDKTTZXDNCM-KGLIPLIRSA-N 1 0 282.170 3.727 10 0 CHAERO Cn1cccc1C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131252847 527398895 /nfs/dbraw/zinc/39/88/95/527398895.db2.gz YQJXUYAZXKQDJN-QGZVFWFLSA-N 1 0 296.414 3.951 10 0 CHAERO OCc1ccccc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000364775650 527637248 /nfs/dbraw/zinc/63/72/48/527637248.db2.gz HBLRVTJYONIUNP-UHFFFAOYSA-N 1 0 281.399 3.559 10 0 CHAERO FC(F)(F)c1ccccc1[C@H]1C[C@@H]1C[NH2+]C1CC1 ZINC000054595843 527687505 /nfs/dbraw/zinc/68/75/05/527687505.db2.gz KIIPRDFBYYTPLS-SKDRFNHKSA-N 1 0 255.283 3.561 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001665990 560183531 /nfs/dbraw/zinc/18/35/31/560183531.db2.gz ILMMSBJXXQIEEM-KGLIPLIRSA-N 1 0 282.170 3.727 10 0 in-vitro CHAERO CC[C@@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000036097928 566994508 /nfs/dbraw/zinc/99/45/08/566994508.db2.gz YTROOBZUBOBNLK-MRXNPFEDSA-N 1 0 291.366 3.500 10 0 CHAERO Brc1cccc([C@H]2[NH2+]CCc3sccc32)c1 ZINC000084704911 567033488 /nfs/dbraw/zinc/03/34/88/567033488.db2.gz DUZNXCADQGUBIT-CYBMUJFWSA-N 1 0 294.217 3.746 10 0 CHAERO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328631698 567120533 /nfs/dbraw/zinc/12/05/33/567120533.db2.gz RIPCXLLGQOOPLA-SZVBFZGTSA-N 1 0 299.414 3.968 10 0 CHAERO CCOc1ccc(C[NH2+]C2CCCC2)cc1Br ZINC000010474055 567861728 /nfs/dbraw/zinc/86/17/28/567861728.db2.gz LSGJGSBUILMORM-UHFFFAOYSA-N 1 0 298.224 3.880 10 0 CHAERO CCOc1c(Cl)cc(C[NH2+]CCCOC)cc1Cl ZINC000013722684 567867416 /nfs/dbraw/zinc/86/74/16/567867416.db2.gz FKIMJOQOESEHRT-UHFFFAOYSA-N 1 0 292.206 3.518 10 0 CHAERO C[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000019777248 567879217 /nfs/dbraw/zinc/87/92/17/567879217.db2.gz VVJYQCCXXTVMSG-UHFFFAOYSA-N 1 0 261.752 3.638 10 0 CHAERO C[C@H]([NH3+])CCc1cn(Cc2ccccc2)c2ccccc12 ZINC000024542854 567882266 /nfs/dbraw/zinc/88/22/66/567882266.db2.gz ZZWUHOZDPZGSHO-HNNXBMFYSA-N 1 0 278.399 3.969 10 0 CHAERO CCC[NH2+]Cc1cc(Br)ccc1OC(C)C ZINC000034659798 567888677 /nfs/dbraw/zinc/88/86/77/567888677.db2.gz FREDPWZQNVJKCG-UHFFFAOYSA-N 1 0 286.213 3.736 10 0 CHAERO CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000068591009 567900959 /nfs/dbraw/zinc/90/09/59/567900959.db2.gz KIMAVXXQFVORIO-KBPBESRZSA-N 1 0 298.471 3.706 10 0 CHAERO C[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474709 567939623 /nfs/dbraw/zinc/93/96/23/567939623.db2.gz QZUSKCZERQDWPL-UHFFFAOYSA-N 1 0 261.752 3.638 10 0 CHAERO C[C@@H]1CCC[N@@H+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000685960784 570406848 /nfs/dbraw/zinc/40/68/48/570406848.db2.gz CIYOGAUTLOVPJC-PBHICJAKSA-N 1 0 296.455 3.508 10 0 CHAERO c1ccc(CC[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000001640508 1118764382 /nfs/dbraw/zinc/76/43/82/1118764382.db2.gz OVZMZCMVCPKOQR-UHFFFAOYSA-N 1 0 276.383 3.769 10 0 CHAERO Cc1cccc2[nH]cc(CC[NH2+]Cc3cccnc3Cl)c21 ZINC000105429938 1123052366 /nfs/dbraw/zinc/05/23/66/1123052366.db2.gz MWDKJPGKNGGIIE-UHFFFAOYSA-N 1 0 299.805 3.857 10 0 CHAERO CC(C)c1nc(N2CCCC[C@H]2C)sc1C[NH2+]C1CC1 ZINC000082434782 178012332 /nfs/dbraw/zinc/01/23/32/178012332.db2.gz HZWGMCAHAXISEX-GFCCVEGCSA-N 1 0 293.480 3.897 10 0 CHAERO C[NH2+]Cc1sc(-c2ccccc2C)nc1C1CC1 ZINC000082435202 178012602 /nfs/dbraw/zinc/01/26/02/178012602.db2.gz UPZPIHJWYCMRMT-UHFFFAOYSA-N 1 0 258.390 3.715 10 0 CHAERO CC(C)[NH2+]Cc1sc(-c2ccncc2)nc1C1CC1 ZINC000082435711 178013469 /nfs/dbraw/zinc/01/34/69/178013469.db2.gz WICMPSUTISGASQ-UHFFFAOYSA-N 1 0 273.405 3.581 10 0 CHAERO CCCSCc1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000082439789 178017786 /nfs/dbraw/zinc/01/77/86/178017786.db2.gz DQHJSIPIPRHXBT-UHFFFAOYSA-N 1 0 258.456 3.543 10 0 CHAERO CCCSCc1nc(C(C)(C)C)c(C[NH2+]C)s1 ZINC000082439764 178017895 /nfs/dbraw/zinc/01/78/95/178017895.db2.gz WZPLNTKOXBFETD-UHFFFAOYSA-N 1 0 272.483 3.803 10 0 CHAERO CC(C)(C)c1nc(C(C)(C)C)c(C[NH2+]C2CC2)s1 ZINC000082440058 178018438 /nfs/dbraw/zinc/01/84/38/178018438.db2.gz MKSCRMLYRGEFPY-UHFFFAOYSA-N 1 0 266.454 3.990 10 0 CHAERO CC(C)(C)c1nc([C@@H]2CCCO2)sc1C[NH2+]C1CC1 ZINC000082440120 178018455 /nfs/dbraw/zinc/01/84/55/178018455.db2.gz UPAMEIIHIXAKIR-NSHDSACASA-N 1 0 280.437 3.544 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccc1 ZINC000082503081 178066524 /nfs/dbraw/zinc/06/65/24/178066524.db2.gz UNBPSRUBGJTIKC-INIZCTEOSA-N 1 0 253.345 3.608 10 0 CHAERO Cc1ccc(-c2csc(CCCC[NH3+])n2)cc1C ZINC000082569854 178104433 /nfs/dbraw/zinc/10/44/33/178104433.db2.gz JQCFUTVFXSWHFL-UHFFFAOYSA-N 1 0 260.406 3.708 10 0 CHAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000082707086 178215271 /nfs/dbraw/zinc/21/52/71/178215271.db2.gz FEYUNINJNLQAEG-NSHDSACASA-N 1 0 258.340 3.578 10 0 CHAERO O[C@H](c1ccc(Cl)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000083140639 178341177 /nfs/dbraw/zinc/34/11/77/178341177.db2.gz UAJKLBVHYUCTDY-ZBEGNZNMSA-N 1 0 275.779 3.526 10 0 CHAERO CC[NH2+][C@H](C(=O)c1cc(C(C)C)ccc1C)C(C)C ZINC000096890728 185123671 /nfs/dbraw/zinc/12/36/71/185123671.db2.gz WGMVNAYRLMTQJT-INIZCTEOSA-N 1 0 261.409 3.935 10 0 CHAERO COc1cc([C@@H](C[NH3+])C(C)C)c(OC)cc1C(C)C ZINC000096889396 185123905 /nfs/dbraw/zinc/12/39/05/185123905.db2.gz RUWGTFOMKVJRPY-AWEZNQCLSA-N 1 0 265.397 3.526 10 0 CHAERO Cc1cc(C(C)(C)C)ccc1[C@H](OCC[NH3+])C1CC1 ZINC000096891527 185124665 /nfs/dbraw/zinc/12/46/65/185124665.db2.gz LTDZQSZFQJYFBK-MRXNPFEDSA-N 1 0 261.409 3.719 10 0 CHAERO C[C@@H](OCC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000096891003 185125091 /nfs/dbraw/zinc/12/50/91/185125091.db2.gz JOVOHYHRQVNAQJ-GFCCVEGCSA-N 1 0 265.422 3.758 10 0 CHAERO CC[C@H](C[NH2+]CC(C)C)N(CC)c1cccc(C)c1 ZINC000104000563 185879067 /nfs/dbraw/zinc/87/90/67/185879067.db2.gz PMJMCHUMJBEOEP-MRXNPFEDSA-N 1 0 262.441 3.846 10 0 CHAERO CCC[NH2+][C@@H](c1cc2ccccc2o1)[C@@H]1CCOC1 ZINC000104110811 185897642 /nfs/dbraw/zinc/89/76/42/185897642.db2.gz YTYHONPLAGGDSM-CZUORRHYSA-N 1 0 259.349 3.510 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)[C@@H]1CCOc2ccccc21 ZINC000104203678 185929790 /nfs/dbraw/zinc/92/97/90/185929790.db2.gz RMPGHBRDPYVNOM-CZUORRHYSA-N 1 0 273.401 3.965 10 0 CHAERO CC[C@H](C)Sc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000104285395 185955067 /nfs/dbraw/zinc/95/50/67/185955067.db2.gz ILXNIAIPXKMUJA-IUCAKERBSA-N 1 0 259.365 3.745 10 0 CHAERO CC[C@H]1CCCC[C@H]1N(CCC[NH3+])c1ccccc1 ZINC000104429119 185999819 /nfs/dbraw/zinc/99/98/19/185999819.db2.gz HLIRMWXWFPAKHT-DOTOQJQBSA-N 1 0 260.425 3.811 10 0 CHAERO CC(C)(C)OC(=O)NCCC[C@H]([NH3+])c1cccc(Cl)c1 ZINC000091692269 180228098 /nfs/dbraw/zinc/22/80/98/180228098.db2.gz CWABKZVBLWEFDJ-ZDUSSCGKSA-N 1 0 298.814 3.645 10 0 CHAERO C[NH2+]Cc1ccc(OCCC(C)C)c(C(F)(F)F)c1 ZINC000110443783 186296681 /nfs/dbraw/zinc/29/66/81/186296681.db2.gz PFQPINNDQHCDTG-UHFFFAOYSA-N 1 0 275.314 3.850 10 0 CHAERO c1ccc(C2(c3ccccc3)C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000066054711 184570197 /nfs/dbraw/zinc/57/01/97/184570197.db2.gz OXJLEBLNMYHSOR-HDICACEKSA-N 1 0 263.384 3.887 10 0 CHAERO CC[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000095091480 184940312 /nfs/dbraw/zinc/94/03/12/184940312.db2.gz HGSCSXVAUHCZNU-FZMZJTMJSA-N 1 0 288.218 3.551 10 0 CHAERO CC[C@H]1CN(c2ccc(Cl)cc2C)[C@@H](CC)C[NH2+]1 ZINC000083493758 134503788 /nfs/dbraw/zinc/50/37/88/134503788.db2.gz TWLJXPRTRCUVEW-KBPBESRZSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@@H]1CN(c2ccc(C(C)C)cc2)[C@H](CC)C[NH2+]1 ZINC000083441609 135021506 /nfs/dbraw/zinc/02/15/06/135021506.db2.gz CVOWKRSLFOHUHV-HZPDHXFCSA-N 1 0 260.425 3.777 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(C)cc1Cl ZINC000083493761 135024579 /nfs/dbraw/zinc/02/45/79/135024579.db2.gz PIDBDTUSFSXJIN-QWHCGFSZSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@@H]1CN(c2ccccc2Cl)[C@H](C(C)C)C[NH2+]1 ZINC000083493823 135024720 /nfs/dbraw/zinc/02/47/20/135024720.db2.gz IWSRLXJVPNHCLA-DOMZBBRYSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@@H]1CN(c2cccc(Cl)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083493819 135024763 /nfs/dbraw/zinc/02/47/63/135024763.db2.gz GTQWCTKCWLYOJP-HIFRSBDPSA-N 1 0 266.816 3.553 10 0 CHAERO Cc1cc(C)cc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083542101 135028709 /nfs/dbraw/zinc/02/87/09/135028709.db2.gz LFJZEOCHXIREHT-ZWKOTPCHSA-N 1 0 274.452 3.762 10 0 CHAERO Cc1cc(C)cc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083542099 135028744 /nfs/dbraw/zinc/02/87/44/135028744.db2.gz LFJZEOCHXIREHT-QZTJIDSGSA-N 1 0 274.452 3.762 10 0 CHAERO CC[C@@H]([NH3+])[C@H](SCC1CCCC1)c1ccco1 ZINC000062835874 522650372 /nfs/dbraw/zinc/65/03/72/522650372.db2.gz SZHYJQBPGPIVEP-OCCSQVGLSA-N 1 0 253.411 3.981 10 0 CHAERO CCCCc1ccc(-c2csc(CC[NH3+])n2)cc1 ZINC000003708350 169908510 /nfs/dbraw/zinc/90/85/10/169908510.db2.gz BNTZQYVSOAJNIU-UHFFFAOYSA-N 1 0 260.406 3.654 10 0 CHAERO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH3+] ZINC000004896137 170037493 /nfs/dbraw/zinc/03/74/93/170037493.db2.gz WDTAJXMIXADUTH-YSZCXEEOSA-N 1 0 291.479 3.717 10 0 CHAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000005722208 170133276 /nfs/dbraw/zinc/13/32/76/170133276.db2.gz QUQCIZKURXCKIB-QAPCUYQASA-N 1 0 251.373 3.922 10 0 CHAERO CCOc1ccc([C@H]([NH3+])c2ccc(C)cc2)cc1OCC ZINC000008324973 170331242 /nfs/dbraw/zinc/33/12/42/170331242.db2.gz OQJBHOGERGLGIZ-GOSISDBHSA-N 1 0 285.387 3.841 10 0 CHAERO Cc1cccc([C@@H](C[NH3+])Cc2cccc(Cl)c2)c1 ZINC000011588204 170423267 /nfs/dbraw/zinc/42/32/67/170423267.db2.gz ZNFCOHLSEXEWIF-OAHLLOKOSA-N 1 0 259.780 3.933 10 0 CHAERO CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@H]([NH3+])C1 ZINC000013997056 170614736 /nfs/dbraw/zinc/61/47/36/170614736.db2.gz UDYREWHVZAWPIN-CQSZACIVSA-N 1 0 289.810 3.557 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2c(C)cc(C)cc2C)cc1OC ZINC000019414262 170790561 /nfs/dbraw/zinc/79/05/61/170790561.db2.gz UZGMJHJJVPTTIM-GOSISDBHSA-N 1 0 285.387 3.677 10 0 CHAERO Cc1c(Cl)cccc1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019425701 170794775 /nfs/dbraw/zinc/79/47/75/170794775.db2.gz INMJNSRUAXFMQL-AWEZNQCLSA-N 1 0 288.778 3.677 10 0 CHAERO Cc1cc(Cl)ccc1O[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000019671596 170835865 /nfs/dbraw/zinc/83/58/65/170835865.db2.gz KPRSLDOKAFZAFW-HNNXBMFYSA-N 1 0 279.742 3.866 10 0 CHAERO [NH3+]CCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000019787550 170866327 /nfs/dbraw/zinc/86/63/27/170866327.db2.gz HGGYLXBGMSYGPL-UHFFFAOYSA-N 1 0 284.790 3.844 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1OCc1cc(C[NH3+])ccc1F ZINC000019803290 170871931 /nfs/dbraw/zinc/87/19/31/170871931.db2.gz JMXDVZXHFMATRO-CJNGLKHVSA-N 1 0 265.372 3.770 10 0 CHAERO CC(C)(C)c1ccc(OCc2cccc(C(N)=[NH2+])c2)cc1 ZINC000019808836 170877585 /nfs/dbraw/zinc/87/75/85/170877585.db2.gz IGCYNERNIYVXRU-UHFFFAOYSA-N 1 0 282.387 3.847 10 0 CHAERO CC(C)c1ccccc1Oc1ccc(C(N)=[NH2+])cc1 ZINC000019866141 170899560 /nfs/dbraw/zinc/89/95/60/170899560.db2.gz FCTFGQQUWHQSOB-UHFFFAOYSA-N 1 0 254.333 3.886 10 0 CHAERO COCC[NH2+][C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000019881509 170908326 /nfs/dbraw/zinc/90/83/26/170908326.db2.gz PFIZQKSMZCOYBP-CYBMUJFWSA-N 1 0 267.372 3.555 10 0 CHAERO CCc1ccc([C@H]([NH3+])Cc2ccc(OC)c(OC)c2)s1 ZINC000019970606 170954142 /nfs/dbraw/zinc/95/41/42/170954142.db2.gz RYCBUTOOQRNCGB-CYBMUJFWSA-N 1 0 291.416 3.570 10 0 CHAERO COCCc1ccc([C@H]([NH3+])C(C)(C)c2ccccc2)cc1 ZINC000019970904 170954370 /nfs/dbraw/zinc/95/43/70/170954370.db2.gz XYLYLIFUXSVUHM-SFHVURJKSA-N 1 0 283.415 3.853 10 0 CHAERO CN(C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000020012608 170969188 /nfs/dbraw/zinc/96/91/88/170969188.db2.gz RLKIPKMNSFANCI-OAHLLOKOSA-N 1 0 294.320 3.842 10 0 CHAERO CCN(CC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000020073627 170983505 /nfs/dbraw/zinc/98/35/05/170983505.db2.gz ZESBMPSAZLQNHU-KRWDZBQOSA-N 1 0 254.377 3.603 10 0 CHAERO C[C@H]([NH2+][C@H]1COc2cc(O)ccc21)c1cccc(Cl)c1 ZINC000020124289 171006296 /nfs/dbraw/zinc/00/62/96/171006296.db2.gz KOHAPTCPSGHGME-BONVTDFDSA-N 1 0 289.762 3.830 10 0 CHAERO CCOc1ccc([C@H](C)[NH2+]CCC(C)C)cc1F ZINC000020177189 171042741 /nfs/dbraw/zinc/04/27/41/171042741.db2.gz QANSIGJTELQFSQ-LBPRGKRZSA-N 1 0 253.361 3.921 10 0 CHAERO C=COCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020197667 171062038 /nfs/dbraw/zinc/06/20/38/171062038.db2.gz OIYZRETWPFNLGZ-SNVBAGLBSA-N 1 0 257.736 3.680 10 0 CHAERO CCc1ccc(OC[C@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000020221670 171082970 /nfs/dbraw/zinc/08/29/70/171082970.db2.gz CEGYJTCEAOFLAO-HNNXBMFYSA-N 1 0 275.436 3.925 10 0 CHAERO CCc1ccc(OCC2CC[NH2+]CC2)c(C(C)(C)C)c1 ZINC000020221693 171082990 /nfs/dbraw/zinc/08/29/90/171082990.db2.gz RIQSRJJFHWVCAT-UHFFFAOYSA-N 1 0 275.436 3.925 10 0 CHAERO CN(Cc1ccccc1Cl)[C@@H](C[NH3+])c1cccs1 ZINC000020225320 171087774 /nfs/dbraw/zinc/08/77/74/171087774.db2.gz MQFJKWFWMAIGPE-ZDUSSCGKSA-N 1 0 280.824 3.533 10 0 CHAERO CCc1ccc([C@@H](C[NH3+])N(C)Cc2cccc(C)c2)cc1 ZINC000020225702 171087912 /nfs/dbraw/zinc/08/79/12/171087912.db2.gz DKNAIAVISPAOMX-LJQANCHMSA-N 1 0 282.431 3.689 10 0 CHAERO Cc1ccccc1[C@H](C[NH3+])N(C)Cc1cccc(Cl)c1 ZINC000020225444 171088734 /nfs/dbraw/zinc/08/87/34/171088734.db2.gz WRLTUAAVCUWMPQ-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO CN(Cc1ccc(F)cc1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226009 171089403 /nfs/dbraw/zinc/08/94/03/171089403.db2.gz ISKSWVUMLKXWQZ-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225949 171090607 /nfs/dbraw/zinc/09/06/07/171090607.db2.gz NLRXISPTBKCXTQ-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO C[N@H+](CC1CCCCC1)[C@@H](CN)c1cccc(Cl)c1 ZINC000020225984 171090626 /nfs/dbraw/zinc/09/06/26/171090626.db2.gz DRFNHMRCBKNXJY-INIZCTEOSA-N 1 0 280.843 3.852 10 0 CHAERO CN(CC1CCCCC1)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226293 171091115 /nfs/dbraw/zinc/09/11/15/171091115.db2.gz FFOANPCPPTUHPF-OAHLLOKOSA-N 1 0 298.833 3.991 10 0 CHAERO CCc1ccc(CN(CCC[NH3+])c2ccccc2C)cc1 ZINC000020236969 171096522 /nfs/dbraw/zinc/09/65/22/171096522.db2.gz BCUPXCAQEUOBNB-UHFFFAOYSA-N 1 0 282.431 3.913 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1N(C)Cc1cccc(F)c1 ZINC000020266779 171123526 /nfs/dbraw/zinc/12/35/26/171123526.db2.gz VSJVEDHYFCWZLH-LLVKDONJSA-N 1 0 276.330 3.621 10 0 CHAERO N[C@@H](CC[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000020273997 171130871 /nfs/dbraw/zinc/13/08/71/171130871.db2.gz WUAADKHHMXKFJC-HNNXBMFYSA-N 1 0 266.816 3.606 10 0 CHAERO Cc1cc(C[NH2+][C@H](C)c2cccs2)cc(C)c1O ZINC000020305500 171141467 /nfs/dbraw/zinc/14/14/67/171141467.db2.gz ZIRIQCVTVHZLDD-GFCCVEGCSA-N 1 0 261.390 3.921 10 0 CHAERO CCCCCC[C@@](C)(C[NH3+])N(C)Cc1ccccc1 ZINC000020362579 171161619 /nfs/dbraw/zinc/16/16/19/171161619.db2.gz OQWFSALBLZPMIG-KRWDZBQOSA-N 1 0 262.441 3.806 10 0 CHAERO CCCCCC[C@](C)(CN)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020362592 171161663 /nfs/dbraw/zinc/16/16/63/171161663.db2.gz RTVIDVMNVCVMHZ-BZUAXINKSA-N 1 0 254.462 3.652 10 0 CHAERO C[C@H]1CCCC[N@@H+]1CCCNc1c(N)cccc1Cl ZINC000020382949 171173323 /nfs/dbraw/zinc/17/33/23/171173323.db2.gz OQKWGIVHJORSRQ-LBPRGKRZSA-N 1 0 281.831 3.599 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1F)c1ccc2c(c1)CCC2 ZINC000020384700 171175191 /nfs/dbraw/zinc/17/51/91/171175191.db2.gz VAPQLJGFSZEFCQ-KRWDZBQOSA-N 1 0 255.336 3.557 10 0 CHAERO [NH3+]Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000020390846 171179358 /nfs/dbraw/zinc/17/93/58/171179358.db2.gz XTJMWDGMAHSHTN-UHFFFAOYSA-N 1 0 283.762 3.651 10 0 CHAERO Cc1cccc(-n2cc(C[NH3+])c(-c3ccc(Cl)cc3)n2)c1 ZINC000020390753 171179500 /nfs/dbraw/zinc/17/95/00/171179500.db2.gz ZIFANSDAUQWEFX-UHFFFAOYSA-N 1 0 297.789 3.960 10 0 CHAERO Cc1cc(C)c(C)c(OC[C@H]([NH3+])c2ccccc2)c1 ZINC000020425483 171192219 /nfs/dbraw/zinc/19/22/19/171192219.db2.gz XUHFALPPEZUTHU-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO [NH3+][C@H](Cc1ccccn1)c1c(Cl)cccc1Cl ZINC000020429041 171194048 /nfs/dbraw/zinc/19/40/48/171194048.db2.gz VQBOCAZEJQQSBZ-GFCCVEGCSA-N 1 0 267.159 3.631 10 0 CHAERO Cc1cc([C@H]([NH3+])c2ccc3c(c2)CCC3)c(C)s1 ZINC000020431439 171195949 /nfs/dbraw/zinc/19/59/49/171195949.db2.gz DJCHMPBPGOUWHM-MRXNPFEDSA-N 1 0 257.402 3.902 10 0 CHAERO C[C@H]1CCCC[C@@H]1Oc1cccc(Cl)c1C[NH3+] ZINC000020469974 171211762 /nfs/dbraw/zinc/21/17/62/171211762.db2.gz HVPHBZYHQYEMLQ-GWCFXTLKSA-N 1 0 253.773 3.756 10 0 CHAERO Cc1ccc(CN(C)c2cccc(Cl)c2C[NH3+])cc1 ZINC000020469767 171211864 /nfs/dbraw/zinc/21/18/64/171211864.db2.gz QEYWZFXHZAAKMT-UHFFFAOYSA-N 1 0 274.795 3.744 10 0 CHAERO CCCCN(CCCC)[C@H](C[NH3+])c1ccccc1OC ZINC000020484727 171224711 /nfs/dbraw/zinc/22/47/11/171224711.db2.gz XVZHBFJZMGVWQL-MRXNPFEDSA-N 1 0 278.440 3.597 10 0 CHAERO CCC(C)(C)OC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020511790 171230840 /nfs/dbraw/zinc/23/08/40/171230840.db2.gz WZZXHGPRHWEGEB-RDVIWEACSA-N 1 0 265.441 3.735 10 0 CHAERO CCCCCC[C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000020520388 171233949 /nfs/dbraw/zinc/23/39/49/171233949.db2.gz OEDQUNDXYXCEBD-JKSUJKDBSA-N 1 0 256.478 3.911 10 0 CHAERO CCC(CC)[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020522266 171235405 /nfs/dbraw/zinc/23/54/05/171235405.db2.gz ISYWKJHHKWROTJ-CYBMUJFWSA-N 1 0 286.213 3.894 10 0 CHAERO Clc1cc(Cl)c(OCC[NH2+]C2CC2)cc1Cl ZINC000020524913 171237658 /nfs/dbraw/zinc/23/76/58/171237658.db2.gz ASLCLLFBFYNLGJ-UHFFFAOYSA-N 1 0 280.582 3.778 10 0 CHAERO CC[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000020524876 171237689 /nfs/dbraw/zinc/23/76/89/171237689.db2.gz CYWVFQGBUBDYBK-UHFFFAOYSA-N 1 0 268.571 3.635 10 0 CHAERO CCc1ccc([C@H](C[NH3+])N(CC)c2ccccc2)cc1 ZINC000020546638 171244026 /nfs/dbraw/zinc/24/40/26/171244026.db2.gz KWSWMUKJMKAXDZ-SFHVURJKSA-N 1 0 268.404 3.775 10 0 CHAERO CCc1ccc(OC[C@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000020552667 171247783 /nfs/dbraw/zinc/24/77/83/171247783.db2.gz WHBVHQQHFIFKNZ-SFHVURJKSA-N 1 0 269.388 3.945 10 0 CHAERO COc1ccc(C)cc1[C@H]([NH3+])COc1c(C)cccc1C ZINC000020561209 171252011 /nfs/dbraw/zinc/25/20/11/171252011.db2.gz CPRRUJDLTUBVRZ-MRXNPFEDSA-N 1 0 285.387 3.699 10 0 CHAERO CC(C)CC(CC(C)C)[NH2+]C[C@H](C(C)C)N(C)C ZINC000020565587 171253911 /nfs/dbraw/zinc/25/39/11/171253911.db2.gz DJYGAXRAIPMXFO-MRXNPFEDSA-N 1 0 256.478 3.623 10 0 CHAERO [NH3+][C@@H]1c2ccccc2C[C@H]1Oc1cccc2ccccc21 ZINC000020567410 171255183 /nfs/dbraw/zinc/25/51/83/171255183.db2.gz PLZAAGCJIDPPHA-RTBURBONSA-N 1 0 275.351 3.843 10 0 CHAERO CCCOc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1 ZINC000020930572 171280950 /nfs/dbraw/zinc/28/09/50/171280950.db2.gz PQMKUXXVCYTGBE-MRXNPFEDSA-N 1 0 299.414 3.897 10 0 CHAERO CCn1cc(C[NH2+]CCc2ccccc2)c2ccccc21 ZINC000020935012 171281409 /nfs/dbraw/zinc/28/14/09/171281409.db2.gz YCXWADAMVQVXJA-UHFFFAOYSA-N 1 0 278.399 3.994 10 0 CHAERO CC[C@H](C)C[C@@](CC)(C[NH3+])N1CCc2ccccc21 ZINC000021009894 171286334 /nfs/dbraw/zinc/28/63/34/171286334.db2.gz QBXHNBIROZIIMU-YOEHRIQHSA-N 1 0 260.425 3.593 10 0 CHAERO COc1ccc([C@@H]([NH3+])CC2CCCCC2)c(OC)c1 ZINC000021009593 171286431 /nfs/dbraw/zinc/28/64/31/171286431.db2.gz KBGPVJRWLAPOKT-HNNXBMFYSA-N 1 0 263.381 3.674 10 0 CHAERO Cc1cccc([C@H]([NH3+])c2ccc3c(c2)CCCC3)c1 ZINC000021016743 171289820 /nfs/dbraw/zinc/28/98/20/171289820.db2.gz HYJZUNUGAMVDTQ-SFHVURJKSA-N 1 0 251.373 3.922 10 0 CHAERO CC(C)CCOC[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000021020172 171290541 /nfs/dbraw/zinc/29/05/41/171290541.db2.gz WBRQUWFEJWHWMV-QGZVFWFLSA-N 1 0 263.425 3.948 10 0 CHAERO Cc1cc(C)c([C@H]([NH3+])COc2ccccc2)c(C)c1 ZINC000021020243 171290588 /nfs/dbraw/zinc/29/05/88/171290588.db2.gz OPRBVBWYJYUTPQ-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO N[C@H]1CC[C@@H](c2ccccc2)C[C@@H]1[NH+]1CCCCCC1 ZINC000021039148 171293015 /nfs/dbraw/zinc/29/30/15/171293015.db2.gz HRTQGENBYQAFPX-SQNIBIBYSA-N 1 0 272.436 3.526 10 0 CHAERO CN(C)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000021054085 171295544 /nfs/dbraw/zinc/29/55/44/171295544.db2.gz LMQKXFYGYYONQT-KGLIPLIRSA-N 1 0 254.462 3.521 10 0 CHAERO CCCCC[C@@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000021055464 171295571 /nfs/dbraw/zinc/29/55/71/171295571.db2.gz XWNCOVFIPCXJEU-OAHLLOKOSA-N 1 0 254.462 3.809 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](N)c2ccc(C(C)(C)C)cc2)C1 ZINC000021059834 171296867 /nfs/dbraw/zinc/29/68/67/171296867.db2.gz CTQANEYRCWMJON-IIDMSEBBSA-N 1 0 288.479 3.962 10 0 CHAERO NCC1([NH+]2CCCCCC2)CCC(c2ccccc2)CC1 ZINC000021500252 171304894 /nfs/dbraw/zinc/30/48/94/171304894.db2.gz YVMBDTXOLZDMHY-UHFFFAOYSA-N 1 0 286.463 3.918 10 0 CHAERO Cc1ccc(C)c([C@H]([NH3+])COc2ccccc2C)c1 ZINC000021501086 171305580 /nfs/dbraw/zinc/30/55/80/171305580.db2.gz YFBGGFVEAQFFKG-MRXNPFEDSA-N 1 0 255.361 3.691 10 0 CHAERO Cc1cc2ncn([C@H]3CCCCCC[C@H]3[NH3+])c2cc1C ZINC000021503201 171306139 /nfs/dbraw/zinc/30/61/39/171306139.db2.gz GSMOLNWKMXOKLS-ZBFHGGJFSA-N 1 0 271.408 3.876 10 0 CHAERO CC(C)(C)c1ccc(O[C@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000021504125 171307084 /nfs/dbraw/zinc/30/70/84/171307084.db2.gz BVTRZYUXHYGDRH-ZWKOTPCHSA-N 1 0 281.399 3.988 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc(F)cc2)C1 ZINC000021508578 171308996 /nfs/dbraw/zinc/30/89/96/171308996.db2.gz ZVOUPCNFVGHQNR-UGFHNGPFSA-N 1 0 265.372 3.747 10 0 CHAERO CC[C@@H]([NH3+])[C@H](C)Oc1ccc(Oc2ccccc2)cc1 ZINC000021509416 171309225 /nfs/dbraw/zinc/30/92/25/171309225.db2.gz UTVIWJSIGNUFIN-SUMWQHHRSA-N 1 0 271.360 3.984 10 0 CHAERO CCc1ccc([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000021508641 171309401 /nfs/dbraw/zinc/30/94/01/171309401.db2.gz XNUJDCIOPIEQPF-GRDNDAEWSA-N 1 0 260.425 3.512 10 0 CHAERO CCN(c1ccccc1C)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000021515088 171311811 /nfs/dbraw/zinc/31/18/11/171311811.db2.gz GUOBQZYNJUQNFS-DOTOQJQBSA-N 1 0 260.425 3.871 10 0 CHAERO Cc1ccc(C[NH2+]CCCN(C)c2ccccc2)c(C)c1 ZINC000021516503 171313018 /nfs/dbraw/zinc/31/30/18/171313018.db2.gz BYWQNYKQJJSPCI-UHFFFAOYSA-N 1 0 282.431 3.920 10 0 CHAERO CCc1ccc([C@@H]([NH3+])COc2cc(C)ccc2C)cc1 ZINC000021518287 171314602 /nfs/dbraw/zinc/31/46/02/171314602.db2.gz MLFLUCJCZWFARZ-KRWDZBQOSA-N 1 0 269.388 3.945 10 0 CHAERO COc1ccc(OC)c([C@@H]([NH3+])CC2CCCCC2)c1 ZINC000021519144 171315162 /nfs/dbraw/zinc/31/51/62/171315162.db2.gz NKRJFKDSJODDBM-HNNXBMFYSA-N 1 0 263.381 3.674 10 0 CHAERO Clc1ccccc1C[NH2+]Cc1ccc2nccnc2c1 ZINC000021635784 171317851 /nfs/dbraw/zinc/31/78/51/171317851.db2.gz PCNIHOBFUZGBGJ-UHFFFAOYSA-N 1 0 283.762 3.573 10 0 CHAERO CCc1ccc([C@H]([NH3+])CN(CC)c2ccccc2)cc1 ZINC000021793659 171324704 /nfs/dbraw/zinc/32/47/04/171324704.db2.gz NTJSXAMQWGFAQX-GOSISDBHSA-N 1 0 268.404 3.775 10 0 CHAERO CCc1ccc([C@@H]([NH3+])CN(CC)c2ccccc2)cc1 ZINC000021793662 171324875 /nfs/dbraw/zinc/32/48/75/171324875.db2.gz NTJSXAMQWGFAQX-SFHVURJKSA-N 1 0 268.404 3.775 10 0 CHAERO CCC(CC)[C@@H](C[NH2+][C@H](C)CCC(C)C)N(C)C ZINC000021801444 171326096 /nfs/dbraw/zinc/32/60/96/171326096.db2.gz NLTGRHLJYDHWQM-GDBMZVCRSA-N 1 0 256.478 3.767 10 0 CHAERO CC[N@H+](C[C@@H](N)c1ccccc1C)C1CCCCC1 ZINC000021809737 171328521 /nfs/dbraw/zinc/32/85/21/171328521.db2.gz HBTBGTRQLRKDHP-QGZVFWFLSA-N 1 0 260.425 3.649 10 0 CHAERO [NH3+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1Oc1cccc(F)c1 ZINC000021816981 171332921 /nfs/dbraw/zinc/33/29/21/171332921.db2.gz ZXQIHKUCXVZDKW-WBAXXEDZSA-N 1 0 285.362 3.868 10 0 CHAERO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC000021817801 171333077 /nfs/dbraw/zinc/33/30/77/171333077.db2.gz ASCPOCGCMSZARP-SWLSCSKDSA-N 1 0 268.832 3.577 10 0 CHAERO CCC[NH+](CCC)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000022150959 171358411 /nfs/dbraw/zinc/35/84/11/171358411.db2.gz ZSNYVBGLFJOBHJ-SJORKVTESA-N 1 0 260.425 3.513 10 0 CHAERO CCC[NH+](CCC)[C@@H]1CCCc2ccccc2[C@H]1N ZINC000022150966 171358626 /nfs/dbraw/zinc/35/86/26/171358626.db2.gz ZSNYVBGLFJOBHJ-IAGOWNOFSA-N 1 0 260.425 3.513 10 0 CHAERO C[C@H]([NH3+])c1ccccc1NC(=O)CCC1CCCC1 ZINC000022213266 171374411 /nfs/dbraw/zinc/37/44/11/171374411.db2.gz HEGAORPHZUKDAI-LBPRGKRZSA-N 1 0 260.381 3.615 10 0 CHAERO C[C@H]([NH3+])c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000022213653 171375165 /nfs/dbraw/zinc/37/51/65/171375165.db2.gz JWQHFYDGBAKLNO-LBPRGKRZSA-N 1 0 260.381 3.615 10 0 CHAERO [NH3+]C[C@H](c1cccc(Oc2ccccc2)c1)N1CCCC1 ZINC000022222496 171378886 /nfs/dbraw/zinc/37/88/86/171378886.db2.gz BULAYWCURDGQST-GOSISDBHSA-N 1 0 282.387 3.575 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](C)Oc1ccccc1-c1ccccc1 ZINC000022562398 171391130 /nfs/dbraw/zinc/39/11/30/171391130.db2.gz UVXAWMTVHHLFGW-CZUORRHYSA-N 1 0 255.361 3.858 10 0 CHAERO Cc1ccc([C@H](CCC[NH3+])Oc2ccccc2)cc1 ZINC000032108785 171701303 /nfs/dbraw/zinc/70/13/03/171701303.db2.gz QARBKLOTEQQHNY-KRWDZBQOSA-N 1 0 255.361 3.854 10 0 CHAERO CCc1cccc(Oc2ccc(C[C@@H](C)[NH3+])cc2)c1 ZINC000032108829 171701321 /nfs/dbraw/zinc/70/13/21/171701321.db2.gz WJYVRBXSLYIDFN-CYBMUJFWSA-N 1 0 255.361 3.931 10 0 CHAERO CCc1ccc(-c2nc(C[C@H](C)[NH3+])sc2C)cc1 ZINC000032111485 171703987 /nfs/dbraw/zinc/70/39/87/171703987.db2.gz LKKRDSRFIGIYNC-JTQLQIEISA-N 1 0 260.406 3.571 10 0 CHAERO CCN(CC(C)C)c1cccc(Cl)c1C[NH2+]C ZINC000034825099 171879563 /nfs/dbraw/zinc/87/95/63/171879563.db2.gz KGYVACPJZITUNN-UHFFFAOYSA-N 1 0 254.805 3.542 10 0 CHAERO CCC[NH2+][C@H](C)c1ccccc1OCc1ccco1 ZINC000034842267 171885505 /nfs/dbraw/zinc/88/55/05/171885505.db2.gz BTQRHXRQSWRBRK-CYBMUJFWSA-N 1 0 259.349 3.919 10 0 CHAERO Fc1cccc(CC[NH2+]Cc2ccc(F)cc2Cl)c1 ZINC000035142970 172009381 /nfs/dbraw/zinc/00/93/81/172009381.db2.gz UAINVRWAKPCNEJ-UHFFFAOYSA-N 1 0 281.733 3.951 10 0 CHAERO Fc1ccccc1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162129 172022417 /nfs/dbraw/zinc/02/24/17/172022417.db2.gz NZRMOVDQHHNWGG-UHFFFAOYSA-N 1 0 273.395 3.783 10 0 CHAERO C[C@@H]1CC(C)(C)C[C@@](CN)([N@H+](C)C2CCCCC2)C1 ZINC000035176641 172028979 /nfs/dbraw/zinc/02/89/79/172028979.db2.gz VGXPGIUBORNBEI-PBHICJAKSA-N 1 0 266.473 3.795 10 0 CHAERO CC[C@H](C)C[C@](CC)(CN)[N@H+](C)C1CCCCC1 ZINC000035176677 172029091 /nfs/dbraw/zinc/02/90/91/172029091.db2.gz SLMUWJJFZOUCLE-GOEBONIOSA-N 1 0 254.462 3.795 10 0 CHAERO CC[C@@H](C)C[C@](CC)(CN)[N@H+](C)C1CCCCC1 ZINC000035176675 172029492 /nfs/dbraw/zinc/02/94/92/172029492.db2.gz SLMUWJJFZOUCLE-GDBMZVCRSA-N 1 0 254.462 3.795 10 0 CHAERO C[C@@H]1CC(C)(C)C[C@](CN)([N@H+](C)C2CCCCC2)C1 ZINC000035176644 172029611 /nfs/dbraw/zinc/02/96/11/172029611.db2.gz VGXPGIUBORNBEI-RHSMWYFYSA-N 1 0 266.473 3.795 10 0 CHAERO CCC1CCC(CN)([N@H+](CC)C2CCCCC2)CC1 ZINC000035176736 172029895 /nfs/dbraw/zinc/02/98/95/172029895.db2.gz NJDGCSNGJKLEJZ-UHFFFAOYSA-N 1 0 266.473 3.939 10 0 CHAERO CC(C)[C@@H]([C@@H](N)c1ccccc1)[N@H+](C)C1CCCCC1 ZINC000035219787 172061312 /nfs/dbraw/zinc/06/13/12/172061312.db2.gz YCXBKAJKCLKQHJ-ROUUACIJSA-N 1 0 274.452 3.976 10 0 CHAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000035258185 172089418 /nfs/dbraw/zinc/08/94/18/172089418.db2.gz IVXJEQVAUZSZKN-QWRGUYRKSA-N 1 0 263.328 3.959 10 0 CHAERO [NH3+][C@H](c1cccs1)c1ccc(Br)s1 ZINC000035379712 172162512 /nfs/dbraw/zinc/16/25/12/172162512.db2.gz OYWIUNWFTBDAKO-SECBINFHSA-N 1 0 274.208 3.620 10 0 CHAERO Cc1ccc([C@@H]([NH3+])c2c(F)cc(F)cc2F)s1 ZINC000035381141 172163595 /nfs/dbraw/zinc/16/35/95/172163595.db2.gz AQGWHECIJIVTHP-GFCCVEGCSA-N 1 0 257.280 3.522 10 0 CHAERO COc1ccc([C@@H]([NH3+])CC2CCCCC2)cc1F ZINC000035424523 172192613 /nfs/dbraw/zinc/19/26/13/172192613.db2.gz OYAAWQNYPRHAJK-AWEZNQCLSA-N 1 0 251.345 3.805 10 0 CHAERO C[NH2+][C@H](c1cc(Br)ccc1OC)C1CCCC1 ZINC000035456761 172206490 /nfs/dbraw/zinc/20/64/90/172206490.db2.gz IYBKYHLUOFEBKK-AWEZNQCLSA-N 1 0 298.224 3.908 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccc(C)s1 ZINC000035459076 172208519 /nfs/dbraw/zinc/20/85/19/172208519.db2.gz OQPKRAJGAHCFND-AWEZNQCLSA-N 1 0 261.390 3.568 10 0 CHAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000035462900 172210958 /nfs/dbraw/zinc/21/09/58/172210958.db2.gz LDWYKYHZEGNHCL-AWEZNQCLSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000035464590 172212351 /nfs/dbraw/zinc/21/23/51/172212351.db2.gz WOKSTEMOIUPVFG-HNNXBMFYSA-N 1 0 261.752 3.657 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000035464401 172212471 /nfs/dbraw/zinc/21/24/71/172212471.db2.gz LXVUPNCYBNHCSR-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1cc2c(s1)CCC2)c1ccc(OC)cc1 ZINC000035465516 172213306 /nfs/dbraw/zinc/21/33/06/172213306.db2.gz ARLLZJUFNAZOLF-INIZCTEOSA-N 1 0 273.401 3.554 10 0 CHAERO C[NH2+][C@H](c1ccc(C)cc1)c1ccc(OC)cc1C ZINC000035468537 172217510 /nfs/dbraw/zinc/21/75/10/172217510.db2.gz NMLYHXNMUMVILB-QGZVFWFLSA-N 1 0 255.361 3.621 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1cc2c(s1)CCCC2 ZINC000035487801 172222678 /nfs/dbraw/zinc/22/26/78/172222678.db2.gz TZUOFNURSMIGDR-CQSZACIVSA-N 1 0 263.431 3.997 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1cccc(OC(F)F)c1 ZINC000035487877 172223014 /nfs/dbraw/zinc/22/30/14/172223014.db2.gz YPAMIWQOGQSMIW-LBPRGKRZSA-N 1 0 269.316 3.658 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1ccccc1OC(F)F ZINC000035487873 172223237 /nfs/dbraw/zinc/22/32/37/172223237.db2.gz DFEGKZISOWVJIU-LBPRGKRZSA-N 1 0 269.316 3.658 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1cccc(OC(F)F)c1 ZINC000035487879 172223266 /nfs/dbraw/zinc/22/32/66/172223266.db2.gz YPAMIWQOGQSMIW-GFCCVEGCSA-N 1 0 269.316 3.658 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1F)c1ccc(F)c(F)c1 ZINC000035494708 172227694 /nfs/dbraw/zinc/22/76/94/172227694.db2.gz RXJSBPUGJMSUAK-HNNXBMFYSA-N 1 0 265.278 3.607 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1OC)c1cc(C)sc1C ZINC000035497509 172230205 /nfs/dbraw/zinc/23/02/05/172230205.db2.gz AVWIAWWGKIKBLW-HNNXBMFYSA-N 1 0 275.417 3.877 10 0 CHAERO C[NH2+][C@H](Cc1cccc(OC)c1)c1ccc(Cl)s1 ZINC000035498262 172231228 /nfs/dbraw/zinc/23/12/28/172231228.db2.gz MWYOFJOYZZROBE-GFCCVEGCSA-N 1 0 281.808 3.913 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000035498300 172231924 /nfs/dbraw/zinc/23/19/24/172231924.db2.gz COGWZHRBODAVJJ-LBPRGKRZSA-N 1 0 273.735 3.989 10 0 CHAERO C[NH2+][C@H](c1csc2ccccc21)c1cccnc1 ZINC000035499589 172233289 /nfs/dbraw/zinc/23/32/89/172233289.db2.gz WQSKAGTVCWXQLG-HNNXBMFYSA-N 1 0 254.358 3.605 10 0 CHAERO CCC[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCCO2 ZINC000035501133 172234707 /nfs/dbraw/zinc/23/47/07/172234707.db2.gz RRUOOCAESXYBIQ-GFCCVEGCSA-N 1 0 269.772 3.562 10 0 CHAERO C[NH2+][C@@H](c1cccnc1)c1cc(Cl)ccc1Cl ZINC000035501881 172236214 /nfs/dbraw/zinc/23/62/14/172236214.db2.gz PTVMGGIJDZLVJF-ZDUSSCGKSA-N 1 0 267.159 3.697 10 0 CHAERO CCCCC1CCC([C@@H](Cc2ncc[nH]2)[NH2+]C)CC1 ZINC000035503888 172237222 /nfs/dbraw/zinc/23/72/22/172237222.db2.gz AIBBWQYIKOJTCW-YMAMQOFZSA-N 1 0 263.429 3.537 10 0 CHAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)[C@H]1C[C@@H]1C ZINC000035502354 172237407 /nfs/dbraw/zinc/23/74/07/172237407.db2.gz HRMUATRHLOGDDK-WATHFIQWSA-N 1 0 250.194 3.971 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(Br)c1)C(C)C ZINC000035508244 172240665 /nfs/dbraw/zinc/24/06/65/172240665.db2.gz OWLZSJWMBXGNIC-ZDUSSCGKSA-N 1 0 286.213 3.764 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)C1CCCC1 ZINC000035539611 172245622 /nfs/dbraw/zinc/24/56/22/172245622.db2.gz DDNAFFCEDSMGRR-INIZCTEOSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000035540390 172247034 /nfs/dbraw/zinc/24/70/34/172247034.db2.gz OGOSXZZNZXFXGN-SNVBAGLBSA-N 1 0 251.679 3.943 10 0 CHAERO CC[NH2+][C@H](c1ccccc1)c1ccccc1OCC ZINC000035540622 172247295 /nfs/dbraw/zinc/24/72/95/172247295.db2.gz XWUXUYJVFKEQLH-QGZVFWFLSA-N 1 0 255.361 3.784 10 0 CHAERO CC[NH2+][C@H](c1ccc(F)cc1)c1cc(F)ccc1F ZINC000035543746 172251892 /nfs/dbraw/zinc/25/18/92/172251892.db2.gz OUCYSFLNGWVGFD-OAHLLOKOSA-N 1 0 265.278 3.803 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1)c1cc(F)ccc1F ZINC000035543844 172252104 /nfs/dbraw/zinc/25/21/04/172252104.db2.gz CBPHVUJAQHUILR-INIZCTEOSA-N 1 0 261.315 3.858 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1cc2c(s1)CCC2 ZINC000035545260 172253641 /nfs/dbraw/zinc/25/36/41/172253641.db2.gz PHPBAVXCILTOKF-CQSZACIVSA-N 1 0 263.431 3.997 10 0 CHAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccccc1C ZINC000035549107 172256938 /nfs/dbraw/zinc/25/69/38/172256938.db2.gz NUKWUZADVVQOON-INIZCTEOSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@@H](c1csc2ccccc12)[C@H]1CCCO1 ZINC000035555273 172261652 /nfs/dbraw/zinc/26/16/52/172261652.db2.gz RSBRQVZAJQBMMV-HIFRSBDPSA-N 1 0 261.390 3.731 10 0 CHAERO CC[NH2+][C@H](c1cc2c(cc1Cl)OCCCO2)C1CC1 ZINC000035557392 172262259 /nfs/dbraw/zinc/26/22/59/172262259.db2.gz DFEADKQPHSBKQA-HNNXBMFYSA-N 1 0 281.783 3.562 10 0 CHAERO CCC[NH2+][C@@H](c1ccncc1)c1ccc(C)c(C)c1 ZINC000035572802 172268723 /nfs/dbraw/zinc/26/87/23/172268723.db2.gz CAZRGIWQOIGPJJ-KRWDZBQOSA-N 1 0 254.377 3.787 10 0 CHAERO CCC[NH2+][C@@H](c1cc(Br)ccc1OC)C1CC1 ZINC000035572685 172269414 /nfs/dbraw/zinc/26/94/14/172269414.db2.gz DGBIGRQGFFFIMS-CQSZACIVSA-N 1 0 298.224 3.908 10 0 CHAERO CCC[NH2+][C@H](CCC)c1ccc(OC)c(OC)c1 ZINC000035574575 172270992 /nfs/dbraw/zinc/27/09/92/172270992.db2.gz ORTJWQONEPUBEI-CYBMUJFWSA-N 1 0 251.370 3.545 10 0 CHAERO CCC[NH2+][C@H](CCC)c1cc(OC)ccc1OC ZINC000035577827 172274327 /nfs/dbraw/zinc/27/43/27/172274327.db2.gz ONQKPLAHJVFKOV-CQSZACIVSA-N 1 0 251.370 3.545 10 0 CHAERO CCC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@H](C)CC ZINC000035577874 172274377 /nfs/dbraw/zinc/27/43/77/172274377.db2.gz KZFGXILNOYCXHJ-MLGOLLRUSA-N 1 0 265.397 3.791 10 0 CHAERO CCC[NH2+][C@H](c1ccncc1)c1ccc(C)cc1C ZINC000035579534 172274947 /nfs/dbraw/zinc/27/49/47/172274947.db2.gz AUZWWYPPVDYXIT-QGZVFWFLSA-N 1 0 254.377 3.787 10 0 CHAERO CCC[NH2+][C@@H](c1ccncc1)c1ccc(C)cc1C ZINC000035579532 172275075 /nfs/dbraw/zinc/27/50/75/172275075.db2.gz AUZWWYPPVDYXIT-KRWDZBQOSA-N 1 0 254.377 3.787 10 0 CHAERO CCC[NH2+][C@@H](c1ccco1)c1ccc(F)c(F)c1 ZINC000035582351 172280554 /nfs/dbraw/zinc/28/05/54/172280554.db2.gz XMXPQCAKMXOEOJ-CQSZACIVSA-N 1 0 251.276 3.647 10 0 CHAERO Cc1ccc(OCc2ccc(F)cc2)c([C@H](C)[NH3+])c1 ZINC000035629447 172309846 /nfs/dbraw/zinc/30/98/46/172309846.db2.gz FCZMYYHVQZFDCS-LBPRGKRZSA-N 1 0 259.324 3.733 10 0 CHAERO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CC1 ZINC000035653024 172329429 /nfs/dbraw/zinc/32/94/29/172329429.db2.gz BMINLMIVEFHGBB-CYBMUJFWSA-N 1 0 251.757 3.614 10 0 CHAERO Cc1cc2c(c(C)c1Cl)[C@H]([NH2+]C1CC1)CCO2 ZINC000035657753 172332317 /nfs/dbraw/zinc/33/23/17/172332317.db2.gz GPIMCVWPRKUAIS-LLVKDONJSA-N 1 0 251.757 3.532 10 0 CHAERO Cc1ccc(Cl)c2c1[C@@H]([NH2+]C1CC1)CCCO2 ZINC000035657712 172332615 /nfs/dbraw/zinc/33/26/15/172332615.db2.gz IDUKNBNFRSUTSF-LBPRGKRZSA-N 1 0 251.757 3.614 10 0 CHAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OC1CCCC1 ZINC000035661860 172339327 /nfs/dbraw/zinc/33/93/27/172339327.db2.gz SJSSSRGZSQMZKC-UHFFFAOYSA-N 1 0 260.164 3.774 10 0 CHAERO CC[NH2+][C@@H](C)c1ccccc1N(C)Cc1ccco1 ZINC000035702182 172370433 /nfs/dbraw/zinc/37/04/33/172370433.db2.gz RVXZQXHAKDFWBU-ZDUSSCGKSA-N 1 0 258.365 3.587 10 0 CHAERO CC[C@H](C)C[C@](CC)(C[NH3+])N(C)Cc1cccs1 ZINC000035717226 172371350 /nfs/dbraw/zinc/37/13/50/172371350.db2.gz KNLUIWVRZCWCRN-DZGCQCFKSA-N 1 0 268.470 3.724 10 0 CHAERO CCCCCC[C@@](C)(C[NH3+])N(C)Cc1ccsc1 ZINC000035718996 172373107 /nfs/dbraw/zinc/37/31/07/172373107.db2.gz KUBMLDUTSWTTBB-HNNXBMFYSA-N 1 0 268.470 3.868 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1ccc(F)cc1F ZINC000035722039 172377665 /nfs/dbraw/zinc/37/76/65/172377665.db2.gz FKMIGXWTQFRLQC-JOYOIKCWSA-N 1 0 257.349 3.574 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1ccc(F)cc1F ZINC000035722038 172377765 /nfs/dbraw/zinc/37/77/65/172377765.db2.gz FKMIGXWTQFRLQC-SKDRFNHKSA-N 1 0 257.349 3.574 10 0 CHAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccc(F)c(F)c2)C1 ZINC000035722076 172377787 /nfs/dbraw/zinc/37/77/87/172377787.db2.gz BKPOFSVLTLXLLF-ISTVAULSSA-N 1 0 271.376 3.820 10 0 CHAERO [NH3+]C[C@H]1CCC[C@@H]1Sc1nc2ccccc2s1 ZINC000035722493 172378213 /nfs/dbraw/zinc/37/82/13/172378213.db2.gz WSQLTQUGEZGKFD-KOLCDFICSA-N 1 0 264.419 3.516 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1OC ZINC000035738763 172392723 /nfs/dbraw/zinc/39/27/23/172392723.db2.gz ALHZKRGLIKXKIK-NEPJUHHUSA-N 1 0 275.348 3.709 10 0 CHAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccco1 ZINC000035738817 172392744 /nfs/dbraw/zinc/39/27/44/172392744.db2.gz BUNUOFKZEWQIGV-CHWSQXEVSA-N 1 0 287.359 3.853 10 0 CHAERO COC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000035748226 172396125 /nfs/dbraw/zinc/39/61/25/172396125.db2.gz BLDPLKSTXQVLFK-BDAKNGLRSA-N 1 0 290.190 3.596 10 0 CHAERO C[NH2+][C@H]1CCCSc2c(Br)cccc21 ZINC000035762738 172402997 /nfs/dbraw/zinc/40/29/97/172402997.db2.gz HDDXVOMQLHELQQ-JTQLQIEISA-N 1 0 272.211 3.596 10 0 CHAERO Cc1cc(OCc2ccc(C(N)=[NH2+])cc2)cc(C)c1Cl ZINC000036988103 172851915 /nfs/dbraw/zinc/85/19/15/172851915.db2.gz FYNYAXONKUKGNP-UHFFFAOYSA-N 1 0 288.778 3.820 10 0 CHAERO FC(F)(F)c1ccc2sc([C@@H]3CCC[NH2+]C3)nc2c1 ZINC000037011467 172869371 /nfs/dbraw/zinc/86/93/71/172869371.db2.gz AJYYUSUPQHZXQM-MRVPVSSYSA-N 1 0 286.322 3.782 10 0 CHAERO Cc1n[nH]c(C)c1C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000037033951 172901578 /nfs/dbraw/zinc/90/15/78/172901578.db2.gz FQLXYERTNDPWAF-SGIREYDYSA-N 1 0 263.429 3.577 10 0 CHAERO CC[C@@H]([NH2+][C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000037167192 173001442 /nfs/dbraw/zinc/00/14/42/173001442.db2.gz UCUOVVDWDPSOIU-IAGOWNOFSA-N 1 0 262.441 3.704 10 0 CHAERO CC[C@H](C)C[N@H+](C)C1(CN)CCC(C(C)(C)C)CC1 ZINC000037172719 173006256 /nfs/dbraw/zinc/00/62/56/173006256.db2.gz ASPPGBDOVGVFDC-UQPPLGOBSA-N 1 0 268.489 3.898 10 0 CHAERO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000037187629 173018539 /nfs/dbraw/zinc/01/85/39/173018539.db2.gz VJEWALDCWYZNOG-UWEVLEENSA-N 1 0 257.421 3.757 10 0 CHAERO CSc1cccc(N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000037208862 173030858 /nfs/dbraw/zinc/03/08/58/173030858.db2.gz QGPRYYDMJYIFLO-QWHCGFSZSA-N 1 0 264.438 3.551 10 0 CHAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cccc(F)c2)C1 ZINC000037209861 173032123 /nfs/dbraw/zinc/03/21/23/173032123.db2.gz FGFKHJNLSVRQJZ-ZIAGYGMSSA-N 1 0 264.388 3.748 10 0 CHAERO Cc1nc2sccn2c1C[NH2+]CCC1=CCCCC1 ZINC000037216772 173035556 /nfs/dbraw/zinc/03/55/56/173035556.db2.gz HPERJEAMADKERL-UHFFFAOYSA-N 1 0 275.421 3.684 10 0 CHAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1scnc1C ZINC000037217619 173035764 /nfs/dbraw/zinc/03/57/64/173035764.db2.gz LVCPGWSPQVBSDW-CMPLNLGQSA-N 1 0 276.405 3.872 10 0 CHAERO CC(C)=CCN1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000037235326 173053517 /nfs/dbraw/zinc/05/35/17/173053517.db2.gz LUCGKABLEPZKHO-AWEZNQCLSA-N 1 0 278.465 3.829 10 0 CHAERO O[C@H]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000037321300 173122100 /nfs/dbraw/zinc/12/21/00/173122100.db2.gz BLOJUCQHTJKMSD-MBNYWOFBSA-N 1 0 297.851 3.770 10 0 CHAERO CC(C)(C)n1c2ccccc2nc1[C@@H]([NH3+])c1ccccc1 ZINC000037323674 173123801 /nfs/dbraw/zinc/12/38/01/173123801.db2.gz XCWJAMCLFSCMKV-INIZCTEOSA-N 1 0 279.387 3.839 10 0 CHAERO CCCn1c2ccccc2nc1CCCCCC[NH3+] ZINC000037323597 173123936 /nfs/dbraw/zinc/12/39/36/173123936.db2.gz CAVKHVDYJQNXPF-UHFFFAOYSA-N 1 0 259.397 3.508 10 0 CHAERO CSc1ccc(C(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000037333497 173134778 /nfs/dbraw/zinc/13/47/78/173134778.db2.gz ATJNUGOKJOHJLU-STQMWFEESA-N 1 0 277.433 3.854 10 0 CHAERO CCC[C@H](C)[N@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037339342 173140127 /nfs/dbraw/zinc/14/01/27/173140127.db2.gz GZNAESCMRRKDFF-HNNXBMFYSA-N 1 0 261.409 3.915 10 0 CHAERO CC(C)C[C@@H]([NH3+])c1nc2c(cccc2F)n1C(C)C ZINC000037442787 173210889 /nfs/dbraw/zinc/21/08/89/173210889.db2.gz SAGVVEJLVPFKRJ-GFCCVEGCSA-N 1 0 263.360 3.802 10 0 CHAERO C[C@]([NH3+])(Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000037531153 173253381 /nfs/dbraw/zinc/25/33/81/173253381.db2.gz JNXLJZZJUSJZQT-HNNXBMFYSA-N 1 0 263.743 3.896 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000037532924 173254051 /nfs/dbraw/zinc/25/40/51/173254051.db2.gz ZKICMLYBARQZPT-INIZCTEOSA-N 1 0 275.779 3.852 10 0 CHAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000037534540 173254215 /nfs/dbraw/zinc/25/42/15/173254215.db2.gz MXINFXJRKUVGQR-QGZVFWFLSA-N 1 0 254.377 3.673 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)Cc1ccccc1F ZINC000037534804 173254250 /nfs/dbraw/zinc/25/42/50/173254250.db2.gz JVKOQHGPGSRSTR-HNNXBMFYSA-N 1 0 277.770 3.852 10 0 CHAERO C[C@@H]([NH3+])Cc1ccccc1OCc1ccccc1Cl ZINC000037724313 173643024 /nfs/dbraw/zinc/64/30/24/173643024.db2.gz MSTZZZNJAPVEDZ-GFCCVEGCSA-N 1 0 275.779 3.809 10 0 CHAERO C/C=C/COc1ccc(Br)cc1C[C@H]([NH3+])CC ZINC000037725393 173643946 /nfs/dbraw/zinc/64/39/46/173643946.db2.gz DPNGMKMWJCVXKS-MASHWEEQSA-N 1 0 298.224 3.684 10 0 CHAERO C[C@H]([NH3+])Cc1cccc(OCc2ccccc2Cl)c1 ZINC000037726482 173645064 /nfs/dbraw/zinc/64/50/64/173645064.db2.gz IAYFRXPORLIXGB-LBPRGKRZSA-N 1 0 275.779 3.809 10 0 CHAERO CC[C@@H]([NH3+])Cc1c(OC(F)F)ccc2ccccc21 ZINC000037727569 173646637 /nfs/dbraw/zinc/64/66/37/173646637.db2.gz QVXZITVWIWIVDR-LLVKDONJSA-N 1 0 265.303 3.721 10 0 CHAERO CCCCCCN(CCCCCC)C(=O)[C@@H]([NH3+])CC ZINC000037814515 173762291 /nfs/dbraw/zinc/76/22/91/173762291.db2.gz BNYJUTYUUGZCCM-HNNXBMFYSA-N 1 0 270.461 3.713 10 0 CHAERO CC(C)[NH2+]Cc1c(Cl)cccc1N1CCC[C@H]1C ZINC000037911810 173844465 /nfs/dbraw/zinc/84/44/65/173844465.db2.gz PEHOTCTXRANKHM-GFCCVEGCSA-N 1 0 266.816 3.827 10 0 CHAERO CC[C@H](CCc1ccc(OC(F)(F)F)cc1)[NH2+]C ZINC000037948638 173889170 /nfs/dbraw/zinc/88/91/70/173889170.db2.gz VADIZYDAEULYAY-LLVKDONJSA-N 1 0 261.287 3.516 10 0 CHAERO CC[C@@H](Cc1cc(Cl)ccc1OC)[C@@H](C)[NH2+]C ZINC000038004506 173966622 /nfs/dbraw/zinc/96/66/22/173966622.db2.gz QCXOFTQBJAVXNA-MNOVXSKESA-N 1 0 255.789 3.525 10 0 CHAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(OC)c(F)c1 ZINC000038005000 173967540 /nfs/dbraw/zinc/96/75/40/173967540.db2.gz LQONFLLYJPAQKK-JSGCOSHPSA-N 1 0 267.388 3.791 10 0 CHAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccccc1OC ZINC000038028975 174018867 /nfs/dbraw/zinc/01/88/67/174018867.db2.gz ZEOCCVYTOXEEPD-NVXWUHKLSA-N 1 0 290.451 3.610 10 0 CHAERO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032519 174029207 /nfs/dbraw/zinc/02/92/07/174029207.db2.gz BGURWNPMLSAPIN-SFHVURJKSA-N 1 0 284.378 3.917 10 0 CHAERO [NH3+][C@H](c1nc2c(cccc2Cl)[nH]1)C1CCCCC1 ZINC000038036855 174036659 /nfs/dbraw/zinc/03/66/59/174036659.db2.gz RXEGMXMDHHRNTP-LBPRGKRZSA-N 1 0 263.772 3.796 10 0 CHAERO Cc1nccc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000038037271 174037428 /nfs/dbraw/zinc/03/74/28/174037428.db2.gz CSPLXNGWGJVLMH-ZDUSSCGKSA-N 1 0 269.392 3.759 10 0 CHAERO Cc1nccc(C[NH2+][C@H](c2cccs2)C2CCCC2)n1 ZINC000038037807 174038671 /nfs/dbraw/zinc/03/86/71/174038671.db2.gz MHMWDILWAMZQDA-INIZCTEOSA-N 1 0 287.432 3.868 10 0 CHAERO c1csc(-c2ccccc2NC2CC[NH2+]CC2)c1 ZINC000038041215 174042380 /nfs/dbraw/zinc/04/23/80/174042380.db2.gz KJWCPCCHIVQTKJ-UHFFFAOYSA-N 1 0 258.390 3.579 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc2c(c1)CCCO2 ZINC000038057885 174067999 /nfs/dbraw/zinc/06/79/99/174067999.db2.gz NGWSSAGMPNZWKB-INIZCTEOSA-N 1 0 273.401 3.690 10 0 CHAERO COC(=O)CCCC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000038064103 174075412 /nfs/dbraw/zinc/07/54/12/174075412.db2.gz YRAIHJYZLWYKCL-HNNXBMFYSA-N 1 0 263.381 3.543 10 0 CHAERO CC[NH2+]Cc1cccc(-c2ccc(OCC)cc2)c1 ZINC000038070370 174081680 /nfs/dbraw/zinc/08/16/80/174081680.db2.gz HAMRRWRSRQRQCX-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO [NH3+]Cc1ccc(-c2ccc3c(c2)CCCC3)cc1F ZINC000038072549 174082539 /nfs/dbraw/zinc/08/25/39/174082539.db2.gz NVPCYNJMAVQROX-UHFFFAOYSA-N 1 0 255.336 3.830 10 0 CHAERO Cc1cc(C)cc(C[C@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000038077342 174087527 /nfs/dbraw/zinc/08/75/27/174087527.db2.gz NNMFCYXIIMEZIU-INIZCTEOSA-N 1 0 261.315 3.824 10 0 CHAERO Cc1ccc([C@H]([NH3+])Cc2c(F)cccc2Cl)o1 ZINC000038127989 174131400 /nfs/dbraw/zinc/13/14/00/174131400.db2.gz FTZCJCCCPHQYOH-GFCCVEGCSA-N 1 0 253.704 3.623 10 0 CHAERO C#[N+][C@H](c1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000038534286 174144215 /nfs/dbraw/zinc/14/42/15/174144215.db2.gz GAGYKLPTWOZVPW-HNNXBMFYSA-N 1 0 290.339 3.569 10 0 CHAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(OC(C)C)cc1 ZINC000038983689 174160940 /nfs/dbraw/zinc/16/09/40/174160940.db2.gz MKJPQUJUXGGAKZ-KRWDZBQOSA-N 1 0 278.440 3.596 10 0 CHAERO [NH3+]C[C@H](c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC000039034759 174161869 /nfs/dbraw/zinc/16/18/69/174161869.db2.gz KVVCIDSVNYZYSW-CYBMUJFWSA-N 1 0 287.234 3.869 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H](CN)c2ccc(C(C)(C)C)cc2)C1 ZINC000039789051 174173415 /nfs/dbraw/zinc/17/34/15/174173415.db2.gz RWOPBQVSYOELFC-RVKKMQEKSA-N 1 0 288.479 3.962 10 0 CHAERO C[C@H]1CCC[C@@H](OC[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000040177340 174202524 /nfs/dbraw/zinc/20/25/24/174202524.db2.gz LPYHLUCXMLVGIY-NVBFEUDRSA-N 1 0 269.335 3.560 10 0 CHAERO CCC[NH2+]Cc1csc(-c2ccc(CC)cc2)n1 ZINC000040419371 174257076 /nfs/dbraw/zinc/25/70/76/174257076.db2.gz XPKIDQJEHKBODA-UHFFFAOYSA-N 1 0 260.406 3.872 10 0 CHAERO C[C@@H]1CCC[C@@](C[NH2+]CCC(C)(C)C)(N(C)C)C1 ZINC000040669055 174367606 /nfs/dbraw/zinc/36/76/06/174367606.db2.gz SDOWYDFQGMMLIH-GDBMZVCRSA-N 1 0 254.462 3.523 10 0 CHAERO CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCO1 ZINC000040729614 174388338 /nfs/dbraw/zinc/38/83/38/174388338.db2.gz GEFLVIYVGDIVJO-INIZCTEOSA-N 1 0 299.414 3.896 10 0 CHAERO Cc1c(Cl)cccc1NCCC[NH+]1CCCC1 ZINC000041322932 174519551 /nfs/dbraw/zinc/51/95/51/174519551.db2.gz TZUDMWLEHPMZII-UHFFFAOYSA-N 1 0 252.789 3.546 10 0 CHAERO C[NH2+]CC[C@@H](c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000041327964 174524274 /nfs/dbraw/zinc/52/42/74/174524274.db2.gz LCAITBWDVYAXDU-CYBMUJFWSA-N 1 0 257.299 3.809 10 0 CHAERO CCc1cc([C@H](C[NH2+]C)C2CCCC2)ccc1OC ZINC000041352248 174530676 /nfs/dbraw/zinc/53/06/76/174530676.db2.gz CMBZFZCGNRTXIC-MRXNPFEDSA-N 1 0 261.409 3.751 10 0 CHAERO C[NH2+]C[C@H](C)CCOc1ccc(Cl)cc1Cl ZINC000041352977 174531506 /nfs/dbraw/zinc/53/15/06/174531506.db2.gz UELAJOGQWXXDEF-SECBINFHSA-N 1 0 262.180 3.618 10 0 CHAERO COc1ccc(C[C@@H](C[NH3+])Cc2cccc(C)c2)cc1F ZINC000041463986 174556474 /nfs/dbraw/zinc/55/64/74/174556474.db2.gz NLCQWBXEYAKDRA-INIZCTEOSA-N 1 0 287.378 3.503 10 0 CHAERO CC(C)COCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000042329129 174686968 /nfs/dbraw/zinc/68/69/68/174686968.db2.gz GEPNYXXAYQECAD-HNNXBMFYSA-N 1 0 267.438 3.852 10 0 CHAERO C[C@@H](C[NH2+][C@H](c1cccs1)C1CC1)N1CCCCC1 ZINC000042331514 174687368 /nfs/dbraw/zinc/68/73/68/174687368.db2.gz VPPSGNLGADMFKC-BBRMVZONSA-N 1 0 278.465 3.663 10 0 CHAERO C[NH2+][C@@H](C)c1cc(F)ccc1N(CC(C)C)C1CC1 ZINC000042557671 174794467 /nfs/dbraw/zinc/79/44/67/174794467.db2.gz FMQCADIUSBXWLL-LBPRGKRZSA-N 1 0 264.388 3.731 10 0 CHAERO CC[C@@H]([NH2+]Cc1cnc(N(CC)CC)s1)C(C)C ZINC000042585956 174808239 /nfs/dbraw/zinc/80/82/39/174808239.db2.gz AXAAWLSYPJBUNU-CYBMUJFWSA-N 1 0 269.458 3.514 10 0 CHAERO C[C@H]1C[C@@H](O[C@@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC000042899997 174905378 /nfs/dbraw/zinc/90/53/78/174905378.db2.gz GYRAKCLKCNSDIW-IMJJTQAJSA-N 1 0 261.409 3.918 10 0 CHAERO [NH3+]C[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000042900480 174905435 /nfs/dbraw/zinc/90/54/35/174905435.db2.gz UXSVBVBQCCDMMJ-AWEZNQCLSA-N 1 0 265.328 3.757 10 0 CHAERO CCc1ccc(O[C@@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000042903132 174906899 /nfs/dbraw/zinc/90/68/99/174906899.db2.gz HPXFTXKLCXCGEH-SUMWQHHRSA-N 1 0 255.361 3.716 10 0 CHAERO Cc1ccc(C)c(O[C@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000042903222 174906971 /nfs/dbraw/zinc/90/69/71/174906971.db2.gz HIRVLCPWEXPODP-YOEHRIQHSA-N 1 0 255.361 3.771 10 0 CHAERO Cc1cccc([C@@H](Sc2ccccn2)[C@H](C)[NH3+])c1 ZINC000042969765 174933138 /nfs/dbraw/zinc/93/31/38/174933138.db2.gz PCDNJQADTPPTLJ-WFASDCNBSA-N 1 0 258.390 3.571 10 0 CHAERO [NH3+]C[C@H](Sc1ccc(F)cc1)c1cccc(F)c1 ZINC000042974432 174937649 /nfs/dbraw/zinc/93/76/49/174937649.db2.gz OEQFUMZIUFZIEC-AWEZNQCLSA-N 1 0 265.328 3.757 10 0 CHAERO Cc1ccccc1[C@@H](OCCc1cccs1)[C@@H](C)[NH3+] ZINC000043040535 174953127 /nfs/dbraw/zinc/95/31/27/174953127.db2.gz VWVLCSLENYWHCE-CJNGLKHVSA-N 1 0 275.417 3.704 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Sc1ccccn1)c1ccccc1C ZINC000043040999 174953164 /nfs/dbraw/zinc/95/31/64/174953164.db2.gz XFAVVFJEBNUDMW-HOCLYGCPSA-N 1 0 272.417 3.961 10 0 CHAERO C[C@H]([NH3+])[C@H](OCc1ccco1)c1ccccc1Cl ZINC000043053514 174961030 /nfs/dbraw/zinc/96/10/30/174961030.db2.gz XSUDVGUVUOPAMB-HZMBPMFUSA-N 1 0 265.740 3.538 10 0 CHAERO COc1ccccc1[C@H](Sc1nc(C)cs1)[C@H](C)[NH3+] ZINC000043101193 174967747 /nfs/dbraw/zinc/96/77/47/174967747.db2.gz YLHZOEKEQVPHKS-GXFFZTMASA-N 1 0 294.445 3.641 10 0 CHAERO Nc1cc[nH+]c(Nc2cc(Cl)ccc2Cl)c1 ZINC000043568524 175067562 /nfs/dbraw/zinc/06/75/62/175067562.db2.gz LBNZLQDYSKTJMX-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO CC[NH2+][C@H](C)[C@H](C)Cc1cc(Br)cs1 ZINC000043688066 175094977 /nfs/dbraw/zinc/09/49/77/175094977.db2.gz VHFOVTBYZLNDGE-RKDXNWHRSA-N 1 0 276.243 3.687 10 0 CHAERO C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)c1cccnc1 ZINC000044267446 175157952 /nfs/dbraw/zinc/15/79/52/175157952.db2.gz ZMTFXUNMVBCMMQ-AWEZNQCLSA-N 1 0 281.186 3.892 10 0 CHAERO C[NH2+]Cc1cccc(COc2ccc(Cl)c(C)c2)c1 ZINC000052648171 175536673 /nfs/dbraw/zinc/53/66/73/175536673.db2.gz CMTRWIJLAQFDAF-UHFFFAOYSA-N 1 0 275.779 3.947 10 0 CHAERO Clc1cccc(C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000057353439 175594311 /nfs/dbraw/zinc/59/43/11/175594311.db2.gz HSBBVPHOMAJXGR-UHFFFAOYSA-N 1 0 285.778 3.549 10 0 CHAERO CC[C@@H](C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000068590943 175811526 /nfs/dbraw/zinc/81/15/26/175811526.db2.gz PFYRCLBCOBRGKN-ILXRZTDVSA-N 1 0 298.471 3.706 10 0 CHAERO CC(C)C[NH2+]CCC[C@@H](C)Oc1cc(F)ccc1F ZINC000071168814 176049706 /nfs/dbraw/zinc/04/97/06/176049706.db2.gz REGXNLLTPJBYHM-GFCCVEGCSA-N 1 0 271.351 3.758 10 0 CHAERO CC(C)(C)c1ccccc1N1CC[C@H](C[NH2+]C2CC2)C1 ZINC000071174497 176053635 /nfs/dbraw/zinc/05/36/35/176053635.db2.gz QYZGCLNNDFUMDL-CQSZACIVSA-N 1 0 272.436 3.562 10 0 CHAERO [NH3+]Cc1ccc(OCc2ccsc2)c(C(F)(F)F)c1 ZINC000071398331 176151779 /nfs/dbraw/zinc/15/17/79/176151779.db2.gz DZVYHLNVRIWKRN-UHFFFAOYSA-N 1 0 287.306 3.805 10 0 CHAERO C[NH2+]Cc1cc(C)ccc1OCc1ccc(Cl)cc1 ZINC000071403615 176154847 /nfs/dbraw/zinc/15/48/47/176154847.db2.gz PGYMBTDGUPJTTQ-UHFFFAOYSA-N 1 0 275.779 3.947 10 0 CHAERO CCCCc1ccc([C@@H](C)OC2CC[NH2+]CC2)cc1 ZINC000071587914 176215614 /nfs/dbraw/zinc/21/56/14/176215614.db2.gz IXZXGFRHCAYSSL-CQSZACIVSA-N 1 0 261.409 3.859 10 0 CHAERO COc1c(C)cc([C@@H](C)CC[NH2+]C2CC2)c(C)c1C ZINC000076351553 176996263 /nfs/dbraw/zinc/99/62/63/176996263.db2.gz SDWJTKMPVHMSBY-NSHDSACASA-N 1 0 261.409 3.866 10 0 CHAERO [NH3+][C@H]1CCC[C@H](c2cc(Br)ccc2F)C1 ZINC000076413286 177021099 /nfs/dbraw/zinc/02/10/99/177021099.db2.gz BWCSQNGOMJYASN-WPRPVWTQSA-N 1 0 272.161 3.573 10 0 CHAERO CCc1ccc([C@H](C[NH3+])CCc2ccccc2)cc1 ZINC000076657542 177046453 /nfs/dbraw/zinc/04/64/53/177046453.db2.gz BMAAKWLKMXEYIM-SFHVURJKSA-N 1 0 253.389 3.924 10 0 CHAERO C[C@@H](CC[NH3+])COc1ccc(-c2ccccc2)cc1 ZINC000076660581 177048522 /nfs/dbraw/zinc/04/85/22/177048522.db2.gz QGTZEUSONZSDRH-AWEZNQCLSA-N 1 0 255.361 3.717 10 0 CHAERO Cc1cccc([C@@H](C[NH3+])CCOc2ccccc2)c1 ZINC000076660458 177048644 /nfs/dbraw/zinc/04/86/44/177048644.db2.gz AQTYJCMPMFVSPI-MRXNPFEDSA-N 1 0 255.361 3.506 10 0 CHAERO CCOc1cc(C)c([C@H](CC)CC[NH3+])cc1Cl ZINC000076661495 177049103 /nfs/dbraw/zinc/04/91/03/177049103.db2.gz RRXYOSFMOVBRFY-LLVKDONJSA-N 1 0 255.789 3.890 10 0 CHAERO Cc1ccc(C)c([C@H](CC[NH3+])CCc2ccco2)c1 ZINC000076664940 177050656 /nfs/dbraw/zinc/05/06/56/177050656.db2.gz NINMWUKRTSIIEW-HNNXBMFYSA-N 1 0 257.377 3.962 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccc(Cl)cc1)c1cccnc1 ZINC000076722142 177069737 /nfs/dbraw/zinc/06/97/37/177069737.db2.gz FLQVMKCXFAYQSN-CQSZACIVSA-N 1 0 274.795 3.800 10 0 CHAERO C[NH2+][C@H](C)c1csc(Cc2ccc(Cl)cc2)n1 ZINC000076732844 177073979 /nfs/dbraw/zinc/07/39/79/177073979.db2.gz JRDVOYIYZSWALP-SECBINFHSA-N 1 0 266.797 3.668 10 0 CHAERO CC[C@@H]([NH2+][C@H](CC(C)C)CN(C)C)c1ccc(OC)cc1 ZINC000037166868 260072216 /nfs/dbraw/zinc/07/22/16/260072216.db2.gz GIVHHHNNCSFIER-SJLPKXTDSA-N 1 0 292.467 3.712 10 0 CHAERO CC(C)CCC[C@H](C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037231895 260076363 /nfs/dbraw/zinc/07/63/63/260076363.db2.gz KCPYHBCHXUYBOV-HOCLYGCPSA-N 1 0 288.435 3.899 10 0 CHAERO C[NH+](C)C[C@@H](NCc1ccsc1Cl)c1ccccc1 ZINC000312634925 260185980 /nfs/dbraw/zinc/18/59/80/260185980.db2.gz XYPFKXOSXQEBRP-CQSZACIVSA-N 1 0 294.851 3.794 10 0 CHAERO CCC(CC)[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)c1ccccc1 ZINC000087522533 260187281 /nfs/dbraw/zinc/18/72/81/260187281.db2.gz OFISONNDKYDLCO-IRXDYDNUSA-N 1 0 290.451 3.511 10 0 CHAERO C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000222570685 260226124 /nfs/dbraw/zinc/22/61/24/260226124.db2.gz ZZWWLJNGNWRKRE-SOUVJXGZSA-N 1 0 255.446 3.590 10 0 CHAERO COc1cc(C)nc(C[NH2+][C@H](C)c2cccc(C)c2)c1 ZINC000214072009 260227781 /nfs/dbraw/zinc/22/77/81/260227781.db2.gz VRCWDPYPNREUHX-CQSZACIVSA-N 1 0 270.376 3.558 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)cn1 ZINC000092195347 260267942 /nfs/dbraw/zinc/26/79/42/260267942.db2.gz OZOURVRXLFZICE-BZNIZROVSA-N 1 0 256.324 3.559 10 0 CHAERO CCC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccccc1 ZINC000040502443 260284948 /nfs/dbraw/zinc/28/49/48/260284948.db2.gz MWAOEJKESMXXMS-IRXDYDNUSA-N 1 0 260.425 3.602 10 0 CHAERO Cc1c(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)cnn1C ZINC000093649286 260297634 /nfs/dbraw/zinc/29/76/34/260297634.db2.gz NPEXIASKZMWNEC-SECBINFHSA-N 1 0 298.217 3.886 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)C(C)C ZINC000126472224 260353357 /nfs/dbraw/zinc/35/33/57/260353357.db2.gz KQLPXUBASMZSJW-DTWKUNHWSA-N 1 0 291.258 3.991 10 0 CHAERO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000128476452 260374804 /nfs/dbraw/zinc/37/48/04/260374804.db2.gz XFINKCXLQONRPW-SJORKVTESA-N 1 0 283.346 3.926 10 0 CHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000132668942 260505033 /nfs/dbraw/zinc/50/50/33/260505033.db2.gz WAVMGXORHQNBER-DOTOQJQBSA-N 1 0 273.420 3.859 10 0 CHAERO C[C@H]1CC[C@@H]([NH2+]Cc2cccn2C)c2ccccc21 ZINC000154175602 261088577 /nfs/dbraw/zinc/08/85/77/261088577.db2.gz CLSVXGKZFZIFCD-SUMWQHHRSA-N 1 0 254.377 3.753 10 0 CHAERO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717586 261315970 /nfs/dbraw/zinc/31/59/70/261315970.db2.gz SLTMPLVZQNRRGM-VXGBXAGGSA-N 1 0 289.379 3.729 10 0 CHAERO CCc1nccn1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000106214408 261323837 /nfs/dbraw/zinc/32/38/37/261323837.db2.gz KYWIGKLRAXRZCB-GOSISDBHSA-N 1 0 297.446 3.715 10 0 CHAERO Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000301978751 261344962 /nfs/dbraw/zinc/34/49/62/261344962.db2.gz ADOUFKHLZTVPAT-WMZOPIPTSA-N 1 0 295.430 3.855 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccco1 ZINC000178065273 261375592 /nfs/dbraw/zinc/37/55/92/261375592.db2.gz WJOQXYVXNGWUIR-KBPBESRZSA-N 1 0 259.349 3.536 10 0 CHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000179003281 261764649 /nfs/dbraw/zinc/76/46/49/261764649.db2.gz KGUDZYLSRRYVON-MRXNPFEDSA-N 1 0 254.377 3.818 10 0 CHAERO COc1ccccc1[C@@H](C)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120421175 262194869 /nfs/dbraw/zinc/19/48/69/262194869.db2.gz ONIOWKCRVIAHAW-QAPCUYQASA-N 1 0 298.430 3.649 10 0 CHAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000228534259 262340439 /nfs/dbraw/zinc/34/04/39/262340439.db2.gz MHKFWAOGSZMWSL-NILFDRSVSA-N 1 0 299.245 3.553 10 0 CHAERO CC1CCC(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094372586 262349939 /nfs/dbraw/zinc/34/99/39/262349939.db2.gz RIZVPNYVAIMDRM-UYSNPLJNSA-N 1 0 297.508 3.847 10 0 CHAERO Clc1ncc(C[N@@H+]2CCCC23CCCC3)s1 ZINC000366101767 263103629 /nfs/dbraw/zinc/10/36/29/263103629.db2.gz CEKBHIUKBQCQLY-UHFFFAOYSA-N 1 0 256.802 3.705 10 0 CHAERO CCC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccsc1 ZINC000187729368 263267336 /nfs/dbraw/zinc/26/73/36/263267336.db2.gz IWTLZDVVDCMBTG-SNPRPXQTSA-N 1 0 267.438 3.730 10 0 CHAERO CCc1ccccc1C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000188923851 264253532 /nfs/dbraw/zinc/25/35/32/264253532.db2.gz RBBPFKREBXKSHG-UHFFFAOYSA-N 1 0 297.446 3.845 10 0 CHAERO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000148853724 264377597 /nfs/dbraw/zinc/37/75/97/264377597.db2.gz WVWNDDWRVKZZTD-CYBMUJFWSA-N 1 0 271.408 3.703 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2C)cc1F ZINC000094837991 265263490 /nfs/dbraw/zinc/26/34/90/265263490.db2.gz GMWXWXXJYYFNLN-ZDUSSCGKSA-N 1 0 258.340 3.688 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2C)c(C)c1 ZINC000228660817 267250142 /nfs/dbraw/zinc/25/01/42/267250142.db2.gz TUKJKJCZCBPHEK-HNNXBMFYSA-N 1 0 254.377 3.858 10 0 CHAERO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000289997597 328257299 /nfs/dbraw/zinc/25/72/99/328257299.db2.gz STUZMZFDZSQZRQ-ZDUSSCGKSA-N 1 0 257.381 3.692 10 0 CHAERO CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C(C)C ZINC000049127419 328341700 /nfs/dbraw/zinc/34/17/00/328341700.db2.gz JVSSCFGABAGDPE-ZDUSSCGKSA-N 1 0 283.799 3.635 10 0 CHAERO CC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C(C)C ZINC000049127906 328341536 /nfs/dbraw/zinc/34/15/36/328341536.db2.gz OGAIJVOMAJDKND-IBGZPJMESA-N 1 0 288.479 3.718 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000050182392 328388098 /nfs/dbraw/zinc/38/80/98/328388098.db2.gz GAAINVUWPVEQDM-CVEARBPZSA-N 1 0 277.456 3.845 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000050182391 328388225 /nfs/dbraw/zinc/38/82/25/328388225.db2.gz GAAINVUWPVEQDM-HZPDHXFCSA-N 1 0 277.456 3.845 10 0 CHAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000036960593 326901410 /nfs/dbraw/zinc/90/14/10/326901410.db2.gz PGROYRWRDQCXQZ-TZMCWYRMSA-N 1 0 273.376 3.878 10 0 CHAERO COc1cc([C@H](C)[NH2+][C@H]2COc3ccccc32)ccc1F ZINC000092825397 327103862 /nfs/dbraw/zinc/10/38/62/327103862.db2.gz DZVMSFXYULXTLJ-NHYWBVRUSA-N 1 0 287.334 3.619 10 0 CHAERO COc1cc([C@@H](C)[NH2+][C@H]2COc3ccccc32)ccc1F ZINC000092825398 327103894 /nfs/dbraw/zinc/10/38/94/327103894.db2.gz DZVMSFXYULXTLJ-ABAIWWIYSA-N 1 0 287.334 3.619 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2ccccc2C)c1C ZINC000094182940 327146874 /nfs/dbraw/zinc/14/68/74/327146874.db2.gz RQLGHRQXYZTBOD-AWEZNQCLSA-N 1 0 285.435 3.722 10 0 CHAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000092789081 327195278 /nfs/dbraw/zinc/19/52/78/327195278.db2.gz VNPUQDJWRACFNL-LLVKDONJSA-N 1 0 293.461 3.542 10 0 CHAERO Fc1ccccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000040768528 327197470 /nfs/dbraw/zinc/19/74/70/327197470.db2.gz UFAKHCCCBHZQTB-UHFFFAOYSA-N 1 0 281.334 3.506 10 0 CHAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000102690920 328712801 /nfs/dbraw/zinc/71/28/01/328712801.db2.gz UWIISCDAKYIHFC-AWEZNQCLSA-N 1 0 298.430 3.795 10 0 CHAERO CCCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000324642294 328763596 /nfs/dbraw/zinc/76/35/96/328763596.db2.gz XUWDXDYLODNSEU-CVEARBPZSA-N 1 0 263.425 3.915 10 0 CHAERO CCSCC[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000336789442 328957321 /nfs/dbraw/zinc/95/73/21/328957321.db2.gz TTWDQLSMPNTUHZ-CYBMUJFWSA-N 1 0 265.422 3.632 10 0 CHAERO Cc1ccc(-c2cc(C[N@@H+]3CCS[C@@H](C)C3)on2)cc1 ZINC000171690900 329078618 /nfs/dbraw/zinc/07/86/18/329078618.db2.gz DHHGQSZNESCCSV-ZDUSSCGKSA-N 1 0 288.416 3.587 10 0 CHAERO Clc1ccccc1-c1cnc(C[NH+]2CCCC2)o1 ZINC000173492301 329147182 /nfs/dbraw/zinc/14/71/82/329147182.db2.gz KFQTXJAAYTUSCI-UHFFFAOYSA-N 1 0 262.740 3.591 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000178321393 329198607 /nfs/dbraw/zinc/19/86/07/329198607.db2.gz AHCKFSDBLCWTST-LBPRGKRZSA-N 1 0 295.839 3.571 10 0 CHAERO Fc1ccc2c(C3=CC[N@H+](Cc4cc[nH]c4)CC3)c[nH]c2c1 ZINC000179799622 329212199 /nfs/dbraw/zinc/21/21/99/329212199.db2.gz BTOIZZCBTUEBFN-UHFFFAOYSA-N 1 0 295.361 3.924 10 0 CHAERO c1csc(C2=CC[N@H+](Cc3cnn4ccccc34)CC2)c1 ZINC000179817861 329212589 /nfs/dbraw/zinc/21/25/89/329212589.db2.gz ZIFSJXCUORSEQG-UHFFFAOYSA-N 1 0 295.411 3.685 10 0 CHAERO C[C@@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccco1 ZINC000180014378 329214530 /nfs/dbraw/zinc/21/45/30/329214530.db2.gz CMAUVZHQZWLLRA-ZIAGYGMSSA-N 1 0 270.376 3.554 10 0 CHAERO CC/C=C/CC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000184529489 329259639 /nfs/dbraw/zinc/25/96/39/329259639.db2.gz YKHCPTATALDOLE-LFAOLKIESA-N 1 0 261.413 3.530 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+]C2CCC(CC)CC2)C12CCOCC2 ZINC000186259751 329340963 /nfs/dbraw/zinc/34/09/63/329340963.db2.gz OMGRUHQDJFNFAR-SJJHQCBESA-N 1 0 295.467 3.519 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(CC)CC2)C12CCOCC2 ZINC000186259738 329340979 /nfs/dbraw/zinc/34/09/79/329340979.db2.gz OMGRUHQDJFNFAR-BHUNQDJPSA-N 1 0 295.467 3.519 10 0 CHAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000187126065 329353477 /nfs/dbraw/zinc/35/34/77/329353477.db2.gz FLYSTLYNSDMRJB-LJQANCHMSA-N 1 0 297.446 3.679 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1 ZINC000188952230 329376149 /nfs/dbraw/zinc/37/61/49/329376149.db2.gz YFTNIFRBTIBOGN-INIZCTEOSA-N 1 0 289.325 3.887 10 0 CHAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000397825233 329399401 /nfs/dbraw/zinc/39/94/01/329399401.db2.gz ARZOAJQMLDXUDT-KCXAZCMYSA-N 1 0 261.434 3.795 10 0 CHAERO CC1(C)C[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000045117457 329597014 /nfs/dbraw/zinc/59/70/14/329597014.db2.gz SCOCPGOLINCLRT-VXGBXAGGSA-N 1 0 251.370 3.751 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)o1 ZINC000128231690 329606195 /nfs/dbraw/zinc/60/61/95/329606195.db2.gz SCPHXESWUMEWEB-HNNXBMFYSA-N 1 0 299.418 3.611 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000128785182 329611880 /nfs/dbraw/zinc/61/18/80/329611880.db2.gz AWNWMFOHGNVVBV-OWYVNGRQSA-N 1 0 280.209 3.825 10 0 CHAERO CC[C@@H](c1ccccc1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503882 329692424 /nfs/dbraw/zinc/69/24/24/329692424.db2.gz PLMQPKHLARYFSU-KRWDZBQOSA-N 1 0 283.419 3.751 10 0 CHAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccsc1 ZINC000245918604 329759268 /nfs/dbraw/zinc/75/92/68/329759268.db2.gz PQPZYPRABIHICH-MYPMTAMASA-N 1 0 277.433 3.746 10 0 CHAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1OCC ZINC000247158554 329877013 /nfs/dbraw/zinc/87/70/13/329877013.db2.gz XNMXGGMMBRASGG-MBNYWOFBSA-N 1 0 263.381 3.543 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)cc1 ZINC000248707378 329897566 /nfs/dbraw/zinc/89/75/66/329897566.db2.gz AWIPLZRKGIJPJS-IUIKQTSFSA-N 1 0 279.811 3.948 10 0 CHAERO Cc1cncc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000248748477 329898698 /nfs/dbraw/zinc/89/86/98/329898698.db2.gz SQMWUAZGAUBNPS-IPELMVKDSA-N 1 0 296.414 3.961 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(F)c1F ZINC000248832679 329900299 /nfs/dbraw/zinc/90/02/99/329900299.db2.gz MRPMXLACHBPTOO-JVLSTEMRSA-N 1 0 281.346 3.573 10 0 CHAERO FC(F)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248851073 329900771 /nfs/dbraw/zinc/90/07/71/329900771.db2.gz OUGUZHCNTPDGHC-RRFJBIMHSA-N 1 0 293.357 3.671 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1Cl ZINC000248908318 329902303 /nfs/dbraw/zinc/90/23/03/329902303.db2.gz VCAGCSJIUGDCKC-NORZTCDRSA-N 1 0 279.811 3.948 10 0 CHAERO C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1ccco1 ZINC000379615235 330141882 /nfs/dbraw/zinc/14/18/82/330141882.db2.gz AKTAEYQPGUCCGF-SJLPKXTDSA-N 1 0 298.430 3.985 10 0 CHAERO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)c(F)c1 ZINC000036325015 330254058 /nfs/dbraw/zinc/25/40/58/330254058.db2.gz TWOOTSKPHQZOKV-SNVBAGLBSA-N 1 0 291.297 3.544 10 0 CHAERO CCCC[NH+](CCCC)Cc1nc(-c2ccoc2)no1 ZINC000105607908 330327531 /nfs/dbraw/zinc/32/75/31/330327531.db2.gz FZENGROLWVPDFR-UHFFFAOYSA-N 1 0 277.368 3.732 10 0 CHAERO COCCC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000105689690 330327994 /nfs/dbraw/zinc/32/79/94/330327994.db2.gz MFUHLLNTKHIMGB-GOSISDBHSA-N 1 0 269.388 3.711 10 0 CHAERO CC[C@H]1CC[C@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000080428963 330355689 /nfs/dbraw/zinc/35/56/89/330355689.db2.gz UHTLKYHMRUULGN-GJZGRUSLSA-N 1 0 253.430 3.894 10 0 CHAERO Cc1ccc(F)c(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000116912695 330361360 /nfs/dbraw/zinc/36/13/60/330361360.db2.gz SKGKPAFTBATMPR-KRWDZBQOSA-N 1 0 255.336 3.911 10 0 CHAERO Cc1ccc(-c2nc(CC[NH2+]C(C)C)cs2)cc1 ZINC000084623416 330362551 /nfs/dbraw/zinc/36/25/51/330362551.db2.gz WPBOHQOQRMQLPV-UHFFFAOYSA-N 1 0 260.406 3.659 10 0 CHAERO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC000086946960 330371404 /nfs/dbraw/zinc/37/14/04/330371404.db2.gz FYLLQUPGFVBOEK-CVEARBPZSA-N 1 0 253.430 3.608 10 0 CHAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000119304828 330372521 /nfs/dbraw/zinc/37/25/21/330372521.db2.gz URPRSMCDQSNVPW-HUUCEWRRSA-N 1 0 298.430 3.795 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc2ccccc2c1 ZINC000119817171 330380066 /nfs/dbraw/zinc/38/00/66/330380066.db2.gz GSRWLPVCRCZARA-DCGLDWPTSA-N 1 0 255.361 3.668 10 0 CHAERO CCC[C@H]1C[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000536955212 330383090 /nfs/dbraw/zinc/38/30/90/330383090.db2.gz VMSWGUDTNSJXGD-WCQYABFASA-N 1 0 268.198 3.552 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(F)cc1Br ZINC000120447041 330388006 /nfs/dbraw/zinc/38/80/06/330388006.db2.gz YRZMRBRGXKTYJK-LWINAJNOSA-N 1 0 272.161 3.647 10 0 CHAERO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000120466537 330388315 /nfs/dbraw/zinc/38/83/15/330388315.db2.gz OBCFDECGYHDUNV-BKTGTZMESA-N 1 0 299.414 3.803 10 0 CHAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000121381787 330399732 /nfs/dbraw/zinc/39/97/32/330399732.db2.gz RDTNBEUCIGWYAO-STQMWFEESA-N 1 0 296.842 3.638 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)s1 ZINC000153823001 330649260 /nfs/dbraw/zinc/64/92/60/330649260.db2.gz VOGKUISAILSFPY-SCRDCRAPSA-N 1 0 267.438 3.512 10 0 CHAERO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000163648946 331065300 /nfs/dbraw/zinc/06/53/00/331065300.db2.gz RRTRJBIONDPDES-HNNXBMFYSA-N 1 0 258.409 3.523 10 0 CHAERO CC[C@H](O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000163905413 331138771 /nfs/dbraw/zinc/13/87/71/331138771.db2.gz SBMUWEWTUNUSTB-YUMQZZPRSA-N 1 0 280.170 3.554 10 0 CHAERO CCC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000166060727 331306445 /nfs/dbraw/zinc/30/64/45/331306445.db2.gz URXSVHNEJZYCSQ-PKOBYXMFSA-N 1 0 283.415 3.835 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C[C@H](C)O1 ZINC000466410937 331395685 /nfs/dbraw/zinc/39/56/85/331395685.db2.gz VQLFEVJNYVRXMV-CLLJXQQHSA-N 1 0 296.480 3.734 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2csc(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000466424910 331396461 /nfs/dbraw/zinc/39/64/61/331396461.db2.gz JWTXFLIRPCLCIF-VXGBXAGGSA-N 1 0 296.480 3.734 10 0 CHAERO Cc1cc(C)cc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000466423938 331396547 /nfs/dbraw/zinc/39/65/47/331396547.db2.gz BTTPBRNEDIOOQU-GJZGRUSLSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC(C)(C)C1 ZINC000466425420 331396609 /nfs/dbraw/zinc/39/66/09/331396609.db2.gz MXZBEYOMBRUXEQ-HOSILWTGSA-N 1 0 267.457 3.994 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000466426722 331396683 /nfs/dbraw/zinc/39/66/83/331396683.db2.gz SEBJJWQBNIRUBA-ZHMBSYLPSA-N 1 0 253.430 3.604 10 0 CHAERO Cc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000466427097 331396714 /nfs/dbraw/zinc/39/67/14/331396714.db2.gz VENSPUAIAUBMSW-HUUCEWRRSA-N 1 0 261.409 3.597 10 0 CHAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000178064096 333067378 /nfs/dbraw/zinc/06/73/78/333067378.db2.gz NJTBAPWOCFPDHZ-JKSUJKDBSA-N 1 0 299.414 3.951 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]CCn2cc(Cl)cn2)cc1C ZINC000312025498 333075783 /nfs/dbraw/zinc/07/57/83/333075783.db2.gz WDTWWNPOECBPJS-ZDUSSCGKSA-N 1 0 277.799 3.504 10 0 CHAERO FC(F)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000183926981 333123578 /nfs/dbraw/zinc/12/35/78/333123578.db2.gz HLOAKYILMJCMEG-GJZGRUSLSA-N 1 0 281.346 3.768 10 0 CHAERO CC(C)OC1CC([NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000185061691 333135096 /nfs/dbraw/zinc/13/50/96/333135096.db2.gz WKBIMKSHWAYGEF-QFWMXSHPSA-N 1 0 269.335 3.571 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c1C ZINC000218808381 333136535 /nfs/dbraw/zinc/13/65/35/333136535.db2.gz DYOLCZFMCCPWMH-TYNCELHUSA-N 1 0 263.429 3.749 10 0 CHAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000219017285 333140355 /nfs/dbraw/zinc/14/03/55/333140355.db2.gz QBEUBUBNMFKNAG-RISCZKNCSA-N 1 0 288.218 3.634 10 0 CHAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000219027987 333140443 /nfs/dbraw/zinc/14/04/43/333140443.db2.gz JYEQPHYIBQIGDC-FZMZJTMJSA-N 1 0 288.218 3.634 10 0 CHAERO CCO[C@H]1C[C@H]([NH2+]CC2(CC)CCCC2)C12CCOCC2 ZINC000186387618 333159938 /nfs/dbraw/zinc/15/99/38/333159938.db2.gz BJKKHUJGCCFNSB-HOTGVXAUSA-N 1 0 295.467 3.521 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000220867156 333169925 /nfs/dbraw/zinc/16/99/25/333169925.db2.gz LSZFAULWBHLFMO-AXFHLTTASA-N 1 0 276.302 3.755 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]C2CC(c3cccc(F)c3)C2)o1 ZINC000220938802 333171060 /nfs/dbraw/zinc/17/10/60/333171060.db2.gz ILDWYODAIQOBCZ-ZOODHJKOSA-N 1 0 274.339 3.719 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Cl)ccc1Cl ZINC000222704347 333199162 /nfs/dbraw/zinc/19/91/62/333199162.db2.gz HQIBGZDQTATTPM-PWSUYJOCSA-N 1 0 287.234 3.738 10 0 CHAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000223846983 333212681 /nfs/dbraw/zinc/21/26/81/333212681.db2.gz VRSLRAQHTQFWSX-ZMSDIMECSA-N 1 0 261.409 3.505 10 0 CHAERO Cc1c([C@H](C)[NH2+][C@@H](C)C(C)C)cnn1C(C)(C)C ZINC000191127213 333215072 /nfs/dbraw/zinc/21/50/72/333215072.db2.gz FLDWIBUVIFYHNE-RYUDHWBXSA-N 1 0 251.418 3.642 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C(C)C)CCS2 ZINC000191488541 333220321 /nfs/dbraw/zinc/22/03/21/333220321.db2.gz RTJKZNNZHVCXOI-RISCZKNCSA-N 1 0 265.422 3.866 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CCC2(C)C)CCO1 ZINC000225802673 333240647 /nfs/dbraw/zinc/24/06/47/333240647.db2.gz WQOJLVVWQIHBBP-FRFSOERESA-N 1 0 273.420 3.857 10 0 CHAERO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000226240429 333254813 /nfs/dbraw/zinc/25/48/13/333254813.db2.gz LDJMBUWDLDDTCF-QWHCGFSZSA-N 1 0 289.345 3.675 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000226584099 333265519 /nfs/dbraw/zinc/26/55/19/333265519.db2.gz GQORSZHJVBDZLI-QJPTWQEYSA-N 1 0 285.334 3.506 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(Cl)cc1F)CC2 ZINC000228816406 333297107 /nfs/dbraw/zinc/29/71/07/333297107.db2.gz WQJUWBWUKRXMEN-BBRMVZONSA-N 1 0 297.801 3.606 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2cncc(F)c2)cc1F ZINC000230941625 333322930 /nfs/dbraw/zinc/32/29/30/333322930.db2.gz WCTPFYFLNJJZLH-NSHDSACASA-N 1 0 262.303 3.519 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CCc2cccc(C)c2)o1 ZINC000231900967 333331610 /nfs/dbraw/zinc/33/16/10/333331610.db2.gz OYAOCNJRYFCOON-ZFWWWQNUSA-N 1 0 272.392 3.963 10 0 CHAERO Cc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000236000705 333372855 /nfs/dbraw/zinc/37/28/55/333372855.db2.gz KAHOWODVHWFFNT-NVXWUHKLSA-N 1 0 293.838 3.775 10 0 CHAERO Cc1csc(-c2nc(C3([NH3+])CCCCC3)no2)c1Cl ZINC000236020893 333372911 /nfs/dbraw/zinc/37/29/11/333372911.db2.gz IRWUJEVBGNJYPU-UHFFFAOYSA-N 1 0 297.811 3.878 10 0 CHAERO Cc1nocc1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000339174464 335142075 /nfs/dbraw/zinc/14/20/75/335142075.db2.gz SUISPFJRXXJSMT-LBPRGKRZSA-N 1 0 266.344 3.987 10 0 CHAERO CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037619738 333535283 /nfs/dbraw/zinc/53/52/83/333535283.db2.gz UDXJYPNQBMVGEE-CJNGLKHVSA-N 1 0 290.451 3.679 10 0 CHAERO Oc1cccc2c1CC[C@H]2[NH2+]CCSc1ccccc1 ZINC000037904170 333542704 /nfs/dbraw/zinc/54/27/04/333542704.db2.gz OORGWYRRSHURNM-MRXNPFEDSA-N 1 0 285.412 3.761 10 0 CHAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000126764712 333604887 /nfs/dbraw/zinc/60/48/87/333604887.db2.gz SFJWQBQPYBNEPS-WRWORJQWSA-N 1 0 274.589 3.601 10 0 CHAERO CC(C)[C@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCO1 ZINC000070354209 333808290 /nfs/dbraw/zinc/80/82/90/333808290.db2.gz SWKXYNBTEINURM-CLRIEMFWSA-N 1 0 293.373 3.901 10 0 CHAERO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1)C(C)C ZINC000133261771 334031835 /nfs/dbraw/zinc/03/18/35/334031835.db2.gz LPENNXJLUMGULT-HNNXBMFYSA-N 1 0 290.451 3.691 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccccc1F ZINC000135636424 334134847 /nfs/dbraw/zinc/13/48/47/334134847.db2.gz DAEUGAHWQKDZQQ-XHSDSOJGSA-N 1 0 265.372 3.560 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)C1 ZINC000080429139 334171532 /nfs/dbraw/zinc/17/15/32/334171532.db2.gz PSFZYWFXIDBBQK-WBVHZDCISA-N 1 0 272.436 3.608 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccnc1)[C@H](C)C2 ZINC000245771421 334218784 /nfs/dbraw/zinc/21/87/84/334218784.db2.gz XJFCNGCQQYZXCD-HBUWYVDXSA-N 1 0 266.388 3.974 10 0 CHAERO CCC[C@H](C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000245840998 334221291 /nfs/dbraw/zinc/22/12/91/334221291.db2.gz JWBCMBCFBKLVPI-QZTJIDSGSA-N 1 0 297.446 3.793 10 0 CHAERO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000247926075 334291559 /nfs/dbraw/zinc/29/15/59/334291559.db2.gz BPOWKKFVWOMNPK-HUBLWGQQSA-N 1 0 297.826 3.550 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1csc(Cl)c1 ZINC000248747027 334315579 /nfs/dbraw/zinc/31/55/79/334315579.db2.gz ZHUJRZRAGMKSOF-NHCYSSNCSA-N 1 0 273.829 3.603 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C)CC2)C12CCOCC2 ZINC000249052436 334326010 /nfs/dbraw/zinc/32/60/10/334326010.db2.gz GIMVVBJRTQRRMP-LUKYLMHMSA-N 1 0 295.467 3.519 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1nccnc1C)[C@H](C)C2 ZINC000249195487 334329764 /nfs/dbraw/zinc/32/97/64/334329764.db2.gz QKNNRRBVHVWWPP-SUYBPPKGSA-N 1 0 281.403 3.678 10 0 CHAERO CC[N@H+](Cc1nccn1C(C)C)[C@@H]1CCCC[C@H]1C ZINC000249374285 334332739 /nfs/dbraw/zinc/33/27/39/334332739.db2.gz NUGBIHUOHLCFRK-HUUCEWRRSA-N 1 0 263.429 3.865 10 0 CHAERO Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000250819354 334351308 /nfs/dbraw/zinc/35/13/08/334351308.db2.gz QPAUYXVLXMVTDM-YESZJQIVSA-N 1 0 265.356 3.525 10 0 CHAERO Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000250881114 334352616 /nfs/dbraw/zinc/35/26/16/334352616.db2.gz VQCSUUZATHMKTO-RRQGHBQHSA-N 1 0 260.425 3.940 10 0 CHAERO C[C@@H]1CCCC[C@H]1[NH2+]CCCc1nc2ccccc2n1C ZINC000090050911 334356568 /nfs/dbraw/zinc/35/65/68/334356568.db2.gz GBXZDAWLVKIPKI-HUUCEWRRSA-N 1 0 285.435 3.674 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(C(C)(C)C)cc1 ZINC000251794998 334369766 /nfs/dbraw/zinc/36/97/66/334369766.db2.gz WXTGOFSIIQFLRR-RRQGHBQHSA-N 1 0 275.436 3.938 10 0 CHAERO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000252107063 334373730 /nfs/dbraw/zinc/37/37/30/334373730.db2.gz HDQMQEXMKLQKFL-YCPHGPKFSA-N 1 0 286.419 3.510 10 0 CHAERO CCc1ccc([C@H](CC)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000252436974 334379746 /nfs/dbraw/zinc/37/97/46/334379746.db2.gz SNQSAZMUESDALU-RRQGHBQHSA-N 1 0 261.409 3.857 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000252432271 334379755 /nfs/dbraw/zinc/37/97/55/334379755.db2.gz ZAEOJAYOBWJASL-KLHDSHLOSA-N 1 0 253.430 3.606 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCCCO1 ZINC000271986417 334748826 /nfs/dbraw/zinc/74/88/26/334748826.db2.gz YHADTMXWVXTZCX-RWSFTLGLSA-N 1 0 269.335 3.573 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(-c2ccccc2)o1 ZINC000165289867 334893920 /nfs/dbraw/zinc/89/39/20/334893920.db2.gz UPDHUEHZZAXBMS-IMJJTQAJSA-N 1 0 285.387 3.901 10 0 CHAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180639172 335614983 /nfs/dbraw/zinc/61/49/83/335614983.db2.gz YUQUBJCZKCFXNY-RRFJBIMHSA-N 1 0 292.471 3.521 10 0 CHAERO CC(C)[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccccc1Cl ZINC000183584418 335897971 /nfs/dbraw/zinc/89/79/71/335897971.db2.gz FLKXPFGVFQQHOH-ZENOOKHLSA-N 1 0 279.811 3.564 10 0 CHAERO Cc1csc([C@@H]2CCC[N@H+](CC3CCCC3)C2)n1 ZINC000195441137 336053714 /nfs/dbraw/zinc/05/37/14/336053714.db2.gz IEICSBXCSLIANF-CQSZACIVSA-N 1 0 264.438 3.821 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000381973955 336079321 /nfs/dbraw/zinc/07/93/21/336079321.db2.gz CVUAZTHTEJQWMW-KJPMQGKISA-N 1 0 255.814 3.892 10 0 CHAERO Cc1nnsc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000384223652 336122743 /nfs/dbraw/zinc/12/27/43/336122743.db2.gz FOOQBWOGXYJZFH-HNNXBMFYSA-N 1 0 287.432 3.650 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](CCC1=CCCCC1)CC2 ZINC000385153868 336141058 /nfs/dbraw/zinc/14/10/58/336141058.db2.gz KNBPWNDBUOCKCZ-SJORKVTESA-N 1 0 263.425 3.504 10 0 CHAERO CC(C)[NH2+]C[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052966345 519722510 /nfs/dbraw/zinc/72/25/10/519722510.db2.gz YKFHHISYMBFOGQ-NSHDSACASA-N 1 0 259.315 3.882 10 0 CHAERO CC[NH2+]C[C@H](OCCc1cccs1)c1ccccc1 ZINC000052707649 519974769 /nfs/dbraw/zinc/97/47/69/519974769.db2.gz SYDCAAUJBBKPRC-INIZCTEOSA-N 1 0 275.417 3.658 10 0 CHAERO CC[NH2+]Cc1sc(-c2cccc(OCC)c2)nc1C ZINC000052330326 520031608 /nfs/dbraw/zinc/03/16/08/520031608.db2.gz AMPJIHGHOLQOTJ-UHFFFAOYSA-N 1 0 276.405 3.627 10 0 CHAERO CC[NH2+]Cc1sc(N(C)[C@H](C)CC(C)C)nc1CC ZINC000055001568 520033575 /nfs/dbraw/zinc/03/35/75/520033575.db2.gz YNGXNJZWNNEHAY-GFCCVEGCSA-N 1 0 283.485 3.686 10 0 CHAERO CCNc1ncccc1C[N@H+](C)C1CCC(C)CC1 ZINC000052730273 520376317 /nfs/dbraw/zinc/37/63/17/520376317.db2.gz ROOVKPFZPRSXMN-UHFFFAOYSA-N 1 0 261.413 3.524 10 0 CHAERO CCCc1nc(N(CC)[C@H](C)CC)sc1C[NH2+]CC ZINC000054996899 521530868 /nfs/dbraw/zinc/53/08/68/521530868.db2.gz YEJRRKYOUOSBMF-GFCCVEGCSA-N 1 0 283.485 3.830 10 0 CHAERO C[NH2+]Cc1oc(COc2cccc(Cl)c2)cc1C ZINC000052674647 522159926 /nfs/dbraw/zinc/15/99/26/522159926.db2.gz RBTJLUVBELLMQI-UHFFFAOYSA-N 1 0 265.740 3.540 10 0 CHAERO CC[C@H]([NH3+])[C@H](OC1CCC1)c1ccc(Cl)cc1 ZINC000050519217 522340949 /nfs/dbraw/zinc/34/09/49/522340949.db2.gz HWNYTLJNVIMWNX-UONOGXRCSA-N 1 0 253.773 3.688 10 0 CHAERO CC[C@H]([NH3+])c1ccc(-c2ccccc2COC)s1 ZINC000049511058 522345842 /nfs/dbraw/zinc/34/58/42/522345842.db2.gz HMRLWVZPOXGTMB-ZDUSSCGKSA-N 1 0 261.390 3.971 10 0 CHAERO CCc1nc(N(C)c2cccc(C)c2)sc1C[NH2+]C ZINC000054999396 522381514 /nfs/dbraw/zinc/38/15/14/522381514.db2.gz GLSWPSUJQAMABQ-UHFFFAOYSA-N 1 0 275.421 3.501 10 0 CHAERO C/C=C/COCc1cc(C[NH2+]C(C)(C)C)oc1C ZINC000052594969 518517880 /nfs/dbraw/zinc/51/78/80/518517880.db2.gz CRYUBFZVLXEQKK-VOTSOKGWSA-N 1 0 251.370 3.569 10 0 CHAERO C/C=C/c1ccccc1OCc1cccc(C[NH3+])c1 ZINC000052598462 518556206 /nfs/dbraw/zinc/55/62/06/518556206.db2.gz ZDAIDQRWXDMZFP-QHHAFSJGSA-N 1 0 253.345 3.757 10 0 CHAERO CC(C)(C)[NH2+]C[C@H]1C[C@@]1(C)c1c(F)cccc1F ZINC000054597082 518761947 /nfs/dbraw/zinc/76/19/47/518761947.db2.gz JPHQEJSFMPZMJY-MEBBXXQBSA-N 1 0 253.336 3.631 10 0 CHAERO CC(C)(C)[NH2+]Cc1ccc(OCc2cccs2)nc1 ZINC000051572415 518764957 /nfs/dbraw/zinc/76/49/57/518764957.db2.gz WMFRMNBIQPAPPU-UHFFFAOYSA-N 1 0 276.405 3.610 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@]1([NH3+])c1cncc(F)c1 ZINC000049575971 518936255 /nfs/dbraw/zinc/93/62/55/518936255.db2.gz ATTGCTYZQGASFT-ZFWWWQNUSA-N 1 0 250.361 3.611 10 0 CHAERO CC(C)(C)c1cccc(OCc2cc(C[NH3+])co2)c1 ZINC000052699067 519056486 /nfs/dbraw/zinc/05/64/86/519056486.db2.gz QRUNMLKCKCVJNM-UHFFFAOYSA-N 1 0 259.349 3.615 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccccc1Cl ZINC000062671498 519273232 /nfs/dbraw/zinc/27/32/32/519273232.db2.gz OPRWHNRRPXDXFD-DZGCQCFKSA-N 1 0 280.843 3.548 10 0 CHAERO CC(C)[NH2+]CCCCO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000052629130 519720542 /nfs/dbraw/zinc/72/05/42/519720542.db2.gz NKODOIKQCRJVNM-LSDHHAIUSA-N 1 0 255.446 3.996 10 0 CHAERO CC(C)[NH2+]C[C@@H](Oc1ccc(Cl)cc1)C(C)C ZINC000052664902 519722977 /nfs/dbraw/zinc/72/29/77/519722977.db2.gz VJLSNSHDCUJFDB-CQSZACIVSA-N 1 0 255.789 3.741 10 0 CHAERO CC(C)[NH2+]C[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000052966087 519724770 /nfs/dbraw/zinc/72/47/70/519724770.db2.gz RMIRBOIHHCEEGO-LLVKDONJSA-N 1 0 275.314 3.762 10 0 CHAERO CC(C)C[NH2+]C[C@@H](C)Oc1cccc2ccccc21 ZINC000052676122 519744835 /nfs/dbraw/zinc/74/48/35/519744835.db2.gz JUBUDLDVFKUTEY-CQSZACIVSA-N 1 0 257.377 3.853 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@H]1c1ccc(OC(C)C)cc1 ZINC000054597890 519746439 /nfs/dbraw/zinc/74/64/39/519746439.db2.gz NZNOPGUGIGLXBY-WBVHZDCISA-N 1 0 261.409 3.823 10 0 CHAERO CC(C)C[NH2+]Cc1cc(F)ccc1N1CCC[C@H]1C ZINC000062736476 519746767 /nfs/dbraw/zinc/74/67/67/519746767.db2.gz CCAVJZZZDGFEKH-CYBMUJFWSA-N 1 0 264.388 3.560 10 0 CHAERO CC(C)Oc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070176 519779912 /nfs/dbraw/zinc/77/99/12/519779912.db2.gz FOJHNLHPHOVASS-KRWDZBQOSA-N 1 0 283.371 3.697 10 0 CHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000151673473 519792456 /nfs/dbraw/zinc/79/24/56/519792456.db2.gz HLBZYAONLODOGM-ZIAGYGMSSA-N 1 0 257.381 3.567 10 0 CHAERO CC(C)[C@@H]1C[N@H+](CCCc2ccccc2)[C@H](C(C)C)CN1 ZINC000062705140 519804466 /nfs/dbraw/zinc/80/44/66/519804466.db2.gz PYHNPUXPPOMURA-OALUTQOASA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)[C@@H]1CN(C2CCCCC2)c2ccccc2C[NH2+]1 ZINC000062666592 519804505 /nfs/dbraw/zinc/80/45/05/519804505.db2.gz NKQUGLPMMPQACT-KRWDZBQOSA-N 1 0 272.436 3.954 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(C(C)(C)C)cc1 ZINC000062705127 519804818 /nfs/dbraw/zinc/80/48/18/519804818.db2.gz IUWMFSRWFHSGCK-YJBOKZPZSA-N 1 0 288.479 3.802 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1Cc1ccc(C(C)(C)C)cc1 ZINC000062705126 519804904 /nfs/dbraw/zinc/80/49/04/519804904.db2.gz IUWMFSRWFHSGCK-QAPCUYQASA-N 1 0 288.479 3.802 10 0 CHAERO CCCC1CCC([NH2+][C@H]2CCCCC[C@@H]2O)CC1 ZINC000049545130 519899201 /nfs/dbraw/zinc/89/92/01/519899201.db2.gz JVSWBGLEQMDUDO-CKUJCDMFSA-N 1 0 253.430 3.629 10 0 CHAERO CCC[NH2+]C[C@@H](C(C)C)N(C)[C@@H](C)c1cccs1 ZINC000052506390 519920648 /nfs/dbraw/zinc/92/06/48/519920648.db2.gz QHSJPVILVGTHQU-KBPBESRZSA-N 1 0 268.470 3.765 10 0 CHAERO CCC[NH2+]C[C@@H](CC)Oc1ccccc1OCCC ZINC000052649850 519921050 /nfs/dbraw/zinc/92/10/50/519921050.db2.gz RVNQMYHCTQIDLJ-CQSZACIVSA-N 1 0 265.397 3.632 10 0 CHAERO CCC[NH2+]C[C@H](OC(C)C)c1ccc(Cl)cc1 ZINC000050483382 519932838 /nfs/dbraw/zinc/93/28/38/519932838.db2.gz CAMXYTIMXNVGNN-AWEZNQCLSA-N 1 0 255.789 3.806 10 0 CHAERO CCC[NH2+]C[C@H](OCc1ccco1)c1ccccc1 ZINC000052602070 519934417 /nfs/dbraw/zinc/93/44/17/519934417.db2.gz VUTWPDJCNYNKTP-INIZCTEOSA-N 1 0 259.349 3.537 10 0 CHAERO CCC[NH2+]Cc1cc(OCCC)nc2ccccc12 ZINC000051543768 519948207 /nfs/dbraw/zinc/94/82/07/519948207.db2.gz VYZDMGYAVFEWJC-UHFFFAOYSA-N 1 0 258.365 3.523 10 0 CHAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc2cc(OC)ccc2c1 ZINC000054590301 519956453 /nfs/dbraw/zinc/95/64/53/519956453.db2.gz LLOFFISWJOKNJV-DOTOQJQBSA-N 1 0 255.361 3.561 10 0 CHAERO CC[NH2+]C[C@H](OCCCC(C)C)c1cccc(F)c1 ZINC000050496900 519972866 /nfs/dbraw/zinc/97/28/66/519972866.db2.gz MODXRRXSSPPWCK-INIZCTEOSA-N 1 0 267.388 3.929 10 0 CHAERO CC[NH2+]Cc1c2ccccc2oc1COCC(C)C ZINC000052622649 519984789 /nfs/dbraw/zinc/98/47/89/519984789.db2.gz LCIHHBQUUCTYAJ-UHFFFAOYSA-N 1 0 261.365 3.715 10 0 CHAERO CCC[NH2+][C@@H](CSC)c1ccccc1OC(F)(F)F ZINC000055229930 520014204 /nfs/dbraw/zinc/01/42/04/520014204.db2.gz ZSKCKGBWNQQNBB-NSHDSACASA-N 1 0 293.354 3.989 10 0 CHAERO CCC[NH2+][C@@H]1CC[C@@H](CCC)C[C@H]1OC1CCC1 ZINC000050520376 520027259 /nfs/dbraw/zinc/02/72/59/520027259.db2.gz UAHOPDSYHXNAMI-FVQBIDKESA-N 1 0 253.430 3.893 10 0 CHAERO CC[NH2+][C@@H](C)c1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000054721246 520079877 /nfs/dbraw/zinc/07/98/77/520079877.db2.gz FPRRFSCKBULOCK-JTQLQIEISA-N 1 0 298.217 3.909 10 0 CHAERO CCCCCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000157739542 520080587 /nfs/dbraw/zinc/08/05/87/520080587.db2.gz BZJNZQPZNYNNQX-HNNXBMFYSA-N 1 0 290.455 3.722 10 0 CHAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1C[C@@H]1C ZINC000052945129 520087356 /nfs/dbraw/zinc/08/73/56/520087356.db2.gz QDVVVBSHHBJJJG-TUKIKUTGSA-N 1 0 251.801 3.907 10 0 CHAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(F)cc1C ZINC000055205281 520109076 /nfs/dbraw/zinc/10/90/76/520109076.db2.gz SHMXJMLNXIULNR-INIZCTEOSA-N 1 0 261.315 3.972 10 0 CHAERO CCCNc1ccc(Cl)c(C[N@H+](C)CC(C)C)n1 ZINC000061631057 520162016 /nfs/dbraw/zinc/16/20/16/520162016.db2.gz JKZNWCOYHTUFPO-UHFFFAOYSA-N 1 0 269.820 3.645 10 0 CHAERO CCCNc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000061630689 520163763 /nfs/dbraw/zinc/16/37/63/520163763.db2.gz LAFIKNGQOKXIBC-LBPRGKRZSA-N 1 0 281.831 3.789 10 0 CHAERO CCCCCN(c1ncc(C[NH2+]CC)s1)C(C)C ZINC000054908213 520178495 /nfs/dbraw/zinc/17/84/95/520178495.db2.gz ROWBAPJVFIUFPA-UHFFFAOYSA-N 1 0 269.458 3.658 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(OC[C@@H](C)CC)c(OC)c1 ZINC000050423769 520179409 /nfs/dbraw/zinc/17/94/09/520179409.db2.gz DIKQNRTXZGIIHL-QWHCGFSZSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)[C@H]1CCCCO1 ZINC000050962094 520205912 /nfs/dbraw/zinc/20/59/12/520205912.db2.gz HGGBYAMFARPWFE-WBVHZDCISA-N 1 0 261.409 3.832 10 0 CHAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H](C)OC1CCC1 ZINC000050519711 520207243 /nfs/dbraw/zinc/20/72/43/520207243.db2.gz MULDBZBELJTTDS-DYVFJYSZSA-N 1 0 261.409 3.857 10 0 CHAERO CCCOc1ccc([C@@H](C)[NH2+]Cc2conc2C)cc1 ZINC000293511884 520414000 /nfs/dbraw/zinc/41/40/00/520414000.db2.gz ICZQUDOOCKFOIK-GFCCVEGCSA-N 1 0 274.364 3.623 10 0 CHAERO CCN(CC(C)C)c1nc(C(C)(C)C)c(C[NH2+]C)s1 ZINC000054996297 520415485 /nfs/dbraw/zinc/41/54/85/520415485.db2.gz SVXGMTRKNIVSGH-UHFFFAOYSA-N 1 0 283.485 3.642 10 0 CHAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1ccncc1 ZINC000126158128 520416703 /nfs/dbraw/zinc/41/67/03/520416703.db2.gz ZXSVSIKFROYBKR-QGZVFWFLSA-N 1 0 266.388 3.885 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+]Cc2conc2C)cc1 ZINC000293511885 520427811 /nfs/dbraw/zinc/42/78/11/520427811.db2.gz ICZQUDOOCKFOIK-LBPRGKRZSA-N 1 0 274.364 3.623 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000019957738 520428063 /nfs/dbraw/zinc/42/80/63/520428063.db2.gz URGPFPHINCKLTQ-AWEZNQCLSA-N 1 0 270.376 3.721 10 0 CHAERO CCCCN(CC)c1nc2c(s1)[C@H]([NH2+]CC)CCC2 ZINC000054901640 520483303 /nfs/dbraw/zinc/48/33/03/520483303.db2.gz ZASRWLJLICOUJQ-GFCCVEGCSA-N 1 0 281.469 3.756 10 0 CHAERO CCCOc1ccccc1O[C@H](C)CCC[NH2+]CC ZINC000052649967 520485588 /nfs/dbraw/zinc/48/55/88/520485588.db2.gz VHVHEQFFBNOORS-CQSZACIVSA-N 1 0 265.397 3.632 10 0 CHAERO CCCC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062668302 520598969 /nfs/dbraw/zinc/59/89/69/520598969.db2.gz LVYWDELALFJLSA-ZWKOTPCHSA-N 1 0 274.452 3.848 10 0 CHAERO CCC[C@@H](C)C[C@H](C[NH2+]C)Cc1ccccc1OC ZINC000052980168 520636022 /nfs/dbraw/zinc/63/60/22/520636022.db2.gz HVYQDLFNIUGFER-CABCVRRESA-N 1 0 263.425 3.900 10 0 CHAERO CC1(CCc2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000062951025 520700817 /nfs/dbraw/zinc/70/08/17/520700817.db2.gz KJMWJPGRYPVOPQ-UHFFFAOYSA-N 1 0 269.335 3.610 10 0 CHAERO CCCCO[C@@H](C[NH2+]C(C)C)c1ccccc1F ZINC000050483297 520822951 /nfs/dbraw/zinc/82/29/51/520822951.db2.gz YVXHOMJSOSSTSL-HNNXBMFYSA-N 1 0 253.361 3.682 10 0 CHAERO CCCC[C@@H](C)[NH2+]Cc1cccc(OCC)c1OC ZINC000050887535 521007911 /nfs/dbraw/zinc/00/79/11/521007911.db2.gz KLXJYHKGORRSER-CYBMUJFWSA-N 1 0 265.397 3.762 10 0 CHAERO CCCC[C@@H](CC)c1nnc(CCC[NH2+]C(C)C)o1 ZINC000050617450 521040522 /nfs/dbraw/zinc/04/05/22/521040522.db2.gz SSMVRIIJDNPZEV-CYBMUJFWSA-N 1 0 267.417 3.684 10 0 CHAERO CCCC[C@H](C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000050889890 521148563 /nfs/dbraw/zinc/14/85/63/521148563.db2.gz VWUJVHGVEGZHPZ-GXTWGEPZSA-N 1 0 262.422 3.999 10 0 CHAERO CCCC[C@H](CC)Cn1nc(C)c(C[C@H](C)[NH3+])c1C ZINC000054741128 521180659 /nfs/dbraw/zinc/18/06/59/521180659.db2.gz NNQWUQHMMFKFDA-WFASDCNBSA-N 1 0 265.445 3.606 10 0 CHAERO CCCCc1ccc([C@@H]([NH2+]C)[C@H]2CCCCO2)cc1 ZINC000050961558 521286092 /nfs/dbraw/zinc/28/60/92/521286092.db2.gz NUKILIQZUSSJHD-IAGOWNOFSA-N 1 0 261.409 3.859 10 0 CHAERO CCOc1cccc([C@@H](C[NH3+])Nc2ccc(C)cc2)c1 ZINC000057565574 521413807 /nfs/dbraw/zinc/41/38/07/521413807.db2.gz JMUTUNSPUFFLLT-QGZVFWFLSA-N 1 0 270.376 3.506 10 0 CHAERO CCOc1cccc([C@H]([NH3+])c2ccc(C)cc2C)c1 ZINC000055235850 521422202 /nfs/dbraw/zinc/42/22/02/521422202.db2.gz NHMHZIQIGDYDCK-KRWDZBQOSA-N 1 0 255.361 3.750 10 0 CHAERO CCN(c1ncc(C[NH2+]C(C)(C)C)s1)C1CCCC1 ZINC000054903407 521507503 /nfs/dbraw/zinc/50/75/03/521507503.db2.gz NFUDDRAFLCNSLD-UHFFFAOYSA-N 1 0 281.469 3.800 10 0 CHAERO CCC(CC)[NH2+]C[C@@H](C)N(Cc1ccsc1)C1CC1 ZINC000053496328 521596732 /nfs/dbraw/zinc/59/67/32/521596732.db2.gz IVLCGCMWJURDGE-CYBMUJFWSA-N 1 0 280.481 3.879 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1C(C)(C)[NH2+]CC ZINC000061149818 521636744 /nfs/dbraw/zinc/63/67/44/521636744.db2.gz AYMFVGGCGGZWJA-UHFFFAOYSA-N 1 0 279.815 3.944 10 0 CHAERO CCC[N@H+](CCOc1ccc(Br)cc1)C1CC1 ZINC000049595485 521669335 /nfs/dbraw/zinc/66/93/35/521669335.db2.gz VFIBVQVYPLWEQT-UHFFFAOYSA-N 1 0 298.224 3.702 10 0 CHAERO CCC1(CC)CC[NH+](CC[C@H](O)C(C)(C)C)CC1 ZINC000062957427 521687837 /nfs/dbraw/zinc/68/78/37/521687837.db2.gz MEEYAVBDPCNACD-AWEZNQCLSA-N 1 0 255.446 3.686 10 0 CHAERO CC[C@H](C)OCc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052668805 521755046 /nfs/dbraw/zinc/75/50/46/521755046.db2.gz UPFBKQXUIMWJDT-NSHDSACASA-N 1 0 253.386 3.791 10 0 CHAERO C[NH+](C)CCSCc1ncc(-c2ccccc2Cl)o1 ZINC000157728710 521805721 /nfs/dbraw/zinc/80/57/21/521805721.db2.gz QOTHPTSBYNTISO-UHFFFAOYSA-N 1 0 296.823 3.790 10 0 CHAERO C[NH2+]CC1(O[C@H]2CCC[C@H](C)C2)CCCCCC1 ZINC000050497849 521972302 /nfs/dbraw/zinc/97/23/02/521972302.db2.gz MAUHWFSIUGYDNH-GJZGRUSLSA-N 1 0 253.430 3.894 10 0 CHAERO CC[C@@H](C)N(CC)c1ncccc1C[NH2+]C(C)(C)C ZINC000051441127 522086745 /nfs/dbraw/zinc/08/67/45/522086745.db2.gz QLDARURNPQMCCL-CYBMUJFWSA-N 1 0 263.429 3.595 10 0 CHAERO C[NH2+]Cc1ccc(COc2ccc(Cl)cc2C)cc1 ZINC000052690387 522118550 /nfs/dbraw/zinc/11/85/50/522118550.db2.gz GVFHIFOETOIMKA-UHFFFAOYSA-N 1 0 275.779 3.947 10 0 CHAERO C[NH2+]Cc1ccoc1CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629231 522142140 /nfs/dbraw/zinc/14/21/40/522142140.db2.gz RGJNICXRDMZEFZ-OCCSQVGLSA-N 1 0 265.397 3.730 10 0 CHAERO CC[C@H](C[NH2+]C(C)C)N1CCCc2cc(C)ccc21 ZINC000052423003 522191527 /nfs/dbraw/zinc/19/15/27/522191527.db2.gz HAKBVTKTYFUNME-MRXNPFEDSA-N 1 0 260.425 3.524 10 0 CHAERO CC[C@H](C[NH2+]CC(C)C)N(Cc1cccs1)C(C)C ZINC000052544942 522194065 /nfs/dbraw/zinc/19/40/65/522194065.db2.gz IATKFLMAULEISF-OAHLLOKOSA-N 1 0 282.497 3.983 10 0 CHAERO CC[C@H](C[NH2+]CC(C)C)N(Cc1ccsc1)C1CC1 ZINC000052541971 522195028 /nfs/dbraw/zinc/19/50/28/522195028.db2.gz RSYVAWQLGCEDAJ-OAHLLOKOSA-N 1 0 280.481 3.737 10 0 CHAERO C[NH2+][C@@H](C)c1cc(F)ccc1OCc1cccs1 ZINC000049585748 522330309 /nfs/dbraw/zinc/33/03/09/522330309.db2.gz PETCCMFHGAOCGX-JTQLQIEISA-N 1 0 265.353 3.747 10 0 CHAERO CC[C@H]([NH3+])[C@H](Oc1cccc(F)c1F)c1ccsc1 ZINC000062612055 522341222 /nfs/dbraw/zinc/34/12/22/522341222.db2.gz ZCYDTFKEYBXYQE-SMDDNHRTSA-N 1 0 283.343 3.884 10 0 CHAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cc(C)n1)c1ccsc1 ZINC000051606796 522344320 /nfs/dbraw/zinc/34/43/20/522344320.db2.gz IHYIYBNUMHKZBK-QWHCGFSZSA-N 1 0 293.461 3.726 10 0 CHAERO CC[C@H](N)[C@H](c1ccsc1)[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563356 522346079 /nfs/dbraw/zinc/34/60/79/522346079.db2.gz SDSVWXBBQHRUQU-JURCDPSOSA-N 1 0 266.454 3.647 10 0 CHAERO CC[C@H]([NH3+])c1c(C)nn(Cc2cccc(Cl)c2)c1C ZINC000054716643 522346908 /nfs/dbraw/zinc/34/69/08/522346908.db2.gz KLYWMWHMNRXLMG-AWEZNQCLSA-N 1 0 277.799 3.611 10 0 CHAERO CCc1nc(N(C)CCC(C)C)sc1C[NH2+]C(C)C ZINC000055002018 522378894 /nfs/dbraw/zinc/37/88/94/522378894.db2.gz STXQONKCBMTVNS-UHFFFAOYSA-N 1 0 283.485 3.686 10 0 CHAERO CCc1nc(N2CCCC[C@@H]2C)sc1C[NH2+]CC(C)C ZINC000054995324 522383743 /nfs/dbraw/zinc/38/37/43/522383743.db2.gz KHPIRFRTBNEMKB-ZDUSSCGKSA-N 1 0 295.496 3.830 10 0 CHAERO CC[C@@H](C)c1ccccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628252 522432847 /nfs/dbraw/zinc/43/28/47/522432847.db2.gz YWBJHPMHEPLIIN-FFHGMXDLSA-N 1 0 258.409 3.659 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2cccc3cccnc32)o1 ZINC000052924130 522447703 /nfs/dbraw/zinc/44/77/03/522447703.db2.gz CWDDCEPHKUNXFQ-LLVKDONJSA-N 1 0 252.317 3.775 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2cc(C)ccc2OC)c1 ZINC000055260950 522451260 /nfs/dbraw/zinc/45/12/60/522451260.db2.gz HQBPRYBTJSMVRH-CYBMUJFWSA-N 1 0 255.361 3.951 10 0 CHAERO C[NH2+][C@H](C)c1sc(N(C)C2CCCCC2)nc1C ZINC000054899395 522456515 /nfs/dbraw/zinc/45/65/15/522456515.db2.gz KHSIRTBXLDGLJH-SNVBAGLBSA-N 1 0 267.442 3.501 10 0 CHAERO C[NH2+][C@H](CCCc1ccccc1)Cc1csc(C)n1 ZINC000055295262 522458846 /nfs/dbraw/zinc/45/88/46/522458846.db2.gz GECFKBBBUJDNGJ-OAHLLOKOSA-N 1 0 274.433 3.605 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)cc1F)c1ccccc1OC ZINC000062786149 522480370 /nfs/dbraw/zinc/48/03/70/522480370.db2.gz KKUITIUVDIOIOO-OAHLLOKOSA-N 1 0 279.742 3.797 10 0 CHAERO CC[C@@H](C[NH2+]C(C)(C)C)N(CC)c1ccc(F)cc1 ZINC000052512120 522542953 /nfs/dbraw/zinc/54/29/53/522542953.db2.gz QDILVTPPKQOSMH-AWEZNQCLSA-N 1 0 266.404 3.819 10 0 CHAERO CC[C@@H](C[NH2+]C(C)C)N(C)Cc1ccc(Cl)s1 ZINC000052508893 522543471 /nfs/dbraw/zinc/54/34/71/522543471.db2.gz GKVSBOLBJHPZGQ-NSHDSACASA-N 1 0 274.861 3.610 10 0 CHAERO CCc1ncc(C[NH2+][C@H](C)Cc2ccc(F)cc2)s1 ZINC000062050485 522556115 /nfs/dbraw/zinc/55/61/15/522556115.db2.gz FDNBCKWQWDVMAZ-LLVKDONJSA-N 1 0 278.396 3.565 10 0 CHAERO COCc1c2ccccc2sc1C[NH2+]C(C)(C)C ZINC000052602175 522904625 /nfs/dbraw/zinc/90/46/25/522904625.db2.gz GTJPROPPPVLATO-UHFFFAOYSA-N 1 0 263.406 3.936 10 0 CHAERO CC[C@H]1CCCC[C@@H]1OC1(C[NH3+])CCC(C)CC1 ZINC000050491661 523047591 /nfs/dbraw/zinc/04/75/91/523047591.db2.gz YLKYWNGKDHXIMK-PYBGIAKNSA-N 1 0 253.430 3.879 10 0 CHAERO CCc1sc(C[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000053252605 523075881 /nfs/dbraw/zinc/07/58/81/523075881.db2.gz HDULFOUILSFZOZ-CYBMUJFWSA-N 1 0 272.417 3.667 10 0 CHAERO COc1ccc(Br)cc1C[C@@H]([NH3+])C1CCCC1 ZINC000049599793 523502831 /nfs/dbraw/zinc/50/28/31/523502831.db2.gz PJDLWDPLSGXXQB-CYBMUJFWSA-N 1 0 298.224 3.518 10 0 CHAERO CC[C@@H]1CSC(N[C@H](C)c2ccc(Cl)cc2)=[NH+]1 ZINC000049526544 523520172 /nfs/dbraw/zinc/52/01/72/523520172.db2.gz CNIFKKBLLZRVFE-BXKDBHETSA-N 1 0 268.813 3.872 10 0 CHAERO CN(c1ncc(C[NH2+]C(C)(C)C)s1)c1ccccc1 ZINC000054900398 523665856 /nfs/dbraw/zinc/66/58/56/523665856.db2.gz HINRUWIYPBEALM-UHFFFAOYSA-N 1 0 275.421 3.799 10 0 CHAERO C[N@@H+]1CCCC[C@@H]1CCNc1ccc(Cl)c(F)c1 ZINC000052205908 523794449 /nfs/dbraw/zinc/79/44/49/523794449.db2.gz FEBICOLWZWFWPO-GFCCVEGCSA-N 1 0 270.779 3.765 10 0 CHAERO COc1ccc(C)cc1[C@@H]([NH3+])c1cc(C)sc1C ZINC000052943490 523855135 /nfs/dbraw/zinc/85/51/35/523855135.db2.gz BYDNCRYPDOTJIC-HNNXBMFYSA-N 1 0 261.390 3.730 10 0 CHAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]CCC1=CCCCC1 ZINC000048330794 523855246 /nfs/dbraw/zinc/85/52/46/523855246.db2.gz RVOODTWJVWSAIR-KRWDZBQOSA-N 1 0 289.419 3.517 10 0 CHAERO COc1ccc(C)cc1[C@H]([NH3+])c1cc(C)sc1C ZINC000052943489 523860563 /nfs/dbraw/zinc/86/05/63/523860563.db2.gz BYDNCRYPDOTJIC-OAHLLOKOSA-N 1 0 261.390 3.730 10 0 CHAERO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000282214439 524071949 /nfs/dbraw/zinc/07/19/49/524071949.db2.gz MGPFWSCRMKJZFJ-DABQJJPHSA-N 1 0 297.826 3.642 10 0 CHAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCSCc1ccco1 ZINC000048436243 524143584 /nfs/dbraw/zinc/14/35/84/524143584.db2.gz RUYIPUFOXRHWIX-OCCSQVGLSA-N 1 0 253.411 3.681 10 0 CHAERO C[C@H](CC[NH+](C)C)Nc1nc2cccc(Cl)c2s1 ZINC000049559137 524170534 /nfs/dbraw/zinc/17/05/34/524170534.db2.gz HQJUYBROHHENHV-SECBINFHSA-N 1 0 283.828 3.702 10 0 CHAERO Cc1ccc(C)c(Oc2cccc(F)c2C(N)=[NH2+])c1C ZINC000062714834 524184116 /nfs/dbraw/zinc/18/41/16/524184116.db2.gz CYWCQCXXMXLHHJ-UHFFFAOYSA-N 1 0 272.323 3.827 10 0 CHAERO COc1ccc(Cl)c2[nH+]c(C(C)C)cc(N)c12 ZINC000050870969 524189107 /nfs/dbraw/zinc/18/91/07/524189107.db2.gz QASAKQFDAWFEGH-UHFFFAOYSA-N 1 0 250.729 3.602 10 0 CHAERO Cc1cc(C(C)(C)C)ccc1OC1CCC([NH3+])CC1 ZINC000055144128 524200964 /nfs/dbraw/zinc/20/09/64/524200964.db2.gz KUQMZMUZMHQHFD-UHFFFAOYSA-N 1 0 261.409 3.941 10 0 CHAERO Cc1cc(C(C)(C)C)ccc1O[C@@H](C)C[NH2+]C1CC1 ZINC000052698791 524201825 /nfs/dbraw/zinc/20/18/25/524201825.db2.gz YXNDIWVLARZBDK-ZDUSSCGKSA-N 1 0 261.409 3.812 10 0 CHAERO COc1ccc(Cl)cc1C[C@@H](C)C[NH2+]C(C)C ZINC000052966178 524213982 /nfs/dbraw/zinc/21/39/82/524213982.db2.gz LXZIBYLJGAQOSK-LLVKDONJSA-N 1 0 255.789 3.525 10 0 CHAERO COc1ccc(Cl)cc1[C@H]([NH3+])c1ccc(F)c(C)c1 ZINC000055225082 524255051 /nfs/dbraw/zinc/25/50/51/524255051.db2.gz JYDCZNADAZUYSR-OAHLLOKOSA-N 1 0 279.742 3.844 10 0 CHAERO C[C@H](CCc1ccco1)[NH2+][C@@H](C)Cc1ccccc1 ZINC000062169743 524260499 /nfs/dbraw/zinc/26/04/99/524260499.db2.gz GTHYXPNEHIDWRS-CABCVRRESA-N 1 0 257.377 3.822 10 0 CHAERO Cc1cccc(C[N@@H+]2CCCN[C@@H](c3ccccc3)C2)c1 ZINC000062671252 524392540 /nfs/dbraw/zinc/39/25/40/524392540.db2.gz CLVWYSSNWQTBKU-LJQANCHMSA-N 1 0 280.415 3.532 10 0 CHAERO C[C@@H](CC[NH2+]C(C)(C)C)N(Cc1ccsc1)C1CC1 ZINC000052542178 524496371 /nfs/dbraw/zinc/49/63/71/524496371.db2.gz DHHMEPRHWKXOBA-ZDUSSCGKSA-N 1 0 280.481 3.879 10 0 CHAERO C[C@H]1CN(Cc2c(Cl)cccc2Cl)C(C)(C)C[NH2+]1 ZINC000062673240 524609386 /nfs/dbraw/zinc/60/93/86/524609386.db2.gz MWXAOEZAGISYPK-JTQLQIEISA-N 1 0 287.234 3.566 10 0 CHAERO Cc1ccc(COc2cccc([C@H](C)[NH3+])c2)cc1C ZINC000049668541 524631804 /nfs/dbraw/zinc/63/18/04/524631804.db2.gz QGBRYMKLDUSUFF-AWEZNQCLSA-N 1 0 255.361 3.902 10 0 CHAERO C[C@@H](C[NH2+]C1CC1)Cc1ccc(Cl)cc1Cl ZINC000052966464 524735783 /nfs/dbraw/zinc/73/57/83/524735783.db2.gz ZANDPSYUKURASO-SECBINFHSA-N 1 0 258.192 3.924 10 0 CHAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000063191434 524841227 /nfs/dbraw/zinc/84/12/27/524841227.db2.gz FLUAKXZLWQFZTB-GWCFXTLKSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@H]([NH3+])c1c(F)cccc1Oc1cccc(F)c1F ZINC000062615642 524861159 /nfs/dbraw/zinc/86/11/59/524861159.db2.gz LKMNWMIUGBXTKC-QMMMGPOBSA-N 1 0 267.250 3.916 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@H](C)C3CCCC3)CC2)nc1 ZINC000163530483 524941817 /nfs/dbraw/zinc/94/18/17/524941817.db2.gz TZXLNJCRIAGDRX-OAHLLOKOSA-N 1 0 287.451 3.527 10 0 CHAERO C[C@@H]([NH3+])c1nc(-c2sccc2Br)cs1 ZINC000306864184 525033247 /nfs/dbraw/zinc/03/32/47/525033247.db2.gz KVZKWFBJWCEWJZ-RXMQYKEDSA-N 1 0 289.223 3.654 10 0 CHAERO Cc1ccccc1N(C)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860204 525215537 /nfs/dbraw/zinc/21/55/37/525215537.db2.gz CILWJDKJHXLKLA-UHFFFAOYSA-N 1 0 273.767 3.700 10 0 CHAERO Cc1ccccc1N(C)CCCCC[NH2+]C(C)(C)C ZINC000052542955 525215996 /nfs/dbraw/zinc/21/59/96/525215996.db2.gz NYOQPNCWLRLGOV-UHFFFAOYSA-N 1 0 262.441 3.990 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2sccc2Cl)C[C@H](C)O1 ZINC000282315660 525241577 /nfs/dbraw/zinc/24/15/77/525241577.db2.gz SQONKQOWKDJFOM-JGPRNRPPSA-N 1 0 273.829 3.695 10 0 CHAERO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccncc1 ZINC000156720954 525534526 /nfs/dbraw/zinc/53/45/26/525534526.db2.gz SHHPBHCSTPTKMG-GJZGRUSLSA-N 1 0 292.386 3.679 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)[C@H]1CCCO1 ZINC000087816157 525563022 /nfs/dbraw/zinc/56/30/22/525563022.db2.gz MZFXZUVVDZXBFR-JCURWCKSSA-N 1 0 284.403 3.702 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1sccc1Br ZINC000052274786 525588718 /nfs/dbraw/zinc/58/87/18/525588718.db2.gz YPCDVGAOFDQDKW-BKPPORCPSA-N 1 0 260.200 3.570 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1ccc(Cl)s1 ZINC000157539260 525595368 /nfs/dbraw/zinc/59/53/68/525595368.db2.gz IWAWZSRNIWWRDV-WDEREUQCSA-N 1 0 283.828 3.727 10 0 CHAERO Cc1cc2c(n1[C@@H](C)c1ccsc1)CCC[C@H]2[NH3+] ZINC000061367119 525622378 /nfs/dbraw/zinc/62/23/78/525622378.db2.gz CIQAUOOULMSJQS-SMDDNHRTSA-N 1 0 260.406 3.803 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccsc1 ZINC000050342294 525648415 /nfs/dbraw/zinc/64/84/15/525648415.db2.gz KZHQPDUUOLHGFX-BXUZGUMPSA-N 1 0 259.374 3.923 10 0 CHAERO Cc1cc2ncn([C@@H](C)CC[NH2+]C(C)C)c2cc1C ZINC000052575722 525685184 /nfs/dbraw/zinc/68/51/84/525685184.db2.gz WFQVQUBLHFTNDJ-AWEZNQCLSA-N 1 0 259.397 3.602 10 0 CHAERO Cc1ccc(-c2ccc(OCCCC[NH3+])cc2)cc1 ZINC000053587783 525754479 /nfs/dbraw/zinc/75/44/79/525754479.db2.gz CVHKXGOSKUQJEK-UHFFFAOYSA-N 1 0 255.361 3.780 10 0 CHAERO Cc1ccc([C@H](C[NH3+])Nc2ccccc2Cl)cc1 ZINC000057547736 525952601 /nfs/dbraw/zinc/95/26/01/525952601.db2.gz MHDITLOUFJXUTK-HNNXBMFYSA-N 1 0 260.768 3.760 10 0 CHAERO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253095632 526099682 /nfs/dbraw/zinc/09/96/82/526099682.db2.gz PGONZEKDXNSHNS-DDBAPUKQSA-N 1 0 273.420 3.763 10 0 CHAERO C[C@@H](c1ccsc1)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063127247 526157148 /nfs/dbraw/zinc/15/71/48/526157148.db2.gz MQOVRLZTNWMZRX-STQMWFEESA-N 1 0 272.417 3.762 10 0 CHAERO COc1cccc(S[C@@H](CC[NH3+])c2ccccc2)c1 ZINC000055019457 526245939 /nfs/dbraw/zinc/24/59/39/526245939.db2.gz OYVJRMUHUVUQOD-INIZCTEOSA-N 1 0 273.401 3.877 10 0 CHAERO Cc1nn([C@H](C)CCC[NH2+]C(C)(C)C)c(C)c1C ZINC000052591548 526306524 /nfs/dbraw/zinc/30/65/24/526306524.db2.gz RSNGDFSIIXOWRR-LLVKDONJSA-N 1 0 251.418 3.538 10 0 CHAERO Fc1ccc2ccn(CC[NH2+]CC3CCCC3)c2c1 ZINC000053528050 526377113 /nfs/dbraw/zinc/37/71/13/526377113.db2.gz VIOURXRIHYTMLD-UHFFFAOYSA-N 1 0 260.356 3.560 10 0 CHAERO Cc1oc(COc2ccc(Cl)c(Cl)c2)cc1C[NH3+] ZINC000052702486 526777112 /nfs/dbraw/zinc/77/71/12/526777112.db2.gz YVAOTLIQZOAJQW-UHFFFAOYSA-N 1 0 286.158 3.933 10 0 CHAERO NC(=[NH2+])c1cc(Cl)ccc1Sc1ccccc1 ZINC000052860404 526820848 /nfs/dbraw/zinc/82/08/48/526820848.db2.gz DXTMCLUOIVRCBS-UHFFFAOYSA-N 1 0 262.765 3.775 10 0 CHAERO Cc1sc([C@H]2CCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC000053251265 526886114 /nfs/dbraw/zinc/88/61/14/526886114.db2.gz SMDXLGFHCIDMIA-GFCCVEGCSA-N 1 0 262.353 3.682 10 0 CHAERO Cc1nc(N2CCCc3ccccc32)sc1[C@H](C)[NH3+] ZINC000054863963 526967359 /nfs/dbraw/zinc/96/73/59/526967359.db2.gz ZNBXHKBDNGXRDI-JTQLQIEISA-N 1 0 273.405 3.556 10 0 CHAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000052842146 527123536 /nfs/dbraw/zinc/12/35/36/527123536.db2.gz RDNLGBPYSJPSOK-ZIBATOQPSA-N 1 0 257.381 3.924 10 0 CHAERO [NH3+]CCc1csc(C(c2ccccc2)c2ccccc2)n1 ZINC000061798258 527199126 /nfs/dbraw/zinc/19/91/26/527199126.db2.gz GDJDANJUWWJEFE-UHFFFAOYSA-N 1 0 294.423 3.825 10 0 CHAERO [NH3+]C[C@H](C1CCCC1)N1CCC2(CCCCC2)CC1 ZINC000061818810 527225359 /nfs/dbraw/zinc/22/53/59/527225359.db2.gz LIISIHYCGVTYPV-MRXNPFEDSA-N 1 0 264.457 3.550 10 0 CHAERO [NH3+]Cc1cc(Cl)ccc1SCc1ccco1 ZINC000052858590 527248853 /nfs/dbraw/zinc/24/88/53/527248853.db2.gz OAWLRMQGAQGHDY-UHFFFAOYSA-N 1 0 253.754 3.684 10 0 CHAERO [NH3+]Cc1ccc(Oc2cccc(F)c2F)cc1Cl ZINC000062611045 527257594 /nfs/dbraw/zinc/25/75/94/527257594.db2.gz WVLSAICBIIAIHM-UHFFFAOYSA-N 1 0 269.678 3.869 10 0 CHAERO [NH3+][C@@H](c1ccc(F)c(F)c1)C1(c2ccccc2)CC1 ZINC000061617743 527338427 /nfs/dbraw/zinc/33/84/27/527338427.db2.gz JBPNMBHVJWLRAH-HNNXBMFYSA-N 1 0 259.299 3.696 10 0 CHAERO [NH3+][C@H](CCCc1ccccc1)c1ccc(F)c(F)c1 ZINC000053817393 527385339 /nfs/dbraw/zinc/38/53/39/527385339.db2.gz GUMVIIFCHJYZNC-MRXNPFEDSA-N 1 0 261.315 3.988 10 0 CHAERO [NH3+][C@H](c1cnc2ccccc2c1)c1ccccc1Cl ZINC000050438799 527392309 /nfs/dbraw/zinc/39/23/09/527392309.db2.gz HUNGRUQNYDIQPD-MRXNPFEDSA-N 1 0 268.747 3.936 10 0 CHAERO CC(C)c1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@H]2C)cc1 ZINC000083441494 535372423 /nfs/dbraw/zinc/37/24/23/535372423.db2.gz PHABLKOFDPOREF-PBHICJAKSA-N 1 0 260.425 3.633 10 0 CHAERO CC[N@H+](CC(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685953609 567209099 /nfs/dbraw/zinc/20/90/99/567209099.db2.gz XDILKQHOGFIJLJ-OAHLLOKOSA-N 1 0 298.471 3.754 10 0 CHAERO Cc1nc(C[NH3+])sc1-c1cscc1C(F)F ZINC000669379604 566951294 /nfs/dbraw/zinc/95/12/94/566951294.db2.gz GPUDUMOEBNWWRA-UHFFFAOYSA-N 1 0 260.334 3.576 10 0 CHAERO Brc1cccc([C@@H]2[NH2+]CCc3ccsc32)c1 ZINC000084704878 567033603 /nfs/dbraw/zinc/03/36/03/567033603.db2.gz AYHHPTODVGIXEN-LBPRGKRZSA-N 1 0 294.217 3.746 10 0 CHAERO CC[NH+](CC)[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952515 567209772 /nfs/dbraw/zinc/20/97/72/567209772.db2.gz NHPZPDPUHZPSED-MRXNPFEDSA-N 1 0 284.444 3.508 10 0 CHAERO CC1CC[NH+]([C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000685961596 567210632 /nfs/dbraw/zinc/21/06/32/567210632.db2.gz UEJRHTHRORZWNN-QGZVFWFLSA-N 1 0 296.455 3.508 10 0 CHAERO CCOc1c(C[NH2+]C2CCCC2)cc(Cl)cc1OC ZINC000010474040 567861849 /nfs/dbraw/zinc/86/18/49/567861849.db2.gz CVYYWPCBNVHYDR-UHFFFAOYSA-N 1 0 283.799 3.780 10 0 CHAERO C[C@H]1[C@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000013468193 567866502 /nfs/dbraw/zinc/86/65/02/567866502.db2.gz FAHFBUDMUKEFDS-FZDIXFNVSA-N 1 0 281.399 3.802 10 0 CHAERO C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000019777247 567879357 /nfs/dbraw/zinc/87/93/57/567879357.db2.gz FEIRFVWEXZFUJB-UHFFFAOYSA-N 1 0 261.752 3.638 10 0 CHAERO CCN1CCC[C@@H]1C[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000057353478 567894981 /nfs/dbraw/zinc/89/49/81/567894981.db2.gz UACOWAKHXXFRTL-QGZVFWFLSA-N 1 0 299.462 3.796 10 0 CHAERO CCCn1cc(C[NH2+]Cc2ccncc2)c2ccccc21 ZINC000057353296 567895116 /nfs/dbraw/zinc/89/51/16/567895116.db2.gz RVUWXLIARVLOPF-UHFFFAOYSA-N 1 0 279.387 3.736 10 0 CHAERO CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591275 567900976 /nfs/dbraw/zinc/90/09/76/567900976.db2.gz TYUNMNHXFHRCAL-AWEZNQCLSA-N 1 0 298.471 3.563 10 0 CHAERO CC[C@H](C)C[C@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591254 567901005 /nfs/dbraw/zinc/90/10/05/567901005.db2.gz XFMDWAFTFJDMOM-DZGCQCFKSA-N 1 0 298.471 3.563 10 0 CHAERO CC[C@H](C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000068590946 567901112 /nfs/dbraw/zinc/90/11/12/567901112.db2.gz PFYRCLBCOBRGKN-KKUMJFAQSA-N 1 0 298.471 3.706 10 0 CHAERO Cc1cccc(C2CC([NH2+]C[C@@H]3CCO[C@@H](C)C3)C2)c1 ZINC000364240095 1118046361 /nfs/dbraw/zinc/04/63/61/1118046361.db2.gz WGJVJYHIOQLGLB-WPAPPDIDSA-N 1 0 273.420 3.646 10 0 CHAERO COc1cccc(C[NH2+]C/C=C\c2ccccc2)c1F ZINC000588619461 1119627626 /nfs/dbraw/zinc/62/76/26/1119627626.db2.gz ZRVNYUQSLAUPJK-TWGQIWQCSA-N 1 0 271.335 3.637 10 0 CHAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc3ccccc3n2)CC1 ZINC000301794047 1123933232 /nfs/dbraw/zinc/93/32/32/1123933232.db2.gz SEPZNLXOJXAKMX-OAHLLOKOSA-N 1 0 295.430 3.688 10 0 CHAERO CC(C)=CC[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000192314653 1125332298 /nfs/dbraw/zinc/33/22/98/1125332298.db2.gz DGYQDCXXYVLNQP-MRXNPFEDSA-N 1 0 272.436 3.768 10 0 CHAERO CCCc1nc(Cc2ccccc2)sc1C[NH2+]CC ZINC000082426870 178002095 /nfs/dbraw/zinc/00/20/95/178002095.db2.gz GBCTWNLBKLEOHD-UHFFFAOYSA-N 1 0 274.433 3.796 10 0 CHAERO CCCc1nc(-c2ccccc2Cl)sc1C[NH3+] ZINC000082427055 178003051 /nfs/dbraw/zinc/00/30/51/178003051.db2.gz XBHUXAAUVJDHDP-UHFFFAOYSA-N 1 0 266.797 3.875 10 0 CHAERO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000309331309 260153775 /nfs/dbraw/zinc/15/37/75/260153775.db2.gz HXGBHGQYTBLJBN-NXEZZACHSA-N 1 0 261.818 3.866 10 0 CHAERO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000309331312 260153809 /nfs/dbraw/zinc/15/38/09/260153809.db2.gz HXGBHGQYTBLJBN-ZJUUUORDSA-N 1 0 261.818 3.866 10 0 CHAERO Cc1noc(C)c1C[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000095983377 185053842 /nfs/dbraw/zinc/05/38/42/185053842.db2.gz RZIDGAGVRNHTOD-JGGQBBKZSA-N 1 0 262.397 3.596 10 0 CHAERO COc1ccc(-c2cc([C@@H](C)[NH3+])ccc2F)cc1F ZINC000082707367 178216011 /nfs/dbraw/zinc/21/60/11/178216011.db2.gz ZKURYMMVZFXRDZ-SECBINFHSA-N 1 0 263.287 3.660 10 0 CHAERO O[C@H](c1ccc(Cl)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000083140634 178340751 /nfs/dbraw/zinc/34/07/51/178340751.db2.gz UAJKLBVHYUCTDY-BZNIZROVSA-N 1 0 275.779 3.526 10 0 CHAERO CC[NH2+][C@H](CC)C(=O)c1ccc(C(C)(C)C)cc1C ZINC000096891111 185124532 /nfs/dbraw/zinc/12/45/32/185124532.db2.gz JNBXFZDWCKXXLS-OAHLLOKOSA-N 1 0 261.409 3.863 10 0 CHAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CC)C1CCCCC1 ZINC000167881421 529750845 /nfs/dbraw/zinc/75/08/45/529750845.db2.gz YNGBEBLENMRZGC-HUUCEWRRSA-N 1 0 290.455 3.624 10 0 CHAERO CCOc1cc(C)c(CC[NH2+]C2CCCC2)cc1C ZINC000098130698 185692198 /nfs/dbraw/zinc/69/21/98/185692198.db2.gz LMOQGAQEPXSLNB-UHFFFAOYSA-N 1 0 261.409 3.777 10 0 CHAERO CCc1ccc(N(C)CC(CC)(CC)C[NH2+]C)cc1 ZINC000104003106 185880032 /nfs/dbraw/zinc/88/00/32/185880032.db2.gz MYMXXLFAFWVCCS-UHFFFAOYSA-N 1 0 262.441 3.711 10 0 CHAERO CCC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@@H](C)CC ZINC000104209928 185932207 /nfs/dbraw/zinc/93/22/07/185932207.db2.gz JCECGNWOOJLIHY-NHYWBVRUSA-N 1 0 255.352 3.922 10 0 CHAERO [NH3+][C@@H](c1ccc(Cl)s1)[C@@H]1CCOc2ccccc21 ZINC000104201353 185928754 /nfs/dbraw/zinc/92/87/54/185928754.db2.gz QMNCEJPWNCYPRH-QMTHXVAHSA-N 1 0 279.792 3.968 10 0 CHAERO Cc1cc(N(C)c2ccccc2)ccc1C[C@H](C)[NH3+] ZINC000104267237 185949061 /nfs/dbraw/zinc/94/90/61/185949061.db2.gz UFFCOPYVSYMGSC-AWEZNQCLSA-N 1 0 254.377 3.653 10 0 CHAERO CCCCN(c1cccc(Cl)c1C[C@@H](C)[NH3+])C1CC1 ZINC000104269203 185950030 /nfs/dbraw/zinc/95/00/30/185950030.db2.gz GJOZRKFMSGRGJG-GFCCVEGCSA-N 1 0 280.843 3.999 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(SC)cc1)c1ccco1 ZINC000104337919 185974163 /nfs/dbraw/zinc/97/41/63/185974163.db2.gz CTEGXIYOLWLVDM-UKRRQHHQSA-N 1 0 277.389 3.859 10 0 CHAERO CSc1ccc(O[C@H](C[NH2+]C(C)C)C(C)C)cc1 ZINC000104337982 185974826 /nfs/dbraw/zinc/97/48/26/185974826.db2.gz HGDVFIMZJUOROU-OAHLLOKOSA-N 1 0 267.438 3.810 10 0 CHAERO CC[C@H](C[NH2+]C(C)C)Oc1ccc(SC)cc1 ZINC000104341540 185975790 /nfs/dbraw/zinc/97/57/90/185975790.db2.gz OUNJKNHNJXYHOD-GFCCVEGCSA-N 1 0 253.411 3.564 10 0 CHAERO O[C@]1([C@@H]2CCCC[NH2+]2)C[C@H](c2ccccc2)c2ccccc21 ZINC000090697961 180027099 /nfs/dbraw/zinc/02/70/99/180027099.db2.gz BVCSKXTWXLPCHL-YZGWKJHDSA-N 1 0 293.410 3.552 10 0 CHAERO CCC[NH2+]C[C@@H](C)c1c(C)nc([C@H](C)CC)nc1C ZINC000111275454 186386695 /nfs/dbraw/zinc/38/66/95/186386695.db2.gz CFEAZAKQCVSLBM-VXGBXAGGSA-N 1 0 263.429 3.710 10 0 CHAERO FC1(Cc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000163266928 188603554 /nfs/dbraw/zinc/60/35/54/188603554.db2.gz KUQBUEFJWQBITF-UHFFFAOYSA-N 1 0 262.155 3.628 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](OCc2ccccc2)C1 ZINC000220175004 189721947 /nfs/dbraw/zinc/72/19/47/189721947.db2.gz FOGGNQPXSZOVTG-OAGGEKHMSA-N 1 0 261.409 3.745 10 0 CHAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000466423515 261405886 /nfs/dbraw/zinc/40/58/86/261405886.db2.gz AJXXSWQLZUJHMF-ZHCJQAHYSA-N 1 0 267.457 3.994 10 0 CHAERO CC[C@H](C)C[C@H](CNC(=O)OC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000238854762 256868939 /nfs/dbraw/zinc/86/89/39/256868939.db2.gz PFYRCLBCOBRGKN-RRFJBIMHSA-N 1 0 298.471 3.706 10 0 CHAERO Cc1cc(C)c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c(C)c1 ZINC000171410414 335065082 /nfs/dbraw/zinc/06/50/82/335065082.db2.gz JETSYSFWLZZQCC-GOSISDBHSA-N 1 0 283.419 3.682 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(C(C)(C)C)cc1 ZINC000083441516 135021455 /nfs/dbraw/zinc/02/14/55/135021455.db2.gz KLFKLYWNWOMNHG-UKRRQHHQSA-N 1 0 260.425 3.561 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cc(C)cc(C)c1 ZINC000083441672 135021457 /nfs/dbraw/zinc/02/14/57/135021457.db2.gz MDEZJVFQSVURJW-WBVHZDCISA-N 1 0 260.425 3.516 10 0 CHAERO CC(C)c1cccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)c1 ZINC000083441466 135021491 /nfs/dbraw/zinc/02/14/91/135021491.db2.gz GXBQHYIIAYAPKG-YOEHRIQHSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1cc(C)ccc1Cl ZINC000083493765 135024634 /nfs/dbraw/zinc/02/46/34/135024634.db2.gz ROVPUCGVPUBEGA-QWHCGFSZSA-N 1 0 266.816 3.615 10 0 CHAERO CCc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083542103 135028608 /nfs/dbraw/zinc/02/86/08/135028608.db2.gz QJZIOQSEQXSRGW-QZTJIDSGSA-N 1 0 274.452 3.708 10 0 CHAERO Cc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c(F)c1 ZINC000083587405 135030169 /nfs/dbraw/zinc/03/01/69/135030169.db2.gz OKCXKEMIFQSRMC-DOTOQJQBSA-N 1 0 278.415 3.593 10 0 CHAERO Cc1cc2c(cc1C)[C@H](O)[C@@H]([NH+]1CCCCC1)CCC2 ZINC000001729489 169751587 /nfs/dbraw/zinc/75/15/87/169751587.db2.gz YFBSOHIFEHJOSX-ROUUACIJSA-N 1 0 273.420 3.528 10 0 CHAERO CCC[NH+](CCC)[C@@H]1CCc2cccc(C(C)=O)c2C1 ZINC000003783981 169913068 /nfs/dbraw/zinc/91/30/68/169913068.db2.gz SDJCCUJEEKDIBV-MRXNPFEDSA-N 1 0 273.420 3.869 10 0 CHAERO CC[C@H](O)C(C[C@H](C)[NH2+]C)(c1ccccc1)c1ccccc1 ZINC000005921969 170155933 /nfs/dbraw/zinc/15/59/33/170155933.db2.gz KYHAUJGXNUJCTC-LPHOPBHVSA-N 1 0 297.442 3.742 10 0 CHAERO Fc1ccccc1C[NH2+]Cc1c[nH]c2ccccc12 ZINC000006567886 170214162 /nfs/dbraw/zinc/21/41/62/170214162.db2.gz YJTNGJDKAMSOKO-UHFFFAOYSA-N 1 0 254.308 3.597 10 0 CHAERO Fc1cccc(C[NH2+]Cc2c[nH]c3ccccc23)c1 ZINC000006583726 170215557 /nfs/dbraw/zinc/21/55/57/170215557.db2.gz HVWXEXVYMTZSQU-UHFFFAOYSA-N 1 0 254.308 3.597 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+](CC(=O)c2ccc(Cl)cc2)C1 ZINC000009997490 170393870 /nfs/dbraw/zinc/39/38/70/170393870.db2.gz JSIPRAGSJLDYGQ-RYUDHWBXSA-N 1 0 265.784 3.501 10 0 CHAERO CCc1ccc(C[C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011600648 170425484 /nfs/dbraw/zinc/42/54/84/170425484.db2.gz IVVHRCQBDVTNTR-KRWDZBQOSA-N 1 0 257.352 3.501 10 0 CHAERO COc1cccc(C[C@H]([NH3+])c2ccccc2Cl)c1 ZINC000011603419 170426092 /nfs/dbraw/zinc/42/60/92/170426092.db2.gz SPHYLYOJSOLDGO-HNNXBMFYSA-N 1 0 261.752 3.591 10 0 CHAERO [NH3+]CCc1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000011755530 170439079 /nfs/dbraw/zinc/43/90/79/170439079.db2.gz LIZFWHPZBCTSEN-UHFFFAOYSA-N 1 0 273.188 3.618 10 0 CHAERO Clc1ccc(-c2csc(C[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000011883984 170451928 /nfs/dbraw/zinc/45/19/28/170451928.db2.gz PSCKUUNSOWFIHC-LBPRGKRZSA-N 1 0 278.808 3.758 10 0 CHAERO Cc1cc(Oc2ccc(CC[NH3+])cc2)ccc1Cl ZINC000011994792 170465664 /nfs/dbraw/zinc/46/56/64/170465664.db2.gz RLAUYQCVXCZZNS-UHFFFAOYSA-N 1 0 261.752 3.942 10 0 CHAERO CCC[NH+](CCC)[C@H]1Cc2cccc3ccn(c32)C1 ZINC000013452250 170551020 /nfs/dbraw/zinc/55/10/20/170551020.db2.gz ZKAGDNWCFSWQTI-INIZCTEOSA-N 1 0 256.393 3.688 10 0 CHAERO CCOc1ccc(C[NH2+]CCC(C)C)cc1Cl ZINC000013718374 170581552 /nfs/dbraw/zinc/58/15/52/170581552.db2.gz SOVAQENZRPFFHG-UHFFFAOYSA-N 1 0 255.789 3.874 10 0 CHAERO COc1ccc([C@H]([NH3+])C(C)(C)c2ccccc2)cc1OC ZINC000019415655 170791625 /nfs/dbraw/zinc/79/16/25/170791625.db2.gz XHHZFYSVIDCIIK-KRWDZBQOSA-N 1 0 285.387 3.681 10 0 CHAERO [NH3+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000019421418 170792709 /nfs/dbraw/zinc/79/27/09/170792709.db2.gz PFLAKWUNIXXQHD-CYBMUJFWSA-N 1 0 253.679 3.666 10 0 CHAERO C[C@H]([NH3+])c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000019426434 170795176 /nfs/dbraw/zinc/79/51/76/170795176.db2.gz OIFVQYYKFGZBLP-NSHDSACASA-N 1 0 280.327 3.705 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000019476480 170807438 /nfs/dbraw/zinc/80/74/38/170807438.db2.gz GHUJOTVPUAVTHX-AWEZNQCLSA-N 1 0 292.176 3.506 10 0 CHAERO CC(C)c1ccccc1O[C@H](C[NH3+])c1ccccc1 ZINC000019670776 170835492 /nfs/dbraw/zinc/83/54/92/170835492.db2.gz OBADZUNCZYBIKZ-QGZVFWFLSA-N 1 0 255.361 3.889 10 0 CHAERO [NH3+]C[C@@H](Oc1cccc(F)c1)c1cccc(Cl)c1 ZINC000019671190 170835884 /nfs/dbraw/zinc/83/58/84/170835884.db2.gz VVFGILRRXPDBKR-CQSZACIVSA-N 1 0 265.715 3.558 10 0 CHAERO Cc1ccc(Cl)c(O[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000019671606 170836107 /nfs/dbraw/zinc/83/61/07/170836107.db2.gz WVANFXVCAKZJGY-OAHLLOKOSA-N 1 0 279.742 3.866 10 0 CHAERO CC[C@@H]1CCCC[C@H]1OCc1cc(C[NH3+])ccc1F ZINC000019803292 170872606 /nfs/dbraw/zinc/87/26/06/170872606.db2.gz JMXDVZXHFMATRO-CZUORRHYSA-N 1 0 265.372 3.770 10 0 CHAERO NC(=[NH2+])c1ccccc1COc1ccc(Cl)cc1Cl ZINC000019808678 170877842 /nfs/dbraw/zinc/87/78/42/170877842.db2.gz LNNCHWLGDRXOEK-UHFFFAOYSA-N 1 0 295.169 3.856 10 0 CHAERO C[C@H]([NH3+])c1ccc(OC2CCC(C)CC2)c(F)c1 ZINC000019873334 170902734 /nfs/dbraw/zinc/90/27/34/170902734.db2.gz CZBCIJKONHUGCH-AKJDGMEZSA-N 1 0 251.345 3.803 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCSC1)C12CC3CC(CC(C3)C1)C2 ZINC000019901192 170913717 /nfs/dbraw/zinc/91/37/17/170913717.db2.gz LENKONXXQVUUQA-OMBAJQCTSA-N 1 0 265.466 3.686 10 0 CHAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000019918915 170927354 /nfs/dbraw/zinc/92/73/54/170927354.db2.gz LMSYVHUONUHSLO-HSBZDZAISA-N 1 0 287.403 3.949 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])[C@H](C)CC)cc1OCC ZINC000019967826 170949723 /nfs/dbraw/zinc/94/97/23/170949723.db2.gz JLGMPUSYRCESLF-ABAIWWIYSA-N 1 0 251.370 3.530 10 0 CHAERO [NH3+][C@H](c1cc(F)ccc1F)c1cc(Cl)ccc1F ZINC000019969534 170952392 /nfs/dbraw/zinc/95/23/92/170952392.db2.gz QFNAJMOTYPOZGT-ZDUSSCGKSA-N 1 0 271.669 3.805 10 0 CHAERO COc1ccc(CC[C@H]([NH3+])c2ccc(OC)cc2C)cc1 ZINC000019972150 170956789 /nfs/dbraw/zinc/95/67/89/170956789.db2.gz ZFWALSBKUCDOIM-SFHVURJKSA-N 1 0 285.387 3.645 10 0 CHAERO C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000019988765 170961967 /nfs/dbraw/zinc/96/19/67/170961967.db2.gz ONXBGULWLLTSNA-NVXWUHKLSA-N 1 0 272.436 3.608 10 0 CHAERO CCN(C[C@H]([NH3+])c1cc(C)ccc1C)c1ccccc1 ZINC000019994144 170963558 /nfs/dbraw/zinc/96/35/58/170963558.db2.gz CBDOYRRHCWEWFY-SFHVURJKSA-N 1 0 268.404 3.830 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])CN(CC)c2ccccc2)cc1 ZINC000020001580 170966240 /nfs/dbraw/zinc/96/62/40/170966240.db2.gz YHOSCOPZIDVWTH-SFHVURJKSA-N 1 0 284.403 3.612 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c(OC)c1 ZINC000020121516 171001135 /nfs/dbraw/zinc/00/11/35/171001135.db2.gz WZJRHOFGMKSNPP-QWHCGFSZSA-N 1 0 286.375 3.511 10 0 CHAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)c(OC)c1 ZINC000020121518 171001259 /nfs/dbraw/zinc/00/12/59/171001259.db2.gz WZJRHOFGMKSNPP-CHWSQXEVSA-N 1 0 286.375 3.511 10 0 CHAERO C[C@H]([NH2+][C@H]1COc2cc(O)ccc21)c1ccc(Cl)cc1 ZINC000020121994 171001877 /nfs/dbraw/zinc/00/18/77/171001877.db2.gz BTVGMKIROVEFHX-BONVTDFDSA-N 1 0 289.762 3.830 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(O)cc1 ZINC000020123435 171004509 /nfs/dbraw/zinc/00/45/09/171004509.db2.gz BEZDBNUNZLGENL-IUODEOHRSA-N 1 0 256.349 3.589 10 0 CHAERO Clc1cccc(C[NH2+]CCCOCc2ccco2)c1 ZINC000020147086 171033994 /nfs/dbraw/zinc/03/39/94/171033994.db2.gz GPAVKHXTXSZJQQ-UHFFFAOYSA-N 1 0 279.767 3.630 10 0 CHAERO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)ccc1O ZINC000020147946 171035470 /nfs/dbraw/zinc/03/54/70/171035470.db2.gz AIJMOAUIEBYTCH-VXGBXAGGSA-N 1 0 289.350 3.952 10 0 CHAERO CC[C@H]1CCCC[N@@H+]1Cc1cc(N)ccc1Cl ZINC000020192564 171059149 /nfs/dbraw/zinc/05/91/49/171059149.db2.gz SIHUILSRMNWZMU-ZDUSSCGKSA-N 1 0 252.789 3.687 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)[C@@H]1CCCO1 ZINC000020206224 171071709 /nfs/dbraw/zinc/07/17/09/171071709.db2.gz NQXIHVJUYLMNAS-COXVUDFISA-N 1 0 259.393 3.611 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000020208224 171072416 /nfs/dbraw/zinc/07/24/16/171072416.db2.gz QKNWBKHCVZPZOO-BFVZDQMLSA-N 1 0 271.763 3.697 10 0 CHAERO Clc1cc2c3c([nH]c2c(Cl)c1)C[NH2+]CCC3 ZINC000020217046 171079119 /nfs/dbraw/zinc/07/91/19/171079119.db2.gz NGTASQNLNGWSNO-UHFFFAOYSA-N 1 0 255.148 3.511 10 0 CHAERO CN(Cc1ccccc1Cl)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225660 171089055 /nfs/dbraw/zinc/08/90/55/171089055.db2.gz XMBDLUQADURPJO-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020226702 171091662 /nfs/dbraw/zinc/09/16/62/171091662.db2.gz JCCHYDVBZMAXSG-ZDUSSCGKSA-N 1 0 289.250 3.971 10 0 CHAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020226734 171091851 /nfs/dbraw/zinc/09/18/51/171091851.db2.gz QFCJYAJXHNTWKO-LBPRGKRZSA-N 1 0 289.250 3.971 10 0 CHAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020226718 171091940 /nfs/dbraw/zinc/09/19/40/171091940.db2.gz RDSSMXKOSBZZQC-LBPRGKRZSA-N 1 0 289.250 3.971 10 0 CHAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000020252068 171104147 /nfs/dbraw/zinc/10/41/47/171104147.db2.gz RRWKPWNSDLYYEA-SKDRFNHKSA-N 1 0 256.187 3.885 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1N(C)Cc1cccc(F)c1 ZINC000020266772 171123712 /nfs/dbraw/zinc/12/37/12/171123712.db2.gz DHEBIWFBDRYUFU-LLVKDONJSA-N 1 0 276.330 3.621 10 0 CHAERO C[C@H]([NH3+])c1ccc(-c2cccc(Br)c2)o1 ZINC000020267854 171124109 /nfs/dbraw/zinc/12/41/09/171124109.db2.gz QDBLSGGAHSITHJ-QMMMGPOBSA-N 1 0 266.138 3.729 10 0 CHAERO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(C)c1O ZINC000020305205 171141863 /nfs/dbraw/zinc/14/18/63/171141863.db2.gz RDXJICJUXAJKNW-UHFFFAOYSA-N 1 0 289.806 3.995 10 0 CHAERO [NH3+]C1(CCOc2ccc(Br)cc2)CCCCC1 ZINC000020398977 171181984 /nfs/dbraw/zinc/18/19/84/171181984.db2.gz PDUXBNVRZOJSSF-UHFFFAOYSA-N 1 0 298.224 3.880 10 0 CHAERO [NH3+]Cc1ccccc1Oc1ccc(Br)cc1 ZINC000020470233 171212204 /nfs/dbraw/zinc/21/22/04/171212204.db2.gz KHRCEVPCUKKFIO-UHFFFAOYSA-N 1 0 278.149 3.700 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000020470243 171212308 /nfs/dbraw/zinc/21/23/08/171212308.db2.gz MOKULOQFVWASDD-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)c1ccc(F)cc1 ZINC000020484804 171224203 /nfs/dbraw/zinc/22/42/03/171224203.db2.gz YGBNWBSVURBWAB-MRXNPFEDSA-N 1 0 266.404 3.728 10 0 CHAERO CCCC[NH+](CCCC)[C@@H]1C[C@H](CC)CC[C@@H]1N ZINC000020485385 171225075 /nfs/dbraw/zinc/22/50/75/171225075.db2.gz AINZSIPMCSOFDD-OWCLPIDISA-N 1 0 254.462 3.795 10 0 CHAERO COc1ccc([C@@H]([NH3+])[C@H](C)OCCCC(C)C)cc1 ZINC000020511608 171231269 /nfs/dbraw/zinc/23/12/69/171231269.db2.gz HGKNCEFRUXPELZ-BBRMVZONSA-N 1 0 265.397 3.536 10 0 CHAERO NC(=[NH2+])CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000020518858 171233267 /nfs/dbraw/zinc/23/32/67/171233267.db2.gz ZGNQXFVGQUQSBU-UHFFFAOYSA-N 1 0 281.570 3.742 10 0 CHAERO CCCCCCOc1ccc(Br)cc1C[NH3+] ZINC000020519713 171233641 /nfs/dbraw/zinc/23/36/41/171233641.db2.gz YDBYEOZIJBLTMC-UHFFFAOYSA-N 1 0 286.213 3.867 10 0 CHAERO CCCCCC[C@H](CN)[N@H+](CC)C1CCCCC1 ZINC000020520586 171234151 /nfs/dbraw/zinc/23/41/51/171234151.db2.gz CZSZOKHLMUHLBI-MRXNPFEDSA-N 1 0 254.462 3.939 10 0 CHAERO COc1ccc([C@@H]([NH3+])CCC(C)C)cc1Br ZINC000020522004 171235699 /nfs/dbraw/zinc/23/56/99/171235699.db2.gz NCJLHPKJVAFDBM-LBPRGKRZSA-N 1 0 286.213 3.894 10 0 CHAERO C=COCCC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000020525770 171238511 /nfs/dbraw/zinc/23/85/11/171238511.db2.gz BPEKFKLSUSOOKQ-MRXNPFEDSA-N 1 0 259.393 3.939 10 0 CHAERO CC(C)[N@H+](C)[C@H](c1ccccc1)[C@@H](N)Cc1ccccc1 ZINC000020549459 171246269 /nfs/dbraw/zinc/24/62/69/171246269.db2.gz MLGFRAHQHRQJEL-RBUKOAKNSA-N 1 0 282.431 3.638 10 0 CHAERO Cc1ccc(C)c([C@@H]([NH3+])COc2cccc(C)c2C)c1 ZINC000020551936 171247618 /nfs/dbraw/zinc/24/76/18/171247618.db2.gz SOGZXDDCXYDZMU-KRWDZBQOSA-N 1 0 269.388 3.999 10 0 CHAERO CC[N@H+](C[C@H](N)c1cc(C)ccc1C)C1CCCCC1 ZINC000020554767 171249548 /nfs/dbraw/zinc/24/95/48/171249548.db2.gz JWMDBWQVLSGPCO-SFHVURJKSA-N 1 0 274.452 3.958 10 0 CHAERO CC(C)OCCC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000020558369 171250877 /nfs/dbraw/zinc/25/08/77/171250877.db2.gz UPZYZQWNNFOSRO-OAGGEKHMSA-N 1 0 255.446 3.852 10 0 CHAERO C[C@H]1[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CCC[C@@H]1C ZINC000020564667 171253330 /nfs/dbraw/zinc/25/33/30/171253330.db2.gz FIKHPPTVPLIQRQ-HDMKZQKVSA-N 1 0 283.419 3.787 10 0 CHAERO CCC[C@@H]([NH2+]C[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000020564569 171253500 /nfs/dbraw/zinc/25/35/00/171253500.db2.gz FJQQWVGIODCIIV-IAGOWNOFSA-N 1 0 262.441 3.704 10 0 CHAERO CCC[C@H]([NH2+]C[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC000020564567 171253578 /nfs/dbraw/zinc/25/35/78/171253578.db2.gz FJQQWVGIODCIIV-IRXDYDNUSA-N 1 0 262.441 3.704 10 0 CHAERO Cc1ccc(F)cc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595897 171264422 /nfs/dbraw/zinc/26/44/22/171264422.db2.gz OPLZCLRTNLIBKN-KRWDZBQOSA-N 1 0 284.378 3.821 10 0 CHAERO CCn1cc(C[NH2+]Cc2ccccc2)c2ccccc21 ZINC000020934917 171281801 /nfs/dbraw/zinc/28/18/01/171281801.db2.gz ZSHKBORYBRLSSD-UHFFFAOYSA-N 1 0 264.372 3.951 10 0 CHAERO CC[C@@H](C)C[C@@](CC)(C[NH3+])N1CCc2ccccc21 ZINC000021009892 171286398 /nfs/dbraw/zinc/28/63/98/171286398.db2.gz QBXHNBIROZIIMU-PBHICJAKSA-N 1 0 260.425 3.593 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000021015263 171289655 /nfs/dbraw/zinc/28/96/55/171289655.db2.gz AYXWBTZNZLQJQS-RWSFTLGLSA-N 1 0 253.336 3.879 10 0 CHAERO CC[C@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1cc(C)ccc1OC ZINC000021030132 171291486 /nfs/dbraw/zinc/29/14/86/171291486.db2.gz GORSDKLCBNDMHW-UAGQMJEPSA-N 1 0 291.435 3.989 10 0 CHAERO N[C@H]1CC[C@H](c2ccccc2)C[C@@H]1[NH+]1CCCCCC1 ZINC000021039162 171292780 /nfs/dbraw/zinc/29/27/80/171292780.db2.gz HRTQGENBYQAFPX-BZSNNMDCSA-N 1 0 272.436 3.526 10 0 CHAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCOCC1CC1 ZINC000021045093 171294188 /nfs/dbraw/zinc/29/41/88/171294188.db2.gz PEHFPGGUEXOGIE-UAGQMJEPSA-N 1 0 267.457 3.854 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCOCC1CC1 ZINC000021045075 171294259 /nfs/dbraw/zinc/29/42/59/171294259.db2.gz PEHFPGGUEXOGIE-PVAVHDDUSA-N 1 0 267.457 3.854 10 0 CHAERO Cc1ccc(C)c([C@@H]([NH3+])COc2ccccc2C)c1 ZINC000021501084 171305375 /nfs/dbraw/zinc/30/53/75/171305375.db2.gz YFBGGFVEAQFFKG-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO [NH3+][C@H]1c2ccccc2CCC[C@@H]1Oc1ccc(F)cc1 ZINC000021505963 171307625 /nfs/dbraw/zinc/30/76/25/171307625.db2.gz PQLABYGEJPXEFW-IRXDYDNUSA-N 1 0 271.335 3.609 10 0 CHAERO CC(C)(C)C1CCC(CN)([NH+]2CCCCCC2)CC1 ZINC000021506561 171308185 /nfs/dbraw/zinc/30/81/85/171308185.db2.gz XGCIFDBADABEQO-UHFFFAOYSA-N 1 0 266.473 3.796 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2cc(C)cc(C)c2)cc1 ZINC000021506387 171308259 /nfs/dbraw/zinc/30/82/59/171308259.db2.gz LITSMIDYRJKVTO-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO Cc1ccc(OC[C@@H]([NH3+])c2ccc(C)cc2C)c(C)c1 ZINC000021513562 171311512 /nfs/dbraw/zinc/31/15/12/171311512.db2.gz IZQBBOAZHOVETA-QGZVFWFLSA-N 1 0 269.388 3.999 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2cccc3c2OC(C)(C)C3)C1 ZINC000021514855 171312012 /nfs/dbraw/zinc/31/20/12/171312012.db2.gz JNGVEWAWAGRRJX-XPKDYRNWSA-N 1 0 289.419 3.685 10 0 CHAERO CN(CCC[NH2+]CCCc1ccccc1)c1ccccc1 ZINC000021516226 171312454 /nfs/dbraw/zinc/31/24/54/171312454.db2.gz JMBATYSQFJSWDC-UHFFFAOYSA-N 1 0 282.431 3.735 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](CN)c2ccc(C(C)(C)C)cc2)C1 ZINC000021517886 171313904 /nfs/dbraw/zinc/31/39/04/171313904.db2.gz RWOPBQVSYOELFC-DAYGRLMNSA-N 1 0 288.479 3.962 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2ccc(C)c(C)c2)c(C)c1 ZINC000021519139 171315134 /nfs/dbraw/zinc/31/51/34/171315134.db2.gz ZYMXAQBIFVCXMX-SFHVURJKSA-N 1 0 269.388 3.999 10 0 CHAERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000021519667 171315308 /nfs/dbraw/zinc/31/53/08/171315308.db2.gz XJEJJVMZCMQNMV-UKRRQHHQSA-N 1 0 261.409 4.000 10 0 CHAERO CC(C)C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC000021789928 171323258 /nfs/dbraw/zinc/32/32/58/171323258.db2.gz BLHJVGDXNQKZBM-CZUORRHYSA-N 1 0 282.859 3.967 10 0 CHAERO CC(C)C[C@@H](C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC000021789924 171323382 /nfs/dbraw/zinc/32/33/82/171323382.db2.gz BLHJVGDXNQKZBM-CJNGLKHVSA-N 1 0 282.859 3.967 10 0 CHAERO Cc1nccn1[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021789403 171323389 /nfs/dbraw/zinc/32/33/89/171323389.db2.gz IDNYKDFSIOWHDH-HOTGVXAUSA-N 1 0 263.429 3.975 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](n2cnc3ccccc32)C1 ZINC000021790365 171324003 /nfs/dbraw/zinc/32/40/03/171324003.db2.gz GXTWMNBHJWYUAG-WWGRRREGSA-N 1 0 271.408 3.751 10 0 CHAERO Cc1cc(C)c([C@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000021807063 171328037 /nfs/dbraw/zinc/32/80/37/171328037.db2.gz HFNAHHPEPPBDNC-CKEIUWERSA-N 1 0 274.452 3.590 10 0 CHAERO CCN(C[C@H]([NH3+])c1ccc(C)cc1C)c1ccccc1 ZINC000021812693 171330273 /nfs/dbraw/zinc/33/02/73/171330273.db2.gz WSFRWGXKKLTADV-SFHVURJKSA-N 1 0 268.404 3.830 10 0 CHAERO COc1cccc([C@H]([NH3+])COc2ccc(C(C)C)cc2)c1 ZINC000021813253 171330387 /nfs/dbraw/zinc/33/03/87/171330387.db2.gz BRBUASHZSTVLTO-GOSISDBHSA-N 1 0 285.387 3.897 10 0 CHAERO CC[N@H+](C[C@@H](N)c1ccc(C)c(C)c1)C1CCCCC1 ZINC000021813264 171330722 /nfs/dbraw/zinc/33/07/22/171330722.db2.gz GMHWNQJELIRHQT-GOSISDBHSA-N 1 0 274.452 3.958 10 0 CHAERO CCCC1CCC([NH2+]C[C@H](C(C)C)N(C)C)CC1 ZINC000022149857 171357856 /nfs/dbraw/zinc/35/78/56/171357856.db2.gz CMQFUKAJKHIHNN-UYSNPLJNSA-N 1 0 254.462 3.521 10 0 CHAERO CCCC1CCC([NH2+]C[C@@H](C(C)C)N(C)C)CC1 ZINC000022149854 171357956 /nfs/dbraw/zinc/35/79/56/171357956.db2.gz CMQFUKAJKHIHNN-GPANFISMSA-N 1 0 254.462 3.521 10 0 CHAERO COc1ccc(Oc2cc(C[NH3+])ccn2)c(C(C)(C)C)c1 ZINC000022162260 171364111 /nfs/dbraw/zinc/36/41/11/171364111.db2.gz HFUZJDQATZKHND-UHFFFAOYSA-N 1 0 286.375 3.639 10 0 CHAERO CC[N@H+]([C@H](CN)c1sccc1C)C1CCCCC1 ZINC000022163546 171364917 /nfs/dbraw/zinc/36/49/17/171364917.db2.gz LWOPOQCZKRBTIE-CQSZACIVSA-N 1 0 266.454 3.711 10 0 CHAERO Oc1ccc([C@H]([NH2+]C2CC2)c2ccc(Cl)cc2)cc1 ZINC000022173209 171368834 /nfs/dbraw/zinc/36/88/34/171368834.db2.gz IWPKYOKSFAMEFH-MRXNPFEDSA-N 1 0 273.763 3.887 10 0 CHAERO CC[C@@H]([NH3+])c1ccccc1OCc1cccc(F)c1 ZINC000022209354 171373149 /nfs/dbraw/zinc/37/31/49/171373149.db2.gz XRIUSUSZRROGCK-OAHLLOKOSA-N 1 0 259.324 3.815 10 0 CHAERO C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N(C)c2ccccc2)o1 ZINC000022218954 171376870 /nfs/dbraw/zinc/37/68/70/171376870.db2.gz CSQYHTXZDAMJPV-VHDGCEQUSA-N 1 0 270.376 3.539 10 0 CHAERO [NH3+][C@@H](COc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000022566183 171392161 /nfs/dbraw/zinc/39/21/61/171392161.db2.gz SGDJZOYTNGKMMR-AWEZNQCLSA-N 1 0 281.277 3.784 10 0 CHAERO Fc1ccccc1C[n+]1ccc(Cc2ccccc2)cc1 ZINC000022694259 171396033 /nfs/dbraw/zinc/39/60/33/171396033.db2.gz DQJZAKOPZHMKNU-UHFFFAOYSA-N 1 0 278.350 3.752 10 0 CHAERO CCC[NH+](CCC)[C@@H]1CCc2cc(O)c(C)cc2C1 ZINC000026289026 171478304 /nfs/dbraw/zinc/47/83/04/171478304.db2.gz CTJMNJDFTNRWRV-MRXNPFEDSA-N 1 0 261.409 3.680 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(C2CCCCC2)CC1 ZINC000028239526 171553153 /nfs/dbraw/zinc/55/31/53/171553153.db2.gz VQLVHYIOCYCAQV-DLBZAZTESA-N 1 0 265.441 3.582 10 0 CHAERO Cc1cc(C)cc(Oc2ccc(C[C@H](C)[NH3+])cc2)c1 ZINC000032108834 171701142 /nfs/dbraw/zinc/70/11/42/171701142.db2.gz KBEZEWDFXLFGPG-AWEZNQCLSA-N 1 0 255.361 3.985 10 0 CHAERO CCc1ccccc1O[C@@H](CC[NH3+])c1ccccc1 ZINC000032108748 171701246 /nfs/dbraw/zinc/70/12/46/171701246.db2.gz QPEMOHKMGWQGCY-KRWDZBQOSA-N 1 0 255.361 3.718 10 0 CHAERO Cc1ccc([C@@H](C[NH3+])Oc2ccc(F)cc2Cl)cc1 ZINC000032126340 171713284 /nfs/dbraw/zinc/71/32/84/171713284.db2.gz SIMGDOFRTPFYAB-OAHLLOKOSA-N 1 0 279.742 3.866 10 0 CHAERO Cc1cccc(OCC[NH+](CC(C)C)CC(C)C)c1 ZINC000033809207 171821412 /nfs/dbraw/zinc/82/14/12/171821412.db2.gz SCGKOPYDXDIXSH-UHFFFAOYSA-N 1 0 263.425 3.988 10 0 CHAERO [NH3+][C@H](Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000033857987 171823217 /nfs/dbraw/zinc/82/32/17/171823217.db2.gz HEGMAOBTPAUJNC-CQSZACIVSA-N 1 0 265.278 3.948 10 0 CHAERO CC[NH2+]Cc1ccc(Br)cc1N(C)CC(C)C ZINC000034824970 171880081 /nfs/dbraw/zinc/88/00/81/171880081.db2.gz GSXILQDNQDDUKR-UHFFFAOYSA-N 1 0 299.256 3.651 10 0 CHAERO CCC[NH2+][C@H](C)c1cc(F)ccc1N(CC)C1CC1 ZINC000034841050 171884579 /nfs/dbraw/zinc/88/45/79/171884579.db2.gz OAJPDAAJFNWPGH-GFCCVEGCSA-N 1 0 264.388 3.875 10 0 CHAERO CC[NH2+][C@@H](C)c1cc(F)ccc1OCCC(C)C ZINC000034842792 171886216 /nfs/dbraw/zinc/88/62/16/171886216.db2.gz ZDMSXHIKEGVQRT-LBPRGKRZSA-N 1 0 253.361 3.921 10 0 CHAERO COc1cc(C[NH3+])cc(Cl)c1OCC1CCCCC1 ZINC000034957147 171903305 /nfs/dbraw/zinc/90/33/05/171903305.db2.gz LQUQQSLPZIPZKD-UHFFFAOYSA-N 1 0 283.799 3.766 10 0 CHAERO CC(C)[C@@H]([NH2+]C1CCSCC1)c1cccs1 ZINC000035017416 171934116 /nfs/dbraw/zinc/93/41/16/171934116.db2.gz IDAFACGOMGXUPA-CYBMUJFWSA-N 1 0 255.452 3.930 10 0 CHAERO C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000035021777 171940463 /nfs/dbraw/zinc/94/04/63/171940463.db2.gz WEHGQMVEIHKNFJ-UPJWGTAASA-N 1 0 279.811 3.889 10 0 CHAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1SCCOC ZINC000035058872 171961329 /nfs/dbraw/zinc/96/13/29/171961329.db2.gz XBRDRCMREXWDIF-NSHDSACASA-N 1 0 271.401 3.625 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@@]1(CN)CCCc2ccccc21 ZINC000035176741 172029834 /nfs/dbraw/zinc/02/98/34/172029834.db2.gz QGBAWMJIZDCUDT-LJQANCHMSA-N 1 0 286.463 3.832 10 0 CHAERO Cc1ccc([C@H](N)[C@@H](C)[N@H+](C)C2CCCCC2)cc1 ZINC000035219789 172061279 /nfs/dbraw/zinc/06/12/79/172061279.db2.gz YRDUJMNPDKYJRC-RHSMWYFYSA-N 1 0 260.425 3.648 10 0 CHAERO CCC[C@@H](C)[N@H+](C)Cc1cc(C(C)=O)ccc1OC ZINC000035255587 172085096 /nfs/dbraw/zinc/08/50/96/172085096.db2.gz KSBJTQRQTMQUIC-GFCCVEGCSA-N 1 0 263.381 3.518 10 0 CHAERO FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000035273178 172093448 /nfs/dbraw/zinc/09/34/48/172093448.db2.gz IUCPYFPKDMFMMH-WDEREUQCSA-N 1 0 293.354 3.728 10 0 CHAERO C[C@H](NC1=[NH+]C[C@H](C)S1)C12CC3CC(CC(C3)C1)C2 ZINC000035294343 172105843 /nfs/dbraw/zinc/10/58/43/172105843.db2.gz IQLZPKMURIDLPX-AJNSSVRESA-N 1 0 278.465 3.672 10 0 CHAERO CCC[NH2+]Cc1cccn1Cc1cccc(Cl)c1 ZINC000035293084 172105982 /nfs/dbraw/zinc/10/59/82/172105982.db2.gz LJBMDDUXBUVCBR-UHFFFAOYSA-N 1 0 262.784 3.689 10 0 CHAERO Cc1occc1[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035382394 172165544 /nfs/dbraw/zinc/16/55/44/172165544.db2.gz PTZVQBWXDZYZAO-GFCCVEGCSA-N 1 0 256.132 3.943 10 0 CHAERO C[NH2+][C@@H](CC(C)C)c1ccc(OC)c(Br)c1 ZINC000035455565 172206767 /nfs/dbraw/zinc/20/67/67/172206767.db2.gz LNINNJLUJYPIEE-LBPRGKRZSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(Br)c1)C1CCCC1 ZINC000035455759 172206917 /nfs/dbraw/zinc/20/69/17/172206917.db2.gz COAUFZMOQHZTCM-AWEZNQCLSA-N 1 0 298.224 3.908 10 0 CHAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(C)s2)s1 ZINC000035460533 172209537 /nfs/dbraw/zinc/20/95/37/172209537.db2.gz SKYGCFAXNQTFMC-ZDUSSCGKSA-N 1 0 251.420 3.989 10 0 CHAERO C[NH2+][C@H](CCc1ccc(OC)cc1)c1ccccc1 ZINC000035465129 172212343 /nfs/dbraw/zinc/21/23/43/172212343.db2.gz GFZMRNAOVPOGQY-QGZVFWFLSA-N 1 0 255.361 3.589 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1F)c1ccc(Cl)cc1 ZINC000035464607 172212361 /nfs/dbraw/zinc/21/23/61/172212361.db2.gz BEQWWVQOXDENGD-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000035464331 172212387 /nfs/dbraw/zinc/21/23/87/172212387.db2.gz YXPUAVLORVNOHM-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@@H](c1ccccc1)c1cc(F)cc(Br)c1 ZINC000035464877 172212652 /nfs/dbraw/zinc/21/26/52/172212652.db2.gz PEUYKGQCKPGYDA-AWEZNQCLSA-N 1 0 294.167 3.897 10 0 CHAERO CCOc1ccc([C@H]([NH2+]C)c2cccc(C)c2)cc1 ZINC000035466540 172214374 /nfs/dbraw/zinc/21/43/74/172214374.db2.gz JGKQQISQPYMIGY-KRWDZBQOSA-N 1 0 255.361 3.703 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(F)ccc1F ZINC000035468574 172217977 /nfs/dbraw/zinc/21/79/77/172217977.db2.gz VBIJUJLLDKWQPN-CYBMUJFWSA-N 1 0 253.317 3.644 10 0 CHAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1cc(F)ccc1F ZINC000035468778 172218593 /nfs/dbraw/zinc/21/85/93/172218593.db2.gz XKXQNAFMINBGQO-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1c(F)cc(F)cc1F)C1CCCCC1 ZINC000035469529 172220882 /nfs/dbraw/zinc/22/08/82/172220882.db2.gz VASYALJTLKRANV-AWEZNQCLSA-N 1 0 257.299 3.945 10 0 CHAERO CCCCC[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488801 172223638 /nfs/dbraw/zinc/22/36/38/172223638.db2.gz XYIIYQPTEVJYSN-CQSZACIVSA-N 1 0 251.370 3.545 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)o1)c1cc(C)ccc1C ZINC000035489404 172223846 /nfs/dbraw/zinc/22/38/46/172223846.db2.gz IZMKRKVUVWWQDA-AWEZNQCLSA-N 1 0 294.192 3.968 10 0 CHAERO C[NH2+][C@H](c1ccc(F)c(F)c1)c1ccccc1Cl ZINC000035494265 172227785 /nfs/dbraw/zinc/22/77/85/172227785.db2.gz BNDVUJNKBAAKOS-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(OC)cc1 ZINC000035497776 172231283 /nfs/dbraw/zinc/23/12/83/172231283.db2.gz XVZKSKQACDSAAK-HNNXBMFYSA-N 1 0 261.390 3.682 10 0 CHAERO CC[C@@H](C)[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCCO2 ZINC000035501152 172234660 /nfs/dbraw/zinc/23/46/60/172234660.db2.gz AWHULWFWNZJNGX-MEBBXXQBSA-N 1 0 283.799 3.808 10 0 CHAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501362 172235560 /nfs/dbraw/zinc/23/55/60/172235560.db2.gz FIUHTPYHUQXBPP-MEBBXXQBSA-N 1 0 283.799 3.808 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(F)c1)c1ccccc1Cl ZINC000035507549 172240078 /nfs/dbraw/zinc/24/00/78/172240078.db2.gz VYBZVOMGNYJREQ-OAHLLOKOSA-N 1 0 279.742 3.797 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(Br)c1)C(C)C ZINC000035508241 172240540 /nfs/dbraw/zinc/24/05/40/172240540.db2.gz OWLZSJWMBXGNIC-CYBMUJFWSA-N 1 0 286.213 3.764 10 0 CHAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000035545045 172252652 /nfs/dbraw/zinc/25/26/52/172252652.db2.gz WNZBXDUVCNOUHR-CYBMUJFWSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1F ZINC000035547603 172256232 /nfs/dbraw/zinc/25/62/32/172256232.db2.gz VQWSGKPETUGFEU-SNVBAGLBSA-N 1 0 253.214 3.568 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000035549133 172256351 /nfs/dbraw/zinc/25/63/51/172256351.db2.gz ZEOBDAPZCKGMOM-SNVBAGLBSA-N 1 0 253.214 3.568 10 0 CHAERO CC[NH2+][C@H](c1cc(F)ccc1OC)C1CCCC1 ZINC000035554770 172260605 /nfs/dbraw/zinc/26/06/05/172260605.db2.gz OKMVOKYCTRPGSF-HNNXBMFYSA-N 1 0 251.345 3.675 10 0 CHAERO CC[NH2+][C@@H](c1csc2ccccc12)[C@@H]1CCCO1 ZINC000035555269 172261997 /nfs/dbraw/zinc/26/19/97/172261997.db2.gz RSBRQVZAJQBMMV-ZFWWWQNUSA-N 1 0 261.390 3.731 10 0 CHAERO CC(C)C[C@H]1CN(Cc2ccccc2)[C@H](C(C)C)C[NH2+]1 ZINC000035565306 172264788 /nfs/dbraw/zinc/26/47/88/172264788.db2.gz NQWRSIHHMWCWNV-ROUUACIJSA-N 1 0 274.452 3.531 10 0 CHAERO CCCC[C@@H](CC)[C@@H](Cc1ncc[nH]1)[NH2+]CCC ZINC000035586392 172285639 /nfs/dbraw/zinc/28/56/39/172285639.db2.gz YNYMLSTXZAVGEF-ZIAGYGMSSA-N 1 0 251.418 3.537 10 0 CHAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035586669 172285905 /nfs/dbraw/zinc/28/59/05/172285905.db2.gz IIYJLGGIMQUUBI-ZDUSSCGKSA-N 1 0 298.217 4.000 10 0 CHAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035587143 172286400 /nfs/dbraw/zinc/28/64/00/172286400.db2.gz ATBFMGKGYLUJSW-OAHLLOKOSA-N 1 0 279.380 3.985 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)C(C)(C)C ZINC000035587175 172286492 /nfs/dbraw/zinc/28/64/92/172286492.db2.gz DAQYWSSOTGBXMX-AWEZNQCLSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)C(CC)CC ZINC000035643629 172321323 /nfs/dbraw/zinc/32/13/23/172321323.db2.gz ZFUGXGAAJIPDEL-GFCCVEGCSA-N 1 0 262.397 3.732 10 0 CHAERO CC[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000035652854 172329672 /nfs/dbraw/zinc/32/96/72/172329672.db2.gz YZCFKOLLYKBPAT-MRXNPFEDSA-N 1 0 253.345 3.787 10 0 CHAERO CCC[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000035652946 172330004 /nfs/dbraw/zinc/33/00/04/172330004.db2.gz MJMGHTSNPRLOGQ-SNVBAGLBSA-N 1 0 260.164 3.817 10 0 CHAERO CC(C)[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000035654190 172330272 /nfs/dbraw/zinc/33/02/72/172330272.db2.gz KDVQWWQGNMOUFC-NSHDSACASA-N 1 0 260.164 3.815 10 0 CHAERO Clc1ccc(Cl)c2c1OCCC[C@H]2[NH2+]C1CC1 ZINC000035654220 172330925 /nfs/dbraw/zinc/33/09/25/172330925.db2.gz WMWVRWQULVDLDM-LLVKDONJSA-N 1 0 272.175 3.959 10 0 CHAERO C[NH2+][C@H](C)c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717654 172371009 /nfs/dbraw/zinc/37/10/09/172371009.db2.gz SWRLTOWNGWXVJX-LLVKDONJSA-N 1 0 278.396 3.804 10 0 CHAERO CCc1cc(Oc2cc(C[NH3+])ccn2)ccc1Cl ZINC000035719868 172373926 /nfs/dbraw/zinc/37/39/26/172373926.db2.gz FHBJCPHWAVICFH-UHFFFAOYSA-N 1 0 262.740 3.548 10 0 CHAERO C[NH2+]Cc1c(Cl)cccc1N(C)Cc1ccsc1 ZINC000035719620 172373936 /nfs/dbraw/zinc/37/39/36/172373936.db2.gz HLPNVLJLDHXFKR-UHFFFAOYSA-N 1 0 280.824 3.757 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1nc2ccccc2s1 ZINC000035722513 172378295 /nfs/dbraw/zinc/37/82/95/172378295.db2.gz RATJRZZNCHACRA-PWSUYJOCSA-N 1 0 278.446 3.906 10 0 CHAERO Cc1ccc(SCc2cc(C[NH3+])ccc2F)cc1 ZINC000035722970 172378305 /nfs/dbraw/zinc/37/83/05/172378305.db2.gz LUNURCVRHCPDFP-UHFFFAOYSA-N 1 0 261.365 3.885 10 0 CHAERO [NH3+]Cc1ccc(COc2ccc(Cl)cc2)c(F)c1 ZINC000035726475 172380801 /nfs/dbraw/zinc/38/08/01/172380801.db2.gz OBIKGSNGBMSITI-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO Cc1ccc(Cl)c(OCc2ccc(C[NH3+])cc2)c1 ZINC000035725980 172380846 /nfs/dbraw/zinc/38/08/46/172380846.db2.gz DPFIWUYEKGBMHH-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO [NH3+][C@H](Cc1nccs1)c1ccc2ccccc2c1 ZINC000036279015 172570243 /nfs/dbraw/zinc/57/02/43/172570243.db2.gz JQZQJZOGWXFVDP-CQSZACIVSA-N 1 0 254.358 3.539 10 0 CHAERO CCC[C@@H](C)N(C)c1ccc(F)cc1C[NH2+]CC ZINC000036791308 172710983 /nfs/dbraw/zinc/71/09/83/172710983.db2.gz WWSAFMQVVYCIQH-GFCCVEGCSA-N 1 0 252.377 3.560 10 0 CHAERO CC[NH+]1CCC(Nc2ccc3nc(C)sc3c2)CC1 ZINC000036956024 172827879 /nfs/dbraw/zinc/82/78/79/172827879.db2.gz BJEWCUACDUTCAX-UHFFFAOYSA-N 1 0 275.421 3.501 10 0 CHAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc2[nH]c3ccccc3c2c1 ZINC000037021752 172886128 /nfs/dbraw/zinc/88/61/28/172886128.db2.gz SFZSNPHXSXAJCG-OMXAPOSASA-N 1 0 250.345 3.977 10 0 CHAERO CC[C@@H](C)N(CC)[C@@H](C[NH3+])c1ccccc1Br ZINC000037112761 172965228 /nfs/dbraw/zinc/96/52/28/172965228.db2.gz CTAQJDKKWQHJTF-RISCZKNCSA-N 1 0 299.256 3.569 10 0 CHAERO CCCCCO[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000037114173 172966195 /nfs/dbraw/zinc/96/61/95/172966195.db2.gz IMYLWJKBBRXBID-ULQDDVLXSA-N 1 0 261.409 3.857 10 0 CHAERO CC[NH2+][C@H](C)c1c(F)cccc1N(C)C[C@@H](C)CC ZINC000037173483 173007648 /nfs/dbraw/zinc/00/76/48/173007648.db2.gz BRWATSNCGVNOQZ-QWHCGFSZSA-N 1 0 266.404 3.979 10 0 CHAERO Cc1nc2sccn2c1C[NH2+][C@@H](C)c1ccccc1 ZINC000037185733 173017576 /nfs/dbraw/zinc/01/75/76/173017576.db2.gz YREQHXQRQDDKMM-NSHDSACASA-N 1 0 271.389 3.555 10 0 CHAERO CCc1ccc([C@H]([NH3+])[C@H](C)Oc2ccccc2)cc1 ZINC000037224101 173044358 /nfs/dbraw/zinc/04/43/58/173044358.db2.gz SUEJYFNGOXOYEV-SUMWQHHRSA-N 1 0 255.361 3.716 10 0 CHAERO Cc1cccc(C[C@@H]([NH3+])c2nc3ccccc3s2)c1 ZINC000037239256 173056139 /nfs/dbraw/zinc/05/61/39/173056139.db2.gz FPSPNCUCNJXDJZ-CYBMUJFWSA-N 1 0 268.385 3.847 10 0 CHAERO COc1cc([C@H](C)[NH2+]CC2CCCCC2)ccc1O ZINC000037259477 173069764 /nfs/dbraw/zinc/06/97/64/173069764.db2.gz RNXNEXVYIJGNRB-LBPRGKRZSA-N 1 0 263.381 3.632 10 0 CHAERO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000037260338 173070745 /nfs/dbraw/zinc/07/07/45/173070745.db2.gz MJAGZOIWLNEFDO-STQMWFEESA-N 1 0 259.349 3.570 10 0 CHAERO CCC[C@@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000037301260 173107358 /nfs/dbraw/zinc/10/73/58/173107358.db2.gz KBHIITAJZBXTTQ-LLVKDONJSA-N 1 0 283.799 3.780 10 0 CHAERO CCOc1cc(Cl)c([C@H]([NH3+])C2CCC2)cc1OCC ZINC000037332940 173134237 /nfs/dbraw/zinc/13/42/37/173134237.db2.gz YFVGEAAPPDMWFT-OAHLLOKOSA-N 1 0 283.799 3.937 10 0 CHAERO CC[C@@H](C(=O)c1ccccc1)[N@H+](C)C1CCCCC1 ZINC000037333184 173134588 /nfs/dbraw/zinc/13/45/88/173134588.db2.gz PNXZVTCPFIWGFT-INIZCTEOSA-N 1 0 259.393 3.912 10 0 CHAERO CCC[N@H+](C(C)C)[C@@H](C)C(=O)c1ccc(CC)cc1 ZINC000037335224 173136824 /nfs/dbraw/zinc/13/68/24/173136824.db2.gz STWPXDCTGKDXLZ-AWEZNQCLSA-N 1 0 261.409 3.941 10 0 CHAERO Cc1ccc(C)c(C(=O)[C@H](C)[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000037339080 173140325 /nfs/dbraw/zinc/14/03/25/173140325.db2.gz DKPAIKZVSORDKK-GJZGRUSLSA-N 1 0 261.409 3.851 10 0 CHAERO CCCC[C@H]([NH3+])c1nc2cc(C)ccc2n1CCC ZINC000037438268 173208679 /nfs/dbraw/zinc/20/86/79/173208679.db2.gz KVQLDKQKARHYJV-ZDUSSCGKSA-N 1 0 259.397 3.945 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]1CCC[NH2+]C1 ZINC000037440483 173210423 /nfs/dbraw/zinc/21/04/23/173210423.db2.gz MSBRPGDSOPJDAU-LLVKDONJSA-N 1 0 277.799 3.567 10 0 CHAERO CCn1c([C@H]2CCCC[NH2+]2)nc2cccc(Cl)c21 ZINC000037444021 173212296 /nfs/dbraw/zinc/21/22/96/173212296.db2.gz LRCZHJNJONFPIC-GFCCVEGCSA-N 1 0 263.772 3.524 10 0 CHAERO C[C@]([NH3+])(Cc1cccc(Cl)c1)c1ccccc1F ZINC000037531241 173253278 /nfs/dbraw/zinc/25/32/78/173253278.db2.gz HCTBLSJZHZNBQF-HNNXBMFYSA-N 1 0 263.743 3.896 10 0 CHAERO C[NH2+][C@H](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000037535022 173254589 /nfs/dbraw/zinc/25/45/89/173254589.db2.gz CFLJYJUKVLXIFP-QGZVFWFLSA-N 1 0 257.352 3.507 10 0 CHAERO [NH3+]CCc1c(OC2CCCC2)ccc2ccccc21 ZINC000037721521 173639700 /nfs/dbraw/zinc/63/97/00/173639700.db2.gz LBSJOTDYLIKGOT-UHFFFAOYSA-N 1 0 255.361 3.662 10 0 CHAERO CCCOc1ccc(C[C@@H]([NH3+])CC)c(OCCC)c1 ZINC000037722311 173641069 /nfs/dbraw/zinc/64/10/69/173641069.db2.gz GVDYEFSLTLWOBO-AWEZNQCLSA-N 1 0 265.397 3.544 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1ccc(F)c(C)c1 ZINC000037734759 173653982 /nfs/dbraw/zinc/65/39/82/173653982.db2.gz VSLFTYZDYMMGOI-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO CC(C)[C@@H]1CC[C@H](C)C[C@@]1([NH2+]C1CCCCCC1)C(N)=O ZINC000037970506 173920578 /nfs/dbraw/zinc/92/05/78/173920578.db2.gz LKFFRZCGVUSRHC-ZVZYQTTQSA-N 1 0 294.483 3.615 10 0 CHAERO CC[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000038004298 173966148 /nfs/dbraw/zinc/96/61/48/173966148.db2.gz KOHAXNITRFYNAA-ONGXEEELSA-N 1 0 261.287 3.501 10 0 CHAERO c1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CCCc3ccccc31)O2 ZINC000038009519 173975220 /nfs/dbraw/zinc/97/52/20/173975220.db2.gz RBLPJUZYVQCZMW-FUHWJXTLSA-N 1 0 279.383 3.657 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)cc1C ZINC000038028651 174017093 /nfs/dbraw/zinc/01/70/93/174017093.db2.gz SHEVGKYZHYTENF-IRXDYDNUSA-N 1 0 274.452 3.828 10 0 CHAERO C[C@H](CNc1ccc2ccccc2n1)[NH+]1CCCCC1 ZINC000038029341 174019205 /nfs/dbraw/zinc/01/92/05/174019205.db2.gz RYPMLMJVNMXQDJ-CQSZACIVSA-N 1 0 269.392 3.521 10 0 CHAERO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032633 174028194 /nfs/dbraw/zinc/02/81/94/174028194.db2.gz UBEFWMWDFRWMJK-LRDDRELGSA-N 1 0 282.387 3.544 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccnc(C)n2)c(C)c1 ZINC000038037436 174037794 /nfs/dbraw/zinc/03/77/94/174037794.db2.gz LVTBXEVVEXORCW-AWEZNQCLSA-N 1 0 269.392 3.561 10 0 CHAERO Cc1nccc(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000038037256 174037852 /nfs/dbraw/zinc/03/78/52/174037852.db2.gz UFIQYYSMGHZXQE-KRWDZBQOSA-N 1 0 281.403 3.687 10 0 CHAERO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1c(F)cccc1F ZINC000038041674 174043735 /nfs/dbraw/zinc/04/37/35/174043735.db2.gz WKWZOGKKHDLSRQ-UONOGXRCSA-N 1 0 296.405 3.737 10 0 CHAERO Cc1cccc2oc(CC[C@@H]([NH3+])c3ccccc3)nc21 ZINC000038052714 174064121 /nfs/dbraw/zinc/06/41/21/174064121.db2.gz YDNKVONHTZHRAA-CQSZACIVSA-N 1 0 266.344 3.769 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+]CCCC(C)C)n12 ZINC000038054735 174066391 /nfs/dbraw/zinc/06/63/91/174066391.db2.gz LWGSXDKBPMEWOW-UHFFFAOYSA-N 1 0 265.426 3.538 10 0 CHAERO C[NH2+][C@H](CC1CCCC1)c1ccc2c(c1)CCCO2 ZINC000038057941 174068360 /nfs/dbraw/zinc/06/83/60/174068360.db2.gz KQBLFWNKLRBNEJ-MRXNPFEDSA-N 1 0 259.393 3.852 10 0 CHAERO COc1cccc(-c2ccccc2C[NH2+]C(C)C)c1 ZINC000038071477 174081991 /nfs/dbraw/zinc/08/19/91/174081991.db2.gz MPLBRSOBWBAPAB-UHFFFAOYSA-N 1 0 255.361 3.860 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(-c2cnn(-c3ccccc3)c2)cc1 ZINC000038073236 174083232 /nfs/dbraw/zinc/08/32/32/174083232.db2.gz ODASBUBKRKAZCU-GOSISDBHSA-N 1 0 277.371 3.949 10 0 CHAERO C[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)cc1F ZINC000038073301 174083280 /nfs/dbraw/zinc/08/32/80/174083280.db2.gz ADCVHSDPEFFMTO-UHFFFAOYSA-N 1 0 279.742 3.874 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2cc(F)ccc2OC)cc1 ZINC000038073354 174083353 /nfs/dbraw/zinc/08/33/53/174083353.db2.gz OKKWYVPPJSROGG-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO COc1ccc(F)cc1-c1ccccc1C[NH2+]C(C)C ZINC000038073403 174083441 /nfs/dbraw/zinc/08/34/41/174083441.db2.gz OTPYMBAJUKINEU-UHFFFAOYSA-N 1 0 273.351 3.999 10 0 CHAERO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)N(C)C ZINC000038087654 174099376 /nfs/dbraw/zinc/09/93/76/174099376.db2.gz RYAZNODMKWGIRP-OIISXLGYSA-N 1 0 266.473 3.665 10 0 CHAERO COc1ccc(C2CC([NH2+]CCCC(C)C)C2)cc1 ZINC000038093609 174107614 /nfs/dbraw/zinc/10/76/14/174107614.db2.gz KXUYBQPXUOQYHR-UHFFFAOYSA-N 1 0 261.409 3.967 10 0 CHAERO c1ccc2c(c1)CCCC[C@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038095357 174108735 /nfs/dbraw/zinc/10/87/35/174108735.db2.gz NBMAPNHPOHVOPM-DOTOQJQBSA-N 1 0 259.393 3.613 10 0 CHAERO CCc1ccc([C@H](CC)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038096078 174110187 /nfs/dbraw/zinc/11/01/87/174110187.db2.gz VTDGYVBYMKXMRG-IRXDYDNUSA-N 1 0 261.409 3.859 10 0 CHAERO CC[NH2+][C@H](Cc1cccc(OC)c1)c1sccc1C ZINC000038134758 174132635 /nfs/dbraw/zinc/13/26/35/174132635.db2.gz XJDPGAXMEKBFSX-OAHLLOKOSA-N 1 0 275.417 3.958 10 0 CHAERO C[NH+](C)[C@H]1CCc2[nH]c3cccc(C(F)(F)F)c3c2C1 ZINC000039214060 174166406 /nfs/dbraw/zinc/16/64/06/174166406.db2.gz FVYRZLWDGSNKPI-VIFPVBQESA-N 1 0 282.309 3.606 10 0 CHAERO CC(C)(C)C[C@@H]([NH3+])c1ccc(Br)s1 ZINC000040236335 174212160 /nfs/dbraw/zinc/21/21/60/174212160.db2.gz LWZGUMXJJIXHHU-SSDOTTSWSA-N 1 0 262.216 3.947 10 0 CHAERO C[NH+](C)CCCn1c2ccc(Cl)cc2nc1C1CC1 ZINC000040404193 174253847 /nfs/dbraw/zinc/25/38/47/174253847.db2.gz OAUDSEIAGIVYPY-UHFFFAOYSA-N 1 0 277.799 3.519 10 0 CHAERO CCC[NH2+]Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000040415676 174256063 /nfs/dbraw/zinc/25/60/63/174256063.db2.gz CRNMIVUMQIRUFD-UHFFFAOYSA-N 1 0 276.405 3.708 10 0 CHAERO C[N@H+](CC[C@@H](O)c1ccc(F)cc1)C1CCCCC1 ZINC000041144843 174495702 /nfs/dbraw/zinc/49/57/02/174495702.db2.gz DVHWJTDEFICKGF-MRXNPFEDSA-N 1 0 265.372 3.514 10 0 CHAERO CCC[NH+](CCC)CC[C@@H](O)c1ccc(Cl)cc1 ZINC000041144966 174495797 /nfs/dbraw/zinc/49/57/97/174495797.db2.gz QRJVWQJIKQRPAB-OAHLLOKOSA-N 1 0 269.816 3.886 10 0 CHAERO CC[C@H]([NH3+])c1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000041162403 174503573 /nfs/dbraw/zinc/50/35/73/174503573.db2.gz MYDFSBFGMSGHFP-ZJUUUORDSA-N 1 0 252.427 3.704 10 0 CHAERO Clc1ccc(NCC[NH+]2CCCCCC2)cc1 ZINC000041322927 174519347 /nfs/dbraw/zinc/51/93/47/174519347.db2.gz VAWZTTRNKUYOOG-UHFFFAOYSA-N 1 0 252.789 3.628 10 0 CHAERO Cc1cc(OCCC[NH2+]CC(C)C)ccc1Cl ZINC000041326262 174522642 /nfs/dbraw/zinc/52/26/42/174522642.db2.gz MWTUWVQYSVMDRT-UHFFFAOYSA-N 1 0 255.789 3.663 10 0 CHAERO CCc1cccc(OCCC[NH2+]C2CCCCC2)c1 ZINC000041352440 174531302 /nfs/dbraw/zinc/53/13/02/174531302.db2.gz DKXWDCSFSPZNOY-UHFFFAOYSA-N 1 0 261.409 3.940 10 0 CHAERO Cc1ccc(OCCC[NH2+]C2CCCCC2)cc1C ZINC000041352504 174531309 /nfs/dbraw/zinc/53/13/09/174531309.db2.gz QDKAQQLYUIEKQN-UHFFFAOYSA-N 1 0 261.409 3.995 10 0 CHAERO Cc1ccc(NCC[NH+]2CCCCCC2)cc1Cl ZINC000041384286 174541114 /nfs/dbraw/zinc/54/11/14/174541114.db2.gz OUJBVJFSSOVBID-UHFFFAOYSA-N 1 0 266.816 3.936 10 0 CHAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042307326 174680286 /nfs/dbraw/zinc/68/02/86/174680286.db2.gz LMQBUCYSEUBGGI-CYBMUJFWSA-N 1 0 294.851 3.842 10 0 CHAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000042553954 174791344 /nfs/dbraw/zinc/79/13/44/174791344.db2.gz QEUNEPLHYZGPKP-UTUOFQBUSA-N 1 0 253.361 3.920 10 0 CHAERO CC(C)N(CC(F)(F)F)[C@H](C[NH3+])c1ccccc1Cl ZINC000042746418 174865254 /nfs/dbraw/zinc/86/52/54/174865254.db2.gz DRRVORAJTNLCTI-GFCCVEGCSA-N 1 0 294.748 3.613 10 0 CHAERO [NH3+]C[C@H](Oc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000042899926 174905263 /nfs/dbraw/zinc/90/52/63/174905263.db2.gz FKMCCXNWXVXGDO-AWEZNQCLSA-N 1 0 281.277 3.784 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1)c1ccc(C)cc1 ZINC000042916310 174916251 /nfs/dbraw/zinc/91/62/51/174916251.db2.gz VMGLCAKMUBYIHP-SJORKVTESA-N 1 0 255.361 3.852 10 0 CHAERO Cc1csc(S[C@@H](c2cccc(C)c2)[C@H](C)[NH3+])n1 ZINC000042969899 174932992 /nfs/dbraw/zinc/93/29/92/174932992.db2.gz PSCKEKZMPAWKSN-WCQYABFASA-N 1 0 278.446 3.941 10 0 CHAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCCC[C@@H]1C)c1cccc(F)c1 ZINC000042973780 174937395 /nfs/dbraw/zinc/93/73/95/174937395.db2.gz IRSYVAOUWBWTGM-UAXWRAGISA-N 1 0 265.372 3.809 10 0 CHAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCCCCC1 ZINC000042974938 174938312 /nfs/dbraw/zinc/93/83/12/174938312.db2.gz HWYGZLOMWAAMDI-SWLSCSKDSA-N 1 0 266.816 3.604 10 0 CHAERO Cc1cccc(O[C@H](c2ccccc2C)[C@@H](C)[NH3+])c1 ZINC000043038640 174952967 /nfs/dbraw/zinc/95/29/67/174952967.db2.gz XKOGWZZIMDQCNY-PBHICJAKSA-N 1 0 255.361 3.771 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OC(C)(C)C)c1ccccc1Cl ZINC000043088166 174963285 /nfs/dbraw/zinc/96/32/85/174963285.db2.gz RXSUCFFPUPPGJS-CHWSQXEVSA-N 1 0 255.789 3.934 10 0 CHAERO CCCCCCO[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043099976 174967142 /nfs/dbraw/zinc/96/71/42/174967142.db2.gz BBVWVIFMKZFQRM-CZUORRHYSA-N 1 0 265.397 3.680 10 0 CHAERO Cc1ccc(O[C@@H](c2cccs2)[C@@H](C)[NH3+])c(C)c1 ZINC000043107873 174973211 /nfs/dbraw/zinc/97/32/11/174973211.db2.gz NCMRLLCNWCZSFL-IUODEOHRSA-N 1 0 261.390 3.832 10 0 CHAERO CCC[C@@H](CCc1sccc1Br)[NH2+]C ZINC000043676193 175088200 /nfs/dbraw/zinc/08/82/00/175088200.db2.gz OKWBPMXNYWKGRO-VIFPVBQESA-N 1 0 276.243 3.831 10 0 CHAERO CC(C)CC[C@H]([NH3+])Cc1ccccc1Br ZINC000043374432 175029746 /nfs/dbraw/zinc/02/97/46/175029746.db2.gz MSMRWIWSXNYVOM-LBPRGKRZSA-N 1 0 270.214 3.755 10 0 CHAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2ccccc2Br)C1 ZINC000043652658 175085365 /nfs/dbraw/zinc/08/53/65/175085365.db2.gz DTWHBNIFPDVPTJ-SCDSUCTJSA-N 1 0 282.225 3.755 10 0 CHAERO C[NH2+][C@@H]1CCCCC[C@H]1Cc1cccc(F)c1F ZINC000043650648 175085494 /nfs/dbraw/zinc/08/54/94/175085494.db2.gz VNZQCFDBUIEOTA-SMDDNHRTSA-N 1 0 253.336 3.676 10 0 CHAERO CC[C@H](Cc1cc(Br)cs1)[C@H](C)[NH2+]C ZINC000043688079 175095387 /nfs/dbraw/zinc/09/53/87/175095387.db2.gz FNVAXVIWGNRADH-DTWKUNHWSA-N 1 0 276.243 3.687 10 0 CHAERO CCCc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000044116270 175141527 /nfs/dbraw/zinc/14/15/27/175141527.db2.gz MSBFLZQOHFBJSC-YOEHRIQHSA-N 1 0 261.409 3.547 10 0 CHAERO CCc1ccc([C@@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000044120663 175142849 /nfs/dbraw/zinc/14/28/49/175142849.db2.gz KZGALZMSXJTWJP-KRWDZBQOSA-N 1 0 261.409 3.547 10 0 CHAERO CCCOc1ccc([C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121857 175143288 /nfs/dbraw/zinc/14/32/88/175143288.db2.gz NEEWLURPUDEZLZ-MPGHIAIKSA-N 1 0 291.435 3.772 10 0 CHAERO CCCC[NH+](CCCC)C[C@@H](O)c1ccccc1OC ZINC000044125921 175144202 /nfs/dbraw/zinc/14/42/02/175144202.db2.gz FHEQWXBRAFQLBZ-MRXNPFEDSA-N 1 0 279.424 3.631 10 0 CHAERO Cc1ccc([C@H](O)C[NH+](CC(C)C)CC(C)C)cc1 ZINC000044162806 175147843 /nfs/dbraw/zinc/14/78/43/175147843.db2.gz IVZNJKUTKGIYSS-QGZVFWFLSA-N 1 0 263.425 3.642 10 0 CHAERO CC(C)([NH2+]C1CCC1)c1ccc(Br)cc1 ZINC000044481601 175179573 /nfs/dbraw/zinc/17/95/73/175179573.db2.gz XMPBISYBMOGVGQ-UHFFFAOYSA-N 1 0 268.198 3.826 10 0 CHAERO CC(C)(C)c1ccc(NC(=O)C2(C[NH3+])CCCCC2)cc1 ZINC000044762098 175246241 /nfs/dbraw/zinc/24/62/41/175246241.db2.gz KPCVLBLQZKVEPC-UHFFFAOYSA-N 1 0 288.435 3.832 10 0 CHAERO Cn1cc(C[NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000045945021 175387330 /nfs/dbraw/zinc/38/73/30/175387330.db2.gz WNKIQGOJLVYDBS-UHFFFAOYSA-N 1 0 268.335 3.607 10 0 CHAERO CC(C)n1cc(C[NH2+]Cc2ccccn2)c2ccccc21 ZINC000045945158 175388029 /nfs/dbraw/zinc/38/80/29/175388029.db2.gz VIHBIBYSDIRQBK-UHFFFAOYSA-N 1 0 279.387 3.907 10 0 CHAERO c1ccc(OCCC[NH2+]Cc2cccc3ccccc32)nc1 ZINC000057353372 175594342 /nfs/dbraw/zinc/59/43/42/175594342.db2.gz DJRMVYQBQLEAIH-UHFFFAOYSA-N 1 0 292.382 3.794 10 0 CHAERO Brc1ccc(CCCC[NH2+]C2CC2)s1 ZINC000070743558 176004510 /nfs/dbraw/zinc/00/45/10/176004510.db2.gz ZYAWLYMZTPJPHO-UHFFFAOYSA-N 1 0 274.227 3.585 10 0 CHAERO CC(C)[NH2+]CCCCc1cc(Br)cs1 ZINC000070743525 176004642 /nfs/dbraw/zinc/00/46/42/176004642.db2.gz ZOVJTBOBPXEYDO-UHFFFAOYSA-N 1 0 276.243 3.831 10 0 CHAERO CC(C)(C)[C@@H]1[NH2+]CCc2c(F)ccc(Br)c21 ZINC000070821346 176007727 /nfs/dbraw/zinc/00/77/27/176007727.db2.gz ZBVQIJKQDVDCPI-GFCCVEGCSA-N 1 0 286.188 3.821 10 0 CHAERO Cc1cc(C)nc(S[C@H](C[NH2+]C(C)(C)C)C(C)C)n1 ZINC000071137951 176036457 /nfs/dbraw/zinc/03/64/57/176036457.db2.gz TULKUSFWHNLLRW-CYBMUJFWSA-N 1 0 281.469 3.598 10 0 CHAERO Brc1ccc2c(c1)C[NH2+][C@H](c1ccccc1)C2 ZINC000071187279 176060531 /nfs/dbraw/zinc/06/05/31/176060531.db2.gz DGBNQVUWSKMOEJ-HNNXBMFYSA-N 1 0 288.188 3.836 10 0 CHAERO C[C@@H](OCc1ccc(F)cc1C[NH3+])c1ccccc1 ZINC000071264190 176097263 /nfs/dbraw/zinc/09/72/63/176097263.db2.gz JIFAIRNNGPMGFG-GFCCVEGCSA-N 1 0 259.324 3.562 10 0 CHAERO CC(C)c1ccc(CNC2=[NH+]C[C@H](C3CC3)S2)cc1 ZINC000071307826 176116020 /nfs/dbraw/zinc/11/60/20/176116020.db2.gz WEQITUQGJHNYAN-OAHLLOKOSA-N 1 0 274.433 3.781 10 0 CHAERO Cc1ccc(OCc2cc(C)cc(C)c2)c(C[NH3+])c1 ZINC000071403199 176154604 /nfs/dbraw/zinc/15/46/04/176154604.db2.gz WMQXWQPOFUGGME-UHFFFAOYSA-N 1 0 255.361 3.650 10 0 CHAERO CCOc1cc(C)c([C@H](C)CCC[NH3+])cc1Cl ZINC000071577212 176205583 /nfs/dbraw/zinc/20/55/83/176205583.db2.gz YYBAMSWSQYLOFZ-SNVBAGLBSA-N 1 0 255.789 3.890 10 0 CHAERO COc1cc(C)c(Cl)cc1[C@H](C)CCCC[NH3+] ZINC000071577196 176205603 /nfs/dbraw/zinc/20/56/03/176205603.db2.gz LWNOWRXESZYLRM-SNVBAGLBSA-N 1 0 255.789 3.890 10 0 CHAERO CCOc1ccc([C@H](CC[NH3+])C(C)C)cc1Cl ZINC000071577222 176205624 /nfs/dbraw/zinc/20/56/24/176205624.db2.gz FVSFBNYXKAIAEQ-GFCCVEGCSA-N 1 0 255.789 3.827 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2c1cccc(F)c1 ZINC000071642242 176239129 /nfs/dbraw/zinc/23/91/29/176239129.db2.gz KJBMAYGQBXZYOK-QGZVFWFLSA-N 1 0 285.362 3.805 10 0 CHAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@H]2c1ccncc1 ZINC000071650240 176240471 /nfs/dbraw/zinc/24/04/71/176240471.db2.gz HZORMXRJBDHPLE-SFHVURJKSA-N 1 0 294.398 3.595 10 0 CHAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@@H]2c1ccncc1 ZINC000071650239 176240725 /nfs/dbraw/zinc/24/07/25/176240725.db2.gz HZORMXRJBDHPLE-GOSISDBHSA-N 1 0 294.398 3.595 10 0 CHAERO C[N@@H+]1C[C@H]2CCC[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072112635 176317584 /nfs/dbraw/zinc/31/75/84/176317584.db2.gz RCJIOMDJRBCHJE-RISCZKNCSA-N 1 0 270.203 3.977 10 0 CHAERO CC[N@H+](CC[C@@H]1NCCc2ccccc21)Cc1ccccc1 ZINC000076565515 177038944 /nfs/dbraw/zinc/03/89/44/177038944.db2.gz BMJIWWJJMXCFCB-FQEVSTJZSA-N 1 0 294.442 3.786 10 0 CHAERO CCCc1ccc([C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000076657610 177046558 /nfs/dbraw/zinc/04/65/58/177046558.db2.gz IMPMUQJPECZGKX-GOSISDBHSA-N 1 0 253.389 3.924 10 0 CHAERO [NH3+]CC[C@H](CCc1ccccc1)c1ccccc1F ZINC000076664652 177050551 /nfs/dbraw/zinc/05/05/51/177050551.db2.gz HJZBYCIXNYMVNV-HNNXBMFYSA-N 1 0 257.352 3.891 10 0 CHAERO Cc1ccc([C@@H](CC[NH3+])CCc2ccco2)c(C)c1 ZINC000076664954 177050699 /nfs/dbraw/zinc/05/06/99/177050699.db2.gz HGJMVOXDEADOLO-OAHLLOKOSA-N 1 0 257.377 3.962 10 0 CHAERO CCOc1cc(C)c([C@@H](CC[NH3+])C2CCC2)cc1C ZINC000076673314 177054576 /nfs/dbraw/zinc/05/45/76/177054576.db2.gz CRVZYJRYNKWJSR-HNNXBMFYSA-N 1 0 261.409 3.935 10 0 CHAERO CCOc1cc(C)c([C@H](CC[NH3+])C2CCC2)cc1C ZINC000076673316 177054874 /nfs/dbraw/zinc/05/48/74/177054874.db2.gz CRVZYJRYNKWJSR-OAHLLOKOSA-N 1 0 261.409 3.935 10 0 CHAERO CC[NH2+][C@@H](C)c1csc(Cc2ccccc2F)n1 ZINC000076784499 177091858 /nfs/dbraw/zinc/09/18/58/177091858.db2.gz DENOUBASGIVTFQ-JTQLQIEISA-N 1 0 264.369 3.544 10 0 CHAERO COc1ccc(Cl)cc1[C@@H]([NH3+])c1c(C)oc(C)c1C ZINC000077088682 177211972 /nfs/dbraw/zinc/21/19/72/177211972.db2.gz PZMAWAYXCPYTPN-OAHLLOKOSA-N 1 0 279.767 3.915 10 0 CHAERO COc1ccc(Cl)cc1[C@H]([NH3+])c1c(C)oc(C)c1C ZINC000077088683 177212234 /nfs/dbraw/zinc/21/22/34/177212234.db2.gz PZMAWAYXCPYTPN-HNNXBMFYSA-N 1 0 279.767 3.915 10 0 CHAERO Cc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c(C)o1 ZINC000037167323 260072079 /nfs/dbraw/zinc/07/20/79/260072079.db2.gz IKVMESVNXYJLGB-HIFRSBDPSA-N 1 0 266.429 3.523 10 0 CHAERO Cc1ccc(C[NH2+][C@H]2COc3ccccc32)c(C)c1 ZINC000070070354 260151627 /nfs/dbraw/zinc/15/16/27/260151627.db2.gz MKPBFYDBYOJNGF-INIZCTEOSA-N 1 0 253.345 3.527 10 0 CHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)o2)cc1 ZINC000081554374 260182710 /nfs/dbraw/zinc/18/27/10/260182710.db2.gz LSGBUWBGPCEEEX-CQSZACIVSA-N 1 0 287.403 3.821 10 0 CHAERO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000088292460 260231347 /nfs/dbraw/zinc/23/13/47/260231347.db2.gz GYFRJTFKVOZKNG-GZBFAFLISA-N 1 0 274.408 3.509 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cncn1C(C)C ZINC000090207640 260239145 /nfs/dbraw/zinc/23/91/45/260239145.db2.gz RJFLDTQARGSSOD-AWEZNQCLSA-N 1 0 257.381 3.623 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000091009837 260264708 /nfs/dbraw/zinc/26/47/08/260264708.db2.gz RFSLXCVYJSUERK-AWEZNQCLSA-N 1 0 260.381 3.602 10 0 CHAERO CCn1cccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000091025180 260265178 /nfs/dbraw/zinc/26/51/78/260265178.db2.gz YXHFDJMZUNURIO-NWDGAFQWSA-N 1 0 274.330 3.719 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000091023834 260265355 /nfs/dbraw/zinc/26/53/55/260265355.db2.gz TZUPNACECOLURW-AWEZNQCLSA-N 1 0 272.392 3.676 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000093248799 260273462 /nfs/dbraw/zinc/27/34/62/260273462.db2.gz SDXRUUULRZDKHN-LJQANCHMSA-N 1 0 281.399 3.853 10 0 CHAERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1cccc(Cl)c1 ZINC000040502210 260285148 /nfs/dbraw/zinc/28/51/48/260285148.db2.gz UYRGJSREFPIZBL-HZPDHXFCSA-N 1 0 280.843 3.865 10 0 CHAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000040517935 260290144 /nfs/dbraw/zinc/29/01/44/260290144.db2.gz PMYADTGSEGIOLC-SMDDNHRTSA-N 1 0 288.416 3.934 10 0 CHAERO CC[C@H]1CC[C@@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000090714319 260387712 /nfs/dbraw/zinc/38/77/12/260387712.db2.gz LNGWFXXEDTXYHS-WMLDXEAASA-N 1 0 268.404 3.946 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000130350850 260395672 /nfs/dbraw/zinc/39/56/72/260395672.db2.gz CWMJAUPWTOYJKO-DJLDLDEBSA-N 1 0 289.242 3.745 10 0 CHAERO CCCC[C@H](CC)CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130311612 260395709 /nfs/dbraw/zinc/39/57/09/260395709.db2.gz NMQAPUWDZLOTNK-ZOBUZTSGSA-N 1 0 290.451 3.655 10 0 CHAERO CC(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000040740358 260471094 /nfs/dbraw/zinc/47/10/94/260471094.db2.gz HUCMMSGEIHYFDG-FFHGMXDLSA-N 1 0 296.455 3.551 10 0 CHAERO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000173779110 261169470 /nfs/dbraw/zinc/16/94/70/261169470.db2.gz KWDFXHRGSIQMFP-DLBZAZTESA-N 1 0 295.430 3.885 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CO)c2ccccc21 ZINC000300413232 261199619 /nfs/dbraw/zinc/19/96/19/261199619.db2.gz ZKJKIRXRGSASJJ-BODMPHMZSA-N 1 0 273.420 3.766 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C1CCN(C)CC1)c1ccccc1 ZINC000175171489 261209898 /nfs/dbraw/zinc/20/98/98/261209898.db2.gz FTCJDZNCVUGWGZ-HXUWFJFHSA-N 1 0 294.442 3.768 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]Cc1ccnn1C)c1ccccc1 ZINC000175173147 261210861 /nfs/dbraw/zinc/21/08/61/261210861.db2.gz LDVZPCCDRIIZGP-LJQANCHMSA-N 1 0 291.398 3.608 10 0 CHAERO CC(C)n1ccnc1CSCCOc1cccc(F)c1 ZINC000175285777 261217849 /nfs/dbraw/zinc/21/78/49/261217849.db2.gz IHIFGYJTWGWNBL-UHFFFAOYSA-N 1 0 294.395 3.915 10 0 CHAERO CC[C@H](C)[C@@H](C)[N@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717588 261315780 /nfs/dbraw/zinc/31/57/80/261315780.db2.gz SLTMPLVZQNRRGM-NWDGAFQWSA-N 1 0 289.379 3.729 10 0 CHAERO CCc1ccc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000163873840 261333004 /nfs/dbraw/zinc/33/30/04/261333004.db2.gz OIVMDLMGKIAXEU-PBHICJAKSA-N 1 0 286.419 3.796 10 0 CHAERO CCC1(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CCC1 ZINC000177486621 261358690 /nfs/dbraw/zinc/35/86/90/261358690.db2.gz OJOJIQIYQZOYDF-CQSZACIVSA-N 1 0 297.402 3.630 10 0 CHAERO CC[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1cccs1 ZINC000111233976 261499885 /nfs/dbraw/zinc/49/98/85/261499885.db2.gz HSSBKMYZFVJKDF-GFCCVEGCSA-N 1 0 285.416 3.876 10 0 CHAERO CC(C)CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000020549341 262249216 /nfs/dbraw/zinc/24/92/16/262249216.db2.gz PZQUGNNDJZIKJZ-YJBOKZPZSA-N 1 0 291.435 3.769 10 0 CHAERO CCC(CC)(CC)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000391183905 262386395 /nfs/dbraw/zinc/38/63/95/262386395.db2.gz VGNKJFCAEPWDAJ-MJBXVCDLSA-N 1 0 253.430 3.606 10 0 CHAERO COc1cc(C[NH2+][C@@H]2CCCc3sccc32)ccc1O ZINC000061330957 262394214 /nfs/dbraw/zinc/39/42/14/262394214.db2.gz XBPMDRDQSFDIKD-CYBMUJFWSA-N 1 0 289.400 3.630 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cscc2C)c1C ZINC000094878018 262475499 /nfs/dbraw/zinc/47/54/99/262475499.db2.gz 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C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560235274 327291824 /nfs/dbraw/zinc/29/18/24/327291824.db2.gz GMGYQFNJSAVPMO-APIJFGDWSA-N 1 0 255.446 3.994 10 0 CHAERO CC(C)COc1cccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000560966734 327355081 /nfs/dbraw/zinc/35/50/81/327355081.db2.gz PNTYBKBMYAEGOR-GJZGRUSLSA-N 1 0 276.424 3.521 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1Br ZINC000052274070 328642116 /nfs/dbraw/zinc/64/21/16/328642116.db2.gz HOZVIOYVUAXIER-PTRXPTGYSA-N 1 0 284.197 3.517 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000300405536 332813890 /nfs/dbraw/zinc/81/38/90/332813890.db2.gz MSYGRQXVIGUDRG-BNOWGMLFSA-N 1 0 263.381 3.543 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cc2c(s1)CCCC2 ZINC000300411567 332814196 /nfs/dbraw/zinc/81/41/96/332814196.db2.gz ODWWJRFHAJGASM-QEJZJMRPSA-N 1 0 293.476 3.829 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H](C(C)C)C2)o1 ZINC000300516073 332821145 /nfs/dbraw/zinc/82/11/45/332821145.db2.gz DNHPELSKSLGVQB-IHRRRGAJSA-N 1 0 250.386 3.848 10 0 CHAERO COc1ccc([C@H](C)C[NH2+]CC2(SC)CCC2)cc1 ZINC000193642755 329060262 /nfs/dbraw/zinc/06/02/62/329060262.db2.gz WNIIHQPZMGLEDU-CYBMUJFWSA-N 1 0 279.449 3.674 10 0 CHAERO C=Cn1cc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000194257610 329077587 /nfs/dbraw/zinc/07/75/87/329077587.db2.gz BNXHKDSOCRRGLL-SNVBAGLBSA-N 1 0 279.746 3.627 10 0 CHAERO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000393641917 329088148 /nfs/dbraw/zinc/08/81/48/329088148.db2.gz XXOGXPUEUDBZLK-RRFJBIMHSA-N 1 0 269.473 3.978 10 0 CHAERO O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCn2ccnc21 ZINC000175918618 329171132 /nfs/dbraw/zinc/17/11/32/329171132.db2.gz SDOUEJVSQVYKHJ-MRXNPFEDSA-N 1 0 291.354 3.552 10 0 CHAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(Cl)s1 ZINC000178354826 329199064 /nfs/dbraw/zinc/19/90/64/329199064.db2.gz YEHLCJAOHLULPM-UAKXVISKSA-N 1 0 293.819 3.710 10 0 CHAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)c1ccc(F)cc1 ZINC000182312121 329241434 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Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccccn3)C2)cc1 ZINC000245956756 329762314 /nfs/dbraw/zinc/76/23/14/329762314.db2.gz UDMMVTPNEUFVIE-SJORKVTESA-N 1 0 295.430 3.710 10 0 CHAERO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000248732326 329898292 /nfs/dbraw/zinc/89/82/92/329898292.db2.gz DHWSWMFBJGWJFT-RYQLBKOJSA-N 1 0 271.404 3.611 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1OC ZINC000248750814 329898659 /nfs/dbraw/zinc/89/86/59/329898659.db2.gz FUNCSXQWQSDWHL-UWWQBHOKSA-N 1 0 289.419 3.694 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc(F)c1F ZINC000248832677 329900286 /nfs/dbraw/zinc/90/02/86/329900286.db2.gz MRPMXLACHBPTOO-ITDIGPHOSA-N 1 0 281.346 3.573 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc2ccccc2n1 ZINC000248859729 329900896 /nfs/dbraw/zinc/90/08/96/329900896.db2.gz PQDYEFYQYMHJNJ-URKNILKWSA-N 1 0 296.414 3.843 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccccc32)C[C@H](C)O1 ZINC000571970546 329934158 /nfs/dbraw/zinc/93/41/58/329934158.db2.gz XAZLVFPCKFLDBP-MMNPAVHPSA-N 1 0 273.420 4.000 10 0 CHAERO CC[C@](C)(O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000087012266 329949674 /nfs/dbraw/zinc/94/96/74/329949674.db2.gz ROBASHUNJCVAJF-OQPBUACISA-N 1 0 294.197 3.944 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CC=CCC2)c1C ZINC000527980202 330298157 /nfs/dbraw/zinc/29/81/57/330298157.db2.gz HCSCSZFVEHWCMT-CJNGLKHVSA-N 1 0 275.440 3.917 10 0 CHAERO COc1ccccc1/C=C/C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000105461278 330326515 /nfs/dbraw/zinc/32/65/15/330326515.db2.gz YPCKUTDFZTWHMV-MRZGDXHCSA-N 1 0 283.371 3.765 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)c2ccccc2)c1C ZINC000045168425 330340581 /nfs/dbraw/zinc/34/05/81/330340581.db2.gz NJECJPGNXLFYAN-UONOGXRCSA-N 1 0 285.435 3.974 10 0 CHAERO CCCn1cc(C[NH2+][C@H](C)c2ccc(CC)cc2)cn1 ZINC000116912109 330361374 /nfs/dbraw/zinc/36/13/74/330361374.db2.gz FNRGANUBEAAIDB-CQSZACIVSA-N 1 0 271.408 3.706 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000212775596 330367337 /nfs/dbraw/zinc/36/73/37/330367337.db2.gz PGXQYKSNDBNKJU-AAEUAGOBSA-N 1 0 284.806 3.614 10 0 CHAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087761804 330374275 /nfs/dbraw/zinc/37/42/75/330374275.db2.gz GRWJELCDVIYBFW-IINYFYTJSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087761801 330374321 /nfs/dbraw/zinc/37/43/21/330374321.db2.gz GRWJELCDVIYBFW-YGRLFVJLSA-N 1 0 287.234 3.695 10 0 CHAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000090037122 330390009 /nfs/dbraw/zinc/39/00/09/330390009.db2.gz DFFWCCJZJUUEOG-CHWSQXEVSA-N 1 0 271.408 3.895 10 0 CHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000090226483 330391648 /nfs/dbraw/zinc/39/16/48/330391648.db2.gz HJHMZLMFDKKHKM-ZNMIVQPWSA-N 1 0 290.455 3.616 10 0 CHAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1cccs1 ZINC000090773346 330395834 /nfs/dbraw/zinc/39/58/34/330395834.db2.gz 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CC(C)C1CCC(C[NH2+]C2CC2)(OCC2CC2)CC1 ZINC000050485594 519564038 /nfs/dbraw/zinc/56/40/38/519564038.db2.gz HJJJZJXGEPYVGB-UHFFFAOYSA-N 1 0 265.441 3.750 10 0 CHAERO CC(C)C[NH2+]CCC[C@H](C)N(CC(F)(F)F)C(C)C ZINC000052502866 519743827 /nfs/dbraw/zinc/74/38/27/519743827.db2.gz GJAAOBQIGWRZBW-ZDUSSCGKSA-N 1 0 282.394 3.673 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049197612 519814866 /nfs/dbraw/zinc/81/48/66/519814866.db2.gz UZERJJHMRXOUJO-QWRGUYRKSA-N 1 0 274.861 3.638 10 0 CHAERO CCCC1CCN([C@@H](c2ccsc2)[C@H](C)[NH3+])CC1 ZINC000050893032 519903444 /nfs/dbraw/zinc/90/34/44/519903444.db2.gz JFVQVPDFYQRLSO-SWLSCSKDSA-N 1 0 266.454 3.649 10 0 CHAERO CCC[NH2+]C[C@H](CCOC(C)C)Cc1ccccc1 ZINC000052952882 519932691 /nfs/dbraw/zinc/93/26/91/519932691.db2.gz LJXWUSDGLZOZGD-QGZVFWFLSA-N 1 0 263.425 3.660 10 0 CHAERO CC[NH2+]C[C@@H](OC(C)(C)C)c1cccc(Cl)c1 ZINC000050484001 519946760 /nfs/dbraw/zinc/94/67/60/519946760.db2.gz LJXKCIJULUHGSD-CYBMUJFWSA-N 1 0 255.789 3.806 10 0 CHAERO CCC[NH2+][C@H](C)c1ccc(OCCCOC)c(Cl)c1 ZINC000061699470 520066083 /nfs/dbraw/zinc/06/60/83/520066083.db2.gz VIIPUIDUYKRMPI-GFCCVEGCSA-N 1 0 285.815 3.816 10 0 CHAERO CCC[NH2+][C@H]1CCC[C@@H]1CCCOCC(F)(F)F ZINC000049312853 520091945 /nfs/dbraw/zinc/09/19/45/520091945.db2.gz IUDBXQSBRUKPPT-NEPJUHHUSA-N 1 0 267.335 3.514 10 0 CHAERO CC[NH2+][C@@H](Cc1nc(C)cs1)c1ccccc1C ZINC000055268596 520108108 /nfs/dbraw/zinc/10/81/08/520108108.db2.gz NBDPTIRQRXBTJD-AWEZNQCLSA-N 1 0 260.406 3.653 10 0 CHAERO CC[C@@H](C)C[C@H](C[NH2+]CCOC)Cc1ccccc1 ZINC000054659721 522026916 /nfs/dbraw/zinc/02/69/16/522026916.db2.gz CCLRBCLPUGSXAX-WBVHZDCISA-N 1 0 263.425 3.518 10 0 CHAERO CC[C@H]([NH3+])[C@@H](c1cccs1)n1nc(C)c(Cl)c1C ZINC000050586320 522341657 /nfs/dbraw/zinc/34/16/57/522341657.db2.gz QQXKNRBGAOMYIC-GWCFXTLKSA-N 1 0 283.828 3.542 10 0 CHAERO C[NH2+][C@@H]1CCC[C@@H]1CCOc1cccc(Br)c1 ZINC000049597071 522388067 /nfs/dbraw/zinc/38/80/67/522388067.db2.gz AJNLEOXDIYQNNN-BXUZGUMPSA-N 1 0 298.224 3.606 10 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522148582 /nfs/dbraw/zinc/14/85/82/522148582.db2.gz HAXOTMWGCFIBJN-UHFFFAOYSA-N 1 0 286.158 3.885 10 0 CHAERO CC[C@@H](C)O[C@H](C[NH2+]C(C)C)c1ccccc1F ZINC000050484790 522255232 /nfs/dbraw/zinc/25/52/32/522255232.db2.gz QTJLPBVVHOFMQS-IUODEOHRSA-N 1 0 253.361 3.680 10 0 CHAERO C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000050518664 522472560 /nfs/dbraw/zinc/47/25/60/522472560.db2.gz AEJFYURPQXQQBS-ZDUSSCGKSA-N 1 0 257.299 3.636 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)cc1)c1ccc(F)c(Cl)c1 ZINC000062792342 522479541 /nfs/dbraw/zinc/47/95/41/522479541.db2.gz XIMKCQYZMBPRLD-OAHLLOKOSA-N 1 0 279.742 3.797 10 0 CHAERO CC[C@@H](C[NH3+])Oc1ccc2ccccc2c1Br ZINC000049834167 522528880 /nfs/dbraw/zinc/52/88/80/522528880.db2.gz MLPKSLNHZVRBNV-NSHDSACASA-N 1 0 294.192 3.718 10 0 CHAERO CC[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccccc1 ZINC000112516939 522839143 /nfs/dbraw/zinc/83/91/43/522839143.db2.gz ZSWLZYLHTOQBEJ-IAGOWNOFSA-N 1 0 294.398 3.853 10 0 CHAERO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cccc(Cl)c1F ZINC000161780895 522844703 /nfs/dbraw/zinc/84/47/03/522844703.db2.gz FDHHMDDSYNHFMQ-CQSZACIVSA-N 1 0 295.789 3.725 10 0 CHAERO COCc1c(C[NH2+]C(C)C)sc2cccc(F)c21 ZINC000052602243 522900688 /nfs/dbraw/zinc/90/06/88/522900688.db2.gz KAPHFRAZTMRKII-UHFFFAOYSA-N 1 0 267.369 3.685 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000049127484 522911627 /nfs/dbraw/zinc/91/16/27/522911627.db2.gz OBXZMYOWTMXHIA-GXTWGEPZSA-N 1 0 295.423 3.798 10 0 CHAERO CC[C@H]1CCCN1c1ccccc1C[NH2+]CC(C)C ZINC000062736577 523110924 /nfs/dbraw/zinc/11/09/24/523110924.db2.gz OTESWWNAEUAWAR-INIZCTEOSA-N 1 0 260.425 3.811 10 0 CHAERO CC[C@@H]1CCCC[C@H]1OCc1cc(C)c(C[NH3+])o1 ZINC000052621887 523227736 /nfs/dbraw/zinc/22/77/36/523227736.db2.gz TZSBUWYSPNCQPP-TZMCWYRMSA-N 1 0 251.370 3.532 10 0 CHAERO CC[C@@H]1CCCC[C@H]1OCc1cc(C[NH2+]C)c(C)o1 ZINC000052621569 523227881 /nfs/dbraw/zinc/22/78/81/523227881.db2.gz VFRUDQGCLSGSPV-CZUORRHYSA-N 1 0 265.397 3.793 10 0 CHAERO CC[C@](C)(C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000054661350 523464689 /nfs/dbraw/zinc/46/46/89/523464689.db2.gz SKXUWIJOVCTHDR-HNNXBMFYSA-N 1 0 253.336 3.676 10 0 CHAERO COc1ccc(Br)cc1C[C@@H]1CCCC[C@H]1[NH3+] ZINC000049597125 523503612 /nfs/dbraw/zinc/50/36/12/523503612.db2.gz BUJACTXGHZGSFG-GXFFZTMASA-N 1 0 298.224 3.518 10 0 CHAERO CC[C@@H]1CSC(NCc2ccccc2C(F)(F)F)=[NH+]1 ZINC000061627318 523519171 /nfs/dbraw/zinc/51/91/71/523519171.db2.gz GXTDIISAPBQCDS-SNVBAGLBSA-N 1 0 288.338 3.676 10 0 CHAERO CC[C@@H]1CSC(N[C@@H](C)c2ccccc2Cl)=[NH+]1 ZINC000049510570 523519228 /nfs/dbraw/zinc/51/92/28/523519228.db2.gz WWDKJIWLIWILJB-VHSXEESVSA-N 1 0 268.813 3.872 10 0 CHAERO CN(c1cccc(Cl)c1C(N)=[NH2+])C1CCCCCC1 ZINC000052905136 523645106 /nfs/dbraw/zinc/64/51/06/523645106.db2.gz JMXKYFTZUIYCTC-UHFFFAOYSA-N 1 0 279.815 3.783 10 0 CHAERO CN(c1ccccc1F)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052906167 523657469 /nfs/dbraw/zinc/65/74/69/523657469.db2.gz HBNDUFVFJXSRRI-UHFFFAOYSA-N 1 0 277.730 3.531 10 0 CHAERO COc1ccc(C)cc1C[C@@H]([NH3+])c1cccc(C)c1 ZINC000050706604 523813960 /nfs/dbraw/zinc/81/39/60/523813960.db2.gz BETSWSAOWRSEAJ-MRXNPFEDSA-N 1 0 255.361 3.555 10 0 CHAERO COCC[NH2+]C[C@H](Cc1ccc(Cl)cc1)CC(C)C ZINC000054662148 523943825 /nfs/dbraw/zinc/94/38/25/523943825.db2.gz ASBDRFGTNOSTPL-HNNXBMFYSA-N 1 0 283.843 3.781 10 0 CHAERO CCc1ccc(C[C@H]([NH3+])c2ccc(F)c(F)c2)s1 ZINC000053817340 523951459 /nfs/dbraw/zinc/95/14/59/523951459.db2.gz CLHKJRUYCQNPAA-AWEZNQCLSA-N 1 0 267.344 3.831 10 0 CHAERO CC[C@H](C)[NH2+]CCn1cc(Br)c2ccccc21 ZINC000055310793 524003276 /nfs/dbraw/zinc/00/32/76/524003276.db2.gz ADPUXBGYSHOZAQ-NSHDSACASA-N 1 0 295.224 3.792 10 0 CHAERO CCc1ccc([C@H]2CC[NH2+][C@H]2Cc2ccccc2)o1 ZINC000054686911 524056051 /nfs/dbraw/zinc/05/60/51/524056051.db2.gz AYRPIPJOGFGQQV-HOTGVXAUSA-N 1 0 255.361 3.530 10 0 CHAERO C[C@H]1CCC[C@H](N(C)c2cc(Cl)ccc2C[NH3+])C1 ZINC000062786920 524201606 /nfs/dbraw/zinc/20/16/06/524201606.db2.gz FDDILKLMXSRMBB-FZMZJTMJSA-N 1 0 266.816 3.814 10 0 CHAERO Cc1cc(C)c(-c2csc(C[NH2+]C3CC3)n2)cc1C ZINC000055265530 524212241 /nfs/dbraw/zinc/21/22/41/524212241.db2.gz NRJHQBLXFFLOTJ-UHFFFAOYSA-N 1 0 272.417 3.987 10 0 CHAERO C[C@@H]1CCCN(c2ncc(C[NH2+]C(C)(C)C)s2)[C@@H]1C ZINC000054905229 524250105 /nfs/dbraw/zinc/25/01/05/524250105.db2.gz DZYJIXNTUTYBPX-VXGBXAGGSA-N 1 0 281.469 3.656 10 0 CHAERO C[C@@H]1CCC[C@@]([NH3+])(Cc2c(F)cccc2Cl)C1 ZINC000049346418 524340499 /nfs/dbraw/zinc/34/04/99/524340499.db2.gz NAUPBKJRNJRIDC-YGRLFVJLSA-N 1 0 255.764 3.929 10 0 CHAERO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)Cc1ccccc1 ZINC000062169741 524547653 /nfs/dbraw/zinc/54/76/53/524547653.db2.gz GTHYXPNEHIDWRS-GJZGRUSLSA-N 1 0 257.377 3.822 10 0 CHAERO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000157538984 524554493 /nfs/dbraw/zinc/55/44/93/524554493.db2.gz IWAWZSRNIWWRDV-QWRGUYRKSA-N 1 0 283.828 3.727 10 0 CHAERO C[C@H]1CN(CCCc2ccccc2)c2ccccc2C[NH2+]1 ZINC000062671260 524593283 /nfs/dbraw/zinc/59/32/83/524593283.db2.gz YRGKXWNHMMGTPA-INIZCTEOSA-N 1 0 280.415 3.618 10 0 CHAERO C[C@H](Cc1c(F)cccc1F)[NH2+]CCC(C)(C)C ZINC000061839545 524687578 /nfs/dbraw/zinc/68/75/78/524687578.db2.gz JXXBCCSRFDXDOG-LLVKDONJSA-N 1 0 255.352 3.922 10 0 CHAERO Cc1cc(C[NH2+][C@H](C)c2ccccc2C)c(C)n1C ZINC000052789691 524776333 /nfs/dbraw/zinc/77/63/33/524776333.db2.gz DLIFFTZIXFUVHT-CQSZACIVSA-N 1 0 256.393 3.801 10 0 CHAERO Cc1cc(C[NH2+][C@H](C)c2sc(C)nc2C)c(C)n1C ZINC000052790414 524777904 /nfs/dbraw/zinc/77/79/04/524777904.db2.gz ATKVJIQJUMKTDV-SNVBAGLBSA-N 1 0 277.437 3.566 10 0 CHAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC(C)(C)CC1 ZINC000061818389 524838708 /nfs/dbraw/zinc/83/87/08/524838708.db2.gz PEXMZMCYUZVCQE-WFASDCNBSA-N 1 0 280.843 3.850 10 0 CHAERO Cc1ccc(N(C)CCC[NH2+]C2CCCCC2)cc1 ZINC000053499632 524885721 /nfs/dbraw/zinc/88/57/21/524885721.db2.gz CMHIWEKHDYERQY-UHFFFAOYSA-N 1 0 260.425 3.744 10 0 CHAERO Cc1ccc(N(C)CCC[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000050954198 524887185 /nfs/dbraw/zinc/88/71/85/524887185.db2.gz OOHNEWMDARPZAO-INIZCTEOSA-N 1 0 260.425 3.662 10 0 CHAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC(C)(C)CC1 ZINC000061818390 525006886 /nfs/dbraw/zinc/00/68/86/525006886.db2.gz PEXMZMCYUZVCQE-DOMZBBRYSA-N 1 0 280.843 3.850 10 0 CHAERO C[C@@H]1CN(Cc2ccccc2Cl)c2ccccc2C[NH2+]1 ZINC000062673116 525016319 /nfs/dbraw/zinc/01/63/19/525016319.db2.gz JTNWNHZOAOCTHM-CYBMUJFWSA-N 1 0 286.806 3.838 10 0 CHAERO Cc1cc(N)c[nH+]c1N[C@@H](C)c1cccc(Cl)c1 ZINC000052813163 525041770 /nfs/dbraw/zinc/04/17/70/525041770.db2.gz FKYQZKBJNGTCOI-JTQLQIEISA-N 1 0 261.756 3.799 10 0 CHAERO Cc1ccccc1CS[C@H](CC[NH3+])C(F)(F)F ZINC000054964299 525186400 /nfs/dbraw/zinc/18/64/00/525186400.db2.gz BZROTPHOHWBITQ-LLVKDONJSA-N 1 0 263.328 3.508 10 0 CHAERO COc1ccc([C@@H]([NH3+])C2CCC(C)CC2)c(OC)c1 ZINC000055232958 525189890 /nfs/dbraw/zinc/18/98/90/525189890.db2.gz UDYQSJCJQYSSMO-PPUFBPAQSA-N 1 0 263.381 3.530 10 0 CHAERO Cc1ccccc1N(C)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054897519 525217596 /nfs/dbraw/zinc/21/75/96/525217596.db2.gz QMXOKHNQZNWCPX-LLVKDONJSA-N 1 0 273.405 3.556 10 0 CHAERO C[C@H](NC1=[NH+]C(C)(C)CS1)c1cccc(Cl)c1 ZINC000049526524 525284558 /nfs/dbraw/zinc/28/45/58/525284558.db2.gz PAYKCRDLTLYWQY-VIFPVBQESA-N 1 0 268.813 3.872 10 0 CHAERO C[C@H](NC1=[NH+]C(C)(C)CS1)c1ccccc1Cl ZINC000049510578 525285891 /nfs/dbraw/zinc/28/58/91/525285891.db2.gz AHHABBYIDKPDKA-VIFPVBQESA-N 1 0 268.813 3.872 10 0 CHAERO Cc1ccc(N[C@@H](C[NH3+])c2ccccc2)cc1Cl ZINC000057547694 525311837 /nfs/dbraw/zinc/31/18/37/525311837.db2.gz HIKYOFGOCDWPMQ-HNNXBMFYSA-N 1 0 260.768 3.760 10 0 CHAERO C[C@]1(c2ccccc2C(F)(F)F)C[C@H]1C[NH2+]C1CC1 ZINC000054596456 525333223 /nfs/dbraw/zinc/33/32/23/525333223.db2.gz RNRGBBBSFWHQAL-HZMBPMFUSA-N 1 0 269.310 3.735 10 0 CHAERO Cc1ccc(OCCC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000052765250 525413591 /nfs/dbraw/zinc/41/35/91/525413591.db2.gz NGOYTHWGFVUMLO-LBPRGKRZSA-N 1 0 298.224 3.669 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000286820678 525419338 /nfs/dbraw/zinc/41/93/38/525419338.db2.gz CESRRBVELAQYBO-OBJOEFQTSA-N 1 0 287.325 3.756 10 0 CHAERO Cc1cc([C@@H](C)NC2=[NH+]C(C)(C)CS2)c(C)s1 ZINC000049510485 525460518 /nfs/dbraw/zinc/46/05/18/525460518.db2.gz JMAFJYMCVVTBPX-SECBINFHSA-N 1 0 268.451 3.897 10 0 CHAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000037235480 525601269 /nfs/dbraw/zinc/60/12/69/525601269.db2.gz ZPKWTEOTKGXZPY-AAEUAGOBSA-N 1 0 286.400 3.507 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccncc1 ZINC000156721102 525611585 /nfs/dbraw/zinc/61/15/85/525611585.db2.gz SHHPBHCSTPTKMG-CABCVRRESA-N 1 0 292.386 3.679 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000037235478 525631514 /nfs/dbraw/zinc/63/15/14/525631514.db2.gz ZPKWTEOTKGXZPY-DGCLKSJQSA-N 1 0 286.400 3.507 10 0 CHAERO C[C@H](Nc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000051692379 525671763 /nfs/dbraw/zinc/67/17/63/525671763.db2.gz SACVIDMDDXDPRX-QWRGUYRKSA-N 1 0 272.314 3.505 10 0 CHAERO COc1cccc(-c2nc(C)c(C[NH2+]CC(C)C)s2)c1 ZINC000052331269 525722954 /nfs/dbraw/zinc/72/29/54/525722954.db2.gz DQHMOEQKQAYQQF-UHFFFAOYSA-N 1 0 290.432 3.873 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]CC2=Cc3ccccc3OC2)o1 ZINC000102419975 525724334 /nfs/dbraw/zinc/72/43/34/525724334.db2.gz ZMVUPVLDZSBRPD-CYBMUJFWSA-N 1 0 269.344 3.715 10 0 CHAERO Cc1ccsc1[C@H]([NH3+])c1cccc(OC(C)C)c1 ZINC000061666333 525891498 /nfs/dbraw/zinc/89/14/98/525891498.db2.gz GYKJFLFLBDQETH-CQSZACIVSA-N 1 0 261.390 3.892 10 0 CHAERO Cc1ccc([C@H]([NH3+])CCOc2ccccc2)cc1C ZINC000053303777 525962264 /nfs/dbraw/zinc/96/22/64/525962264.db2.gz PDJIELHTKFOWEV-QGZVFWFLSA-N 1 0 255.361 3.772 10 0 CHAERO Cc1ccc([C@H](Sc2nc(C)cc(C)n2)[C@H](C)[NH3+])s1 ZINC000051607167 525978664 /nfs/dbraw/zinc/97/86/64/525978664.db2.gz DLCXWVOMWBEQLU-WCQYABFASA-N 1 0 293.461 3.644 10 0 CHAERO Cc1ccc([C@](C)([NH3+])c2ccc(F)cc2C)cc1C ZINC000055198675 526049355 /nfs/dbraw/zinc/04/93/55/526049355.db2.gz LHUBOUWNXCULEF-KRWDZBQOSA-N 1 0 257.352 3.973 10 0 CHAERO Cc1ccc([C@](C)([NH3+])c2cc(F)ccc2F)cc1C ZINC000055242837 526049688 /nfs/dbraw/zinc/04/96/88/526049688.db2.gz QHNAJOMKLJXEFT-INIZCTEOSA-N 1 0 261.315 3.804 10 0 CHAERO C[C@@H](c1cccc(Cl)c1)N(C)c1cc(N)cc[nH+]1 ZINC000062014037 526070391 /nfs/dbraw/zinc/07/03/91/526070391.db2.gz NXVURILQVPNFMC-JTQLQIEISA-N 1 0 261.756 3.515 10 0 CHAERO Cc1nn(CCCCC[NH2+]C(C)(C)C)c(C)c1Cl ZINC000052573946 526279693 /nfs/dbraw/zinc/27/96/93/526279693.db2.gz ATOQLGJVEYRESO-UHFFFAOYSA-N 1 0 271.836 3.712 10 0 CHAERO Fc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1F ZINC000157001817 526384841 /nfs/dbraw/zinc/38/48/41/526384841.db2.gz VYFJAQZBUSTJDA-LBPRGKRZSA-N 1 0 294.370 3.801 10 0 CHAERO [NH2+]=C1CCCCN1CCc1ccc(Cl)cc1Cl ZINC000049584006 526838867 /nfs/dbraw/zinc/83/88/67/526838867.db2.gz CQGOYOXBIQZJLQ-UHFFFAOYSA-N 1 0 271.191 3.999 10 0 CHAERO [NH2+]=C1CCCCN1c1ccc(OC(F)(F)F)cc1 ZINC000049583882 526840147 /nfs/dbraw/zinc/84/01/47/526840147.db2.gz WROVADRKZQSFNY-UHFFFAOYSA-N 1 0 258.243 3.553 10 0 CHAERO Cc1nc(Cc2ccccc2)sc1C[NH2+]C(C)C ZINC000052330652 526927379 /nfs/dbraw/zinc/92/73/79/526927379.db2.gz OECKQYFDRRXOFF-UHFFFAOYSA-N 1 0 260.406 3.540 10 0 CHAERO Cc1nc(N(C)CC(C)(C)C)sc1C[NH2+]C(C)(C)C ZINC000055001242 526950549 /nfs/dbraw/zinc/95/05/49/526950549.db2.gz UMCXFIOOIWXTAU-UHFFFAOYSA-N 1 0 283.485 3.822 10 0 CHAERO Clc1ccc(N2CC[C@@H](C[NH2+]C3CC3)C2)cc1Cl ZINC000053010469 526956354 /nfs/dbraw/zinc/95/63/54/526956354.db2.gz OYCZXXHNVJXTRU-JTQLQIEISA-N 1 0 285.218 3.572 10 0 CHAERO Clc1ccc(Oc2ccnc(C[NH2+]C3CC3)c2)cc1 ZINC000051547429 526959092 /nfs/dbraw/zinc/95/90/92/526959092.db2.gz VBTROKBDPJGBSN-UHFFFAOYSA-N 1 0 274.751 3.779 10 0 CHAERO [NH3+]C1(c2noc(-c3cc(Cl)ccc3F)n2)CCCCC1 ZINC000041153616 527132815 /nfs/dbraw/zinc/13/28/15/527132815.db2.gz ULGOUUPZXRSYED-UHFFFAOYSA-N 1 0 295.745 3.647 10 0 CHAERO Cc1[nH+]c2ccc(OC(F)F)cc2c(N)c1C(C)C ZINC000061687770 527148745 /nfs/dbraw/zinc/14/87/45/527148745.db2.gz IHQLFBUVXWIVHM-UHFFFAOYSA-N 1 0 266.291 3.850 10 0 CHAERO [NH3+]Cc1ccc(Cl)cc1N(Cc1ccco1)C1CC1 ZINC000062786994 527253306 /nfs/dbraw/zinc/25/33/06/527253306.db2.gz YCTCPYQZQSLIQL-UHFFFAOYSA-N 1 0 276.767 3.561 10 0 CHAERO [NH3+][C@H](CCOc1cccc(Br)c1)C1CCCC1 ZINC000049599791 527385712 /nfs/dbraw/zinc/38/57/12/527385712.db2.gz FOWNMDYDNCXSDI-CQSZACIVSA-N 1 0 298.224 3.736 10 0 CHAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1cccc(Cl)c1Cl ZINC000054686380 527389567 /nfs/dbraw/zinc/38/95/67/527389567.db2.gz PITLUGLKMYYGRX-HIFRSBDPSA-N 1 0 296.197 3.597 10 0 CHAERO [NH3+][C@H]1CCCCC[C@H]1N1CCC2(CCCCC2)CC1 ZINC000061819362 527394885 /nfs/dbraw/zinc/39/48/85/527394885.db2.gz SRCVSCIMBSRHKP-JKSUJKDBSA-N 1 0 264.457 3.693 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1cc(Cl)cc(Cl)c1 ZINC000083536475 535825171 /nfs/dbraw/zinc/82/51/71/535825171.db2.gz BUGLIRGLVDAYFO-JOYOIKCWSA-N 1 0 273.207 3.570 10 0 CHAERO Cc1ccc(C[N@@H+](C[C@H](O)c2ccccc2)C(C)C)cc1 ZINC000036101781 566995038 /nfs/dbraw/zinc/99/50/38/566995038.db2.gz DILINDYXOZJZJE-IBGZPJMESA-N 1 0 283.415 3.939 10 0 CHAERO CCC[n+]1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000226773864 567040984 /nfs/dbraw/zinc/04/09/84/567040984.db2.gz VDENYZPOIPGHGK-UHFFFAOYSA-O 1 0 272.759 3.581 10 0 CHAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952311 567209323 /nfs/dbraw/zinc/20/93/23/567209323.db2.gz FJDBTJOYDJZVCO-HUUCEWRRSA-N 1 0 296.455 3.508 10 0 CHAERO C[C@H]1[C@@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000013468188 567866460 /nfs/dbraw/zinc/86/64/60/567866460.db2.gz FAHFBUDMUKEFDS-QZHFEQFPSA-N 1 0 281.399 3.802 10 0 CHAERO CC(C)[NH2+]Cc1cc(Br)ccc1OC(C)C ZINC000034659978 567888617 /nfs/dbraw/zinc/88/86/17/567888617.db2.gz RTTWGDLQHDNFRB-UHFFFAOYSA-N 1 0 286.213 3.734 10 0 CHAERO Cc1noc(C)c1C[NH2+]CCC1CCC(C)CC1 ZINC000070538446 567888630 /nfs/dbraw/zinc/88/86/30/567888630.db2.gz QDEBYOJANANJOA-UHFFFAOYSA-N 1 0 250.386 3.597 10 0 CHAERO C[NH2+]Cc1ccc2ccccc2c1NC(=O)OC(C)(C)C ZINC000725246216 567908178 /nfs/dbraw/zinc/90/81/78/567908178.db2.gz RYFDQQNYURMPBP-UHFFFAOYSA-N 1 0 286.375 3.906 10 0 CHAERO COCCC1(CC[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000725266908 567923801 /nfs/dbraw/zinc/92/38/01/567923801.db2.gz MFIDTUWWKLRFAG-OAHLLOKOSA-N 1 0 261.409 3.934 10 0 CHAERO CCCC[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725269647 567924425 /nfs/dbraw/zinc/92/44/25/567924425.db2.gz BSQSQEOMHOQFOM-UHFFFAOYSA-N 1 0 266.694 3.644 10 0 CHAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(N)ccc1Br ZINC000128346498 567929288 /nfs/dbraw/zinc/92/92/88/567929288.db2.gz ZOFMEQCFXWRAIX-GHMZBOCLSA-N 1 0 297.240 3.794 10 0 CHAERO c1ccc(CC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000010436549 567939637 /nfs/dbraw/zinc/93/96/37/567939637.db2.gz NQJSHZOBPVGGNR-UHFFFAOYSA-N 1 0 255.405 3.788 10 0 CHAERO C[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000019777220 567944734 /nfs/dbraw/zinc/94/47/34/567944734.db2.gz ASTICENOLFALIL-UHFFFAOYSA-N 1 0 279.742 3.778 10 0 CHAERO CC1CCC(CC[NH2+]Cc2ccc(O)cc2F)CC1 ZINC000404219473 570237508 /nfs/dbraw/zinc/23/75/08/570237508.db2.gz JSOGWLLAVPFILH-UHFFFAOYSA-N 1 0 265.372 3.837 10 0 CHAERO CCc1nc(C)c(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)[nH]1 ZINC000055281121 570242073 /nfs/dbraw/zinc/24/20/73/570242073.db2.gz JFPPOPGTJMUVDE-AWEZNQCLSA-N 1 0 289.423 3.920 10 0 CHAERO CC1(C)C[N@H+](C/C=C\Cl)CC[C@H]1C(F)(F)F ZINC000588588045 1119480496 /nfs/dbraw/zinc/48/04/96/1119480496.db2.gz PQKHRLSIRGGILF-AZVKUDOFSA-N 1 0 255.711 3.649 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc(Cl)c1Cl ZINC000376066421 1120017299 /nfs/dbraw/zinc/01/72/99/1120017299.db2.gz JUAMSZXSYVKCDG-PDEGPIFNSA-N 1 0 286.202 3.536 10 0 CHAERO C[N@H+](CCC1CCCCC1)Cc1nc(-c2ccoc2)no1 ZINC000105609048 1120084392 /nfs/dbraw/zinc/08/43/92/1120084392.db2.gz QMGHQWUNECXYQJ-UHFFFAOYSA-N 1 0 289.379 3.732 10 0 CHAERO Clc1ncccc1C[N@@H+]1CCCC12CCCC2 ZINC000310396822 1120450580 /nfs/dbraw/zinc/45/05/80/1120450580.db2.gz JVSDPQYKCOUARX-UHFFFAOYSA-N 1 0 250.773 3.644 10 0 CHAERO COc1c(C)cc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1C ZINC000105461039 1123051974 /nfs/dbraw/zinc/05/19/74/1123051974.db2.gz YZRIBQUZALQOCV-AWEZNQCLSA-N 1 0 285.387 3.868 10 0 CHAERO CC(C)=CC[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000192314648 1125332265 /nfs/dbraw/zinc/33/22/65/1125332265.db2.gz DGYQDCXXYVLNQP-INIZCTEOSA-N 1 0 272.436 3.768 10 0 CHAERO CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CC(C)C)C[NH2+]1 ZINC000095642336 185017217 /nfs/dbraw/zinc/01/72/17/185017217.db2.gz NBBAXAIIMROXQY-HUUCEWRRSA-N 1 0 298.471 3.656 10 0 CHAERO CCCc1nc(-c2cccc(C)c2)sc1C[NH2+]C ZINC000082427155 178003190 /nfs/dbraw/zinc/00/31/90/178003190.db2.gz CQMDQWQWASRXHW-UHFFFAOYSA-N 1 0 260.406 3.790 10 0 CHAERO CCCc1nc(-c2ccccc2OC)sc1C[NH2+]CC ZINC000082428330 178004242 /nfs/dbraw/zinc/00/42/42/178004242.db2.gz RSWDRWKXKRODKA-UHFFFAOYSA-N 1 0 290.432 3.881 10 0 CHAERO CCCc1nc(-c2ccc(OC)cc2)sc1C[NH2+]CC ZINC000082428394 178004271 /nfs/dbraw/zinc/00/42/71/178004271.db2.gz LKLNKAQILIIDEG-UHFFFAOYSA-N 1 0 290.432 3.881 10 0 CHAERO CC(C)c1nc(N2CCC[C@@H](C)C2)sc1C[NH2+]C1CC1 ZINC000082434828 178012199 /nfs/dbraw/zinc/01/21/99/178012199.db2.gz LHANSJLQNZQMOO-GFCCVEGCSA-N 1 0 293.480 3.755 10 0 CHAERO C[NH2+]Cc1sc(CCc2ccccc2)nc1C1CC1 ZINC000082438269 178016355 /nfs/dbraw/zinc/01/63/55/178016355.db2.gz KUBXRGLBVWAEKA-UHFFFAOYSA-N 1 0 272.417 3.525 10 0 CHAERO CC(C)(C)c1nc(-c2c(F)cccc2F)sc1C[NH3+] ZINC000082439325 178017566 /nfs/dbraw/zinc/01/75/66/178017566.db2.gz IVNQEGBKAWQLKN-UHFFFAOYSA-N 1 0 282.359 3.845 10 0 CHAERO CC[NH2+][C@H]1CC(CC)(CC)Oc2cc(OC)ccc21 ZINC000082508431 178073970 /nfs/dbraw/zinc/07/39/70/178073970.db2.gz IMVONUDJTJPRSP-AWEZNQCLSA-N 1 0 263.381 3.687 10 0 CHAERO COc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1 ZINC000082503077 178066624 /nfs/dbraw/zinc/06/66/24/178066624.db2.gz TYFDEYAZTRCRQZ-KRWDZBQOSA-N 1 0 283.371 3.617 10 0 CHAERO [NH3+]Cc1cscc1-c1ccc(Br)cc1 ZINC000082574189 178114383 /nfs/dbraw/zinc/11/43/83/178114383.db2.gz NLPFRPHFNGZHLI-UHFFFAOYSA-N 1 0 268.179 3.636 10 0 CHAERO Cc1cccc(C[NH2+]CCCSC(F)(F)F)c1 ZINC000095918324 185031062 /nfs/dbraw/zinc/03/10/62/185031062.db2.gz BWVHXAZNIFPOMO-UHFFFAOYSA-N 1 0 263.328 3.728 10 0 CHAERO C[C@H]([NH3+])c1ccc(F)c(-c2cnn(-c3ccccc3)c2)c1 ZINC000082708352 178218066 /nfs/dbraw/zinc/21/80/66/178218066.db2.gz XFYZVOOTCTWZHL-LBPRGKRZSA-N 1 0 281.334 3.698 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccccc2OC)c1 ZINC000082709751 178219962 /nfs/dbraw/zinc/21/99/62/178219962.db2.gz FPPYWECZMKKLGL-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO Clc1ccccc1-c1cnc(C[NH2+]C2CC2)s1 ZINC000083239980 178366688 /nfs/dbraw/zinc/36/66/88/178366688.db2.gz RKJPKOTVIUMLPA-UHFFFAOYSA-N 1 0 264.781 3.716 10 0 CHAERO CCCC1CCC(c2nc(CC[NH3+])cs2)CC1 ZINC000083393738 178402274 /nfs/dbraw/zinc/40/22/74/178402274.db2.gz MHELQPZFJGDYEO-UHFFFAOYSA-N 1 0 252.427 3.718 10 0 CHAERO CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000096747942 185111301 /nfs/dbraw/zinc/11/13/01/185111301.db2.gz GRBOJZGPSPHANX-OWCLPIDISA-N 1 0 256.478 3.767 10 0 CHAERO COc1cc(CC(C)C)c(OC)c2c1C(C)(C)C[NH2+][C@@H]2C ZINC000096889027 185123983 /nfs/dbraw/zinc/12/39/83/185123983.db2.gz PRDZQBPZMSSKDM-GFCCVEGCSA-N 1 0 291.435 3.844 10 0 CHAERO C[NH2+][C@H](C(=O)c1ccc(SC(C)C)cc1)C(C)C ZINC000096891008 185124726 /nfs/dbraw/zinc/12/47/26/185124726.db2.gz MXZNSKUSOHWQFY-AWEZNQCLSA-N 1 0 265.422 3.614 10 0 CHAERO C[NH2+]C[C@@H](OC)c1ccc(SC2CCCC2)cc1 ZINC000096890997 185125059 /nfs/dbraw/zinc/12/50/59/185125059.db2.gz USNVRHZLSWFZFC-OAHLLOKOSA-N 1 0 265.422 3.628 10 0 CHAERO Cc1cc(OCC[NH2+]CCC(C)C)cc(C)c1Cl ZINC000083516346 178549143 /nfs/dbraw/zinc/54/91/43/178549143.db2.gz IWKONGJFTJEZJO-UHFFFAOYSA-N 1 0 269.816 3.971 10 0 CHAERO CCn1c(C)[nH+]c(-c2ccc(Cl)c(Cl)c2)c1N ZINC000103499705 185845264 /nfs/dbraw/zinc/84/52/64/185845264.db2.gz DRIFJQFUNMRODY-UHFFFAOYSA-N 1 0 270.163 3.767 10 0 CHAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1Oc1ccccc1CC ZINC000103969443 185871005 /nfs/dbraw/zinc/87/10/05/185871005.db2.gz FHUQYYZTUXYKMX-QRTARXTBSA-N 1 0 261.409 3.795 10 0 CHAERO C[C@@H]1CC(C)(C)C[C@](CN)([NH+]2CCC(C)(C)CC2)C1 ZINC000103974000 185872135 /nfs/dbraw/zinc/87/21/35/185872135.db2.gz SKMDCNQRWFPLMJ-RHSMWYFYSA-N 1 0 266.473 3.652 10 0 CHAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1N(C)CCC(C)C ZINC000104278421 185953191 /nfs/dbraw/zinc/95/31/91/185953191.db2.gz JPOAQAWRAJJGQX-OAHLLOKOSA-N 1 0 266.404 3.588 10 0 CHAERO [NH3+]CCc1ccc(Oc2cccc(Cl)c2)c(F)c1 ZINC000104285564 185954886 /nfs/dbraw/zinc/95/48/86/185954886.db2.gz VGTASBBLKGVOBQ-UHFFFAOYSA-N 1 0 265.715 3.773 10 0 CHAERO [NH3+]Cc1c(Sc2ccccc2Cl)nc2sccn21 ZINC000104289683 185956276 /nfs/dbraw/zinc/95/62/76/185956276.db2.gz GPHYQWOJPDVRHD-UHFFFAOYSA-N 1 0 295.820 3.659 10 0 CHAERO Cc1cc(Sc2ccc(F)cc2)ccc1CC[NH3+] ZINC000104294992 185957271 /nfs/dbraw/zinc/95/72/71/185957271.db2.gz ITTWHGSIGNLGRY-UHFFFAOYSA-N 1 0 261.365 3.787 10 0 CHAERO CC[C@@H]1CCCC[C@H]1Oc1ccccc1C[C@@H](C)[NH3+] ZINC000104381677 185987211 /nfs/dbraw/zinc/98/72/11/185987211.db2.gz BHWGSDVSWXOSOP-IIAWOOMASA-N 1 0 261.409 3.924 10 0 CHAERO c1ccc2sc(OCCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092553 184942259 /nfs/dbraw/zinc/94/22/59/184942259.db2.gz WHMVEPYASLYGGI-GFCCVEGCSA-N 1 0 276.405 3.597 10 0 CHAERO Cc1cc(C)c(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c(C)c1 ZINC000171410419 335065070 /nfs/dbraw/zinc/06/50/70/335065070.db2.gz JETSYSFWLZZQCC-SFHVURJKSA-N 1 0 283.419 3.682 10 0 CHAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N1CCCc2ccccc21 ZINC000043102460 134898527 /nfs/dbraw/zinc/89/85/27/134898527.db2.gz BEJNVSRBWDVSPS-WBMJQRKESA-N 1 0 272.417 3.589 10 0 CHAERO CC(C)c1ccccc1N1C[C@@H](C(C)C)[NH2+]C[C@@H]1C ZINC000083441487 135021420 /nfs/dbraw/zinc/02/14/20/135021420.db2.gz MMWCJOJHSPUQFC-HOCLYGCPSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(C)cc1C ZINC000083441705 135021932 /nfs/dbraw/zinc/02/19/32/135021932.db2.gz MIYBSKYDJFWRBO-HOTGVXAUSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@@H]1CN(c2cccc3ccccc32)[C@@H](CC)C[NH2+]1 ZINC000083511076 135025112 /nfs/dbraw/zinc/02/51/12/135025112.db2.gz DQKHPXQQGDYQBZ-CVEARBPZSA-N 1 0 268.404 3.807 10 0 CHAERO CCCCc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083541851 135028261 /nfs/dbraw/zinc/02/82/61/135028261.db2.gz BTQBVPJOEJVTAM-MAUKXSAKSA-N 1 0 274.452 3.852 10 0 CHAERO Cc1cc(F)ccc1N1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000083587401 135030183 /nfs/dbraw/zinc/03/01/83/135030183.db2.gz PTOWSSWBRQRCGO-DOTOQJQBSA-N 1 0 278.415 3.593 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Oc1cccc(F)c1F)c1ccsc1 ZINC000062612057 522651849 /nfs/dbraw/zinc/65/18/49/522651849.db2.gz ZCYDTFKEYBXYQE-BXUZGUMPSA-N 1 0 283.343 3.884 10 0 CHAERO Cc1ccc([C@H](c2ccccc2)[n+]2ccccc2)cc1 ZINC000005416736 170096483 /nfs/dbraw/zinc/09/64/83/170096483.db2.gz ABTKSEOWTLXUFY-IBGZPJMESA-N 1 0 260.360 3.920 10 0 CHAERO C[NH2+]Cc1ccccc1Sc1ccccc1OC ZINC000005525978 170108498 /nfs/dbraw/zinc/10/84/98/170108498.db2.gz YLQNDHNDAITYDQ-UHFFFAOYSA-N 1 0 259.374 3.566 10 0 CHAERO Cc1ccc([C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000005617833 170120658 /nfs/dbraw/zinc/12/06/58/170120658.db2.gz UFUZUKRLAOEYBT-SFHVURJKSA-N 1 0 251.373 3.985 10 0 CHAERO C[NH+](C)C[C@@H](c1ccccc1Cl)C1(O)CCCCC1 ZINC000005958016 170162526 /nfs/dbraw/zinc/16/25/26/170162526.db2.gz OVSAXOVRTVDPOU-AWEZNQCLSA-N 1 0 281.827 3.680 10 0 in-vitro CHAERO O[C@]1(c2cccc(C(F)(F)F)c2)CC[N@@H+]2CCCC[C@@H]2C1 ZINC000006092339 170174956 /nfs/dbraw/zinc/17/49/56/170174956.db2.gz OABKVAHOXRFSNU-HUUCEWRRSA-N 1 0 299.336 3.541 10 0 CHAERO O=C(C[C@H]1CCCCC1=[N+]1CCCC1)c1ccccc1 ZINC000006095756 170176217 /nfs/dbraw/zinc/17/62/17/170176217.db2.gz MUENABZQIOGRTA-MRXNPFEDSA-N 1 0 270.396 3.697 10 0 CHAERO Cc1ccccc1NC(=O)C[NH2+]C1CCCCCCC1 ZINC000008131058 170320121 /nfs/dbraw/zinc/32/01/21/170320121.db2.gz OPPLLLMTICOPKJ-UHFFFAOYSA-N 1 0 274.408 3.636 10 0 CHAERO [NH3+]C[C@@H](Cc1cccs1)c1ccc(Cl)cc1 ZINC000011588360 170423471 /nfs/dbraw/zinc/42/34/71/170423471.db2.gz AULCJPUPCASOBQ-LLVKDONJSA-N 1 0 251.782 3.687 10 0 CHAERO COc1cccc(C[C@H]([NH3+])Cc2c(F)cccc2Cl)c1 ZINC000011601079 170425541 /nfs/dbraw/zinc/42/55/41/170425541.db2.gz VPLPPTIKOICECC-LBPRGKRZSA-N 1 0 293.769 3.600 10 0 CHAERO C[C@@H]([NH3+])c1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000019873967 170903653 /nfs/dbraw/zinc/90/36/53/170903653.db2.gz FAUBLIMTDGHLOI-SNVBAGLBSA-N 1 0 269.373 3.734 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])CCc2ccccc2)cc1 ZINC000019967452 170948875 /nfs/dbraw/zinc/94/88/75/170948875.db2.gz JSZKPAWRICIMOA-KRWDZBQOSA-N 1 0 255.361 3.718 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(O)cc1 ZINC000020123434 171003891 /nfs/dbraw/zinc/00/38/91/171003891.db2.gz BEZDBNUNZLGENL-WFASDCNBSA-N 1 0 256.349 3.589 10 0 CHAERO CN(C)C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000020129374 171017129 /nfs/dbraw/zinc/01/71/29/171017129.db2.gz LYZGRXOZMSWMMN-RTBURBONSA-N 1 0 280.415 3.566 10 0 CHAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccncc1 ZINC000020139777 171026583 /nfs/dbraw/zinc/02/65/83/171026583.db2.gz NZHHXHKANWDIQI-KRWDZBQOSA-N 1 0 252.361 3.639 10 0 CHAERO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000020144693 171030467 /nfs/dbraw/zinc/03/04/67/171030467.db2.gz YCUBHCPXUYBEAU-STQMWFEESA-N 1 0 259.349 3.657 10 0 CHAERO Cc1ccc(C[NH2+]CCCOCc2ccco2)c(C)c1 ZINC000020146942 171033987 /nfs/dbraw/zinc/03/39/87/171033987.db2.gz DHGOIOIBQJKORF-UHFFFAOYSA-N 1 0 273.376 3.593 10 0 CHAERO CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1cccs1 ZINC000020189462 171055506 /nfs/dbraw/zinc/05/55/06/171055506.db2.gz LGBZWFNKIBCJCL-CQSZACIVSA-N 1 0 266.454 3.662 10 0 CHAERO CC[N@H+](Cc1ccccc1)Cc1cc(N)ccc1Cl ZINC000020192520 171058116 /nfs/dbraw/zinc/05/81/16/171058116.db2.gz UNOXEDXSXBDQLL-UHFFFAOYSA-N 1 0 274.795 3.944 10 0 CHAERO C=COCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000020197035 171061273 /nfs/dbraw/zinc/06/12/73/171061273.db2.gz CIJSGPBVAUAWPA-UHFFFAOYSA-N 1 0 260.164 3.633 10 0 CHAERO Clc1cc(Cl)cc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020221556 171083050 /nfs/dbraw/zinc/08/30/50/171083050.db2.gz FCUOSPWITGFBTJ-GFCCVEGCSA-N 1 0 274.191 3.904 10 0 CHAERO Cc1ccccc1[C@@H](C[NH3+])N(C)Cc1ccccc1Cl ZINC000020225443 171088189 /nfs/dbraw/zinc/08/81/89/171088189.db2.gz INELDZNAPZGPDE-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO CN(Cc1cccc(Cl)c1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225663 171088537 /nfs/dbraw/zinc/08/85/37/171088537.db2.gz SHOYVJILHKSGGD-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO Cc1cc(C)cc(N(CCC[NH3+])Cc2cccs2)c1 ZINC000020237764 171096389 /nfs/dbraw/zinc/09/63/89/171096389.db2.gz SQDNHYFSZVNBFE-UHFFFAOYSA-N 1 0 274.433 3.720 10 0 CHAERO CC[C@@H]([C@@H]([NH3+])c1ccccc1)n1ccnc1C(C)C ZINC000020261734 171119361 /nfs/dbraw/zinc/11/93/61/171119361.db2.gz RQVDLAMZPFDPNM-GJZGRUSLSA-N 1 0 257.381 3.658 10 0 CHAERO CC[C@@H](Oc1cccc(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000020262676 171121038 /nfs/dbraw/zinc/12/10/38/171121038.db2.gz GTAPERSFEWYTTF-CVEARBPZSA-N 1 0 259.324 3.683 10 0 CHAERO Cc1ccc(CN(C)c2ccccc2[C@@H](C)[NH3+])cc1 ZINC000020264679 171121494 /nfs/dbraw/zinc/12/14/94/171121494.db2.gz IDSIXBKGXCTXHB-CQSZACIVSA-N 1 0 254.377 3.651 10 0 CHAERO C[C@@H]([NH3+])c1ccc(-c2ccccc2Br)o1 ZINC000020267850 171124263 /nfs/dbraw/zinc/12/42/63/171124263.db2.gz QBZXFNJDGJCAPC-MRVPVSSYSA-N 1 0 266.138 3.729 10 0 CHAERO C[C@@H]([NH3+])c1ccc(-c2ccc(Br)cc2)o1 ZINC000020267856 171124444 /nfs/dbraw/zinc/12/44/44/171124444.db2.gz WALDUVZAIGZEQG-MRVPVSSYSA-N 1 0 266.138 3.729 10 0 CHAERO CC(C)c1ccc(COc2ccccc2C[NH3+])cc1 ZINC000020352397 171156998 /nfs/dbraw/zinc/15/69/98/171156998.db2.gz PZMIMJKXNDSHLP-UHFFFAOYSA-N 1 0 255.361 3.848 10 0 CHAERO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(Cl)cc1N ZINC000020382997 171173401 /nfs/dbraw/zinc/17/34/01/171173401.db2.gz HQPWQJXJEODDCU-LBPRGKRZSA-N 1 0 281.831 3.599 10 0 CHAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)c1ccccc1Cl ZINC000020384731 171174996 /nfs/dbraw/zinc/17/49/96/171174996.db2.gz ZTMFMXIKTHXQQX-INIZCTEOSA-N 1 0 257.764 3.877 10 0 CHAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)CCC3)cc1C ZINC000020384808 171175077 /nfs/dbraw/zinc/17/50/77/171175077.db2.gz IIDSNLJYUZUMQH-GOSISDBHSA-N 1 0 251.373 3.840 10 0 CHAERO [NH3+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000020390699 171179528 /nfs/dbraw/zinc/17/95/28/171179528.db2.gz CATCOJQVFLPFII-UHFFFAOYSA-N 1 0 289.338 3.744 10 0 CHAERO [NH3+][C@@H](Cc1nc2ccccc2s1)C1CCCCC1 ZINC000020428542 171194236 /nfs/dbraw/zinc/19/42/36/171194236.db2.gz XUIDKKXDEJLSQD-LBPRGKRZSA-N 1 0 260.406 3.746 10 0 CHAERO Cc1cc([C@@H]([NH3+])c2ccc3c(c2)CCC3)c(C)s1 ZINC000020431438 171196002 /nfs/dbraw/zinc/19/60/02/171196002.db2.gz DJCHMPBPGOUWHM-INIZCTEOSA-N 1 0 257.402 3.902 10 0 CHAERO [NH2+]=C1CCCN1c1ccc(Cl)cc1C(F)(F)F ZINC000020443934 171205503 /nfs/dbraw/zinc/20/55/03/171205503.db2.gz QEDZWQVPSJCIFH-UHFFFAOYSA-N 1 0 262.662 3.936 10 0 CHAERO CC[C@H]1CCCC[C@H]1Oc1ccc(C[NH3+])cc1F ZINC000020470055 171211407 /nfs/dbraw/zinc/21/14/07/171211407.db2.gz DZQSWPIZGLBUCG-GXTWGEPZSA-N 1 0 251.345 3.632 10 0 CHAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000020471401 171214077 /nfs/dbraw/zinc/21/40/77/171214077.db2.gz WKCBAFMGCNYSLM-CQSZACIVSA-N 1 0 288.778 3.677 10 0 CHAERO CCCC[NH+](CCCC)[C@@H]1CCCCCC[C@@H]1N ZINC000020485392 171225291 /nfs/dbraw/zinc/22/52/91/171225291.db2.gz XIJCNBLZYZISPU-JKSUJKDBSA-N 1 0 254.462 3.939 10 0 CHAERO CCCC[NH+](CCCC)C[C@@H](N)c1ccc(C)cc1 ZINC000020485468 171225464 /nfs/dbraw/zinc/22/54/64/171225464.db2.gz QVCRMSCWWAYTKU-QGZVFWFLSA-N 1 0 262.441 3.897 10 0 CHAERO CCCCCCOc1ccc([C@H](C)[NH3+])cc1OC ZINC000020519709 171233420 /nfs/dbraw/zinc/23/34/20/171233420.db2.gz BSKHDIQACVMXKN-LBPRGKRZSA-N 1 0 251.370 3.674 10 0 CHAERO CCC[NH2+]CCCOc1cccc(Cl)c1Cl ZINC000020525431 171238233 /nfs/dbraw/zinc/23/82/33/171238233.db2.gz DCAWGMNLMJYMRZ-UHFFFAOYSA-N 1 0 262.180 3.762 10 0 CHAERO CC(C)[C@@H](Oc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000020547794 171245114 /nfs/dbraw/zinc/24/51/14/171245114.db2.gz WHKAURLHIPDHES-IAGOWNOFSA-N 1 0 273.351 3.929 10 0 CHAERO Cc1ccc(O[C@H]2CCCc3ccccc3[C@H]2[NH3+])cc1 ZINC000020547939 171245299 /nfs/dbraw/zinc/24/52/99/171245299.db2.gz BZHHXCZEVPQNKY-ZWKOTPCHSA-N 1 0 267.372 3.779 10 0 CHAERO CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000020550302 171246943 /nfs/dbraw/zinc/24/69/43/171246943.db2.gz GDCQZOIIUMBYIG-ZACQAIPSSA-N 1 0 268.489 3.911 10 0 CHAERO CCCCC[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000020551117 171247086 /nfs/dbraw/zinc/24/70/86/171247086.db2.gz HIQRISUDZAVPTN-CVEARBPZSA-N 1 0 254.462 3.665 10 0 CHAERO Cc1ccc(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000020561528 171251920 /nfs/dbraw/zinc/25/19/20/171251920.db2.gz JGHGIRSXNHGJIU-KBMXLJTQSA-N 1 0 261.409 3.916 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000020565013 171253424 /nfs/dbraw/zinc/25/34/24/171253424.db2.gz VTEZYVFOBPZBAZ-RWSFTLGLSA-N 1 0 253.336 3.879 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2ccc(C)c(C)c2)cc1 ZINC000020565396 171254130 /nfs/dbraw/zinc/25/41/30/171254130.db2.gz XIIJSCTUAWKQHW-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO COc1ccc(OC)c(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020567202 171255177 /nfs/dbraw/zinc/25/51/77/171255177.db2.gz DXXNWNNQZWHAFC-WWGRRREGSA-N 1 0 277.408 3.618 10 0 CHAERO Nc1c[nH+]ccc1Nc1ccc(Cl)c(Cl)c1 ZINC000020585345 171258689 /nfs/dbraw/zinc/25/86/89/171258689.db2.gz DIBCPSCGIMKKHX-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO CCC(CC)[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586938 171259560 /nfs/dbraw/zinc/25/95/60/171259560.db2.gz LHKIJPFBZUMGHL-CYBMUJFWSA-N 1 0 286.213 3.894 10 0 CHAERO CCC[C@H](C)[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586579 171259577 /nfs/dbraw/zinc/25/95/77/171259577.db2.gz YVJKADJSVWZNAR-TVQRCGJNSA-N 1 0 286.213 3.894 10 0 CHAERO Cc1ccc(F)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020596026 171264381 /nfs/dbraw/zinc/26/43/81/171264381.db2.gz PEWRIIUESRCSIC-MRXNPFEDSA-N 1 0 284.378 3.821 10 0 CHAERO Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595753 171264645 /nfs/dbraw/zinc/26/46/45/171264645.db2.gz AZWBZWTYGXIDDG-GOSISDBHSA-N 1 0 266.388 3.681 10 0 CHAERO CCCOc1ccccc1C[NH2+]Cc1ccccc1OC ZINC000020924632 171279982 /nfs/dbraw/zinc/27/99/82/171279982.db2.gz XUYPCBZEQUSTKD-UHFFFAOYSA-N 1 0 285.387 3.774 10 0 CHAERO CCCCOCCC[NH2+]Cc1ccccc1OCCC ZINC000020924628 171279988 /nfs/dbraw/zinc/27/99/88/171279988.db2.gz XSWSPASWGNQBQW-UHFFFAOYSA-N 1 0 279.424 3.772 10 0 CHAERO CCCOc1ccc2ccccc2c1C[NH2+]CCCOC ZINC000020930859 171281084 /nfs/dbraw/zinc/28/10/84/171281084.db2.gz MXOZYYNDEBHDAW-UHFFFAOYSA-N 1 0 287.403 3.755 10 0 CHAERO COc1ccc([C@H]([NH3+])CC2CCCCC2)c(OC)c1 ZINC000021009595 171286369 /nfs/dbraw/zinc/28/63/69/171286369.db2.gz KBGPVJRWLAPOKT-OAHLLOKOSA-N 1 0 263.381 3.674 10 0 CHAERO CN(C)C[C@H]([NH2+]CCCc1ccccc1)c1ccccc1 ZINC000021010603 171286670 /nfs/dbraw/zinc/28/66/70/171286670.db2.gz SUNJVFXYBKTHMD-IBGZPJMESA-N 1 0 282.431 3.512 10 0 CHAERO CC[NH+](CC)[C@H](c1ccccc1)[C@H](N)Cc1ccccc1 ZINC000021013693 171288768 /nfs/dbraw/zinc/28/87/68/171288768.db2.gz AVAKWBHVJIRYDX-RTBURBONSA-N 1 0 282.431 3.640 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC000021015847 171289623 /nfs/dbraw/zinc/28/96/23/171289623.db2.gz VATSLSGCZWPGEU-XYPHTWIQSA-N 1 0 261.409 3.985 10 0 CHAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC000021015843 171289638 /nfs/dbraw/zinc/28/96/38/171289638.db2.gz VATSLSGCZWPGEU-JQFCIGGWSA-N 1 0 261.409 3.985 10 0 CHAERO N[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1[NH+]1CCCCCC1 ZINC000021039155 171292664 /nfs/dbraw/zinc/29/26/64/171292664.db2.gz HRTQGENBYQAFPX-KSZLIROESA-N 1 0 272.436 3.526 10 0 CHAERO Cc1cccc(OC[C@@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000021057626 171296089 /nfs/dbraw/zinc/29/60/89/171296089.db2.gz KHSHBFMLQYVLEY-QGZVFWFLSA-N 1 0 269.388 3.999 10 0 CHAERO Cc1cccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000021164031 171298796 /nfs/dbraw/zinc/29/87/96/171298796.db2.gz GHXLVGKFJZKUNX-LJQANCHMSA-N 1 0 274.367 3.978 10 0 CHAERO CCN(C[C@H]([NH3+])c1cc2ccccc2o1)c1ccccc1 ZINC000021502371 171306523 /nfs/dbraw/zinc/30/65/23/171306523.db2.gz FQICOBCXCAWOAX-INIZCTEOSA-N 1 0 280.371 3.959 10 0 CHAERO CCC[C@H](C)[C@H]([NH3+])c1ccc(OCC)c(OCC)c1 ZINC000021505766 171307690 /nfs/dbraw/zinc/30/76/90/171307690.db2.gz TWTQGWQFFKUGOK-LRDDRELGSA-N 1 0 265.397 3.920 10 0 CHAERO CC(C)C[C@H](C)OC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000021509800 171309527 /nfs/dbraw/zinc/30/95/27/171309527.db2.gz XEVRJHAIMARUJI-QCAJKXFRSA-N 1 0 279.468 3.981 10 0 CHAERO CCN(CC)[C@@H](C[NH2+]CCC(C)C)c1ccccc1 ZINC000021517971 171314180 /nfs/dbraw/zinc/31/41/80/171314180.db2.gz OXGPLHGKCHKZNH-KRWDZBQOSA-N 1 0 262.441 3.705 10 0 CHAERO CCCc1ccc([C@@H]([NH3+])CN(C)c2ccccc2)cc1 ZINC000021519199 171315179 /nfs/dbraw/zinc/31/51/79/171315179.db2.gz NGDSYQFVAQEVPE-SFHVURJKSA-N 1 0 268.404 3.775 10 0 CHAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCn1cnc2ccccc21 ZINC000021792625 171324095 /nfs/dbraw/zinc/32/40/95/171324095.db2.gz PEQIZZUXTYIFJR-MVVMVCHASA-N 1 0 285.435 3.841 10 0 CHAERO Cc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N(C)C)c(C)s1 ZINC000021809147 171328721 /nfs/dbraw/zinc/32/87/21/171328721.db2.gz WAOLXFDUXPAZQC-DOMZBBRYSA-N 1 0 268.470 3.602 10 0 CHAERO CC(C)[C@H](CNCc1c(Cl)cccc1Cl)[NH+](C)C ZINC000021810871 171328847 /nfs/dbraw/zinc/32/88/47/171328847.db2.gz RSXFOXJOWSDUFL-AWEZNQCLSA-N 1 0 289.250 3.669 10 0 CHAERO CCCCCOc1ccc(C[NH2+]CCN(CC)CC)cc1 ZINC000021814109 171331407 /nfs/dbraw/zinc/33/14/07/171331407.db2.gz KQHAIKAFWSOCPR-UHFFFAOYSA-N 1 0 292.467 3.687 10 0 CHAERO Cc1ccc(OC[C@@H]([NH3+])c2ccc(C)c(C)c2)cc1 ZINC000021814392 171331831 /nfs/dbraw/zinc/33/18/31/171331831.db2.gz VBGFLMCBIKLIHH-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO Cc1cc(C)c([C@@H]([NH3+])COC2CCCCC2)c(C)c1 ZINC000021815758 171332028 /nfs/dbraw/zinc/33/20/28/171332028.db2.gz GHFUILDJKGTKTE-INIZCTEOSA-N 1 0 261.409 3.961 10 0 CHAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]CCC1=CCCCC1 ZINC000021815179 171332041 /nfs/dbraw/zinc/33/20/41/171332041.db2.gz QJSZLHPJYKRGQY-INIZCTEOSA-N 1 0 257.377 3.990 10 0 CHAERO CC(C)COCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021819310 171334186 /nfs/dbraw/zinc/33/41/86/171334186.db2.gz YNJRUGXHCPGIQT-CABCVRRESA-N 1 0 255.446 3.854 10 0 CHAERO CCCCC[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000022152474 171359642 /nfs/dbraw/zinc/35/96/42/171359642.db2.gz FCZZUOVAKJTQHO-QGZVFWFLSA-N 1 0 262.441 3.849 10 0 CHAERO COc1ccc(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000022153321 171360253 /nfs/dbraw/zinc/36/02/53/171360253.db2.gz KIQZUWHHZCZJMM-UHOFOFEASA-N 1 0 277.408 3.616 10 0 CHAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022210860 171373398 /nfs/dbraw/zinc/37/33/98/171373398.db2.gz UQRWOZSQDSPVDY-FZMZJTMJSA-N 1 0 286.341 3.580 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2ccccc2F)c(C)c1 ZINC000023069339 171409581 /nfs/dbraw/zinc/40/95/81/171409581.db2.gz REPKAWARRSQFTC-OAHLLOKOSA-N 1 0 259.324 3.521 10 0 CHAERO Clc1ccc(Cl)c(CC[C@@H]2CCC[NH2+]C2)c1 ZINC000029558996 171603343 /nfs/dbraw/zinc/60/33/43/171603343.db2.gz UAGKOEXJTPHIRB-JTQLQIEISA-N 1 0 258.192 3.926 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000034666153 171855087 /nfs/dbraw/zinc/85/50/87/171855087.db2.gz OVIQTQAGEMLOFV-LBPRGKRZSA-N 1 0 257.333 3.768 10 0 CHAERO COc1cc([C@H]([NH3+])c2ccc(Cl)s2)ccc1C ZINC000034939165 171898958 /nfs/dbraw/zinc/89/89/58/171898958.db2.gz FACAABCXFWTAMY-ZDUSSCGKSA-N 1 0 267.781 3.767 10 0 CHAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)C1CCCCC1 ZINC000034940438 171899976 /nfs/dbraw/zinc/89/99/76/171899976.db2.gz RYLYWCKCYXAENC-INIZCTEOSA-N 1 0 254.377 3.685 10 0 CHAERO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]Cc1nc2ccccc2s1 ZINC000035015069 171931989 /nfs/dbraw/zinc/93/19/89/171931989.db2.gz JJHKRTPWQHNIQN-FRRDWIJNSA-N 1 0 270.401 3.598 10 0 CHAERO COc1ccc(C)cc1C[NH2+][C@H]1CCC[C@H](C)[C@@H]1C ZINC000035161915 172022103 /nfs/dbraw/zinc/02/21/03/172022103.db2.gz IGMUAIRDQOQVEU-DZKIICNBSA-N 1 0 261.409 3.918 10 0 CHAERO CC[C@@H](C)C[C@@](CC)(CN)[N@H+](C)C1CCCCC1 ZINC000035176671 172029592 /nfs/dbraw/zinc/02/95/92/172029592.db2.gz SLMUWJJFZOUCLE-ZBFHGGJFSA-N 1 0 254.462 3.795 10 0 CHAERO CC[N@H+](C1CCCCC1)[C@@](C)(CN)CCC(C)C ZINC000035176730 172030311 /nfs/dbraw/zinc/03/03/11/172030311.db2.gz BHHUGZWPUOXRGC-MRXNPFEDSA-N 1 0 254.462 3.795 10 0 CHAERO CC[C@@H]1CC[C@@H](N)[C@H]([N@H+](CC)C2CCCCC2)C1 ZINC000035219757 172060355 /nfs/dbraw/zinc/06/03/55/172060355.db2.gz SGVWFLBWJIYHTA-FVQBIDKESA-N 1 0 252.446 3.547 10 0 CHAERO Cc1ccc([C@@H](N)[C@H](C)[N@H+](C)C2CCCCC2)cc1 ZINC000035219792 172061114 /nfs/dbraw/zinc/06/11/14/172061114.db2.gz YRDUJMNPDKYJRC-YOEHRIQHSA-N 1 0 260.425 3.648 10 0 CHAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000035224642 172068660 /nfs/dbraw/zinc/06/86/60/172068660.db2.gz TVBLEEZRJHUFTB-NVXWUHKLSA-N 1 0 290.451 3.620 10 0 CHAERO CCc1ccc([C@H]([NH3+])c2cc3c(s2)CCC3)s1 ZINC000035380834 172163784 /nfs/dbraw/zinc/16/37/84/172163784.db2.gz GLMFQVPQBMZEHA-AWEZNQCLSA-N 1 0 263.431 3.909 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccc(Cl)cc2)cc1F ZINC000035424340 172192749 /nfs/dbraw/zinc/19/27/49/172192749.db2.gz WDXFXCSYUBRAEU-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1F ZINC000035424344 172192908 /nfs/dbraw/zinc/19/29/08/172192908.db2.gz SRCHWBZCXXETSX-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)cc1)C(C)(C)C ZINC000035462461 172210535 /nfs/dbraw/zinc/21/05/35/172210535.db2.gz MLYLAGPAISAXPI-NSHDSACASA-N 1 0 256.187 3.756 10 0 CHAERO CCCCC[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466655 172214325 /nfs/dbraw/zinc/21/43/25/172214325.db2.gz PCHXTIJIKSZBDV-AWEZNQCLSA-N 1 0 251.370 3.545 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(C)cc1C ZINC000035468026 172216807 /nfs/dbraw/zinc/21/68/07/172216807.db2.gz LSLIKSPBFYTFLC-CQSZACIVSA-N 1 0 294.192 3.968 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(OC)cc1C ZINC000035468327 172217768 /nfs/dbraw/zinc/21/77/68/172217768.db2.gz TUKBFCJWTFKACX-HNNXBMFYSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1)c1c(F)cc(F)cc1F ZINC000035469613 172220830 /nfs/dbraw/zinc/22/08/30/172220830.db2.gz LNQBVRKHCCTXEB-CQSZACIVSA-N 1 0 265.278 3.607 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1cc(Cl)ccc1OC ZINC000035488046 172223138 /nfs/dbraw/zinc/22/31/38/172223138.db2.gz QYRFFIUSLMZUNZ-ZDUSSCGKSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@@H](c1ccc(Br)o1)c1cc(C)ccc1C ZINC000035489405 172223831 /nfs/dbraw/zinc/22/38/31/172223831.db2.gz IZMKRKVUVWWQDA-CQSZACIVSA-N 1 0 294.192 3.968 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)cc1OC)C1CCCCC1 ZINC000035488957 172224132 /nfs/dbraw/zinc/22/41/32/172224132.db2.gz CQVUJIDPSLDQPV-INIZCTEOSA-N 1 0 263.381 3.545 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(F)c1)c1cc(C)ccc1C ZINC000035489752 172224852 /nfs/dbraw/zinc/22/48/52/172224852.db2.gz BQPJUIBWXZCUFD-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc(F)cc(F)c1 ZINC000035498253 172231672 /nfs/dbraw/zinc/23/16/72/172231672.db2.gz ZQXIUYPEYVGCRV-LBPRGKRZSA-N 1 0 273.735 3.989 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cccc(OC)c1 ZINC000035498326 172232506 /nfs/dbraw/zinc/23/25/06/172232506.db2.gz PAGWUZZATMXVKW-ZDUSSCGKSA-N 1 0 267.781 3.719 10 0 CHAERO CC[C@@H](C)[C@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501250 172235675 /nfs/dbraw/zinc/23/56/75/172235675.db2.gz GHLWKVMFBNNIIF-OTYXRUKQSA-N 1 0 271.788 3.664 10 0 CHAERO C[NH2+][C@@H](c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000035501515 172236028 /nfs/dbraw/zinc/23/60/28/172236028.db2.gz JSXYZIDSYYSGCO-CYBMUJFWSA-N 1 0 267.159 3.697 10 0 CHAERO CCC[C@@H]([NH2+]C)c1cc(Br)ccc1OCC ZINC000035505578 172239126 /nfs/dbraw/zinc/23/91/26/172239126.db2.gz NRXWWVXGKFNSQH-GFCCVEGCSA-N 1 0 286.213 3.908 10 0 CHAERO C[NH2+][C@H](CC(C)(C)C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507273 172240334 /nfs/dbraw/zinc/24/03/34/172240334.db2.gz UEZFTHIMZXSZKA-CYBMUJFWSA-N 1 0 280.799 3.531 10 0 CHAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(OC)c(Cl)c1 ZINC000035538258 172244890 /nfs/dbraw/zinc/24/48/90/172244890.db2.gz ISZLCIFELAVODN-CQSZACIVSA-N 1 0 265.740 3.641 10 0 CHAERO CC[NH2+][C@H](c1occc1C)c1ccc(F)c(F)c1 ZINC000035548606 172257039 /nfs/dbraw/zinc/25/70/39/172257039.db2.gz RXPABVNWAKYHER-ZDUSSCGKSA-N 1 0 251.276 3.565 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1cc(F)ccc1OC ZINC000035554259 172260645 /nfs/dbraw/zinc/26/06/45/172260645.db2.gz CGPZHPRNPMYVIX-CQSZACIVSA-N 1 0 265.353 3.595 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1cc(F)ccc1OC ZINC000035554335 172260846 /nfs/dbraw/zinc/26/08/46/172260846.db2.gz CYZWGNZCMCGADG-CQSZACIVSA-N 1 0 265.353 3.595 10 0 CHAERO CC(C)C[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1Cc1ccccc1 ZINC000035565302 172264114 /nfs/dbraw/zinc/26/41/14/172264114.db2.gz ORWWEAVWTJMTDI-QZTJIDSGSA-N 1 0 274.452 3.531 10 0 CHAERO CC(C)C[C@@H]1CN[C@H](C(C)C)C[N@@H+]1Cc1ccccc1 ZINC000035565298 172264416 /nfs/dbraw/zinc/26/44/16/172264416.db2.gz ORWWEAVWTJMTDI-MSOLQXFVSA-N 1 0 274.452 3.531 10 0 CHAERO CC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000035559024 172264536 /nfs/dbraw/zinc/26/45/36/172264536.db2.gz BSSXPLXSOLUTCV-QWHCGFSZSA-N 1 0 274.191 3.823 10 0 CHAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035570068 172265583 /nfs/dbraw/zinc/26/55/83/172265583.db2.gz RACIAZXDWDSBLP-GFCCVEGCSA-N 1 0 284.190 3.610 10 0 CHAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000035570440 172266590 /nfs/dbraw/zinc/26/65/90/172266590.db2.gz QKOVHPBYHDLSMD-LBPRGKRZSA-N 1 0 284.190 3.610 10 0 CHAERO CCC[NH2+][C@@H](CC)c1cc(Br)ccc1OC ZINC000035572635 172269288 /nfs/dbraw/zinc/26/92/88/172269288.db2.gz TXLSTNJSOMWAEN-LBPRGKRZSA-N 1 0 286.213 3.908 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000035575236 172272257 /nfs/dbraw/zinc/27/22/57/172272257.db2.gz PXMRCZLFSAXHFL-HNNXBMFYSA-N 1 0 260.768 3.824 10 0 CHAERO CCC[NH2+][C@H](c1cc(OC)ccc1OC)C(C)(C)C ZINC000035577833 172274285 /nfs/dbraw/zinc/27/42/85/172274285.db2.gz MVPMJMZXYQOSGJ-OAHLLOKOSA-N 1 0 265.397 3.791 10 0 CHAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)C1CCC1 ZINC000035583947 172282374 /nfs/dbraw/zinc/28/23/74/172282374.db2.gz WMQIJRYHQDKVQD-HNNXBMFYSA-N 1 0 251.345 3.675 10 0 CHAERO CCCC[C@@H](CC)[C@H](Cc1ncc[nH]1)[NH2+]CCC ZINC000035586396 172286026 /nfs/dbraw/zinc/28/60/26/172286026.db2.gz YNYMLSTXZAVGEF-KGLIPLIRSA-N 1 0 251.418 3.537 10 0 CHAERO Cc1c(N)cccc1C[N@@H+](Cc1ccccc1)C(C)C ZINC000035649055 172325490 /nfs/dbraw/zinc/32/54/90/172325490.db2.gz WBJGNPQRAMDLKP-UHFFFAOYSA-N 1 0 268.404 3.988 10 0 CHAERO CCC[NH2+][C@@H]1CCOc2c(Br)cc(C)cc21 ZINC000035653808 172330808 /nfs/dbraw/zinc/33/08/08/172330808.db2.gz NJIAWEGFNWVHRP-GFCCVEGCSA-N 1 0 284.197 3.581 10 0 CHAERO CC[NH2+][C@H]1CCCOc2cc(C)c(Cl)c(C)c21 ZINC000035657750 172332669 /nfs/dbraw/zinc/33/26/69/172332669.db2.gz SMRJHFVVJYQHKG-NSHDSACASA-N 1 0 253.773 3.780 10 0 CHAERO C[C@H]([NH3+])c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717698 172372224 /nfs/dbraw/zinc/37/22/24/172372224.db2.gz NTPCCZFXQYEKBI-JTQLQIEISA-N 1 0 264.369 3.543 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1N(C)Cc1ccsc1 ZINC000035719334 172373826 /nfs/dbraw/zinc/37/38/26/172373826.db2.gz WWAWYEZCAUOYAV-GFCCVEGCSA-N 1 0 260.406 3.665 10 0 CHAERO C[NH2+][C@@H](C)c1ccccc1N(C)Cc1ccsc1 ZINC000035719333 172374443 /nfs/dbraw/zinc/37/44/43/172374443.db2.gz WWAWYEZCAUOYAV-LBPRGKRZSA-N 1 0 260.406 3.665 10 0 CHAERO [NH3+]Cc1cccnc1Oc1ccc(Cl)cc1Cl ZINC000035719826 172374498 /nfs/dbraw/zinc/37/44/98/172374498.db2.gz OAAGNNFRIRRZHI-UHFFFAOYSA-N 1 0 269.131 3.639 10 0 CHAERO [NH3+]Cc1ccccc1CSc1ccc(F)c(F)c1 ZINC000035722057 172377313 /nfs/dbraw/zinc/37/73/13/172377313.db2.gz CCJCYJLEXXPEIF-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1ccc2c(c1)CCC2 ZINC000035724882 172379686 /nfs/dbraw/zinc/37/96/86/172379686.db2.gz PNMUBJPCARWHMA-HOCLYGCPSA-N 1 0 261.434 3.785 10 0 CHAERO CCc1cc(OCc2ccccc2C[NH3+])ccc1Cl ZINC000035727222 172380897 /nfs/dbraw/zinc/38/08/97/172380897.db2.gz UUGBOUXFBAVWKJ-UHFFFAOYSA-N 1 0 275.779 3.940 10 0 CHAERO c1c2c(cc3c1SCCC[C@@H]3[NH2+]C1CC1)CCC2 ZINC000035761061 172399219 /nfs/dbraw/zinc/39/92/19/172399219.db2.gz SPWWYXUIKDYGES-HNNXBMFYSA-N 1 0 259.418 3.854 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+]C(C)C)C[C@@H](C)S2 ZINC000035760796 172399858 /nfs/dbraw/zinc/39/98/58/172399858.db2.gz XDYAUHDRGRJVHE-ZWNOBZJWSA-N 1 0 251.395 3.619 10 0 CHAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2cc(F)c(F)cc21 ZINC000035762635 172402057 /nfs/dbraw/zinc/40/20/57/172402057.db2.gz CVWSIJLHBHVQFE-QPUJVOFHSA-N 1 0 257.349 3.890 10 0 CHAERO [NH3+]CCCCCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000037011719 172870188 /nfs/dbraw/zinc/87/01/88/172870188.db2.gz UYQXPKWQFCRWMJ-UHFFFAOYSA-N 1 0 288.338 3.987 10 0 CHAERO CCCCCCOCCCOc1ccc(C[NH3+])cc1 ZINC000037051304 172919055 /nfs/dbraw/zinc/91/90/55/172919055.db2.gz MZZHTSRIQVNCPD-UHFFFAOYSA-N 1 0 265.397 3.511 10 0 CHAERO CC[NH+](CC)Cc1ccccc1NC1CCSCC1 ZINC000037090994 172946546 /nfs/dbraw/zinc/94/65/46/172946546.db2.gz RPFGOFDLWKKIKW-UHFFFAOYSA-N 1 0 278.465 3.836 10 0 CHAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cccc(Cl)c2)C1 ZINC000037209848 173031530 /nfs/dbraw/zinc/03/15/30/173031530.db2.gz DWVOIAQCGBGDHQ-OLZOCXBDSA-N 1 0 266.816 3.872 10 0 CHAERO C[C@H]([NH2+]CC1(N(C)C)CCCCC1)C1CCCCC1 ZINC000037216992 173035704 /nfs/dbraw/zinc/03/57/04/173035704.db2.gz GFDPGYKAECCKNG-HNNXBMFYSA-N 1 0 266.473 3.809 10 0 CHAERO C[C@H](Nc1ccc(F)cc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000037222089 173042133 /nfs/dbraw/zinc/04/21/33/173042133.db2.gz OVMRPCYHRDGWKZ-QWRGUYRKSA-N 1 0 270.779 3.621 10 0 CHAERO CCc1ccc([C@H](N)[C@@H](C)[N@@H+](CC)[C@@H](C)CC)cc1 ZINC000037223841 173044438 /nfs/dbraw/zinc/04/44/38/173044438.db2.gz YVUKFKJXKRJJNW-JJRVBVJISA-N 1 0 262.441 3.758 10 0 CHAERO CC(C)[NH2+]Cc1cc(F)ccc1N(C)C1CCCC1 ZINC000037236620 173054011 /nfs/dbraw/zinc/05/40/11/173054011.db2.gz LFRXWBYWMQVJJQ-UHFFFAOYSA-N 1 0 264.388 3.703 10 0 CHAERO CCCN(c1ccc(F)cc1C[NH2+]C(C)C)C(C)C ZINC000037236644 173054368 /nfs/dbraw/zinc/05/43/68/173054368.db2.gz HNEHEKGESZZRTJ-UHFFFAOYSA-N 1 0 266.404 3.949 10 0 CHAERO Cc1ncsc1[C@@H](C)Nc1ccc(C[NH+](C)C)cc1 ZINC000037318723 173118927 /nfs/dbraw/zinc/11/89/27/173118927.db2.gz KWFLEOMLQCMTSE-GFCCVEGCSA-N 1 0 275.421 3.686 10 0 CHAERO O[C@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000037321302 173121979 /nfs/dbraw/zinc/12/19/79/173121979.db2.gz BLOJUCQHTJKMSD-SGMGOOAPSA-N 1 0 297.851 3.770 10 0 CHAERO COc1ccc([C@@H]([NH3+])Cc2ccc(C)cc2)cc1Cl ZINC000037331393 173132401 /nfs/dbraw/zinc/13/24/01/173132401.db2.gz DQQDRXIZOZRRQA-HNNXBMFYSA-N 1 0 275.779 3.900 10 0 CHAERO CC[C@@H](C(=O)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037331866 173133893 /nfs/dbraw/zinc/13/38/93/173133893.db2.gz QGYKWSOFMCWJIP-LZWOXQAQSA-N 1 0 259.393 3.626 10 0 CHAERO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)c2ccc(C)cc2)C1 ZINC000037339604 173140241 /nfs/dbraw/zinc/14/02/41/173140241.db2.gz MPQSMNOPTBETQA-GJZGRUSLSA-N 1 0 259.393 3.688 10 0 CHAERO CCC[C@@H]([NH3+])CCc1cccc(Br)c1 ZINC000037408548 173185090 /nfs/dbraw/zinc/18/50/90/173185090.db2.gz NMTNUEURUKRYPO-GFCCVEGCSA-N 1 0 256.187 3.509 10 0 CHAERO CC[C@H](C)[N@H+](CC)[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037415116 173192020 /nfs/dbraw/zinc/19/20/20/173192020.db2.gz WHAFNUJHUVLQOX-QWRGUYRKSA-N 1 0 269.335 3.656 10 0 CHAERO CCn1c2ccc(C)cc2nc1[C@@H]([NH3+])Cc1ccccc1 ZINC000037438095 173208473 /nfs/dbraw/zinc/20/84/73/173208473.db2.gz QPQZWPPTUXRZNO-HNNXBMFYSA-N 1 0 279.387 3.607 10 0 CHAERO CCCn1c2ccc(C)cc2nc1[C@@H]1CCCC[NH2+]1 ZINC000037438380 173209040 /nfs/dbraw/zinc/20/90/40/173209040.db2.gz CBVUAMGHBPUENT-ZDUSSCGKSA-N 1 0 257.381 3.569 10 0 CHAERO CC(C)n1c2ccc(F)cc2nc1[C@@H]([NH3+])C(C)(C)C ZINC000037439692 173209552 /nfs/dbraw/zinc/20/95/52/173209552.db2.gz LJKFKOMJBZNFRB-CYBMUJFWSA-N 1 0 263.360 3.802 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1C1CC[NH2+]CC1 ZINC000037440568 173210436 /nfs/dbraw/zinc/21/04/36/173210436.db2.gz KONMIHAUDPYTNH-UHFFFAOYSA-N 1 0 277.799 3.567 10 0 CHAERO CCCn1c2ccc(Br)cc2nc1[C@@H]([NH3+])CC ZINC000037441615 173210934 /nfs/dbraw/zinc/21/09/34/173210934.db2.gz YPAGSISJOADPRT-JTQLQIEISA-N 1 0 296.212 3.619 10 0 CHAERO CC(C)C[C@H]([NH3+])c1nc2c(cccc2F)n1C(C)C ZINC000037442785 173211534 /nfs/dbraw/zinc/21/15/34/173211534.db2.gz SAGVVEJLVPFKRJ-LBPRGKRZSA-N 1 0 263.360 3.802 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)cc1Br)C1CCCC1 ZINC000037445108 173212490 /nfs/dbraw/zinc/21/24/90/173212490.db2.gz GMSAFTDBVKGLNT-AWEZNQCLSA-N 1 0 298.224 3.908 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1Br)C1CCCCC1 ZINC000037466941 173226681 /nfs/dbraw/zinc/22/66/81/173226681.db2.gz ZWPDYGLPHSOQDD-AWEZNQCLSA-N 1 0 282.225 3.899 10 0 CHAERO [NH3+][C@H](Cc1cccc(Br)c1)C1CCCC1 ZINC000037466996 173226690 /nfs/dbraw/zinc/22/66/90/173226690.db2.gz DKSJKZASEMNSMB-CYBMUJFWSA-N 1 0 268.198 3.509 10 0 CHAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000037535248 173254547 /nfs/dbraw/zinc/25/45/47/173254547.db2.gz QQVYLYDDTABRRE-HZPDHXFCSA-N 1 0 281.827 3.820 10 0 CHAERO CCC[NH2+][C@H](Cc1ccccn1)c1ccc(F)cc1 ZINC000037535468 173255055 /nfs/dbraw/zinc/25/50/55/173255055.db2.gz RLXWMNVGJOAYTP-MRXNPFEDSA-N 1 0 258.340 3.504 10 0 CHAERO CCCOc1ccc(C[C@@H](C)[NH3+])c(O[C@@H](C)CC)c1 ZINC000037722186 173640346 /nfs/dbraw/zinc/64/03/46/173640346.db2.gz OMLJWSFFPDFUPC-OLZOCXBDSA-N 1 0 265.397 3.542 10 0 CHAERO C[C@H]([NH3+])Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000037724280 173642986 /nfs/dbraw/zinc/64/29/86/173642986.db2.gz WYPCICJWVBSRCA-LBPRGKRZSA-N 1 0 275.779 3.809 10 0 CHAERO CCCCCOc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000037725628 173643971 /nfs/dbraw/zinc/64/39/71/173643971.db2.gz CPBXAFJCTQNWLX-LLVKDONJSA-N 1 0 255.789 3.799 10 0 CHAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1OC/C=C/Cl ZINC000037725878 173644480 /nfs/dbraw/zinc/64/44/80/173644480.db2.gz ZVYVSEWKNKZDOO-UXONFWTHSA-N 1 0 274.191 3.751 10 0 CHAERO C[C@@H]([NH3+])Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000037726451 173645073 /nfs/dbraw/zinc/64/50/73/173645073.db2.gz OFXCCSJIIFCDMF-GFCCVEGCSA-N 1 0 275.779 3.809 10 0 CHAERO CC[C@@H]1CCCN1[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037913295 173846582 /nfs/dbraw/zinc/84/65/82/173846582.db2.gz RQVYYARUYLJPAP-KGLIPLIRSA-N 1 0 287.234 3.868 10 0 CHAERO COC(=O)CCC[NH2+]Cc1sc2ccccc2c1Cl ZINC000037979383 173937711 /nfs/dbraw/zinc/93/77/11/173937711.db2.gz MKUYPRXFCPDEMT-UHFFFAOYSA-N 1 0 297.807 3.598 10 0 CHAERO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)cc1 ZINC000038028195 174016187 /nfs/dbraw/zinc/01/61/87/174016187.db2.gz HDTWCMBAJUCDTG-JKSUJKDBSA-N 1 0 274.452 3.774 10 0 CHAERO C[C@@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCCC1 ZINC000038029040 174018431 /nfs/dbraw/zinc/01/84/31/174018431.db2.gz VRUMKBHJDXHODN-WNRNVDISSA-N 1 0 278.484 3.809 10 0 CHAERO Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)n1 ZINC000038034108 174032311 /nfs/dbraw/zinc/03/23/11/174032311.db2.gz KJDQKHRRWHVGPS-LSDHHAIUSA-N 1 0 277.412 3.607 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccnc(C)n2)c(C)c1 ZINC000038037435 174037187 /nfs/dbraw/zinc/03/71/87/174037187.db2.gz LVTBXEVVEXORCW-CQSZACIVSA-N 1 0 269.392 3.561 10 0 CHAERO C[NH2+][C@H](c1ccc2c(c1)CCCO2)C1CCCCC1 ZINC000038058037 174068112 /nfs/dbraw/zinc/06/81/12/174068112.db2.gz IYBFXASIGAWQLS-KRWDZBQOSA-N 1 0 259.393 3.852 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070065 174080891 /nfs/dbraw/zinc/08/08/91/174080891.db2.gz ZXNIJDVEBVIAGB-ZDUSSCGKSA-N 1 0 254.377 3.700 10 0 CHAERO Fc1ccc(-c2ccc(C[NH2+]C3CC3)c(F)c2)cc1 ZINC000038070793 174081420 /nfs/dbraw/zinc/08/14/20/174081420.db2.gz YKVSBLJIVKZRNM-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO CC[NH2+]Cc1ccc(-c2cc(F)cc(F)c2)cc1F ZINC000038070263 174081538 /nfs/dbraw/zinc/08/15/38/174081538.db2.gz KSPNGIWAYYQJKM-UHFFFAOYSA-N 1 0 265.278 3.880 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(-c2cc(F)ccc2OC)cc1 ZINC000038073378 174083284 /nfs/dbraw/zinc/08/32/84/174083284.db2.gz KMNDRUIVYOQOGH-OAHLLOKOSA-N 1 0 259.324 3.911 10 0 CHAERO CCC[NH2+][C@@H](c1ccncc1)c1ccccc1Cl ZINC000038078551 174088872 /nfs/dbraw/zinc/08/88/72/174088872.db2.gz KBGLMVWSBLNBIS-HNNXBMFYSA-N 1 0 260.768 3.824 10 0 CHAERO Cc1csc(C[NH2+]C2CC(c3cccc(F)c3)C2)n1 ZINC000038090971 174104986 /nfs/dbraw/zinc/10/49/86/174104986.db2.gz FVMBERPRWCQKKX-UHFFFAOYSA-N 1 0 276.380 3.626 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000038092399 174106043 /nfs/dbraw/zinc/10/60/43/174106043.db2.gz GMHROHVFBOUILV-GLQYFDAESA-N 1 0 267.800 3.684 10 0 CHAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[C@H]1CCCO1 ZINC000038095358 174108691 /nfs/dbraw/zinc/10/86/91/174108691.db2.gz NBMAPNHPOHVOPM-WBVHZDCISA-N 1 0 259.393 3.613 10 0 CHAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1Br ZINC000038095472 174109539 /nfs/dbraw/zinc/10/95/39/174109539.db2.gz AZHCDGGQGUUMTA-NWDGAFQWSA-N 1 0 298.224 3.669 10 0 CHAERO Clc1ccc(C2CC([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000038096129 174110200 /nfs/dbraw/zinc/11/02/00/174110200.db2.gz YOCLCKRVBUCSCS-BCLQGDPASA-N 1 0 279.811 3.745 10 0 CHAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)C1CCCCC1 ZINC000038133399 174132441 /nfs/dbraw/zinc/13/24/41/174132441.db2.gz BLCPQCOZKCUDMP-KRWDZBQOSA-N 1 0 261.409 3.796 10 0 CHAERO Nc1c[nH+]ccc1NCc1ccc(Cl)cc1Cl ZINC000038549215 174146284 /nfs/dbraw/zinc/14/62/84/174146284.db2.gz QTQXXQAFHUVULU-UHFFFAOYSA-N 1 0 268.147 3.583 10 0 CHAERO CCCC[C@@H]([NH3+])c1nc2ccccc2n1CCCOCC ZINC000040163840 174197042 /nfs/dbraw/zinc/19/70/42/174197042.db2.gz DQFMULZOFWUMOV-CQSZACIVSA-N 1 0 289.423 3.653 10 0 CHAERO C[C@@H]([NH3+])c1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417904 174256437 /nfs/dbraw/zinc/25/64/37/174256437.db2.gz HIPPJVZKWGYUAA-LLVKDONJSA-N 1 0 285.778 3.758 10 0 CHAERO CCCOc1c(C[NH2+]CC(C)C)cc(Cl)cc1OC ZINC000040722190 174385622 /nfs/dbraw/zinc/38/56/22/174385622.db2.gz RPGALOHHWKIIKO-UHFFFAOYSA-N 1 0 285.815 3.883 10 0 CHAERO C[C@H](CC[NH3+])Oc1ccc(Oc2ccccc2)cc1 ZINC000041065881 174467813 /nfs/dbraw/zinc/46/78/13/174467813.db2.gz XLVXAEWARITLOF-CYBMUJFWSA-N 1 0 257.333 3.595 10 0 CHAERO O[C@H](CC[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000041144984 174495763 /nfs/dbraw/zinc/49/57/63/174495763.db2.gz SUUQSHXPKWZAIF-OAHLLOKOSA-N 1 0 267.800 3.640 10 0 CHAERO C[NH2+]C[C@H](C)CCOc1ccc(Cl)c(Cl)c1 ZINC000041353008 174531588 /nfs/dbraw/zinc/53/15/88/174531588.db2.gz FHOCLCCVINSLNZ-SECBINFHSA-N 1 0 262.180 3.618 10 0 CHAERO C[NH2+]C[C@H](c1cc(Cl)ccc1OC)C1CCCC1 ZINC000041386853 174542971 /nfs/dbraw/zinc/54/29/71/174542971.db2.gz FAXWMIBDWKMMON-AWEZNQCLSA-N 1 0 267.800 3.842 10 0 CHAERO C[NH2+]C[C@@H](c1cccc(Br)c1)C1CCCC1 ZINC000041438921 174553207 /nfs/dbraw/zinc/55/32/07/174553207.db2.gz AACMTGKBDPWVOL-CQSZACIVSA-N 1 0 282.225 3.942 10 0 CHAERO COc1ccc(C)cc1C[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000041464007 174556277 /nfs/dbraw/zinc/55/62/77/174556277.db2.gz NQLOOQZOCGFJOZ-HNNXBMFYSA-N 1 0 287.378 3.503 10 0 CHAERO Cc1cccc(NC(=O)C[C@H]2[NH2+]CCc3ccccc32)c1C ZINC000041484263 174560570 /nfs/dbraw/zinc/56/05/70/174560570.db2.gz DICWTNWTZZEQID-GOSISDBHSA-N 1 0 294.398 3.519 10 0 CHAERO C[NH2+]C[C@@H]1CCCCN1Cc1c(Cl)cccc1Cl ZINC000042407879 174713214 /nfs/dbraw/zinc/71/32/14/174713214.db2.gz VIYNGMCQCNYHEY-NSHDSACASA-N 1 0 287.234 3.567 10 0 CHAERO CC[C@H]([NH2+]Cc1cc(Cl)ccc1OC)C(C)C ZINC000042586454 174809232 /nfs/dbraw/zinc/80/92/32/174809232.db2.gz UUNLKLHEUVMEEJ-ZDUSSCGKSA-N 1 0 255.789 3.873 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(Cl)s1 ZINC000042587559 174809456 /nfs/dbraw/zinc/80/94/56/174809456.db2.gz VJAITRZOBFWEEL-MXWKQRLJSA-N 1 0 273.829 3.746 10 0 CHAERO Cc1ccc2c(c1)[nH+]c(N)n2C[C@H]1CCCC[C@H]1C ZINC000042865845 174894847 /nfs/dbraw/zinc/89/48/47/174894847.db2.gz JAPAMVSUPNENLL-CHWSQXEVSA-N 1 0 257.381 3.753 10 0 CHAERO Cc1cc(C)cc(O[C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042903234 174906868 /nfs/dbraw/zinc/90/68/68/174906868.db2.gz YYHHNAHWVHTBET-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO CC[C@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042906993 174908634 /nfs/dbraw/zinc/90/86/34/174908634.db2.gz LUFHNIIKQDWYQK-UAGQMJEPSA-N 1 0 261.409 3.980 10 0 CHAERO Cc1ccc([C@H]([C@H](C)N)[N@H+](C)C2CCCCC2)cc1 ZINC000042907954 174908635 /nfs/dbraw/zinc/90/86/35/174908635.db2.gz ONQYLAGFKXWVCT-YOEHRIQHSA-N 1 0 260.425 3.648 10 0 CHAERO C[C@H]([NH3+])[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000042947784 174922787 /nfs/dbraw/zinc/92/27/87/174922787.db2.gz PIPMENCPPKASLR-LRDDRELGSA-N 1 0 275.779 3.945 10 0 CHAERO Cc1cccc([C@H]([C@@H](C)N)[NH+]2CCCCCCC2)c1 ZINC000042965843 174929248 /nfs/dbraw/zinc/92/92/48/174929248.db2.gz IXSMOVBOSIYABG-WBVHZDCISA-N 1 0 260.425 3.649 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OCCC(C)C)c1cccc(F)c1 ZINC000042973715 174937204 /nfs/dbraw/zinc/93/72/04/174937204.db2.gz VPZLFIYBPHJNAG-GJZGRUSLSA-N 1 0 253.361 3.667 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Cl)c1)c1ccccc1F ZINC000043047140 174957473 /nfs/dbraw/zinc/95/74/73/174957473.db2.gz QBOLUEPNQXXRGR-MEBBXXQBSA-N 1 0 279.742 3.946 10 0 CHAERO C[C@H]([NH3+])[C@H](SCc1ccco1)c1ccccc1F ZINC000043049744 174957848 /nfs/dbraw/zinc/95/78/48/174957848.db2.gz XTQOHVVUAMYPGY-HZMBPMFUSA-N 1 0 265.353 3.740 10 0 CHAERO COc1ccccc1S[C@H](C[NH3+])c1ccccc1F ZINC000043050392 174958526 /nfs/dbraw/zinc/95/85/26/174958526.db2.gz PUCBZIMRCAZULL-OAHLLOKOSA-N 1 0 277.364 3.626 10 0 CHAERO C[C@H]([NH3+])[C@H](Oc1ccccc1F)c1ccccc1Cl ZINC000043086858 174962841 /nfs/dbraw/zinc/96/28/41/174962841.db2.gz COCBLLWWNMRLRZ-BONVTDFDSA-N 1 0 279.742 3.946 10 0 CHAERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(CC)CC ZINC000043090385 174964248 /nfs/dbraw/zinc/96/42/48/174964248.db2.gz BXXPDVNPGPBFLK-KBPBESRZSA-N 1 0 299.256 3.569 10 0 CHAERO COc1ccccc1[C@@H](C[NH3+])Sc1ccccc1C ZINC000043101761 174968322 /nfs/dbraw/zinc/96/83/22/174968322.db2.gz YIYQYZLLVRTHSX-MRXNPFEDSA-N 1 0 273.401 3.796 10 0 CHAERO CC[C@@H](N)[C@@H](c1cccs1)[NH+]1CCCCCCC1 ZINC000043103133 174968926 /nfs/dbraw/zinc/96/89/26/174968926.db2.gz BHNRAYLBDJEWEL-HIFRSBDPSA-N 1 0 266.454 3.793 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccsc1 ZINC000043103758 174969471 /nfs/dbraw/zinc/96/94/71/174969471.db2.gz ITBYCYWGOHUYQD-OCCSQVGLSA-N 1 0 280.462 3.720 10 0 CHAERO C[C@H]([NH3+])[C@H](Oc1ccc2c(c1)CCC2)c1cccs1 ZINC000043110376 174974146 /nfs/dbraw/zinc/97/41/46/174974146.db2.gz DQCISQQHZXLJMS-ZBEGNZNMSA-N 1 0 273.401 3.704 10 0 CHAERO CCCCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]C ZINC000043460267 175050826 /nfs/dbraw/zinc/05/08/26/175050826.db2.gz WRXWJYPLIBSUBH-CQSZACIVSA-N 1 0 263.381 3.687 10 0 CHAERO Nc1cc[nH+]c(Nc2cccc(Cl)c2Cl)c1 ZINC000043568785 175067267 /nfs/dbraw/zinc/06/72/67/175067267.db2.gz YYLYXVFSIARSJK-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1CCOCC ZINC000043649919 175085394 /nfs/dbraw/zinc/08/53/94/175085394.db2.gz KIDXYNWEJAENGC-NVXWUHKLSA-N 1 0 261.409 3.716 10 0 CHAERO CC[NH2+][C@@H]1CCCCC[C@@H]1CCOCCC(C)C ZINC000043651012 175085421 /nfs/dbraw/zinc/08/54/21/175085421.db2.gz WEXQUCKRCIXQRP-HZPDHXFCSA-N 1 0 255.446 3.998 10 0 CHAERO CC[NH2+][C@@H]1CCCCC[C@H]1CCOCCC(C)C ZINC000043651014 175085640 /nfs/dbraw/zinc/08/56/40/175085640.db2.gz WEXQUCKRCIXQRP-JKSUJKDBSA-N 1 0 255.446 3.998 10 0 CHAERO CC[NH2+][C@@H]1CCC[C@H]1Cc1sccc1Br ZINC000043676306 175088564 /nfs/dbraw/zinc/08/85/64/175088564.db2.gz XYICJUCRCLUVKS-GXSJLCMTSA-N 1 0 288.254 3.831 10 0 CHAERO CCc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000044128949 175144979 /nfs/dbraw/zinc/14/49/79/175144979.db2.gz PGTDJGBKEJASHB-DLBZAZTESA-N 1 0 261.409 3.547 10 0 CHAERO C[NH2+][C@H]1CC(C)(C)Oc2cc(OCC(C)C)ccc21 ZINC000044421727 175174367 /nfs/dbraw/zinc/17/43/67/175174367.db2.gz LPCUAHAIJYBDNU-AWEZNQCLSA-N 1 0 263.381 3.543 10 0 CHAERO Cc1nc(-c2cccc(C)c2)sc1C[NH2+]C1CC1 ZINC000045205721 175327880 /nfs/dbraw/zinc/32/78/80/175327880.db2.gz JZRJEPSZSIEJOF-UHFFFAOYSA-N 1 0 258.390 3.679 10 0 CHAERO c1ccc(Oc2cccc(C[C@@]34C[C@@H]3C[NH2+]C4)c2)cc1 ZINC000575141536 335072020 /nfs/dbraw/zinc/07/20/20/335072020.db2.gz SEHZKUMTEZQRIV-QAPCUYQASA-N 1 0 265.356 3.631 10 0 CHAERO CC(C)(C)[C@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821333 176007455 /nfs/dbraw/zinc/00/74/55/176007455.db2.gz TZDKZEXGLYGLFZ-LBPRGKRZSA-N 1 0 268.198 3.682 10 0 CHAERO CC(C)(C)[C@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000070821338 176007475 /nfs/dbraw/zinc/00/74/75/176007475.db2.gz ZRNGMEQORDGYNS-LBPRGKRZSA-N 1 0 268.198 3.682 10 0 CHAERO CCC[NH2+][C@@H](C)c1csc(-c2cccs2)n1 ZINC000070841769 176008405 /nfs/dbraw/zinc/00/84/05/176008405.db2.gz ZOMAWKLUFQEYJW-VIFPVBQESA-N 1 0 252.408 3.932 10 0 CHAERO CCC[NH2+][C@H](CCc1cc(C)ccc1OC)C1CC1 ZINC000070940909 176014872 /nfs/dbraw/zinc/01/48/72/176014872.db2.gz DPPWJHCIUDVJDL-MRXNPFEDSA-N 1 0 261.409 3.714 10 0 CHAERO CC(C)c1nccn1[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000071137762 176036463 /nfs/dbraw/zinc/03/64/63/176036463.db2.gz HLMXEZUKQZHUDL-CYBMUJFWSA-N 1 0 251.418 3.592 10 0 CHAERO CC(C)[C@H](C[NH2+]C(C)(C)C)SCc1ccco1 ZINC000071137933 176036485 /nfs/dbraw/zinc/03/64/85/176036485.db2.gz FMTPQSFRDAQVPG-ZDUSSCGKSA-N 1 0 255.427 3.926 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1cc(F)ccc1F ZINC000071167889 176049489 /nfs/dbraw/zinc/04/94/89/176049489.db2.gz PGLYRDRCOSMJMM-MRVPVSSYSA-N 1 0 267.250 3.916 10 0 CHAERO [NH3+]C[C@H](Oc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000071167269 176049613 /nfs/dbraw/zinc/04/96/13/176049613.db2.gz XLOQFCVLCVUILC-AWEZNQCLSA-N 1 0 283.705 3.697 10 0 CHAERO C[C@@H](Cc1cccs1)NC(=[NH2+])C1CCCCC1 ZINC000071275732 176106738 /nfs/dbraw/zinc/10/67/38/176106738.db2.gz STQLIDIVENOJPD-NSHDSACASA-N 1 0 250.411 3.826 10 0 CHAERO CC[C@H]1CN(Cc2ccc(C)c(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000071343716 176130911 /nfs/dbraw/zinc/13/09/11/176130911.db2.gz ZJBGSLZSUNNRQN-ROUUACIJSA-N 1 0 274.452 3.512 10 0 CHAERO CCOc1cc(C)c([C@@H](C)CCC[NH3+])cc1Cl ZINC000071577211 176205529 /nfs/dbraw/zinc/20/55/29/176205529.db2.gz YYBAMSWSQYLOFZ-JTQLQIEISA-N 1 0 255.789 3.890 10 0 CHAERO C[NH2+]CCCCc1cc(Cl)cc(Cl)c1OC ZINC000071588381 176216490 /nfs/dbraw/zinc/21/64/90/176216490.db2.gz WNPHYDIKKOXMJN-UHFFFAOYSA-N 1 0 262.180 3.544 10 0 CHAERO Brc1cccc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000071599571 176224752 /nfs/dbraw/zinc/22/47/52/176224752.db2.gz RHQKOLCJQYQIFS-ZDUSSCGKSA-N 1 0 268.198 3.524 10 0 CHAERO [NH3+]C[C@@H](c1ccc(Br)s1)C1CCCC1 ZINC000071613973 176233678 /nfs/dbraw/zinc/23/36/78/176233678.db2.gz AURKKLFIVXUBLV-SECBINFHSA-N 1 0 274.227 3.743 10 0 CHAERO Cc1cc(Br)cc([C@@H]([NH3+])C(C)C)c1F ZINC000075902565 176818334 /nfs/dbraw/zinc/81/83/34/176818334.db2.gz NJVICSQJEJODGX-NSHDSACASA-N 1 0 260.150 3.552 10 0 CHAERO [NH3+][C@@H]1CCC[C@H](c2cc(Br)ccc2F)C1 ZINC000076413296 177020795 /nfs/dbraw/zinc/02/07/95/177020795.db2.gz BWCSQNGOMJYASN-WCBMZHEXSA-N 1 0 272.161 3.573 10 0 CHAERO CCCc1ccc([C@@H](CC[NH3+])c2cccnc2)cc1 ZINC000076658420 177046904 /nfs/dbraw/zinc/04/69/04/177046904.db2.gz DOMOLVADIQVPPA-QGZVFWFLSA-N 1 0 254.377 3.515 10 0 CHAERO [NH3+]CC[C@H](CCc1ccccc1)c1cccc(F)c1 ZINC000076664660 177050369 /nfs/dbraw/zinc/05/03/69/177050369.db2.gz SYHXRINSPOQRPZ-HNNXBMFYSA-N 1 0 257.352 3.891 10 0 CHAERO CC(C)Cc1ccc([C@@H](CC[NH3+])c2ccco2)cc1 ZINC000076664959 177050665 /nfs/dbraw/zinc/05/06/65/177050665.db2.gz PZCDOFBUZBPLME-MRXNPFEDSA-N 1 0 257.377 3.959 10 0 CHAERO CCc1ccccc1N(CC[NH3+])CC1CCCCC1 ZINC000076671538 177053619 /nfs/dbraw/zinc/05/36/19/177053619.db2.gz PACNCXHTDLJSIJ-UHFFFAOYSA-N 1 0 260.425 3.594 10 0 CHAERO CCc1cc([C@@H](CC[NH3+])C2CCCC2)ccc1OC ZINC000076673324 177054595 /nfs/dbraw/zinc/05/45/95/177054595.db2.gz KFSFGDIJAIXIGP-INIZCTEOSA-N 1 0 261.409 3.880 10 0 CHAERO Cc1cccc(OCC[C@H](C[NH3+])c2cccs2)c1 ZINC000076672993 177054799 /nfs/dbraw/zinc/05/47/99/177054799.db2.gz QENBXGAMIGUNAC-CYBMUJFWSA-N 1 0 261.390 3.568 10 0 CHAERO Cc1ccc(OC[C@@H](CC[NH3+])c2cccs2)cc1 ZINC000076673093 177054860 /nfs/dbraw/zinc/05/48/60/177054860.db2.gz BHBBKGUPFDWZDE-CYBMUJFWSA-N 1 0 261.390 3.568 10 0 CHAERO CCOc1ccc([C@@H](CC[NH3+])C2CCC2)cc1Cl ZINC000076705015 177064604 /nfs/dbraw/zinc/06/46/04/177064604.db2.gz YQVLHDFJGQKXTJ-ZDUSSCGKSA-N 1 0 267.800 3.971 10 0 CHAERO Brc1ccccc1CC[C@@H]1CCCCC[NH2+]1 ZINC000076727433 177071575 /nfs/dbraw/zinc/07/15/75/177071575.db2.gz BBHOQVRLXLFXFZ-ZDUSSCGKSA-N 1 0 282.225 3.914 10 0 CHAERO CC[NH2+]CCc1csc(Cc2cccc(Cl)c2)n1 ZINC000076783237 177091426 /nfs/dbraw/zinc/09/14/26/177091426.db2.gz QIVGTLIZDDUOSF-UHFFFAOYSA-N 1 0 280.824 3.539 10 0 CHAERO CC(C)Oc1ccc(-c2nc([C@H](C)[NH3+])cs2)cc1 ZINC000076784682 177092304 /nfs/dbraw/zinc/09/23/04/177092304.db2.gz ZIODYRUAMPHPBL-JTQLQIEISA-N 1 0 262.378 3.617 10 0 CHAERO CCC[NH2+]Cc1oc2ccc(CC)cc2c1COC ZINC000077070746 177186788 /nfs/dbraw/zinc/18/67/88/177186788.db2.gz GLVPCFUFCBXCSL-UHFFFAOYSA-N 1 0 261.365 3.641 10 0 CHAERO CCCC[C@@H](CC)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037219622 260075357 /nfs/dbraw/zinc/07/53/57/260075357.db2.gz YFBJQFMMDBSJOZ-ZBFHGGJFSA-N 1 0 288.435 3.900 10 0 CHAERO COCCC[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180228710 260096213 /nfs/dbraw/zinc/09/62/13/260096213.db2.gz YDGLJOFJHAJBFQ-KEYYUXOJSA-N 1 0 261.409 3.633 10 0 CHAERO COCc1cc([C@H](C)[NH2+][C@@H](C)C(C)C)ccc1OC ZINC000035660732 260033509 /nfs/dbraw/zinc/03/35/09/260033509.db2.gz JYPKMNITJHJJLU-STQMWFEESA-N 1 0 265.397 3.537 10 0 CHAERO COCCC[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180228739 260096058 /nfs/dbraw/zinc/09/60/58/260096058.db2.gz YDGLJOFJHAJBFQ-ZQIUZPCESA-N 1 0 261.409 3.633 10 0 CHAERO C[C@H]([NH3+])CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000070314666 260156210 /nfs/dbraw/zinc/15/62/10/260156210.db2.gz BBRXCLCZQWHHHW-ZDUSSCGKSA-N 1 0 284.359 3.545 10 0 CHAERO CCC1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000311551227 260253075 /nfs/dbraw/zinc/25/30/75/260253075.db2.gz ASJBEXIGVDNXFY-TYUFSLCMSA-N 1 0 279.346 3.655 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)c2cc(F)ccc2OC)c1 ZINC000091011542 260264399 /nfs/dbraw/zinc/26/43/99/260264399.db2.gz CBTMOZLMZNTBRK-CYBMUJFWSA-N 1 0 290.382 3.897 10 0 CHAERO CCCn1ccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000091009719 260264700 /nfs/dbraw/zinc/26/47/00/260264700.db2.gz LPTHRYKZEGLYFT-KRWDZBQOSA-N 1 0 254.377 3.675 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)c2ccccc2OC)c1 ZINC000091009510 260264728 /nfs/dbraw/zinc/26/47/28/260264728.db2.gz OQSFOOLSMGAPFX-CQSZACIVSA-N 1 0 272.392 3.758 10 0 CHAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)s1 ZINC000040517936 260290194 /nfs/dbraw/zinc/29/01/94/260290194.db2.gz PMYADTGSEGIOLC-RISCZKNCSA-N 1 0 288.416 3.934 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000090175300 260336333 /nfs/dbraw/zinc/33/63/33/260336333.db2.gz ADTBBFQSPOKXHB-SUHUHFCYSA-N 1 0 251.345 3.674 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000085220689 260372250 /nfs/dbraw/zinc/37/22/50/260372250.db2.gz BGWBTRBPYKYGGD-RDDDGLTNSA-N 1 0 274.589 3.601 10 0 CHAERO C[C@H](C(=O)Nc1ccccc1Cl)[C@@H]([NH3+])c1ccccc1 ZINC000130066708 260392909 /nfs/dbraw/zinc/39/29/09/260392909.db2.gz KUAIJHQNGSLNCW-XHDPSFHLSA-N 1 0 288.778 3.615 10 0 CHAERO Cc1cc(NCCOCC(C)C)c2ccccc2[nH+]1 ZINC000132309767 260495855 /nfs/dbraw/zinc/49/58/55/260495855.db2.gz PBMQYCSGXSQKST-UHFFFAOYSA-N 1 0 258.365 3.628 10 0 CHAERO Cc1cccc([C@@H](C)[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000173693778 261168016 /nfs/dbraw/zinc/16/80/16/261168016.db2.gz BTEFOZBNMXHYIJ-MRXNPFEDSA-N 1 0 283.419 3.665 10 0 CHAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)c3cccc(C)c3)C2)c1 ZINC000173700009 261169712 /nfs/dbraw/zinc/16/97/12/261169712.db2.gz WKNUENNRTCGBMB-WMZOPIPTSA-N 1 0 283.419 3.898 10 0 CHAERO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000158977768 261175063 /nfs/dbraw/zinc/17/50/63/261175063.db2.gz FCDRROFBVCOLCH-GOEBONIOSA-N 1 0 299.418 3.554 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(Cl)s1)CC2 ZINC000160842855 261228364 /nfs/dbraw/zinc/22/83/64/261228364.db2.gz MZRLWHKBKISMCZ-BXUZGUMPSA-N 1 0 285.840 3.529 10 0 CHAERO CCc1nccn1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000106214411 261323412 /nfs/dbraw/zinc/32/34/12/261323412.db2.gz KYWIGKLRAXRZCB-SFHVURJKSA-N 1 0 297.446 3.715 10 0 CHAERO CCc1ccc([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000163873957 261333068 /nfs/dbraw/zinc/33/30/68/261333068.db2.gz OIVMDLMGKIAXEU-YOEHRIQHSA-N 1 0 286.419 3.796 10 0 CHAERO Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000182224303 261930609 /nfs/dbraw/zinc/93/06/09/261930609.db2.gz ZYBGKUNCZPTYME-OAVHHTNSSA-N 1 0 284.403 3.746 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC000183961275 262002702 /nfs/dbraw/zinc/00/27/02/262002702.db2.gz JRTIZMSWSMHCKD-NVXWUHKLSA-N 1 0 295.373 3.751 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(OC)c1)C(C)C ZINC000212737754 262173907 /nfs/dbraw/zinc/17/39/07/262173907.db2.gz OZHHFOKRBVTFAQ-SMDDNHRTSA-N 1 0 253.361 3.920 10 0 CHAERO CN(C)C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000120438311 262195124 /nfs/dbraw/zinc/19/51/24/262195124.db2.gz OQQRPUXMKTXEFR-PMACEKPBSA-N 1 0 294.442 3.957 10 0 CHAERO C[C@@H](COCc1ccccc1)Nc1cc[nH+]c2ccccc12 ZINC000390659373 262236240 /nfs/dbraw/zinc/23/62/40/262236240.db2.gz LQEGAZOGSSOIQT-HNNXBMFYSA-N 1 0 292.382 3.674 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCCc2sccc21 ZINC000061328040 262394022 /nfs/dbraw/zinc/39/40/22/262394022.db2.gz ONRYWDGPVBLQKE-HIFRSBDPSA-N 1 0 280.481 3.691 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1F)CC2 ZINC000093585821 265188229 /nfs/dbraw/zinc/18/82/29/265188229.db2.gz YJZWWWKUPGXRDL-CJNGLKHVSA-N 1 0 297.801 3.606 10 0 CHAERO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000097858309 265638387 /nfs/dbraw/zinc/63/83/87/265638387.db2.gz JPYHIVCVNIVHBS-KSZLIROESA-N 1 0 291.410 3.650 10 0 CHAERO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484001 266297428 /nfs/dbraw/zinc/29/74/28/266297428.db2.gz BJGPKKWSNDUEKV-QGZVFWFLSA-N 1 0 269.392 3.754 10 0 CHAERO CC(C)Oc1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114483087 266297486 /nfs/dbraw/zinc/29/74/86/266297486.db2.gz BDXLPMSTSKNNAL-SFHVURJKSA-N 1 0 299.418 3.924 10 0 CHAERO CC[C@@H](C)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000119588889 267346218 /nfs/dbraw/zinc/34/62/18/267346218.db2.gz OBEDWSLFPFICDK-YPMHNXCESA-N 1 0 252.427 3.677 10 0 CHAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)[C@@H]1CCCO1 ZINC000221990779 267863294 /nfs/dbraw/zinc/86/32/94/267863294.db2.gz QTJYFMKSJSWYAR-OMNBBPDLSA-N 1 0 259.393 3.782 10 0 CHAERO CC[C@H](C)[NH2+]CCOc1c(C)cc(Cl)cc1C ZINC000050499415 524003212 /nfs/dbraw/zinc/00/32/12/524003212.db2.gz RWIBNEGMBDEDBJ-LBPRGKRZSA-N 1 0 255.789 3.724 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc(CO)c1 ZINC000179094911 327799284 /nfs/dbraw/zinc/79/92/84/327799284.db2.gz ZYYMHRJVDUBJFJ-NEPJUHHUSA-N 1 0 261.390 3.652 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]CC2(C)CCCCCC2)o1 ZINC000394606913 327876385 /nfs/dbraw/zinc/87/63/85/327876385.db2.gz GHNVVKZLMYKDBV-ZDUSSCGKSA-N 1 0 250.386 3.994 10 0 CHAERO CC[C@H](c1ccc(F)cc1)N1CC[NH2+]Cc2ccccc21 ZINC000062818102 327895563 /nfs/dbraw/zinc/89/55/63/327895563.db2.gz QMTWWSFCNFICSH-QGZVFWFLSA-N 1 0 284.378 3.887 10 0 CHAERO COc1ccc([C@H]([NH2+][C@H]2C[C@@H]2C)c2ccccc2)cc1 ZINC000216423341 327990160 /nfs/dbraw/zinc/99/01/60/327990160.db2.gz NJRUKFLQLJEMRZ-DOPJRALCSA-N 1 0 267.372 3.783 10 0 CHAERO CSCCC[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000123615536 328454435 /nfs/dbraw/zinc/45/44/35/328454435.db2.gz XQQAXPXWANWJGQ-LBPRGKRZSA-N 1 0 271.813 3.506 10 0 CHAERO CCC[C@H]([NH3+])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000036872674 326830031 /nfs/dbraw/zinc/83/00/31/326830031.db2.gz BFHAIAHZMVSAOG-AWEZNQCLSA-N 1 0 284.359 3.545 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnccn2)c(C)c1 ZINC000070479214 326917327 /nfs/dbraw/zinc/91/73/27/326917327.db2.gz XUWJRFJRYNJFAI-ZIAGYGMSSA-N 1 0 255.365 3.505 10 0 CHAERO C[C@H](C[NH2+][C@H]1COc2ccccc21)c1ccccc1 ZINC000070529086 326917662 /nfs/dbraw/zinc/91/76/62/326917662.db2.gz UPGSLNDRBZFZDE-CJNGLKHVSA-N 1 0 253.345 3.513 10 0 CHAERO CC(C)c1ccc([C@@H](C)NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000262019016 327008073 /nfs/dbraw/zinc/00/80/73/327008073.db2.gz YJYAEWFJMXHKQG-XOKHGSTOSA-N 1 0 288.435 3.505 10 0 CHAERO COc1cc([C@H](C)[NH2+][C@@H]2COc3ccccc32)ccc1F ZINC000092825395 327103925 /nfs/dbraw/zinc/10/39/25/327103925.db2.gz DZVMSFXYULXTLJ-XHDPSFHLSA-N 1 0 287.334 3.619 10 0 CHAERO CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1=CCCC1 ZINC000308766958 332783903 /nfs/dbraw/zinc/78/39/03/332783903.db2.gz FKWNOHFDWVUWCA-RBSFLKMASA-N 1 0 263.425 3.526 10 0 CHAERO CCCn1ccc(C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000091013196 327165311 /nfs/dbraw/zinc/16/53/11/327165311.db2.gz SAQONRLSIGDERD-SFHVURJKSA-N 1 0 268.404 3.545 10 0 CHAERO CC[C@H]([NH2+]CCCc1nc2ccccc2n1C)C(C)C ZINC000090050720 327176700 /nfs/dbraw/zinc/17/67/00/327176700.db2.gz JCDQHMCGOHGWEJ-AWEZNQCLSA-N 1 0 273.424 3.530 10 0 CHAERO C[NH2+]Cc1cccc(NC(=O)c2csc3ccccc23)c1 ZINC000042891999 327242390 /nfs/dbraw/zinc/24/23/90/327242390.db2.gz LITUOLDXLLNCAT-UHFFFAOYSA-N 1 0 296.395 3.873 10 0 CHAERO C[C@H](CCC(C)(C)C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000560235275 327291762 /nfs/dbraw/zinc/29/17/62/327291762.db2.gz GMGYQFNJSAVPMO-MGPQQGTHSA-N 1 0 255.446 3.994 10 0 CHAERO CCC(CC)[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000180993900 327366261 /nfs/dbraw/zinc/36/62/61/327366261.db2.gz COHVYUCBQAFIHZ-GFCCVEGCSA-N 1 0 259.397 3.895 10 0 CHAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(Br)c1 ZINC000052274353 327575922 /nfs/dbraw/zinc/57/59/22/327575922.db2.gz NHTSHQVLCGRYMS-XDTLVQLUSA-N 1 0 268.198 3.898 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc2ccccc21 ZINC000051770254 328632538 /nfs/dbraw/zinc/63/25/38/328632538.db2.gz BRJDGWJJFIQMAS-VHSSKADRSA-N 1 0 269.388 3.794 10 0 CHAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(Cl)ccc1C ZINC000043357082 328787351 /nfs/dbraw/zinc/78/73/51/328787351.db2.gz INKPWNNBGIRXDU-LBPRGKRZSA-N 1 0 297.830 3.500 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC[C@@H](C)c1ccccc1 ZINC000194042880 329065248 /nfs/dbraw/zinc/06/52/48/329065248.db2.gz GTCSNTXQXTUFSZ-APWZRJJASA-N 1 0 297.446 3.850 10 0 CHAERO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccoc1 ZINC000178160426 329197023 /nfs/dbraw/zinc/19/70/23/329197023.db2.gz JKPKRZSSQBTBHM-AWEZNQCLSA-N 1 0 276.424 3.585 10 0 CHAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(Cl)s1 ZINC000178354851 329198999 /nfs/dbraw/zinc/19/89/99/329198999.db2.gz YEHLCJAOHLULPM-FMSQNYNMSA-N 1 0 293.819 3.710 10 0 CHAERO CCCCC[C@@H](CC)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000180297286 329219410 /nfs/dbraw/zinc/21/94/10/329219410.db2.gz DPIUFNLPJKWMQK-MRXNPFEDSA-N 1 0 294.483 3.680 10 0 CHAERO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2CC(C)C)s1 ZINC000181655173 329235398 /nfs/dbraw/zinc/23/53/98/329235398.db2.gz XUHNXAUYUJNIPU-IUODEOHRSA-N 1 0 295.496 3.531 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F)o1 ZINC000229604706 329356713 /nfs/dbraw/zinc/35/67/13/329356713.db2.gz XYDBFVFXAYYBGO-WCBMZHEXSA-N 1 0 264.291 3.755 10 0 CHAERO Cc1ccc2[nH+]ccc(N3CCC[C@H]3c3cnn(C)c3)c2c1 ZINC000185630082 329328082 /nfs/dbraw/zinc/32/80/82/329328082.db2.gz KNVRRROGKCTZBM-KRWDZBQOSA-N 1 0 292.386 3.618 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCSCC2)o1 ZINC000186934381 329350451 /nfs/dbraw/zinc/35/04/51/329350451.db2.gz GQOOCQMNDJNAKZ-NWDGAFQWSA-N 1 0 253.411 3.770 10 0 CHAERO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000187439386 329357640 /nfs/dbraw/zinc/35/76/40/329357640.db2.gz PFQJEJQEFHGVNG-KXBFYZLASA-N 1 0 298.430 3.806 10 0 CHAERO Cc1csc([C@@H]2CCC[N@H+](Cc3cncc(C)c3)C2)n1 ZINC000189830878 329389439 /nfs/dbraw/zinc/38/94/39/329389439.db2.gz URVPLUNGJUVTEZ-OAHLLOKOSA-N 1 0 287.432 3.535 10 0 CHAERO CCCn1ccc(C[NH2+]CCCCCSC)c1 ZINC000233383884 329399567 /nfs/dbraw/zinc/39/95/67/329399567.db2.gz PFGPBBZMYJRUTO-UHFFFAOYSA-N 1 0 254.443 3.521 10 0 CHAERO CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000193301431 329439866 /nfs/dbraw/zinc/43/98/66/329439866.db2.gz VDCGJOMNNGORRV-ZBFHGGJFSA-N 1 0 290.455 3.784 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000052274496 329656740 /nfs/dbraw/zinc/65/67/40/329656740.db2.gz MFTUCBLHHHVHPU-GGZOMVNGSA-N 1 0 253.798 3.875 10 0 CHAERO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000396645156 329694880 /nfs/dbraw/zinc/69/48/80/329694880.db2.gz OFNPFFFTOAUTGV-LEWSCRJBSA-N 1 0 296.867 3.607 10 0 CHAERO Cc1sc(C[NH2+]CC2CC2)nc1-c1ccccc1 ZINC000070939007 329856072 /nfs/dbraw/zinc/85/60/72/329856072.db2.gz BTGSYUDFYUNWTI-UHFFFAOYSA-N 1 0 258.390 3.618 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc(-c2ccncc2)c1 ZINC000247164051 329877125 /nfs/dbraw/zinc/87/71/25/329877125.db2.gz UHOXZHSYBVHBBC-YZVOILCLSA-N 1 0 296.414 3.967 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c(C)s1 ZINC000248911738 329902178 /nfs/dbraw/zinc/90/21/78/329902178.db2.gz VMHHDHDFSXHPTL-HZUKXOBISA-N 1 0 279.449 3.973 10 0 CHAERO CC[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC000396715221 330224261 /nfs/dbraw/zinc/22/42/61/330224261.db2.gz RBOHUFNVNFINDO-UGFHNGPFSA-N 1 0 266.816 3.521 10 0 CHAERO CCOC(=O)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045686344 330348541 /nfs/dbraw/zinc/34/85/41/330348541.db2.gz PWCMYTRIUWXHNR-CYBMUJFWSA-N 1 0 277.408 3.588 10 0 CHAERO Cc1ncc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)s1 ZINC000090400125 330392332 /nfs/dbraw/zinc/39/23/32/330392332.db2.gz NYAIZWSERKUCDE-MFKMUULPSA-N 1 0 274.389 3.626 10 0 CHAERO CCCCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085962988 330492805 /nfs/dbraw/zinc/49/28/05/330492805.db2.gz OIJSNEXSLHKJMC-WMZOPIPTSA-N 1 0 291.435 3.506 10 0 CHAERO COc1ccc([C@@H]([NH2+]C[C@@H]2CCCS2)C2CC2)cc1 ZINC000149669703 330577039 /nfs/dbraw/zinc/57/70/39/330577039.db2.gz PLINHTHKPXUGBV-HOTGVXAUSA-N 1 0 277.433 3.632 10 0 CHAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000153744357 330648073 /nfs/dbraw/zinc/64/80/73/330648073.db2.gz SZGUIRSJHBPILZ-ZMSDIMECSA-N 1 0 261.409 3.505 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163347626 331024156 /nfs/dbraw/zinc/02/41/56/331024156.db2.gz FHVHVKQKZBQLJT-QWHCGFSZSA-N 1 0 282.394 3.673 10 0 CHAERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1COc2ccccc21 ZINC000163432903 331039134 /nfs/dbraw/zinc/03/91/34/331039134.db2.gz RRIFAOOAGSTDSR-PWSUYJOCSA-N 1 0 273.298 3.831 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(Cl)c2cccnc12)[C@H]1CCCO1 ZINC000166403207 331307111 /nfs/dbraw/zinc/30/71/11/331307111.db2.gz GZZKKHPDMLLXGN-XHDPSFHLSA-N 1 0 290.794 3.545 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[C@@H](C)O1 ZINC000467443126 331419618 /nfs/dbraw/zinc/41/96/18/331419618.db2.gz IVBLPEPLVYEJED-UTJXIGIESA-N 1 0 265.441 3.748 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)C[C@@H](C)O1 ZINC000467445159 331419738 /nfs/dbraw/zinc/41/97/38/331419738.db2.gz JXSDHLJVXZWMIM-DSJMHWKBSA-N 1 0 267.457 3.994 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cc2ccccc2o1 ZINC000248180206 334296749 /nfs/dbraw/zinc/29/67/49/334296749.db2.gz WGUKVXLBMJRBNN-AEGPPILISA-N 1 0 273.376 3.635 10 0 CHAERO C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000400501009 332712143 /nfs/dbraw/zinc/71/21/43/332712143.db2.gz INFVRTONTXUDBH-DCAQKATOSA-N 1 0 287.234 3.642 10 0 CHAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C)cc1 ZINC000177411529 333058521 /nfs/dbraw/zinc/05/85/21/333058521.db2.gz QVAUBUDCZOXRGG-GJZGRUSLSA-N 1 0 290.451 3.716 10 0 CHAERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000177410995 333058567 /nfs/dbraw/zinc/05/85/67/333058567.db2.gz CVHANIFLYUFCIZ-CABCVRRESA-N 1 0 298.430 3.746 10 0 CHAERO CCCCCc1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1 ZINC000087531368 333084172 /nfs/dbraw/zinc/08/41/72/333084172.db2.gz CGKURIJNTMOLPV-MRXNPFEDSA-N 1 0 276.424 3.589 10 0 CHAERO CC/C=C/CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000184721175 333131631 /nfs/dbraw/zinc/13/16/31/333131631.db2.gz VUECFRZNIGNNIQ-KTRBRXNASA-N 1 0 263.381 3.711 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000219254083 333145385 /nfs/dbraw/zinc/14/53/85/333145385.db2.gz MSYGRQXVIGUDRG-YUTCNCBUSA-N 1 0 263.381 3.543 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC(C)(C)C(C)C)c1C ZINC000219273472 333145938 /nfs/dbraw/zinc/14/59/38/333145938.db2.gz AQAICKABZSXJRS-LBPRGKRZSA-N 1 0 265.445 3.853 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)C12CCOCC2 ZINC000186356683 333159154 /nfs/dbraw/zinc/15/91/54/333159154.db2.gz IVHXHWFSJARTBO-HZPDHXFCSA-N 1 0 295.467 3.519 10 0 CHAERO CCc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000189220910 333186199 /nfs/dbraw/zinc/18/61/99/333186199.db2.gz NLQMINAERBVYME-GOSISDBHSA-N 1 0 283.419 3.591 10 0 CHAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCOCC(F)F)o1 ZINC000189391552 333191712 /nfs/dbraw/zinc/19/17/12/333191712.db2.gz QGXZUBKUOSGGBB-CYBMUJFWSA-N 1 0 287.350 3.651 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](SC)C2)c1C ZINC000223722280 333211297 /nfs/dbraw/zinc/21/12/97/333211297.db2.gz YFAVFFCMYLWJNG-TUKIKUTGSA-N 1 0 295.496 3.845 10 0 CHAERO C[C@H](CC[NH+]1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000191072843 333214684 /nfs/dbraw/zinc/21/46/84/333214684.db2.gz HNLDQPJGMLKFFT-MRXNPFEDSA-N 1 0 297.446 3.793 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000224983991 333228301 /nfs/dbraw/zinc/22/83/01/333228301.db2.gz GCEKWJGGOLWWGW-QWHCGFSZSA-N 1 0 284.394 3.592 10 0 CHAERO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227568594 333285931 /nfs/dbraw/zinc/28/59/31/333285931.db2.gz OLQWMIIHCKDWPI-INIZCTEOSA-N 1 0 289.463 3.805 10 0 CHAERO C[C@@H](O)CCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000228029117 333293154 /nfs/dbraw/zinc/29/31/54/333293154.db2.gz ZCTVPWOQJJSTIT-RKDXNWHRSA-N 1 0 294.197 3.944 10 0 CHAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000229195349 333301450 /nfs/dbraw/zinc/30/14/50/333301450.db2.gz BFIOSESBYIEHNO-YGRLFVJLSA-N 1 0 288.218 3.634 10 0 CHAERO CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230659307 333319865 /nfs/dbraw/zinc/31/98/65/333319865.db2.gz RIGMKAXKXHTURU-BPLDGKMQSA-N 1 0 255.446 3.588 10 0 CHAERO OC[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000231293591 333324367 /nfs/dbraw/zinc/32/43/67/333324367.db2.gz LXGWXHIATOUIGL-ZBFHGGJFSA-N 1 0 265.441 3.630 10 0 CHAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000231293588 333324368 /nfs/dbraw/zinc/32/43/68/333324368.db2.gz LXGWXHIATOUIGL-HOCLYGCPSA-N 1 0 265.441 3.630 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2CCCC2)cc1F ZINC000232133314 333334322 /nfs/dbraw/zinc/33/43/22/333334322.db2.gz VWBXNVQZVLBGCH-CJNGLKHVSA-N 1 0 279.399 3.726 10 0 CHAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000233415611 333352170 /nfs/dbraw/zinc/35/21/70/333352170.db2.gz KMUMOIVRAMEJEZ-CABZTGNLSA-N 1 0 286.188 3.866 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)C1CC1 ZINC000235208537 333366677 /nfs/dbraw/zinc/36/66/77/333366677.db2.gz KCSHCEKJNAKOFH-MRVPVSSYSA-N 1 0 288.616 3.991 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235298452 333367432 /nfs/dbraw/zinc/36/74/32/333367432.db2.gz UETPPFCNJRPDSA-HQJQHLMTSA-N 1 0 274.589 3.601 10 0 CHAERO Cc1ncc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 ZINC000398030779 333431638 /nfs/dbraw/zinc/43/16/38/333431638.db2.gz PNJUINDGPOJLMA-BYCMXARLSA-N 1 0 250.386 3.533 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000126897664 333613695 /nfs/dbraw/zinc/61/36/95/333613695.db2.gz OTIGJOLUMCHQAR-NZXMKCKXSA-N 1 0 256.176 3.979 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069381456 333760002 /nfs/dbraw/zinc/76/00/02/333760002.db2.gz VEFLYWQVGQVIEI-BFHYXJOUSA-N 1 0 294.405 3.673 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000070348753 333807899 /nfs/dbraw/zinc/80/78/99/333807899.db2.gz ZLBMXBXTSANDAX-MJVIPROJSA-N 1 0 298.224 3.667 10 0 CHAERO COCCOCCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000130206344 333823659 /nfs/dbraw/zinc/82/36/59/333823659.db2.gz PHSOHCOATNPCFF-HOTGVXAUSA-N 1 0 285.472 3.624 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCCC2(C)C)C[C@@H](C)O1 ZINC000545982239 334009930 /nfs/dbraw/zinc/00/99/30/334009930.db2.gz RVMYOGPZHKAZAW-UMVBOHGHSA-N 1 0 253.430 3.748 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@H]2CCCCC2(C)C)C[C@@H](C)O1 ZINC000545982238 334010234 /nfs/dbraw/zinc/01/02/34/334010234.db2.gz RVMYOGPZHKAZAW-NFAWXSAZSA-N 1 0 253.430 3.748 10 0 CHAERO CC[C@@H](C)C[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000133568077 334045251 /nfs/dbraw/zinc/04/52/51/334045251.db2.gz DIXBAXVBPYTVEO-CHWSQXEVSA-N 1 0 259.397 3.753 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134243498 334085323 /nfs/dbraw/zinc/08/53/23/334085323.db2.gz XCDATBYOSRRTLY-MVWJERBFSA-N 1 0 282.453 3.577 10 0 CHAERO CCC(CC)C[NH2+]Cc1cc2c(cc1SC)OCCO2 ZINC000135179694 334119197 /nfs/dbraw/zinc/11/91/97/334119197.db2.gz WIKWSQXFBFXDFK-UHFFFAOYSA-N 1 0 295.448 3.706 10 0 CHAERO COC(=O)c1coc(C[NH2+][C@H](C)c2ccc(C)cc2C)c1 ZINC000135715298 334136927 /nfs/dbraw/zinc/13/69/27/334136927.db2.gz CGXXRIOWHOIFDN-CYBMUJFWSA-N 1 0 287.359 3.534 10 0 CHAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000245225010 334185240 /nfs/dbraw/zinc/18/52/40/334185240.db2.gz KJLSRKPBOFLTRI-ZNMIVQPWSA-N 1 0 290.451 3.593 10 0 CHAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)C[C@H]1C ZINC000245668864 334211443 /nfs/dbraw/zinc/21/14/43/334211443.db2.gz BZFSSGJIQDNWBW-REBRKWNGSA-N 1 0 293.407 3.607 10 0 CHAERO Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000246138717 334235981 /nfs/dbraw/zinc/23/59/81/334235981.db2.gz NJFMGKZONQSLSR-IAGOWNOFSA-N 1 0 295.430 3.885 10 0 CHAERO CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000246152004 334236653 /nfs/dbraw/zinc/23/66/53/334236653.db2.gz CGVWVZKZYADEFI-RBSFLKMASA-N 1 0 255.446 3.590 10 0 CHAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000246812914 334269856 /nfs/dbraw/zinc/26/98/56/334269856.db2.gz ARLBQEPHTNVVRD-SDDRHHMPSA-N 1 0 286.872 3.781 10 0 CHAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000247884276 334291211 /nfs/dbraw/zinc/29/12/11/334291211.db2.gz CLRRQAHUTUFNOB-OFQRWUPVSA-N 1 0 286.419 3.812 10 0 CHAERO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247998129 334293249 /nfs/dbraw/zinc/29/32/49/334293249.db2.gz KBEBOAQRMLWNKB-KEYYUXOJSA-N 1 0 277.383 3.514 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2(C)C)C12CCOCC2 ZINC000249016579 334324563 /nfs/dbraw/zinc/32/45/63/334324563.db2.gz PRYNMGUDCVPYBQ-ARFHVFGLSA-N 1 0 295.467 3.519 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](CC)C2)C12CCOCC2 ZINC000249043255 334325662 /nfs/dbraw/zinc/32/56/62/334325662.db2.gz VNFQMGCYXQFCOZ-LTIDMASMSA-N 1 0 295.467 3.519 10 0 CHAERO CC(C)c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000250577790 334346338 /nfs/dbraw/zinc/34/63/38/334346338.db2.gz PWQLQLPEGADPMP-RBUKOAKNSA-N 1 0 287.447 3.937 10 0 CHAERO C[C@H](c1ccc(Cl)cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251512460 334362568 /nfs/dbraw/zinc/36/25/68/334362568.db2.gz ITVXQRNLXRCRSO-YPMHNXCESA-N 1 0 299.245 3.834 10 0 CHAERO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000251751939 334368732 /nfs/dbraw/zinc/36/87/32/334368732.db2.gz LKCROBBMJQANQV-FMKPAKJESA-N 1 0 286.419 3.653 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)c2ccccc21 ZINC000251911672 334371734 /nfs/dbraw/zinc/37/17/34/334371734.db2.gz UAPSWNYPRBXPCP-CPUCHLNUSA-N 1 0 259.393 3.641 10 0 CHAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000251951534 334372485 /nfs/dbraw/zinc/37/24/85/334372485.db2.gz WWIULCFOIFVHKI-JJRVBVJISA-N 1 0 261.409 3.622 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000252725549 334386715 /nfs/dbraw/zinc/38/67/15/334386715.db2.gz OTIGJOLUMCHQAR-MKCWBWRRSA-N 1 0 256.176 3.979 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c2ccccc12 ZINC000165244136 334893553 /nfs/dbraw/zinc/89/35/53/334893553.db2.gz HZXDXIJTQVGIBB-VHSSKADRSA-N 1 0 299.414 3.803 10 0 CHAERO Cc1ccc(CCC[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000181850461 335788305 /nfs/dbraw/zinc/78/83/05/335788305.db2.gz XBKXZEMVIDUNGE-UHFFFAOYSA-N 1 0 297.446 3.536 10 0 CHAERO CCC1CCC([N@H+](Cc2nnc(C)n2CC)C2CC2)CC1 ZINC000195089928 336044963 /nfs/dbraw/zinc/04/49/63/336044963.db2.gz KTMJWJJVYULICJ-UHFFFAOYSA-N 1 0 290.455 3.540 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000381198314 336054652 /nfs/dbraw/zinc/05/46/52/336054652.db2.gz AOHBPMRGZUQVHT-RNCFNFMXSA-N 1 0 258.192 3.924 10 0 CHAERO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccsc1 ZINC000381447726 336063913 /nfs/dbraw/zinc/06/39/13/336063913.db2.gz GHRHESNWSFCONR-QMMMGPOBSA-N 1 0 251.317 3.987 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC000385264287 336143266 /nfs/dbraw/zinc/14/32/66/336143266.db2.gz YYZTWSDTRLDPPC-FGTMMUONSA-N 1 0 277.452 3.892 10 0 CHAERO CSCC1CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000385444153 336146404 /nfs/dbraw/zinc/14/64/04/336146404.db2.gz RLDDMIVUVZGJLR-PIMMBPRGSA-N 1 0 277.433 3.632 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@@H]1C ZINC000385966437 336163579 /nfs/dbraw/zinc/16/35/79/336163579.db2.gz ONOZFOVZWAXALP-UXOAXIEHSA-N 1 0 259.393 3.923 10 0 CHAERO CC(C)[NH2+]C[C@@]1(OC2CCCC2)CCC[C@@H](C)C1 ZINC000050504142 519724353 /nfs/dbraw/zinc/72/43/53/519724353.db2.gz BQNZWXYVNOYZJE-GDBMZVCRSA-N 1 0 253.430 3.893 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000049195599 519793990 /nfs/dbraw/zinc/79/39/90/519793990.db2.gz CBLWCSKXTABELY-SWLSCSKDSA-N 1 0 268.832 3.577 10 0 CHAERO CCC[NH2+]CC[C@H](C)N(C)Cc1ccc(Cl)s1 ZINC000052509261 519919382 /nfs/dbraw/zinc/91/93/82/519919382.db2.gz SGYIAYLETFSPGO-NSHDSACASA-N 1 0 274.861 3.612 10 0 CHAERO CCC[NH2+]C[C@H]1CCN(c2cc(Cl)ccc2Cl)C1 ZINC000053010534 519935746 /nfs/dbraw/zinc/93/57/46/519935746.db2.gz SUOSNSHXBILHEF-LLVKDONJSA-N 1 0 287.234 3.819 10 0 CHAERO CCC[NH2+]C[C@H]1C[C@H]1c1cc(Br)ccc1F ZINC000054592251 519939749 /nfs/dbraw/zinc/93/97/49/519939749.db2.gz UFVJKLVTTZVBGM-MWLCHTKSSA-N 1 0 286.188 3.691 10 0 CHAERO CCC[NH2+]Cc1cc(COCCC(C)C)c(C)o1 ZINC000052624798 519944553 /nfs/dbraw/zinc/94/45/53/519944553.db2.gz KPSXOSKCFFGSBR-UHFFFAOYSA-N 1 0 253.386 3.650 10 0 CHAERO CCC[NH2+]Cc1cnc(-c2ccc(OC)c(C)c2)s1 ZINC000050597327 519962016 /nfs/dbraw/zinc/96/20/16/519962016.db2.gz QIPSGEXMLZROMF-UHFFFAOYSA-N 1 0 276.405 3.627 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCCC2)nc1C(C)(C)C ZINC000054995153 519975158 /nfs/dbraw/zinc/97/51/58/519975158.db2.gz JFEXMUKBXSYAIU-UHFFFAOYSA-N 1 0 281.469 3.540 10 0 CHAERO CCC[NH2+]Cc1sc(N(CCC)CCC)nc1C ZINC000054995907 519975226 /nfs/dbraw/zinc/97/52/26/519975226.db2.gz ONRVJFFQZNLXGB-UHFFFAOYSA-N 1 0 269.458 3.578 10 0 CHAERO CCC[NH2+]Cc1sc(N(CC)CC)nc1C(C)(C)C ZINC000054995237 519975721 /nfs/dbraw/zinc/97/57/21/519975721.db2.gz RLOBFNPEVBPPEE-UHFFFAOYSA-N 1 0 283.485 3.786 10 0 CHAERO CCC[NH2+]Cc1sc(N(C)[C@H](C)C(C)(C)C)nc1C ZINC000054998624 519975802 /nfs/dbraw/zinc/97/58/02/519975802.db2.gz UZGAXKOKOFBQAA-GFCCVEGCSA-N 1 0 283.485 3.822 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccc(F)c(C)c2)nc1C ZINC000052330268 520031620 /nfs/dbraw/zinc/03/16/20/520031620.db2.gz MYNJWPXLVVVYLM-UHFFFAOYSA-N 1 0 264.369 3.676 10 0 CHAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[C@@H]1CCCO1 ZINC000054631081 520097010 /nfs/dbraw/zinc/09/70/10/520097010.db2.gz DFKBTTMFZFLEBV-NCOADZHNSA-N 1 0 267.457 3.996 10 0 CHAERO CCC[NH2+][C@H](c1ccc(CC)s1)[C@@H]1CCCCO1 ZINC000050962380 520089144 /nfs/dbraw/zinc/08/91/44/520089144.db2.gz GNYOAOFNGWBNAP-ZFWWWQNUSA-N 1 0 267.438 3.920 10 0 CHAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)CC(F)(F)F ZINC000049347394 520104775 /nfs/dbraw/zinc/10/47/75/520104775.db2.gz JKUVDVUOXYKVCJ-QMMMGPOBSA-N 1 0 283.696 3.952 10 0 CHAERO CC[NH2+][C@@H](c1cccc(F)c1)c1cc(C)ccc1F ZINC000055205366 520114380 /nfs/dbraw/zinc/11/43/80/520114380.db2.gz VYBHHIHCIYRQOY-INIZCTEOSA-N 1 0 261.315 3.972 10 0 CHAERO CC[NH2+][C@@H]1CCCC[C@H]1CCCOCC(F)(F)F ZINC000049312866 520116320 /nfs/dbraw/zinc/11/63/20/520116320.db2.gz MYWMJENIBVHXQI-NWDGAFQWSA-N 1 0 267.335 3.514 10 0 CHAERO CCCN(c1nc2c(s1)[C@@H]([NH2+]CC)CCC2)C(C)C ZINC000054902783 521697731 /nfs/dbraw/zinc/69/77/31/521697731.db2.gz VDBBCJWVGIVAAK-LBPRGKRZSA-N 1 0 281.469 3.755 10 0 CHAERO COCC[C@H](C[NH2+]C(C)C)Cc1ccc(Cl)cc1 ZINC000052975344 521926302 /nfs/dbraw/zinc/92/63/02/521926302.db2.gz GVNGEFFHAOWHPU-AWEZNQCLSA-N 1 0 269.816 3.533 10 0 CHAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)C1CCCCC1 ZINC000054602304 521953418 /nfs/dbraw/zinc/95/34/18/521953418.db2.gz AZXMGOKISXGTSU-LNRIEFBSSA-N 1 0 264.457 3.560 10 0 CHAERO C[NH2+]Cc1nc(CO[C@@H]2C[C@@H](C)CC(C)(C)C2)cs1 ZINC000052629089 522151889 /nfs/dbraw/zinc/15/18/89/522151889.db2.gz FMMKTQROGGQUFX-DGCLKSJQSA-N 1 0 282.453 3.594 10 0 CHAERO C[NH2+]Cc1occc1COc1c(C)cc(Cl)cc1C ZINC000052651385 522164618 /nfs/dbraw/zinc/16/46/18/522164618.db2.gz JCDCUUJKNUEAAN-UHFFFAOYSA-N 1 0 279.767 3.848 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(Cl)cc1 ZINC000083493789 535825037 /nfs/dbraw/zinc/82/50/37/535825037.db2.gz AESFAMDHGFAROX-UKRRQHHQSA-N 1 0 266.816 3.553 10 0 CHAERO CC(C)c1ccccc1OCc1ccc(C[NH3+])cc1 ZINC000011945369 517489485 /nfs/dbraw/zinc/48/94/85/517489485.db2.gz DYWRMXPMZCYDJX-UHFFFAOYSA-N 1 0 255.361 3.848 10 0 CHAERO COC(C)(C)C[C@@H](C)[NH2+]CCSc1ccccc1 ZINC000037904102 518035467 /nfs/dbraw/zinc/03/54/67/518035467.db2.gz ZGAAJIUPCQKROT-CYBMUJFWSA-N 1 0 267.438 3.572 10 0 CHAERO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000055029615 518759009 /nfs/dbraw/zinc/75/90/09/518759009.db2.gz YFJFLYWDMQQOLQ-QGZVFWFLSA-N 1 0 269.388 3.775 10 0 CHAERO CC(C)(C)[C@H]1CCc2nc(C3([NH3+])CCC3)sc2C1 ZINC000061713553 518979677 /nfs/dbraw/zinc/97/96/77/518979677.db2.gz IGLUTFUZKHECLU-JTQLQIEISA-N 1 0 264.438 3.632 10 0 CHAERO CC(C)C[C@@H]1CNC(C)(C)C[N@@H+]1CCCc1ccccc1 ZINC000062705131 519270484 /nfs/dbraw/zinc/27/04/84/519270484.db2.gz CXWRAKUTBGJCNQ-GOSISDBHSA-N 1 0 288.479 3.718 10 0 CHAERO CC(C)C[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccccc1Cl ZINC000062708899 519271101 /nfs/dbraw/zinc/27/11/01/519271101.db2.gz LSMZUAHTARMTHR-OAHLLOKOSA-N 1 0 294.870 3.939 10 0 CHAERO CC(C)C[C@H]1[NH2+]CC[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054929077 519419439 /nfs/dbraw/zinc/41/94/39/519419439.db2.gz PDMHBIGGTUDGDB-ZIAGYGMSSA-N 1 0 269.335 3.780 10 0 CHAERO CC(C)[NH2+]CCCc1ccc(F)c(Br)c1 ZINC000052949272 519721438 /nfs/dbraw/zinc/72/14/38/519721438.db2.gz AVRGLSALRGYNFW-UHFFFAOYSA-N 1 0 274.177 3.519 10 0 CHAERO CC(C)[NH2+]C[C@@H](OCC1CC1)c1ccccc1Cl ZINC000050485232 519722971 /nfs/dbraw/zinc/72/29/71/519722971.db2.gz UCPBCVSLEDOWQA-OAHLLOKOSA-N 1 0 267.800 3.806 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1 ZINC000053010536 519723437 /nfs/dbraw/zinc/72/34/37/519723437.db2.gz HIDAKKCWNWXYAR-NSHDSACASA-N 1 0 287.234 3.818 10 0 CHAERO CC(C)C[NH2+]CC1(c2c(F)cccc2Cl)CC1 ZINC000053738237 519743155 /nfs/dbraw/zinc/74/31/55/519743155.db2.gz NGXRBDTWKLTMKD-UHFFFAOYSA-N 1 0 255.764 3.756 10 0 CHAERO CC(C)C[NH2+]CC1(Cc2cscn2)CCCCC1 ZINC000054655175 519743363 /nfs/dbraw/zinc/74/33/63/519743363.db2.gz AZARCXUTSRGXRG-UHFFFAOYSA-N 1 0 266.454 3.882 10 0 CHAERO CC(C)C[NH2+]C[C@@H](C)Oc1ccc2ccccc2c1 ZINC000052677367 519744812 /nfs/dbraw/zinc/74/48/12/519744812.db2.gz NWRYYNMGSWCQDQ-CQSZACIVSA-N 1 0 257.377 3.853 10 0 CHAERO CC(C)Oc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070175 519779976 /nfs/dbraw/zinc/77/99/76/519779976.db2.gz FOJHNLHPHOVASS-QGZVFWFLSA-N 1 0 283.371 3.697 10 0 CHAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)Oc1cccc(F)c1 ZINC000052675487 519794888 /nfs/dbraw/zinc/79/48/88/519794888.db2.gz CQJYHZQMTDALSR-CQSZACIVSA-N 1 0 253.361 3.617 10 0 CHAERO CC(C)[C@@H]1CN(Cc2ccccc2)c2ccccc2C[NH2+]1 ZINC000062671267 519804535 /nfs/dbraw/zinc/80/45/35/519804535.db2.gz HBEYQXSECIJBRM-SFHVURJKSA-N 1 0 280.415 3.821 10 0 CHAERO CC(C)[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049556102 519821419 /nfs/dbraw/zinc/82/14/19/519821419.db2.gz XGADWQQMNKMLTC-IPYPFGDCSA-N 1 0 267.438 3.728 10 0 CHAERO CC(C)[C@H]1CN(Cc2ccc(Cl)cc2)[C@@H](C(C)C)C[NH2+]1 ZINC000062708915 519826846 /nfs/dbraw/zinc/82/68/46/519826846.db2.gz GMEHMNFWDHCHBB-IAGOWNOFSA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)c1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)c(C(C)C)c1 ZINC000163996276 519837597 /nfs/dbraw/zinc/83/75/97/519837597.db2.gz PHXXSUFFLPTCPY-CYBMUJFWSA-N 1 0 288.435 3.727 10 0 CHAERO CCC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062671215 519864658 /nfs/dbraw/zinc/86/46/58/519864658.db2.gz FMOQCAAHMQYKFB-RTBURBONSA-N 1 0 280.415 3.784 10 0 CHAERO CCCC1CCC(C[NH2+]C2CC2)(OCC2CC2)CC1 ZINC000050485585 519895460 /nfs/dbraw/zinc/89/54/60/519895460.db2.gz BWIQPBPZGRJQRO-UHFFFAOYSA-N 1 0 265.441 3.894 10 0 CHAERO CC[NH2+]CCCCO[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000052625204 519919386 /nfs/dbraw/zinc/91/93/86/519919386.db2.gz FPZFNRUTOKMKAD-OAGGEKHMSA-N 1 0 255.446 3.854 10 0 CHAERO CCC[NH2+]C[C@@H](CC)Oc1ccc(OCCC)cc1 ZINC000052695140 519921224 /nfs/dbraw/zinc/92/12/24/519921224.db2.gz PJUHMWUEPXPPMK-CQSZACIVSA-N 1 0 265.397 3.632 10 0 CHAERO CCC[NH2+]C[C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C1 ZINC000053010729 519922861 /nfs/dbraw/zinc/92/28/61/519922861.db2.gz PLYBMUZEELBIPI-NSHDSACASA-N 1 0 287.234 3.819 10 0 CHAERO CCC[NH2+]C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000053011145 519923103 /nfs/dbraw/zinc/92/31/03/519923103.db2.gz DUZDTAGFXACUHN-LBPRGKRZSA-N 1 0 286.341 3.531 10 0 CHAERO CCC[NH2+]C[C@@]1(OCC(F)(F)F)CCC[C@@H](C)C1 ZINC000050504888 519930106 /nfs/dbraw/zinc/93/01/06/519930106.db2.gz HNBAWDABDBKEDC-VXGBXAGGSA-N 1 0 267.335 3.514 10 0 CHAERO CCC[NH2+]C[C@H](CC)N(Cc1cccs1)C(C)C ZINC000052544934 519931127 /nfs/dbraw/zinc/93/11/27/519931127.db2.gz OJASJWFHLGWYSL-AWEZNQCLSA-N 1 0 268.470 3.737 10 0 CHAERO CC[NH2+]C[C@@H](OC(C)(C)C)c1ccc(Cl)cc1 ZINC000050483778 519946111 /nfs/dbraw/zinc/94/61/11/519946111.db2.gz NPUDKTVCYHQBOE-CYBMUJFWSA-N 1 0 255.789 3.806 10 0 CHAERO CC[NH2+]C[C@@H](OCCC(C)C)c1ccc(F)cc1 ZINC000050493411 519947913 /nfs/dbraw/zinc/94/79/13/519947913.db2.gz YBJXHRJQKFGVLK-OAHLLOKOSA-N 1 0 253.361 3.539 10 0 CHAERO CC[NH2+]C[C@@H](Oc1cc(C)ccc1Cl)C(C)C ZINC000052697208 519948742 /nfs/dbraw/zinc/94/87/42/519948742.db2.gz NPXVLHHPNAZDPY-CQSZACIVSA-N 1 0 255.789 3.661 10 0 CHAERO CC[NH2+]C[C@@H](c1ccccc1)N(C)[C@@H](C)C(C)(C)C ZINC000052504609 519949220 /nfs/dbraw/zinc/94/92/20/519949220.db2.gz WLYZOZXYRLSHOL-HOCLYGCPSA-N 1 0 262.441 3.704 10 0 CHAERO CC[NH2+]C[C@@H]1CCN(c2c(Cl)ccc(C)c2Cl)C1 ZINC000053011947 519950609 /nfs/dbraw/zinc/95/06/09/519950609.db2.gz QPYTTZQGBTZLAK-NSHDSACASA-N 1 0 287.234 3.738 10 0 CHAERO CCC[NH2+]Cc1cccc(OC)c1OC[C@@H](C)CC ZINC000050423860 519954168 /nfs/dbraw/zinc/95/41/68/519954168.db2.gz FMTSPXQFFPLEDM-ZDUSSCGKSA-N 1 0 265.397 3.620 10 0 CHAERO CCC[NH2+]Cc1occc1COc1cccc(C)c1 ZINC000052666835 519973468 /nfs/dbraw/zinc/97/34/68/519973468.db2.gz MUVZGMIWYRKRAW-UHFFFAOYSA-N 1 0 259.349 3.667 10 0 CHAERO CCC[NH2+][C@@H](C)c1cnc(-c2cccs2)nc1C ZINC000054963170 519991546 /nfs/dbraw/zinc/99/15/46/519991546.db2.gz XBRHYKFHTOKJKU-JTQLQIEISA-N 1 0 261.394 3.574 10 0 CHAERO CCC[NH2+][C@@H](CC)c1ccc(-c2cncnc2)cc1 ZINC000052886640 519993699 /nfs/dbraw/zinc/99/36/99/519993699.db2.gz XWKCTNGVNUOSBH-INIZCTEOSA-N 1 0 255.365 3.594 10 0 CHAERO CC[NH2+]Cc1ccc(CO[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000052632097 519998276 /nfs/dbraw/zinc/99/82/76/519998276.db2.gz NRLFOUHJBNIKAP-RHSMWYFYSA-N 1 0 261.409 3.891 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccncc1)c1cccc(C)c1 ZINC000053136165 520013869 /nfs/dbraw/zinc/01/38/69/520013869.db2.gz QQMIAEOPXBLLEM-KRWDZBQOSA-N 1 0 254.377 3.673 10 0 CHAERO CC[NH2+]Cc1cnc(-c2cccc(Cl)c2F)s1 ZINC000062606451 520014978 /nfs/dbraw/zinc/01/49/78/520014978.db2.gz WEEINWXMAFJVFU-UHFFFAOYSA-N 1 0 270.760 3.712 10 0 CHAERO CCC[NH2+][C@@H](Cc1csc(C)n1)C[C@@H](C)CC ZINC000055296262 520015805 /nfs/dbraw/zinc/01/58/05/520015805.db2.gz UXYLQQCHJFNZND-WCQYABFASA-N 1 0 254.443 3.798 10 0 CHAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)Cc1ccccc1 ZINC000055269265 520016248 /nfs/dbraw/zinc/01/62/48/520016248.db2.gz GDWIZPBIIFBCEZ-OAHLLOKOSA-N 1 0 274.433 3.605 10 0 CHAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)c1ccc(F)cc1 ZINC000055269327 520016262 /nfs/dbraw/zinc/01/62/62/520016262.db2.gz MGJSKVSMFCTPSY-AWEZNQCLSA-N 1 0 278.396 3.874 10 0 CHAERO CCC[NH2+][C@@H](c1nccs1)c1cc(C)ccc1C ZINC000049671020 520020609 /nfs/dbraw/zinc/02/06/09/520020609.db2.gz PDSMKGHIRJDGTA-CQSZACIVSA-N 1 0 260.406 3.849 10 0 CHAERO CCC[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000049711691 520024901 /nfs/dbraw/zinc/02/49/01/520024901.db2.gz YEESGUHSCOZGFV-SWLSCSKDSA-N 1 0 266.816 3.554 10 0 CHAERO CCOCC[C@H](C[NH2+]C1CC1)Cc1ccccc1Cl ZINC000052979719 520066380 /nfs/dbraw/zinc/06/63/80/520066380.db2.gz BNYYYBYGLSOBQV-ZDUSSCGKSA-N 1 0 281.827 3.677 10 0 CHAERO CCOCC[C@]1(C[NH2+]C(C)(C)C)C[C@H]2CC[C@@H]1C2 ZINC000054639184 520069180 /nfs/dbraw/zinc/06/91/80/520069180.db2.gz VENLCBQZUUWQIO-SQWLQELKSA-N 1 0 253.430 3.608 10 0 CHAERO CC[NH2+][C@@H](C)Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000062770486 520072580 /nfs/dbraw/zinc/07/25/80/520072580.db2.gz UWKIGUVUUHZNAP-LBPRGKRZSA-N 1 0 261.340 3.935 10 0 CHAERO CCCCCC[N@@H+]1CC(C)(C)NC[C@H]1CC(C)C ZINC000062625629 520077647 /nfs/dbraw/zinc/07/76/47/520077647.db2.gz FUVYHBJXELWQFN-OAHLLOKOSA-N 1 0 254.462 3.665 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(Sc2nnc(C)o2)c(Cl)c1 ZINC000061700401 520078172 /nfs/dbraw/zinc/07/81/72/520078172.db2.gz UDDQWACPFWFBRI-QMMMGPOBSA-N 1 0 297.811 3.853 10 0 CHAERO CCC[NH2+][C@H](CSC)c1ccccc1OC(F)(F)F ZINC000055229932 520084939 /nfs/dbraw/zinc/08/49/39/520084939.db2.gz ZSKCKGBWNQQNBB-LLVKDONJSA-N 1 0 293.354 3.989 10 0 CHAERO CCC[NH2+][C@H](CSC)Cc1cc(C)cc(C)c1 ZINC000054496868 520085129 /nfs/dbraw/zinc/08/51/29/520085129.db2.gz QRJYLFFQHYZXFU-HNNXBMFYSA-N 1 0 251.439 3.577 10 0 CHAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000062237553 520087536 /nfs/dbraw/zinc/08/75/36/520087536.db2.gz KPHYEINDBISBRL-GDBMZVCRSA-N 1 0 281.827 3.677 10 0 CHAERO CCC[NH2+][C@H](c1cncc(F)c1)C1CCCCC1 ZINC000049576418 520090232 /nfs/dbraw/zinc/09/02/32/520090232.db2.gz UGBAHKRYECDPRN-HNNXBMFYSA-N 1 0 250.361 3.842 10 0 CHAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[C@@H]1CCCO1 ZINC000054631078 520095978 /nfs/dbraw/zinc/09/59/78/520095978.db2.gz DFKBTTMFZFLEBV-YVSFHVDLSA-N 1 0 267.457 3.996 10 0 CHAERO CC[NH2+][C@@H](Cc1cc(C)ccc1OC)C1CCCC1 ZINC000050706874 520103711 /nfs/dbraw/zinc/10/37/11/520103711.db2.gz DWTJTKPCTHXERH-INIZCTEOSA-N 1 0 261.409 3.714 10 0 CHAERO CC[NH2+][C@@H](Cc1cccs1)Cc1cccc(F)c1 ZINC000052900635 520106609 /nfs/dbraw/zinc/10/66/09/520106609.db2.gz FMUYDYMFMOYADG-CQSZACIVSA-N 1 0 263.381 3.651 10 0 CHAERO CC[NH2+][C@@H](c1ccc(CC)s1)[C@H]1CCCCO1 ZINC000050961883 520109863 /nfs/dbraw/zinc/10/98/63/520109863.db2.gz RNSBRQLHQSQSTE-TZMCWYRMSA-N 1 0 253.411 3.530 10 0 CHAERO CC[NH2+][C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000049711908 520119995 /nfs/dbraw/zinc/11/99/95/520119995.db2.gz GRAWANCKESQMSO-IINYFYTJSA-N 1 0 287.234 3.818 10 0 CHAERO CCCNc1c2c([nH+]c3ccc(OC)cc31)CCC2 ZINC000050870842 520126769 /nfs/dbraw/zinc/12/67/69/520126769.db2.gz LEJRVJRFAXHDOT-UHFFFAOYSA-N 1 0 256.349 3.554 10 0 CHAERO CCCNc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000061630654 520162258 /nfs/dbraw/zinc/16/22/58/520162258.db2.gz NOHNZZMPPYBPFU-LBPRGKRZSA-N 1 0 281.831 3.931 10 0 CHAERO CCCCC[N@@H+]1CC(C)(C)NC[C@H]1c1ccccc1 ZINC000062657455 520180987 /nfs/dbraw/zinc/18/09/87/520180987.db2.gz RXNINXYFXIHLDD-INIZCTEOSA-N 1 0 260.425 3.602 10 0 CHAERO CC[NH2+][C@H](Cc1ccsc1)c1ccc(OC)c(F)c1 ZINC000061669170 520204398 /nfs/dbraw/zinc/20/43/98/520204398.db2.gz WQPNCTDIYASUFY-CQSZACIVSA-N 1 0 279.380 3.789 10 0 CHAERO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC000050961923 520207531 /nfs/dbraw/zinc/20/75/31/520207531.db2.gz WYQLKIZQVIFHRG-ZIAGYGMSSA-N 1 0 253.773 3.560 10 0 CHAERO CCCOc1ccc(O[C@H](C)C[NH2+]C(C)(C)C)cc1 ZINC000052695121 520409474 /nfs/dbraw/zinc/40/94/74/520409474.db2.gz KMTNHNKDTQREPO-CYBMUJFWSA-N 1 0 265.397 3.631 10 0 CHAERO CCCOc1cccc([C@@H]([NH2+]C)c2ccc(C)o2)c1 ZINC000061667719 520465029 /nfs/dbraw/zinc/46/50/29/520465029.db2.gz FFYQWEPNNQBFBN-MRXNPFEDSA-N 1 0 259.349 3.686 10 0 CHAERO CCCOc1cccc([C@@H]([NH3+])Cc2ccccc2)c1 ZINC000061667866 520465669 /nfs/dbraw/zinc/46/56/69/520465669.db2.gz JVRYBUJLNKLEKV-KRWDZBQOSA-N 1 0 255.361 3.718 10 0 CHAERO CC1(C)CN(Cc2ccccc2)[C@@H](c2ccccc2)C[NH2+]1 ZINC000062671214 520482722 /nfs/dbraw/zinc/48/27/22/520482722.db2.gz XYQFTPQKBPBGCL-GOSISDBHSA-N 1 0 280.415 3.612 10 0 CHAERO CC1(C)CSC(N[C@@H]2CCCc3sccc32)=[NH+]1 ZINC000061365196 520514489 /nfs/dbraw/zinc/51/44/89/520514489.db2.gz NMMYLHUYNKKBNJ-SNVBAGLBSA-N 1 0 266.435 3.597 10 0 CHAERO CCCCN([C@@H](C[NH2+]CC)c1ccccc1)C1CC1 ZINC000052512697 520552846 /nfs/dbraw/zinc/55/28/46/520552846.db2.gz QFJUADOLNDFIIE-KRWDZBQOSA-N 1 0 260.425 3.602 10 0 CHAERO CCCC[NH2+]C[C@@H](C)Sc1ccc(F)cc1F ZINC000053620882 520691312 /nfs/dbraw/zinc/69/13/12/520691312.db2.gz WVBPGFZHDWNGEQ-SNVBAGLBSA-N 1 0 259.365 3.835 10 0 CHAERO CCC[C@@H]([NH2+]CC)[C@H](CC)n1ncc2ccccc21 ZINC000050524740 520771842 /nfs/dbraw/zinc/77/18/42/520771842.db2.gz GEKCGXKGUZCLRQ-CABCVRRESA-N 1 0 259.397 3.766 10 0 CHAERO CCCCOCC[C@]1(C[NH2+]C2CC2)C[C@H]2CC[C@@H]1C2 ZINC000054639169 520796883 /nfs/dbraw/zinc/79/68/83/520796883.db2.gz VLZGQLBAAYLJAZ-ZMSDIMECSA-N 1 0 265.441 3.752 10 0 CHAERO CCN(CC)c1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000054995239 520925638 /nfs/dbraw/zinc/92/56/38/520925638.db2.gz DYWYXJMUDZOJEJ-UHFFFAOYSA-N 1 0 283.485 3.785 10 0 CHAERO CCC[C@H](C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000052970461 521101566 /nfs/dbraw/zinc/10/15/66/521101566.db2.gz RUOWYKDHHCDGCA-NSHDSACASA-N 1 0 253.336 3.676 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@H](CC)Oc1cccc(F)c1F ZINC000062613401 521156537 /nfs/dbraw/zinc/15/65/37/521156537.db2.gz JYGTUMBLIDFGHK-STQMWFEESA-N 1 0 271.351 3.900 10 0 CHAERO CCOc1ccc([C@@H](C[NH3+])Nc2cccc(Cl)c2)cc1 ZINC000057603885 521228406 /nfs/dbraw/zinc/22/84/06/521228406.db2.gz SGGMKFCCGYZQOP-MRXNPFEDSA-N 1 0 290.794 3.851 10 0 CHAERO CCC[C@](C)(CCCOCC(F)(F)F)C[NH2+]CC ZINC000054656696 521266298 /nfs/dbraw/zinc/26/62/98/521266298.db2.gz YYWZKLRPHMVOPZ-GFCCVEGCSA-N 1 0 269.351 3.761 10 0 CHAERO CCOc1cccc(-c2ncc(C[NH2+]CC(C)C)s2)c1 ZINC000052331659 521311945 /nfs/dbraw/zinc/31/19/45/521311945.db2.gz FPFXVOLDVYCSCG-UHFFFAOYSA-N 1 0 290.432 3.954 10 0 CHAERO CC[N@H+]([C@H](CC(N)=S)c1ccccc1)C1CCCC1 ZINC000055024683 521476802 /nfs/dbraw/zinc/47/68/02/521476802.db2.gz VWFHQJGFMVYNPS-OAHLLOKOSA-N 1 0 276.449 3.668 10 0 CHAERO CCC(CC)(c1ccccc1)[C@H]([NH3+])c1cccnc1 ZINC000062783849 521479328 /nfs/dbraw/zinc/47/93/28/521479328.db2.gz YNLHQQFRZFGZML-MRXNPFEDSA-N 1 0 254.377 3.839 10 0 CHAERO CCCc1nc(N(C)C2CCCCCC2)sc1C[NH3+] ZINC000054997947 521529127 /nfs/dbraw/zinc/52/91/27/521529127.db2.gz KOXHXGGWUDBBDV-UHFFFAOYSA-N 1 0 281.469 3.713 10 0 CHAERO CCOc1ccccc1[C@@H]([NH3+])c1ccc(F)c(C)c1 ZINC000055240703 521579422 /nfs/dbraw/zinc/57/94/22/521579422.db2.gz KEBMGLSADZTSQC-INIZCTEOSA-N 1 0 259.324 3.581 10 0 CHAERO CCc1ccccc1[C@H](CN)[NH+]1CCCCCCC1 ZINC000052203420 521953108 /nfs/dbraw/zinc/95/31/08/521953108.db2.gz FXQLAEFZODSEQC-KRWDZBQOSA-N 1 0 260.425 3.515 10 0 CHAERO CC[C@@H](C)COc1cc(OC)ccc1C[NH2+]C(C)C ZINC000050424008 522003096 /nfs/dbraw/zinc/00/30/96/522003096.db2.gz OZQNSAZRUXKAHZ-CYBMUJFWSA-N 1 0 265.397 3.618 10 0 CHAERO C[NH2+]CC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000045496915 522016734 /nfs/dbraw/zinc/01/67/34/522016734.db2.gz HYXMIUGYZHSSJS-OAHLLOKOSA-N 1 0 264.372 3.909 10 0 in-vivo CHAERO C[NH2+]C[C@H](Cc1ccc(OC)cc1)CC1CCCC1 ZINC000052975907 522073804 /nfs/dbraw/zinc/07/38/04/522073804.db2.gz RMBHXWPFWYIMFH-INIZCTEOSA-N 1 0 261.409 3.654 10 0 CHAERO C[NH2+]C[C@H](O[C@@H]1CCCC[C@@H]1C)c1ccccc1C ZINC000050491260 522078736 /nfs/dbraw/zinc/07/87/36/522078736.db2.gz MFTBYFAYMDQHLB-UAGQMJEPSA-N 1 0 261.409 3.851 10 0 CHAERO CC[C@@H](C)N(CC)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054902939 522086022 /nfs/dbraw/zinc/08/60/22/522086022.db2.gz CUHUDABNYIMTIH-LLVKDONJSA-N 1 0 269.458 3.656 10 0 CHAERO C[NH2+]Cc1ccc(OC2CCCCC2)c(Br)c1 ZINC000062700885 522119752 /nfs/dbraw/zinc/11/97/52/522119752.db2.gz RLOJTEKYMLYNLR-UHFFFAOYSA-N 1 0 298.224 3.880 10 0 CHAERO CC[C@H](C[NH2+]C(C)C)Oc1ccc2c(c1)CCCC2 ZINC000052706738 522192934 /nfs/dbraw/zinc/19/29/34/522192934.db2.gz NZAWAPDCSFWQTC-MRXNPFEDSA-N 1 0 261.409 3.721 10 0 CHAERO C[NH2+][C@@H](C)c1cnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000055270677 522338181 /nfs/dbraw/zinc/33/81/81/522338181.db2.gz GYKREIUZYVZUCJ-HXTFMFRQSA-N 1 0 276.449 3.891 10 0 CHAERO CC[C@H]([NH3+])[C@H](OC1CCC1)c1ccc(Cl)s1 ZINC000050519267 522342882 /nfs/dbraw/zinc/34/28/82/522342882.db2.gz YPCIUCNKORVRQF-CABZTGNLSA-N 1 0 259.802 3.749 10 0 CHAERO C[NH2+][C@H](Cc1cc(C)ccc1C)c1ccc(F)cc1 ZINC000049258004 522471455 /nfs/dbraw/zinc/47/14/55/522471455.db2.gz WPQNGSVPXGIERC-QGZVFWFLSA-N 1 0 257.352 3.946 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1F)c1cc(C)ccc1F ZINC000052984045 522473268 /nfs/dbraw/zinc/47/32/68/522473268.db2.gz YTIWBQCUVRLOIO-MRXNPFEDSA-N 1 0 261.315 3.776 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(F)c1)[C@H]1CCC[C@@H](C)C1 ZINC000055264475 522479568 /nfs/dbraw/zinc/47/95/68/522479568.db2.gz QKEOXEDQSNLZCE-WQGACYEGSA-N 1 0 265.372 3.921 10 0 CHAERO C[NH2+][C@H](c1ccccc1C)C1(c2ccccc2)CC1 ZINC000062781224 522485267 /nfs/dbraw/zinc/48/52/67/522485267.db2.gz VVNGKSTXPNOINN-QGZVFWFLSA-N 1 0 251.373 3.987 10 0 CHAERO CCc1[nH+]c2cc(N)ccc2n1Cc1ccc(C)s1 ZINC000052853278 522487387 /nfs/dbraw/zinc/48/73/87/522487387.db2.gz HAPMKWWFEYKNAY-UHFFFAOYSA-N 1 0 271.389 3.599 10 0 CHAERO C[NH2+][C@H]1CCc2c1cccc2OCc1cccs1 ZINC000062799219 522505413 /nfs/dbraw/zinc/50/54/13/522505413.db2.gz GFKHSMJRRMTWLM-AWEZNQCLSA-N 1 0 259.374 3.534 10 0 CHAERO CC[C@@H](C[NH2+]C(C)(C)C)N1CCc2sccc2[C@@H]1C ZINC000052505279 522543381 /nfs/dbraw/zinc/54/33/81/522543381.db2.gz HTTFGNBRRVORRO-STQMWFEESA-N 1 0 280.481 3.834 10 0 CHAERO CC[C@H]([NH2+][C@@H]1COc2ccccc21)c1ccccc1 ZINC000070196879 522723121 /nfs/dbraw/zinc/72/31/21/522723121.db2.gz GTBUWGYYGWQYAX-JKSUJKDBSA-N 1 0 253.345 3.861 10 0 CHAERO CC[C@H]1CCCC[C@H]1OCc1cc(C)c(C[NH3+])o1 ZINC000052621889 523066106 /nfs/dbraw/zinc/06/61/06/523066106.db2.gz TZSBUWYSPNCQPP-GXTWGEPZSA-N 1 0 251.370 3.532 10 0 CHAERO COc1ccc(-c2nc([C@@H]3CCC[NH2+]3)sc2C)cc1 ZINC000053251365 523223020 /nfs/dbraw/zinc/22/30/20/523223020.db2.gz YHZSZVUOVCLWBA-ZDUSSCGKSA-N 1 0 274.389 3.552 10 0 CHAERO CC[C@H]1CSC(NCc2ccccc2C(F)(F)F)=[NH+]1 ZINC000061627319 523353812 /nfs/dbraw/zinc/35/38/12/523353812.db2.gz GXTDIISAPBQCDS-JTQLQIEISA-N 1 0 288.338 3.676 10 0 CHAERO CC[C@](CCOC)(C[NH2+]C(C)(C)C)c1ccccc1 ZINC000054659541 523524350 /nfs/dbraw/zinc/52/43/50/523524350.db2.gz SYCXSNYOYPHUOO-KRWDZBQOSA-N 1 0 263.425 3.759 10 0 CHAERO CC[C@@](C)(C[NH2+]C)Cc1ccc(OC(F)(F)F)cc1 ZINC000054660222 523639880 /nfs/dbraw/zinc/63/98/80/523639880.db2.gz HZJBSHQZOXGFKV-CYBMUJFWSA-N 1 0 275.314 3.763 10 0 CHAERO CN1C(=O)C[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)c2ccccc21 ZINC000149294379 523704190 /nfs/dbraw/zinc/70/41/90/523704190.db2.gz MXFUEPUHVLZVFX-DZGCQCFKSA-N 1 0 286.419 3.653 10 0 CHAERO COc1ccc(CC2([NH3+])CCCCC2)cc1Br ZINC000049597839 523914617 /nfs/dbraw/zinc/91/46/17/523914617.db2.gz RDKSBVKZOWTPTF-UHFFFAOYSA-N 1 0 298.224 3.662 10 0 CHAERO C[C@@H]1CCCC[C@H]1N(C)c1ccc(Cl)cc1C[NH3+] ZINC000052857502 524162555 /nfs/dbraw/zinc/16/25/55/524162555.db2.gz PKVAGWVPKQPNHI-BXUZGUMPSA-N 1 0 266.816 3.814 10 0 CHAERO C[C@H](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000085638199 524198937 /nfs/dbraw/zinc/19/89/37/524198937.db2.gz CLWJJNOBQCQHBJ-IWCQGFGOSA-N 1 0 273.420 3.583 10 0 CHAERO COc1ccc(Cl)cc1[C@@](C)([NH3+])c1ccc(F)cc1 ZINC000055195001 524254949 /nfs/dbraw/zinc/25/49/49/524254949.db2.gz YIKRSFRCDMQLAU-HNNXBMFYSA-N 1 0 279.742 3.710 10 0 CHAERO C[C@@H](C1CCCCC1)n1c(N)[nH+]c2cc(F)ccc21 ZINC000052341539 524336736 /nfs/dbraw/zinc/33/67/36/524336736.db2.gz JFMGBWZNMNKHDX-JTQLQIEISA-N 1 0 261.344 3.899 10 0 CHAERO Cc1ccc(CC[C@@H]([NH3+])Cc2ccccc2C)cc1 ZINC000052945995 524348281 /nfs/dbraw/zinc/34/82/81/524348281.db2.gz BBWCSKOVXGRMGC-GOSISDBHSA-N 1 0 253.389 3.806 10 0 CHAERO Cc1ccc(C[N@H+]2CC(C)(C)NC[C@H]2CC(C)C)cc1 ZINC000062668203 524434280 /nfs/dbraw/zinc/43/42/80/524434280.db2.gz UBQRDURYKIEKCZ-QGZVFWFLSA-N 1 0 274.452 3.594 10 0 CHAERO C[C@@H]1CCC[C@]2(CSC(NCc3ccsc3)=[NH+]2)C1 ZINC000063154075 524435370 /nfs/dbraw/zinc/43/53/70/524435370.db2.gz UTKBUDKXIIGPFS-BXUZGUMPSA-N 1 0 280.462 3.889 10 0 CHAERO C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2)C(C)(C)C[NH2+]1 ZINC000062668185 524616119 /nfs/dbraw/zinc/61/61/19/524616119.db2.gz OBFBRPBVDZDWEY-AWEZNQCLSA-N 1 0 274.452 3.556 10 0 CHAERO COc1ccccc1S[C@@H](CC[NH3+])c1ccccc1 ZINC000055019570 524711972 /nfs/dbraw/zinc/71/19/72/524711972.db2.gz BAUNSJOEWZSPAH-HNNXBMFYSA-N 1 0 273.401 3.877 10 0 CHAERO C[C@@H](C[NH2+]Cc1cccs1)SCc1ccco1 ZINC000053619323 524743732 /nfs/dbraw/zinc/74/37/32/524743732.db2.gz AHBLSJMNNKEZCB-NSHDSACASA-N 1 0 267.419 3.753 10 0 CHAERO Cc1cc(C[NH2+]Cc2cc3c(s2)CCC3)ccc1F ZINC000050545638 524757291 /nfs/dbraw/zinc/75/72/91/524757291.db2.gz WKRHLMJTFHZGHW-UHFFFAOYSA-N 1 0 275.392 3.974 10 0 CHAERO Cc1cc(COC2CCC2)oc1C[NH2+]C(C)(C)C ZINC000052595807 524799551 /nfs/dbraw/zinc/79/95/51/524799551.db2.gz SXTLXUWQGBGWML-UHFFFAOYSA-N 1 0 251.370 3.545 10 0 CHAERO COc1cncc(C[NH2+][C@H](C)c2ccc(C)cc2C)c1 ZINC000289696741 524923460 /nfs/dbraw/zinc/92/34/60/524923460.db2.gz FEEOGPNWADLPIZ-CQSZACIVSA-N 1 0 270.376 3.558 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000163510272 524941790 /nfs/dbraw/zinc/94/17/90/524941790.db2.gz IYFRGVVLHROVNX-RDJZCZTQSA-N 1 0 287.451 3.527 10 0 CHAERO COc1ccc(Oc2cc(Cl)ccc2C[NH3+])cc1 ZINC000062787125 524992111 /nfs/dbraw/zinc/99/21/11/524992111.db2.gz QYPRMUBZXJSPND-UHFFFAOYSA-N 1 0 263.724 3.600 10 0 CHAERO C[C@@H]([NH3+])c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000052924076 525024857 /nfs/dbraw/zinc/02/48/57/525024857.db2.gz VYWIHDPGAJETTF-MRVPVSSYSA-N 1 0 255.239 3.985 10 0 CHAERO Cc1ccccc1CS[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000054964052 525185460 /nfs/dbraw/zinc/18/54/60/525185460.db2.gz SMEZEGQHQHXYPP-CJNGLKHVSA-N 1 0 272.417 3.712 10 0 CHAERO Cc1cc(O[C@H](C)C[NH2+]C(C)C)cc(C)c1Cl ZINC000052699969 525382131 /nfs/dbraw/zinc/38/21/31/525382131.db2.gz ZTJJYQUBAPGBKX-GFCCVEGCSA-N 1 0 255.789 3.722 10 0 CHAERO C[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000129437039 525514397 /nfs/dbraw/zinc/51/43/97/525514397.db2.gz XHJOZBZYELMWLV-RNCFNFMXSA-N 1 0 291.288 3.502 10 0 CHAERO Cc1ccc([C@@H](C)[N@@H+]2Cc3cccc(N)c3C2)s1 ZINC000049185845 525691586 /nfs/dbraw/zinc/69/15/86/525691586.db2.gz ATMUQAPUEHJYBK-LLVKDONJSA-N 1 0 258.390 3.716 10 0 CHAERO Cc1ccc([C@@H]2CC[NH2+][C@@H]2Cc2ccccc2)cc1 ZINC000054686584 525829600 /nfs/dbraw/zinc/82/96/00/525829600.db2.gz GJXBVHMYDBOODU-ZWKOTPCHSA-N 1 0 251.373 3.683 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000293908258 525944998 /nfs/dbraw/zinc/94/49/98/525944998.db2.gz WSTKBVJTFMGVNT-XUWVNRHRSA-N 1 0 261.409 3.910 10 0 CHAERO Cc1ccc([C@H]([NH3+])Cc2ccc(Cl)cc2Cl)cn1 ZINC000062949853 525961151 /nfs/dbraw/zinc/96/11/51/525961151.db2.gz JDBLRFBROOLJGQ-CQSZACIVSA-N 1 0 281.186 3.939 10 0 CHAERO Cc1ccc(C(C)(C)C)cc1[C@@H](O)CC[NH2+]C(C)C ZINC000049855047 526243647 /nfs/dbraw/zinc/24/36/47/526243647.db2.gz YFGICYFRUQHBCK-INIZCTEOSA-N 1 0 263.425 3.714 10 0 CHAERO Cc1ccc2[nH]c(S[C@H](C[NH3+])c3cccs3)nc2c1 ZINC000061440011 526256378 /nfs/dbraw/zinc/25/63/78/526256378.db2.gz UKFVBTNJPGEVMJ-CYBMUJFWSA-N 1 0 289.429 3.725 10 0 CHAERO Fc1cc(F)cc(OCC[NH2+]CC2CCCCC2)c1 ZINC000054935009 526309263 /nfs/dbraw/zinc/30/92/63/526309263.db2.gz DEKJJLGSEYZSAS-UHFFFAOYSA-N 1 0 269.335 3.514 10 0 CHAERO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1F ZINC000157001984 526384717 /nfs/dbraw/zinc/38/47/17/526384717.db2.gz VYFJAQZBUSTJDA-GFCCVEGCSA-N 1 0 294.370 3.801 10 0 CHAERO c1coc([C@H]([NH2+]C[C@@H]2CCCS2)c2ccccc2)c1 ZINC000149562959 526570400 /nfs/dbraw/zinc/57/04/00/526570400.db2.gz HFNIBWYYNWPEIQ-GOEBONIOSA-N 1 0 273.401 3.854 10 0 CHAERO c1csc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000157015281 526588176 /nfs/dbraw/zinc/58/81/76/526588176.db2.gz YKOVUUYUGVCSBR-AWEZNQCLSA-N 1 0 258.390 3.523 10 0 CHAERO Cc1nc(C[C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)cs1 ZINC000055294888 526918619 /nfs/dbraw/zinc/91/86/19/526918619.db2.gz CLFGRXHACNSDCX-OAHLLOKOSA-N 1 0 274.433 3.992 10 0 CHAERO [NH3+]C1(c2cccc(C(F)(F)F)c2)Cc2ccccc2C1 ZINC000055194340 527132156 /nfs/dbraw/zinc/13/21/56/527132156.db2.gz UHYLYGCJMJRMDH-UHFFFAOYSA-N 1 0 277.289 3.658 10 0 CHAERO [NH3+]C[C@@H](Cc1ccsc1)Cc1cccc(Cl)c1 ZINC000052948009 527203722 /nfs/dbraw/zinc/20/37/22/527203722.db2.gz MFWGVDIWSNHLGQ-CYBMUJFWSA-N 1 0 265.809 3.762 10 0 CHAERO [NH3+][C@@H](Cc1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000062607964 527335815 /nfs/dbraw/zinc/33/58/15/527335815.db2.gz VUOZQGFENDYLID-AWEZNQCLSA-N 1 0 285.696 4.000 10 0 CHAERO [NH3+][C@H]1CCCC[C@H]1CCOc1ccc(Br)cc1 ZINC000049597115 527398006 /nfs/dbraw/zinc/39/80/06/527398006.db2.gz HBJGLFOCCGPTTQ-FZMZJTMJSA-N 1 0 298.224 3.736 10 0 CHAERO FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000295043037 527673145 /nfs/dbraw/zinc/67/31/45/527673145.db2.gz MTOHAPPUFNJMLD-ONGXEEELSA-N 1 0 278.343 3.744 10 0 CHAERO CC[C@H]1CN(c2ccc3ccccc3c2)[C@@H](CC)C[NH2+]1 ZINC000083511088 536161888 /nfs/dbraw/zinc/16/18/88/536161888.db2.gz LDTUQGAJWAGQPY-IRXDYDNUSA-N 1 0 268.404 3.807 10 0 CHAERO [NH3+]CCc1cccc(-c2cccc(Br)c2)c1 ZINC000033428186 566979915 /nfs/dbraw/zinc/97/99/15/566979915.db2.gz GEEIFEGBNXXOGT-UHFFFAOYSA-N 1 0 276.177 3.617 10 0 CHAERO C[C@@H]1CCC[N@H+](Cc2cc(N)ccc2Br)[C@@H]1C ZINC000128393136 567034959 /nfs/dbraw/zinc/03/49/59/567034959.db2.gz BHDGEMDZBJDLGD-GHMZBOCLSA-N 1 0 297.240 3.652 10 0 CHAERO CC1(C)CC[NH+](Cc2cc(N)ccc2Br)CC1 ZINC000128396513 567035076 /nfs/dbraw/zinc/03/50/76/567035076.db2.gz NVNLQGYIKPMWFT-UHFFFAOYSA-N 1 0 297.240 3.653 10 0 CHAERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(C2CC2)s1 ZINC000328620445 567119341 /nfs/dbraw/zinc/11/93/41/567119341.db2.gz HAAVUCUWNFMERT-OCCSQVGLSA-N 1 0 294.464 3.561 10 0 CHAERO CC(C)(C)OC(=O)N1CCC[C@@](C)([NH+]2CCCCC2)CC1 ZINC000685953339 567209264 /nfs/dbraw/zinc/20/92/64/567209264.db2.gz WCCWUGHIQDKKIJ-QGZVFWFLSA-N 1 0 296.455 3.652 10 0 CHAERO CC[C@@]1([NH+]2CCCC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952376 567209359 /nfs/dbraw/zinc/20/93/59/567209359.db2.gz ILOBRBGPPGSCAR-QGZVFWFLSA-N 1 0 296.455 3.652 10 0 CHAERO [NH3+]CCCc1cn(Cc2ccccc2)c2ccccc12 ZINC000033413618 567886643 /nfs/dbraw/zinc/88/66/43/567886643.db2.gz BVRDIMLDKVXCOJ-UHFFFAOYSA-N 1 0 264.372 3.581 10 0 CHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@@H]1c1cccc(Br)c1 ZINC000725254462 567913518 /nfs/dbraw/zinc/91/35/18/567913518.db2.gz ULAIWKKPZCAKCF-HERUPUMHSA-N 1 0 280.209 3.693 10 0 CHAERO COCC[C@H](C[NH2+]C1CCCCC1)c1ccccc1 ZINC000725266757 567923869 /nfs/dbraw/zinc/92/38/69/567923869.db2.gz BNEGWRCNYRFXSH-MRXNPFEDSA-N 1 0 261.409 3.729 10 0 CHAERO Clc1ccc([C@@H]2[NH2+]CCc3sccc32)s1 ZINC000038393025 570249022 /nfs/dbraw/zinc/24/90/22/570249022.db2.gz MWIDTLILYFBNHC-LLVKDONJSA-N 1 0 255.795 3.698 10 0 CHAERO Nc1ccccc1SC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000216609773 570305928 /nfs/dbraw/zinc/30/59/28/570305928.db2.gz MPRLHELMLFULGS-HIFRSBDPSA-N 1 0 276.449 3.625 10 0 CHAERO C[NH+](C)CC/C=C1\c2ccccc2COc2ccc(O)cc21 ZINC000065742875 570335869 /nfs/dbraw/zinc/33/58/69/570335869.db2.gz GRQPGTWGEQWMMM-CAOOACKPSA-N 1 0 295.382 3.668 10 0 in-vitro CHAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(N)ccc2Br)C1 ZINC000128345235 570369259 /nfs/dbraw/zinc/36/92/59/570369259.db2.gz CXOCMRKYCQTQCR-GHMZBOCLSA-N 1 0 297.240 3.509 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)c(F)c1 ZINC000034842233 570410832 /nfs/dbraw/zinc/41/08/32/570410832.db2.gz DQYVFQOOITXJBG-LBPRGKRZSA-N 1 0 259.324 3.685 10 0 CHAERO C[N+](C)(CCOc1ccc(Cl)c(F)c1)C1CCCC1 ZINC000190296193 717157674 /nfs/dbraw/zinc/15/76/74/717157674.db2.gz LBKNXPVOMSPYOB-UHFFFAOYSA-N 1 0 286.798 3.877 10 0 CHAERO C[N+](C)(Cc1cc(F)ccc1Cl)C1CCCC1 ZINC000187747158 717157785 /nfs/dbraw/zinc/15/77/85/717157785.db2.gz HNJLPJWXJRNJRP-UHFFFAOYSA-N 1 0 256.772 3.998 10 0 CHAERO c1csc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000195348972 1125565148 /nfs/dbraw/zinc/56/51/48/1125565148.db2.gz QKKVBMKBLKCKHZ-HNNXBMFYSA-N 1 0 272.417 3.565 10 0 CHAERO [NH2+]=C(Nc1ccccc1)NC1CC(c2ccccc2)C1 ZINC000364186135 1120497677 /nfs/dbraw/zinc/49/76/77/1120497677.db2.gz GATWNOGYRIJORJ-UHFFFAOYSA-N 1 0 265.360 3.569 10 0 CHAERO O[C@@H](C[N@H+](C1CC1)C1CCCC1)c1ccccc1Cl ZINC000103466205 1129765827 /nfs/dbraw/zinc/76/58/27/1129765827.db2.gz GKJBINWFZUTHHX-INIZCTEOSA-N 1 0 279.811 3.780 10 0 CHAERO CCc1nc(C(C)(C)C)sc1C[NH2+]CC(C)C ZINC000082423897 177998268 /nfs/dbraw/zinc/99/82/68/177998268.db2.gz XGAJPYINIBRYQS-UHFFFAOYSA-N 1 0 254.443 3.749 10 0 CHAERO COCc1nc(-c2cccc(C)c2)sc1C[NH2+]C(C)C ZINC000082445357 178021907 /nfs/dbraw/zinc/02/19/07/178021907.db2.gz SNWNVPBNRDXXTK-UHFFFAOYSA-N 1 0 290.432 3.763 10 0 CHAERO C[NH2+]Cc1sc(Cc2ccccc2)nc1C(C)C ZINC000082429552 178006721 /nfs/dbraw/zinc/00/67/21/178006721.db2.gz MMHZXVPJMCIVSM-UHFFFAOYSA-N 1 0 260.406 3.577 10 0 CHAERO Cc1ccccc1-c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000082438669 178016972 /nfs/dbraw/zinc/01/69/72/178016972.db2.gz JLSYQWDLDHPCIL-UHFFFAOYSA-N 1 0 260.406 3.875 10 0 CHAERO CC(C)c1nc(C(C)(C)C)c(C[NH2+]C2CC2)s1 ZINC000082438701 178016994 /nfs/dbraw/zinc/01/69/94/178016994.db2.gz IDQOCKCISZDDED-UHFFFAOYSA-N 1 0 252.427 3.816 10 0 CHAERO C[NH2+]Cc1sc(CSC(C)C)nc1C(C)(C)C ZINC000082439721 178017698 /nfs/dbraw/zinc/01/76/98/178017698.db2.gz PGGGAAUPMVKYBY-UHFFFAOYSA-N 1 0 272.483 3.802 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccc(CC)cc2)nc1COC ZINC000082446514 178023926 /nfs/dbraw/zinc/02/39/26/178023926.db2.gz SEEVJEOKFKYQEG-UHFFFAOYSA-N 1 0 290.432 3.628 10 0 CHAERO CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C[NH2+]1 ZINC000095752841 185026460 /nfs/dbraw/zinc/02/64/60/185026460.db2.gz NBBAXAIIMROXQY-GJZGRUSLSA-N 1 0 298.471 3.656 10 0 CHAERO C[NH2+][C@@H]1CC2(CCCC2)Oc2ccc(Cl)cc21 ZINC000082508791 178074726 /nfs/dbraw/zinc/07/47/26/178074726.db2.gz QKRRQGVDDPZBDD-GFCCVEGCSA-N 1 0 251.757 3.696 10 0 CHAERO [NH3+]CCCCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000082573488 178113421 /nfs/dbraw/zinc/11/34/21/178113421.db2.gz GWMJZZSADMDLMG-UHFFFAOYSA-N 1 0 266.797 3.745 10 0 CHAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1ccccc1Cl ZINC000082660909 178147471 /nfs/dbraw/zinc/14/74/71/178147471.db2.gz WVHRQPIUZQCCIA-UHFFFAOYSA-N 1 0 277.799 3.580 10 0 CHAERO Cc1ccc(C[NH2+]C(C)(C)C)cc1Br ZINC000083413683 178421709 /nfs/dbraw/zinc/42/17/09/178421709.db2.gz VGTWLIKRKKDEFA-UHFFFAOYSA-N 1 0 256.187 3.646 10 0 CHAERO C[NH2+][C@@H](C(=O)c1ccc(SC(C)C)cc1)C(C)C ZINC000096891009 185124595 /nfs/dbraw/zinc/12/45/95/185124595.db2.gz MXZNSKUSOHWQFY-CQSZACIVSA-N 1 0 265.422 3.614 10 0 CHAERO [NH3+][C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ccccc21 ZINC000097758186 185662783 /nfs/dbraw/zinc/66/27/83/185662783.db2.gz ODRKNDKJXGVTSF-UKRRQHHQSA-N 1 0 258.752 3.897 10 0 CHAERO CC[C@H]([NH3+])CCc1cc(C)cc(C(C)(C)C)c1OC ZINC000098131097 185691785 /nfs/dbraw/zinc/69/17/85/185691785.db2.gz BSMGFULNCZSWGY-AWEZNQCLSA-N 1 0 263.425 3.971 10 0 CHAERO COc1ccc(CCCC[NH2+]C(C)C)cc1Cl ZINC000086585294 179310135 /nfs/dbraw/zinc/31/01/35/179310135.db2.gz RJUJFURUODXJSB-UHFFFAOYSA-N 1 0 255.789 3.669 10 0 CHAERO CCc1ccc(N(C)[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000103993280 185876875 /nfs/dbraw/zinc/87/68/75/185876875.db2.gz WVCYCUHHFYLDGI-QGZVFWFLSA-N 1 0 260.425 3.593 10 0 CHAERO c1c2ccccc2oc1C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104093709 185894617 /nfs/dbraw/zinc/89/46/17/185894617.db2.gz KWLFWPGSIDNESZ-GUTXKFCHSA-N 1 0 255.361 3.959 10 0 CHAERO CCNc1c2cc(N(C)C)ccc2[nH+]c(C)c1CC ZINC000104162056 185914658 /nfs/dbraw/zinc/91/46/58/185914658.db2.gz STMSZPDPUPDGOK-UHFFFAOYSA-N 1 0 257.381 3.603 10 0 CHAERO c1csc(C([NH2+]CC2CCOCC2)c2cccs2)c1 ZINC000104192485 185923044 /nfs/dbraw/zinc/92/30/44/185923044.db2.gz UAYYTWWLWCPRMS-UHFFFAOYSA-N 1 0 293.457 3.915 10 0 CHAERO C[NH2+][C@@H](CCc1cccs1)Cc1ccccc1C ZINC000104271917 185950965 /nfs/dbraw/zinc/95/09/65/185950965.db2.gz HEPCDMMVGYFIFQ-HNNXBMFYSA-N 1 0 259.418 3.820 10 0 CHAERO Cc1nnc(Sc2cccc(Cl)c2C[C@@H](C)[NH3+])s1 ZINC000104286673 185955385 /nfs/dbraw/zinc/95/53/85/185955385.db2.gz FHGKYKYDLIYKCE-SSDOTTSWSA-N 1 0 299.852 3.541 10 0 CHAERO CCc1ccc(Oc2ccccc2C[C@H](C)[NH3+])cc1 ZINC000104298910 185958737 /nfs/dbraw/zinc/95/87/37/185958737.db2.gz KJRHWWNCIYXZKE-ZDUSSCGKSA-N 1 0 255.361 3.931 10 0 CHAERO C[NH2+]Cc1oc(COc2ccc(SC)cc2)cc1C ZINC000104335654 185973767 /nfs/dbraw/zinc/97/37/67/185973767.db2.gz WTGQARDLQYBKPL-UHFFFAOYSA-N 1 0 277.389 3.608 10 0 CHAERO C(COC1CCCC1)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000104437907 186002610 /nfs/dbraw/zinc/00/26/10/186002610.db2.gz XDBKAWRCDRDOPV-XHSDSOJGSA-N 1 0 265.441 3.894 10 0 CHAERO c1ccc(C(c2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000107272366 186165072 /nfs/dbraw/zinc/16/50/72/186165072.db2.gz BIYLRGWXQJTZML-QGZVFWFLSA-N 1 0 251.373 3.818 10 0 CHAERO CCC(CC)(C[NH3+])Nc1ccccc1C(F)(F)F ZINC000111823001 186459911 /nfs/dbraw/zinc/45/99/11/186459911.db2.gz QHKXTXFXFDFPQV-UHFFFAOYSA-N 1 0 260.303 3.635 10 0 CHAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCc2ccccc21 ZINC000019872500 184534980 /nfs/dbraw/zinc/53/49/80/184534980.db2.gz FEHGJVOUFZLKRS-LLVKDONJSA-N 1 0 256.324 3.540 10 0 CHAERO CCC1CCC(N(C)C(=[NH2+])Nc2ccccc2)CC1 ZINC000060393325 184567802 /nfs/dbraw/zinc/56/78/02/184567802.db2.gz SDJWVQFGSWUXEL-UHFFFAOYSA-N 1 0 259.397 3.934 10 0 CHAERO Cc1ccc([C@H](C[NH3+])N2CCCc3ccccc32)s1 ZINC000036906750 134826080 /nfs/dbraw/zinc/82/60/80/134826080.db2.gz SYCFPVBIKPMQEQ-HNNXBMFYSA-N 1 0 272.417 3.509 10 0 CHAERO CC(C)c1cccc(N2C[C@@H](C(C)C)[NH2+]C[C@H]2C)c1 ZINC000083441464 135021470 /nfs/dbraw/zinc/02/14/70/135021470.db2.gz GXBQHYIIAYAPKG-PBHICJAKSA-N 1 0 260.425 3.633 10 0 CHAERO CC[C@H]1CN(c2cc(C)ccc2C)[C@H](C(C)C)C[NH2+]1 ZINC000083441825 135021910 /nfs/dbraw/zinc/02/19/10/135021910.db2.gz SFLAVLNFHUECBY-RDJZCZTQSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@@H]1CN(c2cc(C)ccc2C)[C@H](C(C)C)C[NH2+]1 ZINC000083441823 135021913 /nfs/dbraw/zinc/02/19/13/135021913.db2.gz SFLAVLNFHUECBY-WBVHZDCISA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@@H]1CN(c2ccc(Cl)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083493821 135024684 /nfs/dbraw/zinc/02/46/84/135024684.db2.gz FHEGKOBJIHILCV-HIFRSBDPSA-N 1 0 266.816 3.553 10 0 CHAERO Cc1cc2c(cc1C)[C@@H](O)[C@H]([NH+]1CCCCC1)CCC2 ZINC000001729488 169751735 /nfs/dbraw/zinc/75/17/35/169751735.db2.gz YFBSOHIFEHJOSX-QZTJIDSGSA-N 1 0 273.420 3.528 10 0 CHAERO [NH3+]CCc1nc2c(s1)CCCCCCCCCC2 ZINC000003708184 169908448 /nfs/dbraw/zinc/90/84/48/169908448.db2.gz WPPXCDVCHGODAU-UHFFFAOYSA-N 1 0 266.454 3.864 10 0 CHAERO Brc1ccc(C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000003735010 169910350 /nfs/dbraw/zinc/91/03/50/169910350.db2.gz LOCUVGFPBNGOJL-ZDUSSCGKSA-N 1 0 268.198 3.524 10 0 in-vitro CHAERO [NH3+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000005766854 170138963 /nfs/dbraw/zinc/13/89/63/170138963.db2.gz PSUVVZJQAFSVPW-UHFFFAOYSA-N 1 0 262.150 3.575 10 0 CHAERO CC(C)[NH2+]Cc1nccn1Cc1ccc(Cl)c(Cl)c1 ZINC000006689218 170226557 /nfs/dbraw/zinc/22/65/57/170226557.db2.gz KRKIRQRTLKRJQS-UHFFFAOYSA-N 1 0 298.217 3.736 10 0 CHAERO CCc1ccc([C@H]([NH3+])Cc2ccc(OC)cc2)cc1 ZINC000011603597 170426171 /nfs/dbraw/zinc/42/61/71/170426171.db2.gz CBELYOXOYRECMH-QGZVFWFLSA-N 1 0 255.361 3.500 10 0 CHAERO COc1cccc(-c2csc(-c3ccc(C[NH3+])cc3)n2)c1 ZINC000011851504 170448405 /nfs/dbraw/zinc/44/84/05/170448405.db2.gz FSHSIYXGRYERQT-UHFFFAOYSA-N 1 0 296.395 3.944 10 0 CHAERO [NH3+]Cc1cccc(-c2nc(-c3cccs3)cs2)c1 ZINC000011944398 170459676 /nfs/dbraw/zinc/45/96/76/170459676.db2.gz JQEPMYPLMPEDKZ-UHFFFAOYSA-N 1 0 272.398 3.997 10 0 CHAERO [NH3+]C[C@H](Oc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 ZINC000019671094 170835449 /nfs/dbraw/zinc/83/54/49/170835449.db2.gz USZOGCCTQNPPPC-KRWDZBQOSA-N 1 0 287.790 3.908 10 0 CHAERO C[NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC000019777469 170861327 /nfs/dbraw/zinc/86/13/27/170861327.db2.gz PAUCHMODJYSAPZ-UHFFFAOYSA-N 1 0 291.778 3.517 10 0 CHAERO Cc1ccccc1COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019803092 170871471 /nfs/dbraw/zinc/87/14/71/170871471.db2.gz WJPYGUNPOZNBGT-UHFFFAOYSA-N 1 0 279.383 3.951 10 0 CHAERO COc1cccc(OC)c1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000019873423 170903031 /nfs/dbraw/zinc/90/30/31/170903031.db2.gz VVFVWSLPYHDDKP-SNVBAGLBSA-N 1 0 291.322 3.655 10 0 CHAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(F)cc2F)c(F)c1 ZINC000019873440 170903469 /nfs/dbraw/zinc/90/34/69/170903469.db2.gz AEWJYGVNXQRVTN-MRVPVSSYSA-N 1 0 267.250 3.916 10 0 CHAERO CC[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(O)cc1 ZINC000019904114 170916164 /nfs/dbraw/zinc/91/61/64/170916164.db2.gz CEYVBAWQEYVRKQ-KRWDZBQOSA-N 1 0 273.351 3.815 10 0 CHAERO COc1ccccc1[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000019970374 170953152 /nfs/dbraw/zinc/95/31/52/170953152.db2.gz NIISVOGLBJVTMA-GOSISDBHSA-N 1 0 269.388 3.942 10 0 CHAERO CCOc1ccc([C@H]([NH3+])c2c(F)cc(F)cc2F)cc1 ZINC000019971670 170955310 /nfs/dbraw/zinc/95/53/10/170955310.db2.gz OMNBHBCWDNVPBD-HNNXBMFYSA-N 1 0 281.277 3.551 10 0 CHAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc(C(C)(C)C)cc2)C1 ZINC000019985019 170960876 /nfs/dbraw/zinc/96/08/76/170960876.db2.gz WVOSEKGSTVGMAH-WQVCFCJDSA-N 1 0 261.409 3.879 10 0 CHAERO CC1(C)Cc2cccc(O[C@H]3CCCCCC[C@H]3[NH3+])c2O1 ZINC000020003541 170966674 /nfs/dbraw/zinc/96/66/74/170966674.db2.gz JOXIRSRDSGXACL-CABCVRRESA-N 1 0 289.419 3.829 10 0 CHAERO Cc1ccc(C)c(Sc2ccccc2C(N)=[NH2+])c1 ZINC000020077148 170985128 /nfs/dbraw/zinc/98/51/28/170985128.db2.gz NVZARFQWTLYWKE-UHFFFAOYSA-N 1 0 256.374 3.739 10 0 CHAERO Cc1ccc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000020129378 171017577 /nfs/dbraw/zinc/01/75/77/171017577.db2.gz QLXXLFYRPMZDCK-ZBFHGGJFSA-N 1 0 272.392 3.542 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000020129397 171017871 /nfs/dbraw/zinc/01/78/71/171017871.db2.gz OOEMEKRRCOTUKZ-QFBILLFUSA-N 1 0 282.431 3.949 10 0 CHAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129412 171017973 /nfs/dbraw/zinc/01/79/73/171017973.db2.gz PJAKJJLRVNLEOH-KDOFPFPSSA-N 1 0 286.394 3.779 10 0 CHAERO COc1ccccc1-c1nc(-c2ccccc2)c(C[NH3+])s1 ZINC000020184390 171047139 /nfs/dbraw/zinc/04/71/39/171047139.db2.gz XCGUHWACLONEBR-UHFFFAOYSA-N 1 0 296.395 3.944 10 0 CHAERO C=COCCC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000020197310 171061260 /nfs/dbraw/zinc/06/12/60/171061260.db2.gz HZERQUGOYRRQHL-AWEZNQCLSA-N 1 0 253.773 3.931 10 0 CHAERO C=COCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000020197689 171061623 /nfs/dbraw/zinc/06/16/23/171061623.db2.gz KFPCHMLJXXOHCN-UHFFFAOYSA-N 1 0 275.323 3.726 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccc(O)cc1 ZINC000020204194 171069813 /nfs/dbraw/zinc/06/98/13/171069813.db2.gz UUMMYSRMBLEPPA-ABAIWWIYSA-N 1 0 257.333 3.713 10 0 CHAERO CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000020206771 171071608 /nfs/dbraw/zinc/07/16/08/171071608.db2.gz QODXJDMWWUXMEG-DFBGVHRSSA-N 1 0 267.800 3.948 10 0 CHAERO CCc1ccc([C@H](C[NH3+])N(C)Cc2cccc(C)c2)cc1 ZINC000020225703 171088169 /nfs/dbraw/zinc/08/81/69/171088169.db2.gz DKNAIAVISPAOMX-IBGZPJMESA-N 1 0 282.431 3.689 10 0 CHAERO Cc1ccccc1[C@@H](CN)[N@H+](C)CC1CCCCC1 ZINC000020225469 171088518 /nfs/dbraw/zinc/08/85/18/171088518.db2.gz PNEAQVJGMITZDM-QGZVFWFLSA-N 1 0 260.425 3.507 10 0 CHAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2cccc(Cl)c2)cc1 ZINC000020225555 171088803 /nfs/dbraw/zinc/08/88/03/171088803.db2.gz OAAIRNHDIHZLAP-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO CC(C)c1ccc([C@@H](CN)[N@H+](C)CC(C)(C)C)cc1 ZINC000020226076 171090116 /nfs/dbraw/zinc/09/01/16/171090116.db2.gz RFVQYEDVRFEDBX-MRXNPFEDSA-N 1 0 262.441 3.788 10 0 CHAERO Cc1cccc(CN(C)[C@@H](C[NH3+])c2ccccc2Cl)c1 ZINC000020225900 171090123 /nfs/dbraw/zinc/09/01/23/171090123.db2.gz RZDAZJZGMUULGP-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO Cc1ccc(N(CCC[NH3+])Cc2cccs2)c(C)c1 ZINC000020237805 171097169 /nfs/dbraw/zinc/09/71/69/171097169.db2.gz IFOYPYUMKXOKJD-UHFFFAOYSA-N 1 0 274.433 3.720 10 0 CHAERO C[C@H]([NH3+])c1cccc(OCc2ccc3ncccc3c2)c1 ZINC000020247956 171101143 /nfs/dbraw/zinc/10/11/43/171101143.db2.gz UCSCTJORNMVCAK-ZDUSSCGKSA-N 1 0 278.355 3.834 10 0 CHAERO CC[NH+](CC)CC[C@H](N)c1ccc(Cl)cc1Cl ZINC000020274002 171130560 /nfs/dbraw/zinc/13/05/60/171130560.db2.gz BUFGQDIZIHTBSE-ZDUSSCGKSA-N 1 0 275.223 3.725 10 0 CHAERO Cc1cc(C[NH2+][C@H](C)c2cccc(F)c2)cc(C)c1O ZINC000020305574 171142165 /nfs/dbraw/zinc/14/21/65/171142165.db2.gz BOWALCRLOAGKJM-CYBMUJFWSA-N 1 0 273.351 3.999 10 0 CHAERO CCCCCC[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000020361607 171160037 /nfs/dbraw/zinc/16/00/37/171160037.db2.gz OOORWUXQEHURJJ-ZDUSSCGKSA-N 1 0 254.443 3.521 10 0 CHAERO CCOc1ccccc1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000020375135 171170598 /nfs/dbraw/zinc/17/05/98/171170598.db2.gz MEWJKTQFPBKMIO-CYBMUJFWSA-N 1 0 267.781 3.848 10 0 CHAERO Cc1cc(C)cc([C@H]([NH3+])c2ccc3c(c2)CCC3)c1 ZINC000020384567 171175257 /nfs/dbraw/zinc/17/52/57/171175257.db2.gz QQIJHQBYRXZCBE-GOSISDBHSA-N 1 0 251.373 3.840 10 0 CHAERO Cc1ccccc1[C@@H]([NH3+])c1cccc(Br)c1 ZINC000020391219 171179321 /nfs/dbraw/zinc/17/93/21/171179321.db2.gz DRMJULAEFKJQOQ-AWEZNQCLSA-N 1 0 276.177 3.806 10 0 CHAERO Cc1ccccc1-n1cc(C[NH3+])c(-c2ccc(Cl)cc2)n1 ZINC000020390781 171179556 /nfs/dbraw/zinc/17/95/56/171179556.db2.gz ADUZPNDBGOIFGO-UHFFFAOYSA-N 1 0 297.789 3.960 10 0 CHAERO [NH3+]C1(CCOc2cccc(Br)c2)CCCCC1 ZINC000020398975 171181647 /nfs/dbraw/zinc/18/16/47/171181647.db2.gz WZPZMDDGOXJURL-UHFFFAOYSA-N 1 0 298.224 3.880 10 0 CHAERO Cc1ccc([C@@H]([NH3+])Cc2nc3ccccc3s2)s1 ZINC000020428139 171193178 /nfs/dbraw/zinc/19/31/78/171193178.db2.gz NLADCRIMNICZNV-JTQLQIEISA-N 1 0 274.414 3.909 10 0 CHAERO Cc1ccccc1[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020434855 171200829 /nfs/dbraw/zinc/20/08/29/171200829.db2.gz XYMNPBUXCDGJEF-QGZVFWFLSA-N 1 0 255.361 3.830 10 0 CHAERO CC(C)C[NH2+][C@@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020468689 171210735 /nfs/dbraw/zinc/21/07/35/171210735.db2.gz KFJJUQUDRYWIGI-LBPRGKRZSA-N 1 0 253.361 3.920 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccccc2Br)c(F)c1 ZINC000020469845 171211704 /nfs/dbraw/zinc/21/17/04/171211704.db2.gz ILZJFEHXLXVAJW-UHFFFAOYSA-N 1 0 296.139 3.839 10 0 CHAERO CCCOc1ccc(Oc2ccccc2C[NH3+])cc1 ZINC000020473843 171218284 /nfs/dbraw/zinc/21/82/84/171218284.db2.gz GLRJKTOPKJOSSF-UHFFFAOYSA-N 1 0 257.333 3.726 10 0 CHAERO CCCC[NH+](CCCC)[C@]1(CN)CCCC[C@H]1C ZINC000020484890 171224789 /nfs/dbraw/zinc/22/47/89/171224789.db2.gz MCYQKOPHGAZTHE-CVEARBPZSA-N 1 0 254.462 3.796 10 0 CHAERO CCN(Cc1ccccc1)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000020486580 171225799 /nfs/dbraw/zinc/22/57/99/171225799.db2.gz NKVCHWVAXLOZHA-CYBMUJFWSA-N 1 0 272.367 3.872 10 0 CHAERO C[C@@H]1C[C@@H](Oc2ccc(C(N)=[NH2+])cc2)CC(C)(C)C1 ZINC000020516564 171232402 /nfs/dbraw/zinc/23/24/02/171232402.db2.gz PQBHGMFEGJWCCJ-BXUZGUMPSA-N 1 0 260.381 3.564 10 0 CHAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCC[C@H](C)C2)c(F)c1 ZINC000020517100 171232830 /nfs/dbraw/zinc/23/28/30/171232830.db2.gz PHYKQPSNTYHKOP-DMDPSCGWSA-N 1 0 251.345 3.803 10 0 CHAERO COc1ccc([C@@H]([NH3+])CC(C)C)cc1Br ZINC000020522155 171235611 /nfs/dbraw/zinc/23/56/11/171235611.db2.gz LZFXLURDDNUVEZ-NSHDSACASA-N 1 0 272.186 3.504 10 0 CHAERO Cc1c(Cl)cccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523834 171236355 /nfs/dbraw/zinc/23/63/55/171236355.db2.gz MAJOGZIVCYHPMH-YHWZYXNKSA-N 1 0 264.800 3.686 10 0 CHAERO Clc1cccc(OCCC[NH2+]C2CC2)c1Cl ZINC000020525429 171238230 /nfs/dbraw/zinc/23/82/30/171238230.db2.gz OUACEQHRQUOIMH-UHFFFAOYSA-N 1 0 260.164 3.514 10 0 CHAERO Cc1ccc(C)c([C@@H]([NH3+])COC2CCC(C)CC2)c1 ZINC000020545763 171243614 /nfs/dbraw/zinc/24/36/14/171243614.db2.gz JXASISHEAKLKHP-QOJXUVEWSA-N 1 0 261.409 3.899 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2cc(C)ccc2C)cc1 ZINC000020547302 171245016 /nfs/dbraw/zinc/24/50/16/171245016.db2.gz DWMRISYJOIWDFZ-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1F ZINC000020549975 171246714 /nfs/dbraw/zinc/24/67/14/171246714.db2.gz RXJCHMSHOIXLEY-CYBMUJFWSA-N 1 0 288.366 3.859 10 0 CHAERO CC(C)Oc1ccc([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000020553215 171248992 /nfs/dbraw/zinc/24/89/92/171248992.db2.gz HKIMEISSRDVBIU-RLFYNMQTSA-N 1 0 290.451 3.737 10 0 CHAERO C[C@@H]1CN([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000020556018 171250085 /nfs/dbraw/zinc/25/00/85/171250085.db2.gz WMPHWCPDGZLZCH-ZJPYXAASSA-N 1 0 296.499 3.706 10 0 CHAERO CCN([C@@H](C[NH3+])c1ccccc1Cl)C1CCCCC1 ZINC000020559711 171251519 /nfs/dbraw/zinc/25/15/19/171251519.db2.gz XAZWGJFOEORAGA-INIZCTEOSA-N 1 0 280.843 3.994 10 0 CHAERO COc1ccccc1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020564071 171253033 /nfs/dbraw/zinc/25/30/33/171253033.db2.gz VIZZUGXJQYZCPS-HIFRSBDPSA-N 1 0 261.409 4.000 10 0 CHAERO [NH3+][C@H]1CCCCC[C@H]1Oc1ccc2ccccc2c1 ZINC000020564921 171253486 /nfs/dbraw/zinc/25/34/86/171253486.db2.gz OADRDKLOSGOIQV-DLBZAZTESA-N 1 0 255.361 3.879 10 0 CHAERO [NH3+][C@H]1c2ccccc2C[C@H]1Oc1cccc2ccccc21 ZINC000020567409 171255171 /nfs/dbraw/zinc/25/51/71/171255171.db2.gz PLZAAGCJIDPPHA-MOPGFXCFSA-N 1 0 275.351 3.843 10 0 CHAERO c1ccc2c(c1)CCC[C@@H]2OCC[C@H]1CCCC[NH2+]1 ZINC000020593576 171263164 /nfs/dbraw/zinc/26/31/64/171263164.db2.gz ASCNAGANMXXVDQ-WBVHZDCISA-N 1 0 259.393 3.613 10 0 CHAERO Cc1ccccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595942 171264328 /nfs/dbraw/zinc/26/43/28/171264328.db2.gz IEUMFIFJJVMKNA-KRWDZBQOSA-N 1 0 266.388 3.681 10 0 CHAERO Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020596019 171264610 /nfs/dbraw/zinc/26/46/10/171264610.db2.gz IRWCHYVCOBVZJA-INIZCTEOSA-N 1 0 284.378 3.821 10 0 CHAERO CCCOc1ccc(C[NH2+]Cc2cccs2)cc1OC ZINC000020931019 171281033 /nfs/dbraw/zinc/28/10/33/171281033.db2.gz BBNOENVOXIXCLZ-UHFFFAOYSA-N 1 0 291.416 3.835 10 0 CHAERO CCCOc1ccc2ccccc2c1C[NH2+]C1CC1 ZINC000020930714 171281105 /nfs/dbraw/zinc/28/11/05/171281105.db2.gz FIJJPNQNGSYNFZ-UHFFFAOYSA-N 1 0 255.361 3.881 10 0 CHAERO CCn1cc(C[NH2+]Cc2ccc(OC)cc2)c2ccccc21 ZINC000020935224 171281299 /nfs/dbraw/zinc/28/12/99/171281299.db2.gz LXWDCDVUTWTEAV-UHFFFAOYSA-N 1 0 294.398 3.960 10 0 CHAERO CCOc1cc2c(cc1C[NH2+]C1CCCCC1)O[C@@H](C)C2 ZINC000021007880 171285249 /nfs/dbraw/zinc/28/52/49/171285249.db2.gz FHHPNIDGFJSIJF-ZDUSSCGKSA-N 1 0 289.419 3.831 10 0 CHAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000021009268 171285760 /nfs/dbraw/zinc/28/57/60/171285760.db2.gz MADBCCZIIUCEMA-XSLAGTTESA-N 1 0 297.483 3.623 10 0 CHAERO COc1ccc(C)cc1[C@@H]([NH3+])COc1cccc(C)c1C ZINC000021010195 171286882 /nfs/dbraw/zinc/28/68/82/171286882.db2.gz JUXOWVOYDIJQMX-INIZCTEOSA-N 1 0 285.387 3.699 10 0 CHAERO CC[NH+](CC)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000021011456 171287379 /nfs/dbraw/zinc/28/73/79/171287379.db2.gz HCOJJWJRCZKJNJ-JKSUJKDBSA-N 1 0 254.462 3.939 10 0 CHAERO CC[NH+](CC)[C@@H](c1ccccc1)[C@@H](N)Cc1ccccc1 ZINC000021013692 171288869 /nfs/dbraw/zinc/28/88/69/171288869.db2.gz AVAKWBHVJIRYDX-OALUTQOASA-N 1 0 282.431 3.640 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2cccc(C)c2)c(C)c1 ZINC000021019273 171290085 /nfs/dbraw/zinc/29/00/85/171290085.db2.gz AFXMXDWCUWAPJZ-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CC1CC[NH+](C[C@@H](N)c2ccc(C(C)(C)C)cc2)CC1 ZINC000021030337 171291542 /nfs/dbraw/zinc/29/15/42/171291542.db2.gz NOQAVMWIYQDZJE-QGZVFWFLSA-N 1 0 274.452 3.716 10 0 CHAERO Cc1cccc(O[C@@H](C)[C@H]([NH3+])c2ccccc2)c1C ZINC000021057046 171295949 /nfs/dbraw/zinc/29/59/49/171295949.db2.gz DCUAHRWOTCUZKU-YOEHRIQHSA-N 1 0 255.361 3.771 10 0 CHAERO Cc1cccc(OC[C@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000021057629 171296050 /nfs/dbraw/zinc/29/60/50/171296050.db2.gz KHSHBFMLQYVLEY-KRWDZBQOSA-N 1 0 269.388 3.999 10 0 CHAERO c1ccc(CC[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000021503268 171306323 /nfs/dbraw/zinc/30/63/23/171306323.db2.gz KWMQCLYUDOBUCO-GOSISDBHSA-N 1 0 251.373 3.896 10 0 CHAERO C[C@H]1CCCC[N@@H+]1C1(CN)CCC(C(C)(C)C)CC1 ZINC000021504387 171307177 /nfs/dbraw/zinc/30/71/77/171307177.db2.gz MGQRSWMXIBKSOI-UQPPLGOBSA-N 1 0 266.473 3.795 10 0 CHAERO CC[C@H](C)C[C@@](CC)(CN)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508356 171308804 /nfs/dbraw/zinc/30/88/04/171308804.db2.gz SEERTIVLJNUNCR-JONQDZQNSA-N 1 0 254.462 3.508 10 0 CHAERO CN(C[C@H]([NH3+])c1ccc2ccccc2c1)c1ccccc1 ZINC000021510045 171309838 /nfs/dbraw/zinc/30/98/38/171309838.db2.gz HVPVYMLECYXJCY-IBGZPJMESA-N 1 0 276.383 3.976 10 0 CHAERO CCCc1ccc([C@@H]([NH3+])CN2CCc3ccccc32)cc1 ZINC000021513246 171311403 /nfs/dbraw/zinc/31/14/03/171311403.db2.gz USGZLHMCLSURJS-SFHVURJKSA-N 1 0 280.415 3.702 10 0 CHAERO COc1cc(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)cc(OC)c1 ZINC000021515086 171311923 /nfs/dbraw/zinc/31/19/23/171311923.db2.gz FVHOSGFREBVDQB-DCGLDWPTSA-N 1 0 277.408 3.618 10 0 CHAERO C[C@H]([NH3+])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000021786385 171322589 /nfs/dbraw/zinc/32/25/89/171322589.db2.gz NHBHAKIKCWPBIA-NSHDSACASA-N 1 0 263.425 3.877 10 0 CHAERO CC(C)c1ccc([C@H](C[NH3+])N(C)c2ccccc2)cc1 ZINC000021804934 171327064 /nfs/dbraw/zinc/32/70/64/171327064.db2.gz FJEJDSUENMNYRV-SFHVURJKSA-N 1 0 268.404 3.946 10 0 CHAERO Cc1ccc(OC[C@H]([NH3+])c2ccccc2C)cc1C ZINC000021808210 171328099 /nfs/dbraw/zinc/32/80/99/171328099.db2.gz VTTSAJYQCNCXFD-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccccc2F)C1 ZINC000021815084 171331672 /nfs/dbraw/zinc/33/16/72/171331672.db2.gz NKHRDTHKSRGZPD-KYOSRNDESA-N 1 0 265.372 3.747 10 0 CHAERO N[C@H](C[NH+]1CCCCCC1)c1ccc2ccccc2c1 ZINC000021818357 171333124 /nfs/dbraw/zinc/33/31/24/171333124.db2.gz YPKUGPTWZQZYJI-GOSISDBHSA-N 1 0 268.404 3.716 10 0 CHAERO CCN1CCC[C@@H]1C[NH2+]C(CC(C)C)CC(C)C ZINC000021819297 171334192 /nfs/dbraw/zinc/33/41/92/171334192.db2.gz UASNVHNDFKRURM-MRXNPFEDSA-N 1 0 254.462 3.521 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+]C)cc1OCCC ZINC000022143026 171355615 /nfs/dbraw/zinc/35/56/15/171355615.db2.gz RFGWUSGPWJCUCP-LBPRGKRZSA-N 1 0 251.370 3.545 10 0 CHAERO CC[N@H+](C[C@H](N)c1ccc(C)cc1)C1CCCCC1 ZINC000022151143 171358778 /nfs/dbraw/zinc/35/87/78/171358778.db2.gz YRMXCQHHHPBXFX-KRWDZBQOSA-N 1 0 260.425 3.649 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2cc(C)ccc2C)c(C)c1 ZINC000022151937 171359103 /nfs/dbraw/zinc/35/91/03/171359103.db2.gz WBGCCKIGQGXMER-KRWDZBQOSA-N 1 0 269.388 3.999 10 0 CHAERO C[C@@H]([NH3+])CCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000022178203 171371603 /nfs/dbraw/zinc/37/16/03/171371603.db2.gz NYGUDDSVLJHLPK-CYBMUJFWSA-N 1 0 273.351 3.685 10 0 CHAERO Cc1cccc(C(=O)Nc2ccccc2[C@@H](C)[NH3+])c1C ZINC000022220647 171377708 /nfs/dbraw/zinc/37/77/08/171377708.db2.gz CTHONUFRIKDXPB-CYBMUJFWSA-N 1 0 268.360 3.575 10 0 CHAERO [NH3+]Cc1cccc(COc2cccc3ccccc32)c1 ZINC000022221042 171377842 /nfs/dbraw/zinc/37/78/42/171377842.db2.gz JRGOGKUOLUJHBG-UHFFFAOYSA-N 1 0 263.340 3.878 10 0 CHAERO CC[C@H]([NH3+])c1ccccc1OCc1ccc(F)cc1 ZINC000022221788 171378143 /nfs/dbraw/zinc/37/81/43/171378143.db2.gz RHRBTDGFLPPKIO-HNNXBMFYSA-N 1 0 259.324 3.815 10 0 CHAERO CC[C@@H]([NH3+])c1ccccc1OCc1ccc(F)cc1 ZINC000022221786 171378281 /nfs/dbraw/zinc/37/82/81/171378281.db2.gz RHRBTDGFLPPKIO-OAHLLOKOSA-N 1 0 259.324 3.815 10 0 CHAERO CC[C@H]([NH3+])[C@@H](C)Oc1ccccc1-c1ccccc1 ZINC000022562403 171391052 /nfs/dbraw/zinc/39/10/52/171391052.db2.gz UVXAWMTVHHLFGW-CJNGLKHVSA-N 1 0 255.361 3.858 10 0 CHAERO C[C@@H]1CCCC[N@@H+]1C[C@@H](N)c1ccc2ccccc2c1 ZINC000022563388 171391429 /nfs/dbraw/zinc/39/14/29/171391429.db2.gz JDXZNHQWPKVTRF-RDTXWAMCSA-N 1 0 268.404 3.714 10 0 CHAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1cccs1 ZINC000033877428 171823961 /nfs/dbraw/zinc/82/39/61/171823961.db2.gz FOPHCCBLCWDBPD-AWEZNQCLSA-N 1 0 261.390 3.650 10 0 CHAERO CC(C)c1ccc(COc2cccc(C(N)=[NH2+])c2)cc1 ZINC000034957509 171903159 /nfs/dbraw/zinc/90/31/59/171903159.db2.gz QGSVBBRCLJZIIA-UHFFFAOYSA-N 1 0 268.360 3.673 10 0 CHAERO NC(=[NH2+])c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000034958719 171904460 /nfs/dbraw/zinc/90/44/60/171904460.db2.gz PPTLYTQRHAZOJZ-UHFFFAOYSA-N 1 0 295.169 3.856 10 0 CHAERO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCOc2ccccc21 ZINC000034996479 171925886 /nfs/dbraw/zinc/92/58/86/171925886.db2.gz GHXVJLJAGPWIML-UMVBOHGHSA-N 1 0 259.393 3.925 10 0 CHAERO Clc1ccc(CC[NH2+]C[C@@H]2CCCCO2)c(Cl)c1 ZINC000035151096 172014529 /nfs/dbraw/zinc/01/45/29/172014529.db2.gz ZTWIBDARJYKMKQ-ZDUSSCGKSA-N 1 0 288.218 3.695 10 0 CHAERO Brc1ccccc1-c1ccc(C[NH2+]C2CC2)o1 ZINC000035161828 172022364 /nfs/dbraw/zinc/02/23/64/172022364.db2.gz OFARZRWABVALNI-UHFFFAOYSA-N 1 0 292.176 3.961 10 0 CHAERO CN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000035206596 172050883 /nfs/dbraw/zinc/05/08/83/172050883.db2.gz SETWJSQSYNMRTJ-YESZJQIVSA-N 1 0 274.452 3.661 10 0 CHAERO CCC(CC)[N@H+](C)Cc1cc(C(C)=O)ccc1OC ZINC000035230315 172070920 /nfs/dbraw/zinc/07/09/20/172070920.db2.gz YKQYHYMVLCDHAT-UHFFFAOYSA-N 1 0 263.381 3.518 10 0 CHAERO CCc1ccc([C@@H]2C[NH2+]C[C@@H](c3ccccc3)O2)cc1 ZINC000035285534 172103255 /nfs/dbraw/zinc/10/32/55/172103255.db2.gz DOJAXGUFIDYWLG-ROUUACIJSA-N 1 0 267.372 3.651 10 0 CHAERO [NH3+][C@H](c1ccsc1)c1ccc(Br)cc1 ZINC000035379571 172162552 /nfs/dbraw/zinc/16/25/52/172162552.db2.gz GEWGQPFHMNHAPT-NSHDSACASA-N 1 0 268.179 3.559 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cccs2)cc1Br ZINC000035381671 172164690 /nfs/dbraw/zinc/16/46/90/172164690.db2.gz QJECJSNYGQMJBH-LBPRGKRZSA-N 1 0 298.205 3.567 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccc(C)s2)cc1Cl ZINC000035381596 172164868 /nfs/dbraw/zinc/16/48/68/172164868.db2.gz UECOMJGDVOUGAK-ZDUSSCGKSA-N 1 0 267.781 3.767 10 0 CHAERO COc1ccc([C@@H]([NH3+])CCC2CCCC2)cc1F ZINC000035424200 172192889 /nfs/dbraw/zinc/19/28/89/172192889.db2.gz ASKDGWSCCZZPFY-AWEZNQCLSA-N 1 0 251.345 3.805 10 0 CHAERO CC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)c(Br)c1 ZINC000035455457 172206755 /nfs/dbraw/zinc/20/67/55/172206755.db2.gz YKMBIZJRBOEPOL-RNCFNFMXSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1OC)c1ccc(C)s1 ZINC000035458843 172207883 /nfs/dbraw/zinc/20/78/83/172207883.db2.gz NKCNPXKOIVLCHY-CYBMUJFWSA-N 1 0 261.390 3.568 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1ccc(OC)c(Cl)c1 ZINC000035461665 172210088 /nfs/dbraw/zinc/21/00/88/172210088.db2.gz YGSVDKRYNQJOOR-CYBMUJFWSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1ccc(OC)c(Cl)c1 ZINC000035461662 172210391 /nfs/dbraw/zinc/21/03/91/172210391.db2.gz YGSVDKRYNQJOOR-ZDUSSCGKSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)c(Cl)c1)c1ccccc1F ZINC000035462069 172210519 /nfs/dbraw/zinc/21/05/19/172210519.db2.gz IZBXJGKAWHPOAZ-HNNXBMFYSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1OC ZINC000035464541 172212529 /nfs/dbraw/zinc/21/25/29/172212529.db2.gz BNLZVIXYUAEYKW-HNNXBMFYSA-N 1 0 261.752 3.657 10 0 CHAERO C[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000035464355 172212595 /nfs/dbraw/zinc/21/25/95/172212595.db2.gz NQXNBIJRSWFKGH-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1Br ZINC000035465406 172212749 /nfs/dbraw/zinc/21/27/49/172212749.db2.gz LTDRMJADWXOCAT-CQSZACIVSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)cc1)c1ccc(F)cc1Cl ZINC000035465800 172212926 /nfs/dbraw/zinc/21/29/26/172212926.db2.gz ZEWJDCLBJJETBV-HNNXBMFYSA-N 1 0 279.742 3.797 10 0 CHAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000035466858 172215349 /nfs/dbraw/zinc/21/53/49/172215349.db2.gz PWNLBYPIYZTLQO-BLLLJJGKSA-N 1 0 263.381 3.545 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2cc(F)ccc2F)cc1 ZINC000035468670 172218468 /nfs/dbraw/zinc/21/84/68/172218468.db2.gz MXGPHEMITRJLIN-INIZCTEOSA-N 1 0 261.315 3.836 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1Cl ZINC000035488107 172223239 /nfs/dbraw/zinc/22/32/39/172223239.db2.gz PVSIFBUOXGTZOD-GFCCVEGCSA-N 1 0 255.745 3.849 10 0 CHAERO C[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)c1cccnc1 ZINC000035493535 172227293 /nfs/dbraw/zinc/22/72/93/172227293.db2.gz XSQGHWLCAYAQMQ-INIZCTEOSA-N 1 0 254.377 3.688 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)[C@H]1Cc2ccccc2O1 ZINC000035498171 172231490 /nfs/dbraw/zinc/23/14/90/172231490.db2.gz JZRFZIIRUAPRAF-BXUZGUMPSA-N 1 0 279.792 3.666 10 0 CHAERO CC[NH2+][C@@H](c1cc(Br)ccc1OC)C1CCC1 ZINC000035509147 172240575 /nfs/dbraw/zinc/24/05/75/172240575.db2.gz IPUVLWKAIQVJKF-CQSZACIVSA-N 1 0 298.224 3.908 10 0 CHAERO CCC[C@@H]([NH2+]CC)c1ccc(OC)c(Br)c1 ZINC000035508251 172240953 /nfs/dbraw/zinc/24/09/53/172240953.db2.gz LQXMEVYVZJVPME-GFCCVEGCSA-N 1 0 286.213 3.908 10 0 CHAERO CC[NH2+][C@H](c1ccco1)c1ccc2c(c1)CCCC2 ZINC000035510695 172242368 /nfs/dbraw/zinc/24/23/68/172242368.db2.gz LVDSTUUOWXREQA-KRWDZBQOSA-N 1 0 255.361 3.857 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@H]1C[C@@H]1C ZINC000035538715 172244941 /nfs/dbraw/zinc/24/49/41/172244941.db2.gz ALNGGZVLGRFPNY-NURSFMCSSA-N 1 0 253.773 3.655 10 0 CHAERO CCCC[C@H]([NH2+]CC)c1cc(OC)ccc1OC ZINC000035541409 172248462 /nfs/dbraw/zinc/24/84/62/172248462.db2.gz CBFBVCNNBWQLJM-AWEZNQCLSA-N 1 0 251.370 3.545 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(OCC)cc1 ZINC000035541361 172249096 /nfs/dbraw/zinc/24/90/96/172249096.db2.gz WWQHCXVHWRFBHT-LBPRGKRZSA-N 1 0 261.287 3.688 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(CCOC)cc1 ZINC000035541926 172249305 /nfs/dbraw/zinc/24/93/05/172249305.db2.gz GVDRNDGADBSARO-MRXNPFEDSA-N 1 0 275.417 3.636 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)C1CCCC1 ZINC000035546134 172254328 /nfs/dbraw/zinc/25/43/28/172254328.db2.gz NXGDPBKOMAMQRR-INIZCTEOSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@H](c1ccsc1)c1ccc(F)c(F)c1 ZINC000035548576 172257140 /nfs/dbraw/zinc/25/71/40/172257140.db2.gz WOFUSKSAWYUQQN-ZDUSSCGKSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(F)c(F)c1 ZINC000035548614 172257200 /nfs/dbraw/zinc/25/72/00/172257200.db2.gz YPCDHIAHQCYMSE-OAHLLOKOSA-N 1 0 265.303 3.874 10 0 CHAERO CC[NH2+][C@H](c1csc2ccccc12)[C@H]1CCCO1 ZINC000035555276 172261835 /nfs/dbraw/zinc/26/18/35/172261835.db2.gz RSBRQVZAJQBMMV-UKRRQHHQSA-N 1 0 261.390 3.731 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)C[C@H](C)O2 ZINC000035571067 172267064 /nfs/dbraw/zinc/26/70/64/172267064.db2.gz RQRCSAJEONDPNG-CABZTGNLSA-N 1 0 273.298 3.613 10 0 CHAERO CCC[NH2+][C@H](CC)c1ccc(OC)c(Br)c1 ZINC000035572507 172269167 /nfs/dbraw/zinc/26/91/67/172269167.db2.gz WHZWXELGNGMCMY-GFCCVEGCSA-N 1 0 286.213 3.908 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(F)c1)C(CC)CC ZINC000035572420 172269389 /nfs/dbraw/zinc/26/93/89/172269389.db2.gz IHLJIRSVJLOEBC-HNNXBMFYSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@@H](CCC)c1ccc(OC)c(OC)c1 ZINC000035574573 172271132 /nfs/dbraw/zinc/27/11/32/172271132.db2.gz ORTJWQONEPUBEI-ZDUSSCGKSA-N 1 0 251.370 3.545 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(OC)cc1 ZINC000035576231 172273213 /nfs/dbraw/zinc/27/32/13/172273213.db2.gz FBUBYEKWMICRIB-MRXNPFEDSA-N 1 0 259.349 3.686 10 0 CHAERO CCC[NH2+][C@H](CCC)c1ccc(OC)cc1OC ZINC000035581454 172278014 /nfs/dbraw/zinc/27/80/14/172278014.db2.gz DUUIMJMLFXMQPA-CQSZACIVSA-N 1 0 251.370 3.545 10 0 CHAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)[C@@H]1C[C@@H]1C ZINC000035583950 172282295 /nfs/dbraw/zinc/28/22/95/172282295.db2.gz PQZHDGDZZIIGPR-JVLSTEMRSA-N 1 0 251.345 3.531 10 0 CHAERO Clc1ccc2c(c1Cl)OCC[C@H]2[NH2+]C1CC1 ZINC000035652942 172329537 /nfs/dbraw/zinc/32/95/37/172329537.db2.gz LOWOQIRJXQVPQB-SNVBAGLBSA-N 1 0 258.148 3.569 10 0 CHAERO CCC[NH2+][C@H]1CCCOc2ccc(OCCC)cc21 ZINC000035654115 172330689 /nfs/dbraw/zinc/33/06/89/172330689.db2.gz MISVIIPQOUGQLO-HNNXBMFYSA-N 1 0 263.381 3.689 10 0 CHAERO CC(C)[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000035654492 172331633 /nfs/dbraw/zinc/33/16/33/172331633.db2.gz PBAUVFPABMAQAC-LBPRGKRZSA-N 1 0 284.197 3.661 10 0 CHAERO C[NH2+][C@H]1COc2c1cc(C(C)(C)C)cc2C(C)(C)C ZINC000035654748 172331736 /nfs/dbraw/zinc/33/17/36/172331736.db2.gz ZMXLCUSOESDSSL-AWEZNQCLSA-N 1 0 261.409 3.935 10 0 CHAERO Cc1cc2c(c(C)c1Cl)[C@@H]([NH2+]C1CC1)CCCO2 ZINC000035657744 172332282 /nfs/dbraw/zinc/33/22/82/172332282.db2.gz VZGIUEZXKREMKA-LBPRGKRZSA-N 1 0 265.784 3.923 10 0 CHAERO Nc1ccc2[nH]c(CCSc3cccs3)[nH+]c2c1 ZINC000035659210 172335332 /nfs/dbraw/zinc/33/53/32/172335332.db2.gz CCCUURJXPYLNSY-UHFFFAOYSA-N 1 0 275.402 3.541 10 0 CHAERO CCCCCC[C@@](C)(C[NH3+])N(C)Cc1cccs1 ZINC000035717139 172371131 /nfs/dbraw/zinc/37/11/31/172371131.db2.gz FSAUUCKGFFUXRB-HNNXBMFYSA-N 1 0 268.470 3.868 10 0 CHAERO CC[C@H](O)C[N@H+](CCC(C)C)Cc1ccccc1C ZINC000035718237 172372070 /nfs/dbraw/zinc/37/20/70/172372070.db2.gz UDVMNNFUZREAJM-KRWDZBQOSA-N 1 0 263.425 3.614 10 0 CHAERO C[C@H]([NH3+])c1cc(F)ccc1N(C)Cc1cccs1 ZINC000035717706 172372229 /nfs/dbraw/zinc/37/22/29/172372229.db2.gz NTUUHCYKCHVVOO-JTQLQIEISA-N 1 0 264.369 3.543 10 0 CHAERO CN(Cc1ccsc1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000035719129 172372966 /nfs/dbraw/zinc/37/29/66/172372966.db2.gz IMVBRLPLJXSGDR-AWEZNQCLSA-N 1 0 280.824 3.533 10 0 CHAERO [NH3+]Cc1ccccc1Sc1ccc(F)cc1F ZINC000035719909 172374773 /nfs/dbraw/zinc/37/47/73/172374773.db2.gz WTBVHGDZOCZEHQ-UHFFFAOYSA-N 1 0 251.301 3.575 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1ccc(F)cc1F ZINC000035722037 172377572 /nfs/dbraw/zinc/37/75/72/172377572.db2.gz FKMIGXWTQFRLQC-BXKDBHETSA-N 1 0 257.349 3.574 10 0 CHAERO [NH3+]Cc1ccc(F)c(CSc2ccccc2F)c1 ZINC000035723122 172378116 /nfs/dbraw/zinc/37/81/16/172378116.db2.gz AQEQPQBDWWKOCO-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1nc2ccccc2s1 ZINC000035722515 172378121 /nfs/dbraw/zinc/37/81/21/172378121.db2.gz RATJRZZNCHACRA-JQWIXIFHSA-N 1 0 278.446 3.906 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1ccc(Cl)cc1 ZINC000035722555 172378180 /nfs/dbraw/zinc/37/81/80/172378180.db2.gz URZKYMAWJRFHDT-GWCFXTLKSA-N 1 0 255.814 3.950 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1nc2ccccc2[nH]1 ZINC000035723672 172378941 /nfs/dbraw/zinc/37/89/41/172378941.db2.gz WKRXWVRPFXWALU-RISCZKNCSA-N 1 0 275.421 3.563 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1cc(F)ccc1F ZINC000035724997 172380204 /nfs/dbraw/zinc/38/02/04/172380204.db2.gz ZWBRADUGHHYEEL-ZWNOBZJWSA-N 1 0 271.376 3.965 10 0 CHAERO Cc1cc(Cl)c(C(C)C)cc1OCCCC[NH3+] ZINC000035725978 172380929 /nfs/dbraw/zinc/38/09/29/172380929.db2.gz VUWAZESKRWHVCD-UHFFFAOYSA-N 1 0 255.789 3.890 10 0 CHAERO COc1c(C)cnc(C[NH2+][C@@H](C)c2cccs2)c1C ZINC000035737062 172390474 /nfs/dbraw/zinc/39/04/74/172390474.db2.gz CTCWFKGBKNIPGF-LBPRGKRZSA-N 1 0 276.405 3.619 10 0 CHAERO CCC[NH2+][C@@H]1c2cc(F)c(F)cc2SC[C@H]1C ZINC000035762621 172401739 /nfs/dbraw/zinc/40/17/39/172401739.db2.gz SRGLYJHTEDCTMJ-OQPBUACISA-N 1 0 257.349 3.747 10 0 CHAERO O[C@@H](c1ccc(C2CCCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000036173112 172493039 /nfs/dbraw/zinc/49/30/39/172493039.db2.gz SDAWTGLMJVSAPM-SJORKVTESA-N 1 0 259.393 3.520 10 0 CHAERO CC(C)[C@@H]([NH3+])CCc1ccc(OC(F)(F)F)cc1 ZINC000036684021 172654957 /nfs/dbraw/zinc/65/49/57/172654957.db2.gz GZVJMXJOLPZWPE-LBPRGKRZSA-N 1 0 261.287 3.501 10 0 CHAERO COc1ccc([C@H]([NH3+])Cc2ccccc2C)c(Cl)c1 ZINC000036767972 172686203 /nfs/dbraw/zinc/68/62/03/172686203.db2.gz FQZDEFPYIQAUIG-MRXNPFEDSA-N 1 0 275.779 3.900 10 0 CHAERO [NH3+][C@H](c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000036893161 172785144 /nfs/dbraw/zinc/78/51/44/172785144.db2.gz UBMFNIFWWPAFDG-INIZCTEOSA-N 1 0 283.762 3.574 10 0 CHAERO C[C@H](Nc1cccc(Br)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000037209948 173031748 /nfs/dbraw/zinc/03/17/48/173031748.db2.gz XDSULGJCBDUNAP-NWDGAFQWSA-N 1 0 297.240 3.591 10 0 CHAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cc(C)ccc2F)C1 ZINC000037221890 173042579 /nfs/dbraw/zinc/04/25/79/173042579.db2.gz VSPHTCUZLFYJFO-ZIAGYGMSSA-N 1 0 264.388 3.666 10 0 CHAERO CCc1ccc([C@@H]([NH3+])[C@@H](C)Oc2ccccc2)cc1 ZINC000037224100 173044939 /nfs/dbraw/zinc/04/49/39/173044939.db2.gz SUEJYFNGOXOYEV-DYVFJYSZSA-N 1 0 255.361 3.716 10 0 CHAERO CC(C)C[C@H](C)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000037260405 173071003 /nfs/dbraw/zinc/07/10/03/173071003.db2.gz SKAHKRYHPGNOQJ-JTQLQIEISA-N 1 0 269.772 3.593 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)C(C)C ZINC000037272505 173084749 /nfs/dbraw/zinc/08/47/49/173084749.db2.gz NRUFKJPPDIFSPU-WFASDCNBSA-N 1 0 265.397 3.789 10 0 CHAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000037274557 173086664 /nfs/dbraw/zinc/08/66/64/173086664.db2.gz JQMPTMHZUMSXRD-MAZHCROVSA-N 1 0 281.827 3.818 10 0 CHAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1C(C)C ZINC000037294832 173099384 /nfs/dbraw/zinc/09/93/84/173099384.db2.gz PGXDBAAXOXOQJB-UKRRQHHQSA-N 1 0 263.429 3.602 10 0 CHAERO CC1CCC([NH2+]Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000037301036 173106159 /nfs/dbraw/zinc/10/61/59/173106159.db2.gz OOWJRPJNQWWNDU-UHFFFAOYSA-N 1 0 281.783 3.737 10 0 CHAERO CCc1ccc([C@H]([NH3+])c2cccc(OC(F)F)c2)s1 ZINC000037308833 173111690 /nfs/dbraw/zinc/11/16/90/173111690.db2.gz HNDMYIIHRZOGMG-CYBMUJFWSA-N 1 0 283.343 3.960 10 0 CHAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000037313345 173114545 /nfs/dbraw/zinc/11/45/45/173114545.db2.gz LNQGTMVPOHHPBI-UAGQMJEPSA-N 1 0 261.409 3.912 10 0 CHAERO Cc1ccc(C(=O)[C@@H](C)[N@H+](C)C2CCCC2)cc1C ZINC000037334798 173134959 /nfs/dbraw/zinc/13/49/59/173134959.db2.gz RPCPKSCCGQUMLK-CQSZACIVSA-N 1 0 259.393 3.749 10 0 CHAERO CCc1ccc(C(=O)[C@@H](C)[N@H+](CC)CC(C)C)cc1 ZINC000037336414 173137272 /nfs/dbraw/zinc/13/72/72/173137272.db2.gz LWJCPDGGPJQWFU-CQSZACIVSA-N 1 0 261.409 3.798 10 0 CHAERO CCc1ccc(C(=O)[C@H](C)[N@@H+](CC)[C@@H](C)CC)cc1 ZINC000037336733 173137384 /nfs/dbraw/zinc/13/73/84/173137384.db2.gz ZLTUJGAEXUESIG-KBPBESRZSA-N 1 0 261.409 3.941 10 0 CHAERO COc1ccc([C@@H]([NH3+])Cc2ccc(Cl)cc2)c(C)c1 ZINC000037359831 173149344 /nfs/dbraw/zinc/14/93/44/173149344.db2.gz NLGCLHLOTGBGEW-INIZCTEOSA-N 1 0 275.779 3.900 10 0 CHAERO O=C(C[NH2+]C1CCCCCC1)Nc1cccc(Cl)c1 ZINC000037387735 173170828 /nfs/dbraw/zinc/17/08/28/173170828.db2.gz OGNZRSUINZDOAQ-UHFFFAOYSA-N 1 0 280.799 3.591 10 0 CHAERO CC[NH2+][C@H](c1ccccc1)c1cc(C)ccc1OC ZINC000037409609 173185597 /nfs/dbraw/zinc/18/55/97/173185597.db2.gz QMQIOGMWRIDDMC-QGZVFWFLSA-N 1 0 255.361 3.703 10 0 CHAERO CCN(C(C)C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424865 173199189 /nfs/dbraw/zinc/19/91/89/173199189.db2.gz NFBMIRWYJNWNHA-CYBMUJFWSA-N 1 0 275.223 3.724 10 0 CHAERO CC(C)[C@@H](C)[N@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424966 173199201 /nfs/dbraw/zinc/19/92/01/173199201.db2.gz ZSCSCCMPOODNAE-YGRLFVJLSA-N 1 0 289.250 3.970 10 0 CHAERO Cc1ccc2c(c1)nc([C@H]([NH3+])C(C)(C)C)n2C(C)C ZINC000037438483 173208977 /nfs/dbraw/zinc/20/89/77/173208977.db2.gz QQXUHSPTWKPYNH-AWEZNQCLSA-N 1 0 259.397 3.972 10 0 CHAERO CCCC[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441150 173211056 /nfs/dbraw/zinc/21/10/56/173211056.db2.gz QLWNQLSJYKTPFH-SECBINFHSA-N 1 0 282.185 3.515 10 0 CHAERO CC[C@H]([NH3+])c1nc2cc(Br)ccc2n1C(C)C ZINC000037441740 173211168 /nfs/dbraw/zinc/21/11/68/173211168.db2.gz YMIFBTPJYCFSBW-JTQLQIEISA-N 1 0 296.212 3.790 10 0 CHAERO CCCC[C@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441148 173211257 /nfs/dbraw/zinc/21/12/57/173211257.db2.gz QLWNQLSJYKTPFH-VIFPVBQESA-N 1 0 282.185 3.515 10 0 CHAERO [NH3+][C@H](Cc1cccc(Br)c1)C1CCCCC1 ZINC000037466947 173226649 /nfs/dbraw/zinc/22/66/49/173226649.db2.gz RNCJGDKZWQLEMJ-CQSZACIVSA-N 1 0 282.225 3.899 10 0 CHAERO CCC[NH2+][C@@]1(C(=O)OCC)CCCC[C@@H]1C(C)(C)C ZINC000037513477 173244918 /nfs/dbraw/zinc/24/49/18/173244918.db2.gz BTNXVFDIPWMKKZ-CJNGLKHVSA-N 1 0 269.429 3.524 10 0 CHAERO CCC[C@]([NH3+])(c1ccccc1)c1ccccc1OC ZINC000037529828 173252896 /nfs/dbraw/zinc/25/28/96/173252896.db2.gz CQTNYPXBLGFSPQ-KRWDZBQOSA-N 1 0 255.361 3.698 10 0 CHAERO COc1cccc([C@](C)([NH3+])Cc2ccccc2Cl)c1 ZINC000037531524 173253429 /nfs/dbraw/zinc/25/34/29/173253429.db2.gz YMNZKZVAVOSKLE-MRXNPFEDSA-N 1 0 275.779 3.765 10 0 CHAERO [NH3+][C@@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000037533498 173253711 /nfs/dbraw/zinc/25/37/11/173253711.db2.gz DOYHUEZAEHAFHO-AWEZNQCLSA-N 1 0 294.167 3.831 10 0 CHAERO CCC[NH2+][C@@H](c1ccsc1)c1cccc(OC)c1 ZINC000037534730 173254270 /nfs/dbraw/zinc/25/42/70/173254270.db2.gz LZFMHCGOBDSRAN-OAHLLOKOSA-N 1 0 261.390 3.846 10 0 CHAERO CCOc1cccc(C[C@H]([NH3+])CC)c1O[C@@H](C)CC ZINC000037728575 173648052 /nfs/dbraw/zinc/64/80/52/173648052.db2.gz WJGKKLDNNUAVNT-GXTWGEPZSA-N 1 0 265.397 3.542 10 0 CHAERO CCCCOc1c(C[C@@H]([NH3+])CC)cccc1OCC ZINC000037728579 173648327 /nfs/dbraw/zinc/64/83/27/173648327.db2.gz NUUMHDNSNFQQKU-AWEZNQCLSA-N 1 0 265.397 3.544 10 0 CHAERO CCC[NH2+][C@H](CC)CCc1ccc(OC)c(F)c1 ZINC000037948790 173889213 /nfs/dbraw/zinc/88/92/13/173889213.db2.gz VAGQQVSEOKBYGP-CYBMUJFWSA-N 1 0 253.361 3.545 10 0 CHAERO CC[NH2+][C@H](CC)CCc1ccc(OC(F)(F)F)cc1 ZINC000037948742 173889542 /nfs/dbraw/zinc/88/95/42/173889542.db2.gz DUQLOJNNUZUFSX-GFCCVEGCSA-N 1 0 275.314 3.906 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1cc(C)cc(C)c1 ZINC000037996300 173957816 /nfs/dbraw/zinc/95/78/16/173957816.db2.gz QWBVMRQIGHZBPK-QGZVFWFLSA-N 1 0 257.352 3.946 10 0 CHAERO CC[C@H](Cc1cccc(C(F)(F)F)c1)[C@H](C)[NH2+]C ZINC000038004615 173966525 /nfs/dbraw/zinc/96/65/25/173966525.db2.gz KSNHYLHNVWUXCN-CMPLNLGQSA-N 1 0 259.315 3.882 10 0 CHAERO CC[C@H](Cc1cccc(Br)c1)[C@H](C)[NH2+]C ZINC000038004579 173966611 /nfs/dbraw/zinc/96/66/11/173966611.db2.gz DVTZMXMYAOJKGN-CMPLNLGQSA-N 1 0 270.214 3.626 10 0 CHAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(Cl)cc1 ZINC000038009315 173974359 /nfs/dbraw/zinc/97/43/59/173974359.db2.gz FZDKADIBQGAFSF-MLGOLLRUSA-N 1 0 287.790 3.994 10 0 CHAERO CCc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)cc1 ZINC000038028196 174016171 /nfs/dbraw/zinc/01/61/71/174016171.db2.gz HDTWCMBAJUCDTG-HOTGVXAUSA-N 1 0 274.452 3.774 10 0 CHAERO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000038028198 174016710 /nfs/dbraw/zinc/01/67/10/174016710.db2.gz MJNRHIOWJYCRKP-ARFHVFGLSA-N 1 0 254.462 3.665 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)cc1C ZINC000038028648 174017612 /nfs/dbraw/zinc/01/76/12/174017612.db2.gz SHEVGKYZHYTENF-IAGOWNOFSA-N 1 0 274.452 3.828 10 0 CHAERO CC(C)[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1 ZINC000038029122 174019545 /nfs/dbraw/zinc/01/95/45/174019545.db2.gz PIRMLLPUGFLCJA-WMZOPIPTSA-N 1 0 274.452 3.848 10 0 CHAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000038030836 174023108 /nfs/dbraw/zinc/02/31/08/174023108.db2.gz MAFFRMVUCHLLLJ-CVEARBPZSA-N 1 0 287.428 3.808 10 0 CHAERO C[C@H](c1cccc(F)c1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032535 174028646 /nfs/dbraw/zinc/02/86/46/174028646.db2.gz MJSXVWLLUXMCJG-GFCCVEGCSA-N 1 0 270.351 3.527 10 0 CHAERO CCn1c2ccc(F)cc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036796 174035879 /nfs/dbraw/zinc/03/58/79/174035879.db2.gz KADFCJTYCVZBFY-OAHLLOKOSA-N 1 0 275.371 3.775 10 0 CHAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000038050617 174062220 /nfs/dbraw/zinc/06/22/20/174062220.db2.gz FLFRSWXQLFLIPI-OCCSQVGLSA-N 1 0 275.783 3.570 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc2c(c1)CCCO2 ZINC000038057886 174068342 /nfs/dbraw/zinc/06/83/42/174068342.db2.gz KRXWHWPGUKDDLU-OAHLLOKOSA-N 1 0 273.401 3.690 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCCO2 ZINC000038058075 174068855 /nfs/dbraw/zinc/06/88/55/174068855.db2.gz CZHXXHRGAWNYPZ-MRXNPFEDSA-N 1 0 273.401 3.772 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc(OCC)cc2)cc1 ZINC000038070346 174081517 /nfs/dbraw/zinc/08/15/17/174081517.db2.gz OTIPDXZDDQQIMC-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO COc1ccc(-c2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000038070932 174082198 /nfs/dbraw/zinc/08/21/98/174082198.db2.gz RXDZBZSMJPKOCJ-UHFFFAOYSA-N 1 0 253.345 3.614 10 0 CHAERO COc1ccc(-c2ccc(C[NH3+])c(F)c2)cc1Cl ZINC000038073273 174083229 /nfs/dbraw/zinc/08/32/29/174083229.db2.gz APOVIPSWEQJUJI-UHFFFAOYSA-N 1 0 265.715 3.613 10 0 CHAERO CCc1ccc(-c2ccc(OC)c(C[NH2+]C)c2)cc1 ZINC000038072863 174083257 /nfs/dbraw/zinc/08/32/57/174083257.db2.gz SGPFRSLRIJFNDD-UHFFFAOYSA-N 1 0 255.361 3.644 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000038072922 174083282 /nfs/dbraw/zinc/08/32/82/174083282.db2.gz XEFFCNMOLNHIEU-LBPRGKRZSA-N 1 0 253.345 3.569 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1-c1cc(F)ccc1OC ZINC000038073384 174083297 /nfs/dbraw/zinc/08/32/97/174083297.db2.gz YVCZNUDUAJHRKU-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO C[NH2+]Cc1ccc(F)c(-c2ccc(OC)c(C)c2)c1 ZINC000038073668 174083896 /nfs/dbraw/zinc/08/38/96/174083896.db2.gz CVBOFFIEQPLZFE-UHFFFAOYSA-N 1 0 259.324 3.529 10 0 CHAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1cccnc1 ZINC000038077400 174087369 /nfs/dbraw/zinc/08/73/69/174087369.db2.gz JDMFCBZMYUDZQQ-KRWDZBQOSA-N 1 0 254.377 3.592 10 0 CHAERO CCC[NH2+][C@H](c1ccncc1)c1ccccc1Cl ZINC000038078552 174089002 /nfs/dbraw/zinc/08/90/02/174089002.db2.gz KBGLMVWSBLNBIS-OAHLLOKOSA-N 1 0 260.768 3.824 10 0 CHAERO C[C@H](C[NH2+]Cc1sc2ccccc2c1Cl)N(C)C ZINC000038087326 174098830 /nfs/dbraw/zinc/09/88/30/174098830.db2.gz UAWCOQWYNXYKHQ-SNVBAGLBSA-N 1 0 282.840 3.594 10 0 CHAERO Cc1c2ccccc2sc1[C@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000038087352 174099883 /nfs/dbraw/zinc/09/98/83/174099883.db2.gz PHNMEPOVFGIWHZ-YPMHNXCESA-N 1 0 276.449 3.810 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000038095298 174108685 /nfs/dbraw/zinc/10/86/85/174108685.db2.gz CMVKXPNEUXVVCK-KKUMJFAQSA-N 1 0 253.430 3.750 10 0 CHAERO CCCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038095678 174109246 /nfs/dbraw/zinc/10/92/46/174109246.db2.gz JTOJLHZKBDDFHU-RHSMWYFYSA-N 1 0 261.409 3.859 10 0 CHAERO Fc1cccc2c1SCC[C@@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038096355 174110491 /nfs/dbraw/zinc/11/04/91/174110491.db2.gz PSNOCTADHZVDSP-FZMZJTMJSA-N 1 0 281.396 3.521 10 0 CHAERO [NH3+][C@H](Cc1ccccc1F)c1ccccc1Br ZINC000038129980 174131540 /nfs/dbraw/zinc/13/15/40/174131540.db2.gz LAAULSAQVXFXFK-CQSZACIVSA-N 1 0 294.167 3.831 10 0 CHAERO Cc1occc1[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000038128441 174132005 /nfs/dbraw/zinc/13/20/05/174132005.db2.gz SIGNVMGSHZRGLX-CYBMUJFWSA-N 1 0 280.165 3.593 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1C)c1cc(F)cc(F)c1 ZINC000038135899 174133023 /nfs/dbraw/zinc/13/30/23/174133023.db2.gz YTYPUPQHHUINTK-INIZCTEOSA-N 1 0 261.315 3.776 10 0 CHAERO C[N@H+]1Cc2sc(Cl)cc2[C@@H](c2ccccc2)C1 ZINC000038157541 174134515 /nfs/dbraw/zinc/13/45/15/174134515.db2.gz OGVSUHXTKAMGTR-GFCCVEGCSA-N 1 0 263.793 3.979 10 0 CHAERO C[C@@H]1CCC[C@H](C)N1[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000039789095 174173233 /nfs/dbraw/zinc/17/32/33/174173233.db2.gz XWWNILIGXDYPIM-WDMOLILDSA-N 1 0 284.806 3.742 10 0 CHAERO C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1ccccc1Cl ZINC000039789080 174173257 /nfs/dbraw/zinc/17/32/57/174173257.db2.gz ZXDDCMLWQKXSQE-TYNCELHUSA-N 1 0 266.816 3.603 10 0 CHAERO C[C@@H]1CCC[C@H](OC[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000040177337 174202274 /nfs/dbraw/zinc/20/22/74/174202274.db2.gz LPYHLUCXMLVGIY-GMXABZIVSA-N 1 0 269.335 3.560 10 0 CHAERO CCc1ccc(-c2nc(C[NH2+]C(C)C)cs2)cc1 ZINC000040419234 174256984 /nfs/dbraw/zinc/25/69/84/174256984.db2.gz GORNMJSRJLQGHC-UHFFFAOYSA-N 1 0 260.406 3.871 10 0 CHAERO CC[NH2+]Cc1csc(-c2ccc(Br)cc2)n1 ZINC000040420180 174257473 /nfs/dbraw/zinc/25/74/73/174257473.db2.gz GDHLMDJAWYGSBV-UHFFFAOYSA-N 1 0 297.221 3.682 10 0 CHAERO CCc1ccc(-c2csc([C@H](C)C[NH2+]C)n2)cc1 ZINC000041348744 174529544 /nfs/dbraw/zinc/52/95/44/174529544.db2.gz FPBFTORUTYOKRE-LLVKDONJSA-N 1 0 260.406 3.695 10 0 CHAERO CC[NH+](CC)CCCNc1ccccc1C(F)(F)F ZINC000041411003 174549128 /nfs/dbraw/zinc/54/91/28/174549128.db2.gz FUENXATWDHJQKN-UHFFFAOYSA-N 1 0 274.330 3.849 10 0 CHAERO C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000042398402 174709529 /nfs/dbraw/zinc/70/95/29/174709529.db2.gz OUBNCQUFNOHFGW-GWCFXTLKSA-N 1 0 258.192 3.924 10 0 CHAERO [NH3+][C@@H]1CCCC[C@@H]1Cc1ccc(Br)cc1 ZINC000042401855 174710506 /nfs/dbraw/zinc/71/05/06/174710506.db2.gz HOZHJTGHBUHGAH-DGCLKSJQSA-N 1 0 268.198 3.509 10 0 CHAERO C[NH2+]Cc1cc(-c2cc(Cl)ccc2OC)cs1 ZINC000042401990 174710557 /nfs/dbraw/zinc/71/05/57/174710557.db2.gz FYSFHLYIKZXCGA-UHFFFAOYSA-N 1 0 267.781 3.797 10 0 CHAERO Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042859508 174893040 /nfs/dbraw/zinc/89/30/40/174893040.db2.gz PYPYBFGHJDAGAJ-DMDPSCGWSA-N 1 0 252.427 3.928 10 0 CHAERO Cc1ccc(O[C@@H](c2ccccc2)[C@@H](C)[NH3+])cc1C ZINC000042903225 174906979 /nfs/dbraw/zinc/90/69/79/174906979.db2.gz GXMMULOTXSILLH-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO Cc1ccc([C@@H](Oc2cccc(F)c2)[C@H](C)[NH3+])cc1 ZINC000042910852 174910576 /nfs/dbraw/zinc/91/05/76/174910576.db2.gz FFXIQOCCKKPVGL-LRDDRELGSA-N 1 0 259.324 3.601 10 0 CHAERO Cc1ccc([C@@H](Sc2ccccn2)[C@H](C)[NH3+])cc1 ZINC000042911990 174910655 /nfs/dbraw/zinc/91/06/55/174910655.db2.gz RLHILSQSWQKQMA-WFASDCNBSA-N 1 0 258.390 3.571 10 0 CHAERO CCCCO[C@@H](c1ccc(Cl)cc1)[C@H]([NH3+])CC ZINC000042949547 174923372 /nfs/dbraw/zinc/92/33/72/174923372.db2.gz IKWYHJWJUJCTDG-KGLIPLIRSA-N 1 0 255.789 3.935 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000042951667 174924053 /nfs/dbraw/zinc/92/40/53/174924053.db2.gz QEJZLRVBOITZHX-KGLIPLIRSA-N 1 0 295.839 3.644 10 0 CHAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC(F)(F)F ZINC000043014894 174942255 /nfs/dbraw/zinc/94/22/55/174942255.db2.gz UWPYAKCBNBVJTC-NWDGAFQWSA-N 1 0 294.748 3.613 10 0 CHAERO C[C@@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000043017453 174943492 /nfs/dbraw/zinc/94/34/92/174943492.db2.gz XHXACQKGDWHZSZ-BMIGLBTASA-N 1 0 279.742 3.946 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OCCC(C)C)c1cccc(OC)c1 ZINC000043029888 174948216 /nfs/dbraw/zinc/94/82/16/174948216.db2.gz UQRZHJQRBAZZES-HZPDHXFCSA-N 1 0 265.397 3.536 10 0 CHAERO CC[C@H](C)S[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043032217 174949033 /nfs/dbraw/zinc/94/90/33/174949033.db2.gz WFCSUFUUEWTOOG-WDMOLILDSA-N 1 0 253.411 3.615 10 0 CHAERO Cc1ccccc1[C@H](OCCc1cccs1)[C@@H](C)[NH3+] ZINC000043040533 174953317 /nfs/dbraw/zinc/95/33/17/174953317.db2.gz VWVLCSLENYWHCE-CZUORRHYSA-N 1 0 275.417 3.704 10 0 CHAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1)c1ccccc1F ZINC000043046932 174957586 /nfs/dbraw/zinc/95/75/86/174957586.db2.gz PLXCPMNNRSGKHK-MEBBXXQBSA-N 1 0 279.742 3.946 10 0 CHAERO C[C@H]([NH3+])[C@H](Oc1cccc(Cl)c1)c1ccccc1F ZINC000043047133 174957636 /nfs/dbraw/zinc/95/76/36/174957636.db2.gz QBOLUEPNQXXRGR-BONVTDFDSA-N 1 0 279.742 3.946 10 0 CHAERO COc1cccc(S[C@@H](C[NH3+])c2ccccc2F)c1 ZINC000043049197 174957817 /nfs/dbraw/zinc/95/78/17/174957817.db2.gz UUFQHPWGKYBIGO-HNNXBMFYSA-N 1 0 277.364 3.626 10 0 CHAERO [NH3+]C[C@H](Sc1ccc(F)cc1F)c1ccccc1F ZINC000043049923 174958439 /nfs/dbraw/zinc/95/84/39/174958439.db2.gz AGKVIBCEYBJDMI-AWEZNQCLSA-N 1 0 283.318 3.896 10 0 CHAERO CC[C@H]([NH3+])[C@H](OC(C)(C)C)c1ccccc1Cl ZINC000043088163 174963445 /nfs/dbraw/zinc/96/34/45/174963445.db2.gz RXSUCFFPUPPGJS-QWHCGFSZSA-N 1 0 255.789 3.934 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1ccccc1Cl ZINC000043089490 174963576 /nfs/dbraw/zinc/96/35/76/174963576.db2.gz OMFISIMWDQXFSE-OLZOCXBDSA-N 1 0 293.823 3.701 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1cccs1 ZINC000043109471 174973712 /nfs/dbraw/zinc/97/37/12/174973712.db2.gz VADPKOADRCDALN-AGIUHOORSA-N 1 0 253.411 3.733 10 0 CHAERO CC[C@H](C)Oc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH2+]C ZINC000043460239 175050966 /nfs/dbraw/zinc/05/09/66/175050966.db2.gz GBNYNMCNORNGSX-FZMZJTMJSA-N 1 0 263.381 3.686 10 0 CHAERO C[C@@H]1CC[C@H]([NH3+])[C@H](Cc2cccc(Br)c2)C1 ZINC000043652718 175085436 /nfs/dbraw/zinc/08/54/36/175085436.db2.gz XJUKMXCSGDHGSC-OSMZGAPFSA-N 1 0 282.225 3.755 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@H]1Cc1cc(Br)cs1 ZINC000043688137 175095473 /nfs/dbraw/zinc/09/54/73/175095473.db2.gz PSKFMFIBBNDGHB-JOYOIKCWSA-N 1 0 288.254 3.961 10 0 CHAERO CCCc1ccc([C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113904 175141158 /nfs/dbraw/zinc/14/11/58/175141158.db2.gz UZRXQSCXKBBWCB-DAYGRLMNSA-N 1 0 275.436 3.650 10 0 CHAERO Cc1cc(C)c([C@H](O)C[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000044116159 175141631 /nfs/dbraw/zinc/14/16/31/175141631.db2.gz AQIATWOQPRBFNJ-JKSUJKDBSA-N 1 0 261.409 3.520 10 0 CHAERO CCC[C@@H](CCc1cc(Br)cs1)[NH2+]C ZINC000044471113 175177517 /nfs/dbraw/zinc/17/75/17/175177517.db2.gz GWJAXUBSPKLYHL-JTQLQIEISA-N 1 0 276.243 3.831 10 0 CHAERO CCC[C@@H]([NH3+])CCc1sccc1Br ZINC000044470995 175177611 /nfs/dbraw/zinc/17/76/11/175177611.db2.gz CDBWHNYXCQSCLS-MRVPVSSYSA-N 1 0 262.216 3.571 10 0 CHAERO CC(C)(C)[C@@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821336 176007423 /nfs/dbraw/zinc/00/74/23/176007423.db2.gz TZDKZEXGLYGLFZ-GFCCVEGCSA-N 1 0 268.198 3.682 10 0 CHAERO CCC[NH2+][C@@H](CCc1cc(C)ccc1OC)C1CC1 ZINC000070940908 176014818 /nfs/dbraw/zinc/01/48/18/176014818.db2.gz DPPWJHCIUDVJDL-INIZCTEOSA-N 1 0 261.409 3.714 10 0 CHAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)SCc1ccco1 ZINC000071137932 176036459 /nfs/dbraw/zinc/03/64/59/176036459.db2.gz FMTPQSFRDAQVPG-CYBMUJFWSA-N 1 0 255.427 3.926 10 0 CHAERO CCCN([C@@H](c1cccs1)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000071315043 176121599 /nfs/dbraw/zinc/12/15/99/176121599.db2.gz DNKXINKHNFPUCH-UKRRQHHQSA-N 1 0 266.454 3.519 10 0 CHAERO CC(C)Oc1ccc([C@H](C)CCC[NH3+])cc1Cl ZINC000071577228 176205700 /nfs/dbraw/zinc/20/57/00/176205700.db2.gz OQNQUQSZNLKPKG-LLVKDONJSA-N 1 0 255.789 3.970 10 0 CHAERO Clc1ccc(SC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000071588408 176216583 /nfs/dbraw/zinc/21/65/83/176216583.db2.gz CREUCQPSYGQHIZ-QMMMGPOBSA-N 1 0 262.205 3.838 10 0 CHAERO Brc1ccccc1CC[C@H]1CCCC[NH2+]1 ZINC000071599588 176224483 /nfs/dbraw/zinc/22/44/83/176224483.db2.gz UJRAJRZOJUXKPD-GFCCVEGCSA-N 1 0 268.198 3.524 10 0 CHAERO C[NH2+]CCc1ncc(-c2ccc(CC(C)C)cc2)s1 ZINC000071615737 176235059 /nfs/dbraw/zinc/23/50/59/176235059.db2.gz KWPPTRIIEQDSEY-UHFFFAOYSA-N 1 0 274.433 3.771 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2Cc1ccccc1 ZINC000071630433 176236059 /nfs/dbraw/zinc/23/60/59/176236059.db2.gz WXUYMALCQWCXFB-SFHVURJKSA-N 1 0 279.383 3.614 10 0 CHAERO COc1cc2c(cc1OC)C(C)(C)C[NH2+][C@@H]2C(C)(C)C ZINC000071628368 176236347 /nfs/dbraw/zinc/23/63/47/176236347.db2.gz LEWCNAWAWRGIEX-HNNXBMFYSA-N 1 0 277.408 3.672 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2Cc1ccccc1 ZINC000071631845 176236639 /nfs/dbraw/zinc/23/66/39/176236639.db2.gz IISIAGCMCQDBMJ-SFHVURJKSA-N 1 0 281.399 3.860 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2c1cccc(F)c1 ZINC000071633475 176237874 /nfs/dbraw/zinc/23/78/74/176237874.db2.gz GCGGQUZIKKIAAC-QGZVFWFLSA-N 1 0 283.346 3.559 10 0 CHAERO COc1cccc([C@H]2[NH2+]CC(C)(C)c3cc(OC)ccc32)c1 ZINC000071651999 176241554 /nfs/dbraw/zinc/24/15/54/176241554.db2.gz MGJHTBHUSJOSDG-GOSISDBHSA-N 1 0 297.398 3.674 10 0 CHAERO Cc1cc(N)c2cc(NC(=O)c3ccccc3F)ccc2[nH+]1 ZINC000072414095 176398873 /nfs/dbraw/zinc/39/88/73/176398873.db2.gz PVTFETWPYWFOKD-UHFFFAOYSA-N 1 0 295.317 3.517 10 0 CHAERO [NH3+]CCCCc1ccc(Oc2cccc(F)c2)cc1 ZINC000076320695 176986005 /nfs/dbraw/zinc/98/60/05/176986005.db2.gz AQBCUHDOMNDMRK-UHFFFAOYSA-N 1 0 259.324 3.899 10 0 CHAERO C[C@H]([NH3+])Cc1ccc(Oc2ccc(F)cc2F)cc1 ZINC000076359469 177000967 /nfs/dbraw/zinc/00/09/67/177000967.db2.gz AUBMKXKDKQYJCA-JTQLQIEISA-N 1 0 263.287 3.647 10 0 CHAERO CCOc1cc(C)c([C@@H](CC)CC[NH3+])cc1Cl ZINC000076661492 177049349 /nfs/dbraw/zinc/04/93/49/177049349.db2.gz RRXYOSFMOVBRFY-NSHDSACASA-N 1 0 255.789 3.890 10 0 CHAERO CCc1ccc(N(CC[NH3+])CC2CCCCC2)cc1 ZINC000076671540 177053858 /nfs/dbraw/zinc/05/38/58/177053858.db2.gz YFQQHOFCRAXYGJ-UHFFFAOYSA-N 1 0 260.425 3.594 10 0 CHAERO CCSc1ccc([C@H](CC[NH3+])c2ccco2)cc1 ZINC000076673106 177054519 /nfs/dbraw/zinc/05/45/19/177054519.db2.gz NLUCRFDZNBHQKF-AWEZNQCLSA-N 1 0 261.390 3.872 10 0 CHAERO CCc1ccc(OC)c([C@@H](CC[NH3+])C2CCCC2)c1 ZINC000076673329 177054801 /nfs/dbraw/zinc/05/48/01/177054801.db2.gz BZXLWBSJMPDESJ-HNNXBMFYSA-N 1 0 261.409 3.880 10 0 CHAERO [NH3+]CC[C@H](CCc1ccco1)c1ccc(F)cc1F ZINC000076680815 177058295 /nfs/dbraw/zinc/05/82/95/177058295.db2.gz BYFVSHLONFZCBS-NSHDSACASA-N 1 0 265.303 3.623 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccco1)c1ccc(F)c(F)c1 ZINC000076680813 177058384 /nfs/dbraw/zinc/05/83/84/177058384.db2.gz LRRZCEOJSGAIBW-LLVKDONJSA-N 1 0 265.303 3.623 10 0 CHAERO CC[NH2+]CCc1csc(-c2ccc(C)c(C)c2)n1 ZINC000076783324 177091446 /nfs/dbraw/zinc/09/14/46/177091446.db2.gz HWJPYXRUOQEBAZ-UHFFFAOYSA-N 1 0 260.406 3.579 10 0 CHAERO CCCOc1cccc(-c2nc([C@H](C)[NH3+])cs2)c1 ZINC000076784693 177092284 /nfs/dbraw/zinc/09/22/84/177092284.db2.gz XCIAQEBELXKFFU-JTQLQIEISA-N 1 0 262.378 3.619 10 0 CHAERO CC[NH2+][C@H](C)c1csc(CCc2ccccc2)n1 ZINC000076784614 177092472 /nfs/dbraw/zinc/09/24/72/177092472.db2.gz ONQFXYWXKBLRAA-GFCCVEGCSA-N 1 0 260.406 3.599 10 0 CHAERO CCC[NH2+]Cc1oc2c(cccc2Cl)c1COC ZINC000077069196 177184250 /nfs/dbraw/zinc/18/42/50/177184250.db2.gz OHSVVYUBFQTNJV-UHFFFAOYSA-N 1 0 267.756 3.732 10 0 CHAERO COCc1c2ccc(C)c(C)c2oc1C[NH2+]C(C)C ZINC000077070384 177186003 /nfs/dbraw/zinc/18/60/03/177186003.db2.gz CSLUVKFXIAOMKX-UHFFFAOYSA-N 1 0 261.365 3.694 10 0 CHAERO CCc1c(C[NH2+]C)oc2cc(C)c(Cl)c(C)c21 ZINC000077071554 177187685 /nfs/dbraw/zinc/18/76/85/177187685.db2.gz MQYSVKVVMDUXIZ-UHFFFAOYSA-N 1 0 251.757 3.985 10 0 CHAERO COc1ccc([C@H]([NH3+])c2c(C)oc(C)c2C)cc1Cl ZINC000077088679 177212125 /nfs/dbraw/zinc/21/21/25/177212125.db2.gz HMMVCOMHCZIBGC-HNNXBMFYSA-N 1 0 279.767 3.915 10 0 CHAERO COc1ccc(Cl)cc1[C@H](C)CC[NH2+]C1CC1 ZINC000077607517 177284383 /nfs/dbraw/zinc/28/43/83/177284383.db2.gz HMTIJKWNGSEDCR-SNVBAGLBSA-N 1 0 253.773 3.594 10 0 CHAERO CCc1ccccc1Oc1ccc(CC[NH2+]C)cc1 ZINC000077610694 177286953 /nfs/dbraw/zinc/28/69/53/177286953.db2.gz FJIAKSOAXLWECO-UHFFFAOYSA-N 1 0 255.361 3.803 10 0 CHAERO CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[C@@H]2CCO[C@@H]21 ZINC000447533591 260036846 /nfs/dbraw/zinc/03/68/46/260036846.db2.gz RUKYOSGEPCGIBH-URRYWWILSA-N 1 0 277.452 3.748 10 0 CHAERO Cc1cccc(C2CC([NH2+]C[C@@H](O)c3ccccc3)C2)c1 ZINC000036846437 260040053 /nfs/dbraw/zinc/04/00/53/260040053.db2.gz YUYBYVYRFUJUSR-CTWPCTMYSA-N 1 0 281.399 3.564 10 0 CHAERO CC[C@H]([NH2+][C@@H](CC(C)C)CN(C)C)c1ccc(OC)cc1 ZINC000037166865 260072209 /nfs/dbraw/zinc/07/22/09/260072209.db2.gz GIVHHHNNCSFIER-WMZOPIPTSA-N 1 0 292.467 3.712 10 0 CHAERO COc1ccccc1C1CC([NH2+][C@H](C)CC2CC2)C1 ZINC000070100534 260151873 /nfs/dbraw/zinc/15/18/73/260151873.db2.gz CNRQXDCURZGZDS-LRVUVFPRSA-N 1 0 259.393 3.719 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000070280669 260155108 /nfs/dbraw/zinc/15/51/08/260155108.db2.gz UNYMQOWTUMAZKL-GOEBONIOSA-N 1 0 280.843 3.721 10 0 CHAERO Cc1nc(C)c(C[NH2+]C2C3CC4CC(C3)CC2C4)s1 ZINC000080692840 260181397 /nfs/dbraw/zinc/18/13/97/260181397.db2.gz GSINLCDWSZTXKI-UHFFFAOYSA-N 1 0 276.449 3.674 10 0 CHAERO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccc(CO)o2)cc1 ZINC000081554377 260182576 /nfs/dbraw/zinc/18/25/76/260182576.db2.gz LSGBUWBGPCEEEX-AWEZNQCLSA-N 1 0 287.403 3.821 10 0 CHAERO Cc1cccc2c(N3CCSC(C)(C)C3)cc[nH+]c12 ZINC000301664850 260208694 /nfs/dbraw/zinc/20/86/94/260208694.db2.gz KZMCELGDHQGMNF-UHFFFAOYSA-N 1 0 272.417 3.875 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2)cc1F ZINC000088511381 260233144 /nfs/dbraw/zinc/23/31/44/260233144.db2.gz RYZCLKMJQXHFRR-LBPRGKRZSA-N 1 0 259.324 3.691 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)c1 ZINC000091013082 260264476 /nfs/dbraw/zinc/26/44/76/260264476.db2.gz CSRFXRHHTRWYIL-CYBMUJFWSA-N 1 0 260.381 3.959 10 0 CHAERO CCCn1ccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000091009549 260264722 /nfs/dbraw/zinc/26/47/22/260264722.db2.gz SGUCZQZZMVJISD-UHFFFAOYSA-N 1 0 281.403 3.712 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000093248800 260273519 /nfs/dbraw/zinc/27/35/19/260273519.db2.gz SDXRUUULRZDKHN-IBGZPJMESA-N 1 0 281.399 3.853 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1ncc(Br)s1)C(C)C ZINC000126472429 260353051 /nfs/dbraw/zinc/35/30/51/260353051.db2.gz KQLPXUBASMZSJW-BDAKNGLRSA-N 1 0 291.258 3.991 10 0 CHAERO CC[C@H]1CC[C@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000090714315 260388027 /nfs/dbraw/zinc/38/80/27/260388027.db2.gz LNGWFXXEDTXYHS-YOEHRIQHSA-N 1 0 268.404 3.946 10 0 CHAERO CCCCN(CCCC)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130124476 260393887 /nfs/dbraw/zinc/39/38/87/260393887.db2.gz CJUXXFGANMMKGK-RDJZCZTQSA-N 1 0 290.451 3.751 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Br)cc1F ZINC000131910066 260423914 /nfs/dbraw/zinc/42/39/14/260423914.db2.gz WCDRWUWVWSAELD-RGNHYFCHSA-N 1 0 272.161 3.647 10 0 CHAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000162419017 261281336 /nfs/dbraw/zinc/28/13/36/261281336.db2.gz VZPNAUWUZWVFCC-KSSFIOAISA-N 1 0 284.403 3.560 10 0 CHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000106215474 261323721 /nfs/dbraw/zinc/32/37/21/261323721.db2.gz NTYQCMYQTWFPOH-QGZVFWFLSA-N 1 0 283.419 3.591 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1C)C12CC3CC(CC(C3)C1)C2 ZINC000312437083 261537437 /nfs/dbraw/zinc/53/74/37/261537437.db2.gz PTNNPDQDMFRPLK-WSKMQLBPSA-N 1 0 277.452 3.606 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000309824864 262028554 /nfs/dbraw/zinc/02/85/54/262028554.db2.gz XDMLACFRWAMTCT-IIMNLJJBSA-N 1 0 280.209 3.825 10 0 CHAERO COc1ccsc1[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000186082690 262078135 /nfs/dbraw/zinc/07/81/35/262078135.db2.gz KUNNBAZDYYKXMD-AAEUAGOBSA-N 1 0 289.400 3.931 10 0 CHAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000186082653 262078300 /nfs/dbraw/zinc/07/83/00/262078300.db2.gz KUNNBAZDYYKXMD-WCQYABFASA-N 1 0 289.400 3.931 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000218965663 262349236 /nfs/dbraw/zinc/34/92/36/262349236.db2.gz BNSIFNKPCQQLNW-RHSMWYFYSA-N 1 0 254.377 3.821 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC2(F)F)c1C ZINC000390856480 262354287 /nfs/dbraw/zinc/35/42/87/262354287.db2.gz JTKNKFIRCDKYNA-ZWNOBZJWSA-N 1 0 285.382 3.606 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061328033 262394111 /nfs/dbraw/zinc/39/41/11/262394111.db2.gz ONRYWDGPVBLQKE-UKRRQHHQSA-N 1 0 280.481 3.691 10 0 CHAERO C[C@H](CO)[C@H](C)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000125415802 264008101 /nfs/dbraw/zinc/00/81/01/264008101.db2.gz ZRFQIUOAMPAGBS-ZJUUUORDSA-N 1 0 298.308 3.682 10 0 CHAERO CC1(C)C[C@H]([NH2+]C[C@H]2CCC=CO2)c2ccccc2O1 ZINC000188577166 264224618 /nfs/dbraw/zinc/22/46/18/264224618.db2.gz JNVMLJBPXNTYTN-HIFRSBDPSA-N 1 0 273.376 3.571 10 0 CHAERO Cc1cccc([C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157478759 264389575 /nfs/dbraw/zinc/38/95/75/264389575.db2.gz HJLMKFYNAQFXEB-DOPJRALCSA-N 1 0 266.388 3.790 10 0 CHAERO CS[C@H]1CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000361895729 266901403 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CHAERO c1cc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c[nH]1 ZINC000180659011 329221557 /nfs/dbraw/zinc/22/15/57/329221557.db2.gz ZKEBVFDVELFPTA-UHFFFAOYSA-N 1 0 277.371 3.785 10 0 CHAERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1 ZINC000180885167 329223663 /nfs/dbraw/zinc/22/36/63/329223663.db2.gz NHGXFHRILDZQDT-BLLLJJGKSA-N 1 0 298.361 3.602 10 0 CHAERO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000187439423 329357642 /nfs/dbraw/zinc/35/76/42/329357642.db2.gz PFQJEJQEFHGVNG-BEFAXECRSA-N 1 0 298.430 3.806 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]CCC(=O)c2ccc(C)cc2)o1 ZINC000187493878 329358290 /nfs/dbraw/zinc/35/82/90/329358290.db2.gz PUAMAISEVCKOID-AWEZNQCLSA-N 1 0 271.360 3.820 10 0 CHAERO C[C@H](C[NH2+]CC1CCC(C)CC1)c1nccs1 ZINC000230694869 329371147 /nfs/dbraw/zinc/37/11/47/329371147.db2.gz IUWVYCNQOLKCLO-OTTFEQOBSA-N 1 0 252.427 3.663 10 0 CHAERO Cc1csc(C2CC[NH+](Cc3cncc(C)c3)CC2)n1 ZINC000189831143 329389427 /nfs/dbraw/zinc/38/94/27/329389427.db2.gz BNSPLBGIFXRYFC-UHFFFAOYSA-N 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Oc1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000044675245 330331764 /nfs/dbraw/zinc/33/17/64/330331764.db2.gz QPAUYXVLXMVTDM-ZACQAIPSSA-N 1 0 265.356 3.525 10 0 CHAERO COCC[C@@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000081707049 330352081 /nfs/dbraw/zinc/35/20/81/330352081.db2.gz DUBQZMZBKDMVCK-NUYPLMSZSA-N 1 0 267.800 3.601 10 0 CHAERO CCC[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000536955159 330383040 /nfs/dbraw/zinc/38/30/40/330383040.db2.gz UVWVVITWJWJWIX-YPMHNXCESA-N 1 0 268.198 3.552 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1 ZINC000120771213 330391160 /nfs/dbraw/zinc/39/11/60/330391160.db2.gz SRBGBSZFSDGVSR-ZFWWWQNUSA-N 1 0 279.449 3.878 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)Cc2cccs2)c1 ZINC000091010880 330397764 /nfs/dbraw/zinc/39/77/64/330397764.db2.gz KNUUNMHBJARBLH-ZDUSSCGKSA-N 1 0 262.422 3.680 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000091127852 330398840 /nfs/dbraw/zinc/39/88/40/330398840.db2.gz NACFIMVCUARAFT-LBPRGKRZSA-N 1 0 262.422 3.599 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@H]2CCCC23CCC3)C[C@@H](C)O1 ZINC000449305795 330913460 /nfs/dbraw/zinc/91/34/60/330913460.db2.gz UEYIPMVUCPIXRN-NFAWXSAZSA-N 1 0 251.414 3.502 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C[C@H](C)O1 ZINC000459548897 331287387 /nfs/dbraw/zinc/28/73/87/331287387.db2.gz YQMXQSIPCZUTNR-MIFYACCESA-N 1 0 273.420 3.857 10 0 CHAERO C[C@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)[C@H]1CCOC1 ZINC000165315613 331306099 /nfs/dbraw/zinc/30/60/99/331306099.db2.gz HCZQIICWIBGXER-JLJPHGGASA-N 1 0 273.420 3.715 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2ccc(F)cc2Cl)C[C@@H](C)O1 ZINC000466411151 331395704 /nfs/dbraw/zinc/39/57/04/331395704.db2.gz XMYCSFZDVKLULG-GHMZBOCLSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@@H]1CC(C[NH2+]C2CCC(C)(C)CC2)C[C@@H](C)O1 ZINC000466423450 331396397 /nfs/dbraw/zinc/39/63/97/331396397.db2.gz DGMGZAMLQWJJAY-CHWSQXEVSA-N 1 0 253.430 3.748 10 0 CHAERO Cc1cc(C)c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000466423381 331396413 /nfs/dbraw/zinc/39/64/13/331396413.db2.gz CJMXZJYNGKPTDB-HZPDHXFCSA-N 1 0 275.436 3.905 10 0 CHAERO C[C@H]1CC(C[NH2+]CC2CCC(C)(C)CC2)C[C@H](C)O1 ZINC000466424273 331396528 /nfs/dbraw/zinc/39/65/28/331396528.db2.gz DNKKVMLWTKZBMM-KBPBESRZSA-N 1 0 267.457 3.996 10 0 CHAERO CCC1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000466424127 331396536 /nfs/dbraw/zinc/39/65/36/331396536.db2.gz GEDIAMANYCXYCR-ILGZHXLLSA-N 1 0 253.430 3.748 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000466425364 331396640 /nfs/dbraw/zinc/39/66/40/331396640.db2.gz JZRSOUJYRMIMMI-ZSBIGDGJSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000467438268 331419296 /nfs/dbraw/zinc/41/92/96/331419296.db2.gz ZUTSXTBAVUGPST-MGPQQGTHSA-N 1 0 253.430 3.748 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000467439007 331419342 /nfs/dbraw/zinc/41/93/42/331419342.db2.gz JXNOGAGAEREPDB-XJFOESAGSA-N 1 0 289.410 3.994 10 0 CHAERO C[C@@H](CC[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000467548247 331421771 /nfs/dbraw/zinc/42/17/71/331421771.db2.gz YPBMVCFKCVFPGH-NXOAAHMSSA-N 1 0 275.436 3.973 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCOC1CCOCC1 ZINC000090083411 334357010 /nfs/dbraw/zinc/35/70/10/334357010.db2.gz AFLUYLCJRRPPGE-SJORKVTESA-N 1 0 297.483 3.767 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)c2ccccc21 ZINC000252867033 334397806 /nfs/dbraw/zinc/39/78/06/334397806.db2.gz MSUHZUCQLLFHDN-BVPBIZIASA-N 1 0 273.420 3.908 10 0 CHAERO c1c2ccccc2oc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247288982 334278735 /nfs/dbraw/zinc/27/87/35/334278735.db2.gz UAXRPYWKBRNBAC-NVXWUHKLSA-N 1 0 271.360 3.576 10 0 CHAERO COc1cccc([C@H](C)[NH2+][C@H](C)COCc2ccccc2)c1 ZINC000177385534 333058353 /nfs/dbraw/zinc/05/83/53/333058353.db2.gz LUPITMAPMSLBKH-CVEARBPZSA-N 1 0 299.414 3.951 10 0 CHAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C)cc1 ZINC000177411516 333058493 /nfs/dbraw/zinc/05/84/93/333058493.db2.gz QVAUBUDCZOXRGG-CABCVRRESA-N 1 0 290.451 3.716 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C12CCOCC2 ZINC000185668288 333146494 /nfs/dbraw/zinc/14/64/94/333146494.db2.gz IKXJAKZZZQMZCH-BZUAXINKSA-N 1 0 295.467 3.519 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]C2CC(c3ccccc3)C2)o1 ZINC000220935128 333170902 /nfs/dbraw/zinc/17/09/02/333170902.db2.gz AQOPGCLXXYZQEJ-LRVUVFPRSA-N 1 0 256.349 3.580 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]C2CC(c3ccccc3)C2)o1 ZINC000220935190 333170970 /nfs/dbraw/zinc/17/09/70/333170970.db2.gz AQOPGCLXXYZQEJ-GRTSSRMGSA-N 1 0 256.349 3.580 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]C2CC(c3cccc(F)c3)C2)o1 ZINC000220938736 333171193 /nfs/dbraw/zinc/17/11/93/333171193.db2.gz ILDWYODAIQOBCZ-NUYPLMSZSA-N 1 0 274.339 3.719 10 0 CHAERO CC(C)n1cc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000226240437 333254696 /nfs/dbraw/zinc/25/46/96/333254696.db2.gz LDJMBUWDLDDTCF-STQMWFEESA-N 1 0 289.345 3.675 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000226578831 333265244 /nfs/dbraw/zinc/26/52/44/333265244.db2.gz FXTRQZTVNLABOT-DMDPSCGWSA-N 1 0 285.334 3.506 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000226612505 333266103 /nfs/dbraw/zinc/26/61/03/333266103.db2.gz OADHTBIULGDSGB-XSCHDIRWSA-N 1 0 296.455 3.601 10 0 CHAERO CC(C)CN(C(=O)CC1(C[NH3+])CCCCC1)C1CCCC1 ZINC000229414779 333304727 /nfs/dbraw/zinc/30/47/27/333304727.db2.gz MXUJNBWWNQBPJH-UHFFFAOYSA-N 1 0 294.483 3.713 10 0 CHAERO CCC(C)(C)C1CCC([NH2+]CCn2cc(C)cn2)CC1 ZINC000230657240 333319917 /nfs/dbraw/zinc/31/99/17/333319917.db2.gz JSEDKQKKNGEDDE-UHFFFAOYSA-N 1 0 277.456 3.776 10 0 CHAERO COC1CC([NH2+][C@@H](C)c2ccc3ccccc3c2)C1 ZINC000230676356 333320584 /nfs/dbraw/zinc/32/05/84/333320584.db2.gz HUBQAXNHKXKNGT-CDEQTRAXSA-N 1 0 255.361 3.668 10 0 CHAERO CCC[C@H](CCO)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000231382680 333324772 /nfs/dbraw/zinc/32/47/72/333324772.db2.gz RGXXKCQIHJBDDE-KFWWJZLASA-N 1 0 255.446 3.590 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232130179 333334318 /nfs/dbraw/zinc/33/43/18/333334318.db2.gz NBRYVEYZSLYAKW-HOCLYGCPSA-N 1 0 261.409 3.587 10 0 CHAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000037070945 333472057 /nfs/dbraw/zinc/47/20/57/333472057.db2.gz GIYFZOBKLHFTPD-OLZOCXBDSA-N 1 0 265.397 3.791 10 0 CHAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)nc1 ZINC000127045897 333617229 /nfs/dbraw/zinc/61/72/29/333617229.db2.gz LXSOBSUPCXSUAN-ZDUSSCGKSA-N 1 0 258.340 3.688 10 0 CHAERO C[C@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)[C@H]1CCOC1 ZINC000127982555 333639155 /nfs/dbraw/zinc/63/91/55/333639155.db2.gz HIUQFDAXVCTXBM-RNJRCJNSSA-N 1 0 277.452 3.606 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000545982240 334009838 /nfs/dbraw/zinc/00/98/38/334009838.db2.gz RVMYOGPZHKAZAW-XGUBFFRZSA-N 1 0 253.430 3.748 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000545982237 334010366 /nfs/dbraw/zinc/01/03/66/334010366.db2.gz RVMYOGPZHKAZAW-LXTVHRRPSA-N 1 0 253.430 3.748 10 0 CHAERO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1)C(C)C ZINC000133261974 334031838 /nfs/dbraw/zinc/03/18/38/334031838.db2.gz LPENNXJLUMGULT-OAHLLOKOSA-N 1 0 290.451 3.691 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cn2)c1 ZINC000134117485 334080904 /nfs/dbraw/zinc/08/09/04/334080904.db2.gz OHSIRZZSUQTHAP-QWHCGFSZSA-N 1 0 258.340 3.941 10 0 CHAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000134241816 334085251 /nfs/dbraw/zinc/08/52/51/334085251.db2.gz GRIXOTAWTXMDAZ-XHDPSFHLSA-N 1 0 291.391 3.821 10 0 CHAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000245225009 334185177 /nfs/dbraw/zinc/18/51/77/334185177.db2.gz KJLSRKPBOFLTRI-RRFJBIMHSA-N 1 0 290.451 3.593 10 0 CHAERO CCC(CC)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245915104 334223824 /nfs/dbraw/zinc/22/38/24/334223824.db2.gz NBPOECXRJFSVKV-BBRMVZONSA-N 1 0 283.362 3.509 10 0 CHAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000247884273 334291179 /nfs/dbraw/zinc/29/11/79/334291179.db2.gz CLRRQAHUTUFNOB-IJEWVQPXSA-N 1 0 286.419 3.812 10 0 CHAERO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247927190 334291522 /nfs/dbraw/zinc/29/15/22/334291522.db2.gz BSKHSUUHUOTDKH-UKPHBRMFSA-N 1 0 277.383 3.514 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(F)c(Cl)c1 ZINC000247971834 334292627 /nfs/dbraw/zinc/29/26/27/334292627.db2.gz HKYCFNJFZGUAII-ITDIGPHOSA-N 1 0 285.790 3.681 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000247986031 334292947 /nfs/dbraw/zinc/29/29/47/334292947.db2.gz IUXFZVQGYFOCCI-WHOFXGATSA-N 1 0 267.800 3.542 10 0 CHAERO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248145343 334295845 /nfs/dbraw/zinc/29/58/45/334295845.db2.gz QCIQGPCLUAKKIO-UNEWFSDZSA-N 1 0 277.383 3.514 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(F)cc1Cl ZINC000248201198 334297055 /nfs/dbraw/zinc/29/70/55/334297055.db2.gz YUFQFLAVTLJQEX-ZIBATOQPSA-N 1 0 285.790 3.681 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1Br ZINC000248531513 334305009 /nfs/dbraw/zinc/30/50/09/334305009.db2.gz OOPBOOGRNSHMKO-COPLHBTASA-N 1 0 298.224 3.667 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)[C@H]1CCCO1 ZINC000248531514 334305030 /nfs/dbraw/zinc/30/50/30/334305030.db2.gz OOPBOOGRNSHMKO-MISXGVKJSA-N 1 0 298.224 3.667 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C12CCOCC2 ZINC000249052433 334326026 /nfs/dbraw/zinc/32/60/26/334326026.db2.gz GIMVVBJRTQRRMP-LTIDMASMSA-N 1 0 295.467 3.519 10 0 CHAERO CCC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccsc1 ZINC000249066931 334326421 /nfs/dbraw/zinc/32/64/21/334326421.db2.gz IWTLZDVVDCMBTG-QEJZJMRPSA-N 1 0 267.438 3.730 10 0 CHAERO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000250577787 334346412 /nfs/dbraw/zinc/34/64/12/334346412.db2.gz PWQLQLPEGADPMP-OALUTQOASA-N 1 0 287.447 3.937 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000251537945 334363599 /nfs/dbraw/zinc/36/35/99/334363599.db2.gz OAZQOVGBEZLABP-RCBQFDQVSA-N 1 0 281.355 3.622 10 0 CHAERO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000251583915 334364668 /nfs/dbraw/zinc/36/46/68/334364668.db2.gz WPYSBAXBSLCGSH-DOPJRALCSA-N 1 0 267.372 3.902 10 0 CHAERO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H]2c2ccccc2)c1 ZINC000251583923 334364712 /nfs/dbraw/zinc/36/47/12/334364712.db2.gz WPYSBAXBSLCGSH-KKXDTOCCSA-N 1 0 267.372 3.902 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC000251597097 334365055 /nfs/dbraw/zinc/36/50/55/334365055.db2.gz COCUVJUCJJNKQE-IDCJVQTKSA-N 1 0 273.420 3.766 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cc2c(s1)CCCC2 ZINC000251787022 334369524 /nfs/dbraw/zinc/36/95/24/334369524.db2.gz UZUXGSJJLBOPRY-SGMGOOAPSA-N 1 0 279.449 3.845 10 0 CHAERO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCOC2)c2ccccc21 ZINC000251911670 334371764 /nfs/dbraw/zinc/37/17/64/334371764.db2.gz UAPSWNYPRBXPCP-CKEIUWERSA-N 1 0 259.393 3.641 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000252198817 334376470 /nfs/dbraw/zinc/37/64/70/334376470.db2.gz VXCMVGUCLXMBPG-FHLIZLRMSA-N 1 0 251.373 3.968 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ncc(Br)s1 ZINC000252728803 334387473 /nfs/dbraw/zinc/38/74/73/334387473.db2.gz CWMJAUPWTOYJKO-HLTSFMKQSA-N 1 0 289.242 3.745 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ncc(Br)s1 ZINC000252728804 334387709 /nfs/dbraw/zinc/38/77/09/334387709.db2.gz CWMJAUPWTOYJKO-IWSPIJDZSA-N 1 0 289.242 3.745 10 0 CHAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)c2ccsc2S1 ZINC000268971156 334719091 /nfs/dbraw/zinc/71/90/91/334719091.db2.gz AKOIKKQQWYZOOU-VTPLQMEGSA-N 1 0 297.489 3.814 10 0 CHAERO CC/C=C\CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000343576759 335210925 /nfs/dbraw/zinc/21/09/25/335210925.db2.gz VUECFRZNIGNNIQ-FWWRYZNZSA-N 1 0 263.381 3.711 10 0 CHAERO CC(C)CC[C@@H]([NH2+]Cc1nnc(C(C)C)n1C)C(C)(C)C ZINC000179902146 335530584 /nfs/dbraw/zinc/53/05/84/335530584.db2.gz RKWURBPXZJOWRB-CQSZACIVSA-N 1 0 294.487 3.879 10 0 CHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180639212 335615043 /nfs/dbraw/zinc/61/50/43/335615043.db2.gz YUQUBJCZKCFXNY-ZNMIVQPWSA-N 1 0 292.471 3.521 10 0 CHAERO CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000353944041 335755968 /nfs/dbraw/zinc/75/59/68/335755968.db2.gz JGRHULFWRMYJIK-NWDGAFQWSA-N 1 0 289.345 3.675 10 0 CHAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC000385264491 336143229 /nfs/dbraw/zinc/14/32/29/336143229.db2.gz YYZTWSDTRLDPPC-OKZBNKHCSA-N 1 0 277.452 3.892 10 0 CHAERO CC(C)CCC[NH2+]CCSc1nc2ccccc2o1 ZINC000053610576 519641942 /nfs/dbraw/zinc/64/19/42/519641942.db2.gz JSAUFHANNPUJIO-UHFFFAOYSA-N 1 0 278.421 3.946 10 0 CHAERO CC(C)C[NH2+]C[C@@H](C)Cc1ccc(F)cc1Cl ZINC000052967236 519744596 /nfs/dbraw/zinc/74/45/96/519744596.db2.gz LWUHMWKBUODUHB-NSHDSACASA-N 1 0 257.780 3.903 10 0 CHAERO CC(C)C[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1C ZINC000062736477 519746838 /nfs/dbraw/zinc/74/68/38/519746838.db2.gz CCAVJZZZDGFEKH-ZDUSSCGKSA-N 1 0 264.388 3.560 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049195587 519793911 /nfs/dbraw/zinc/79/39/11/519793911.db2.gz VYIGZKOPCWLEHD-SWLSCSKDSA-N 1 0 268.832 3.577 10 0 CHAERO CCCC1CC[NH+](C[C@@H](O)c2ccccc2C)CC1 ZINC000050905284 519901775 /nfs/dbraw/zinc/90/17/75/519901775.db2.gz VBTXDXJSXFLHHY-QGZVFWFLSA-N 1 0 261.409 3.541 10 0 CHAERO CC[NH2+]C[C@@H](CCC(C)C)Cc1ccccc1OC ZINC000052980247 519944044 /nfs/dbraw/zinc/94/40/44/519944044.db2.gz GDRQYTLSAHYQCK-HNNXBMFYSA-N 1 0 263.425 3.900 10 0 CHAERO CCC[NH2+]Cc1ccnc(O[C@H]2CCCC[C@@H]2C)c1 ZINC000051524944 519960112 /nfs/dbraw/zinc/96/01/12/519960112.db2.gz XBEPIFRUEDEXFK-ZFWWWQNUSA-N 1 0 262.397 3.539 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccc(F)cc2F)nc1C ZINC000055266109 519972024 /nfs/dbraw/zinc/97/20/24/519972024.db2.gz FPQMMDQSDJHXEM-UHFFFAOYSA-N 1 0 282.359 3.896 10 0 CHAERO CC[NH2+]C[C@]1(Cc2ccc(Cl)c(Cl)c2)CCOC1 ZINC000054664149 519983720 /nfs/dbraw/zinc/98/37/20/519983720.db2.gz VNUHBQYGCHHTBA-CQSZACIVSA-N 1 0 288.218 3.552 10 0 CHAERO CCC[NH2+][C@@H](C)c1nc2cc(C)ccc2n1C(C)C ZINC000062366288 519990396 /nfs/dbraw/zinc/99/03/96/519990396.db2.gz IWCAUNUYRGHZJE-ZDUSSCGKSA-N 1 0 259.397 3.986 10 0 CHAERO CC[NH2+]Cc1occc1COc1cc(C)cc(C)c1 ZINC000052666406 520029423 /nfs/dbraw/zinc/02/94/23/520029423.db2.gz CZYUSJGWCPAINY-UHFFFAOYSA-N 1 0 259.349 3.585 10 0 CHAERO CCC[NH2+][C@H]1CCCc2nc(N3CCCCC3)sc21 ZINC000054901082 520094712 /nfs/dbraw/zinc/09/47/12/520094712.db2.gz FJOGYIWCTVZBBZ-LBPRGKRZSA-N 1 0 279.453 3.510 10 0 CHAERO CC[NH2+][C@@H](CSC)Cc1ccc(C(C)(C)C)cc1 ZINC000054496229 520101509 /nfs/dbraw/zinc/10/15/09/520101509.db2.gz XXJXVEBOWLGMRY-OAHLLOKOSA-N 1 0 265.466 3.868 10 0 CHAERO CCN(CC)c1nc(C(C)(C)C)c(C[NH2+]C2CC2)s1 ZINC000054995240 520925082 /nfs/dbraw/zinc/92/50/82/520925082.db2.gz LSOVKBSOAGHRJP-UHFFFAOYSA-N 1 0 281.469 3.539 10 0 CHAERO CCCc1nc(N2CCCC2)sc1C[NH2+]C(C)(C)C ZINC000054995134 521530754 /nfs/dbraw/zinc/53/07/54/521530754.db2.gz CXBGBALKFWWORY-UHFFFAOYSA-N 1 0 281.469 3.584 10 0 CHAERO CCCN(CC)[C@@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000052448639 521614566 /nfs/dbraw/zinc/61/45/66/521614566.db2.gz GAWCFDBMNWZSEG-INIZCTEOSA-N 1 0 262.441 3.848 10 0 CHAERO CCC1(CC)CO[C@@H](c2ccccc2)[C@H](C(C)C)[NH2+]1 ZINC000053068379 521690285 /nfs/dbraw/zinc/69/02/85/521690285.db2.gz LVIYVDAEJBDMLT-HOTGVXAUSA-N 1 0 261.409 3.931 10 0 CHAERO C[NH2+]C[C@@H](OCCC(C)C)c1ccccc1Cl ZINC000050493180 522036242 /nfs/dbraw/zinc/03/62/42/522036242.db2.gz BTWUVDSLJWFBLI-CQSZACIVSA-N 1 0 255.789 3.663 10 0 CHAERO C[NH2+]C[C@H](OC1CCCCCC1)c1ccccc1F ZINC000050501139 522076760 /nfs/dbraw/zinc/07/67/60/522076760.db2.gz XGYHASFELDVBFY-INIZCTEOSA-N 1 0 265.372 3.826 10 0 CHAERO C[NH2+]Cc1c(C)cc(C)nc1Oc1cccc(Cl)c1 ZINC000051549595 522099596 /nfs/dbraw/zinc/09/95/96/522099596.db2.gz TYOGLYXRCWWJOM-UHFFFAOYSA-N 1 0 276.767 3.864 10 0 CHAERO C[NH2+]Cc1oc(COc2cc(C)cc(C)c2)cc1C ZINC000052666644 522159998 /nfs/dbraw/zinc/15/99/98/522159998.db2.gz KEAUBPGPWARRCB-UHFFFAOYSA-N 1 0 259.349 3.503 10 0 CHAERO CCc1nc(N2CCC(C)CC2)sc1C[NH2+]CC(C)C ZINC000054995123 522383863 /nfs/dbraw/zinc/38/38/63/522383863.db2.gz SKFXCDDODDQABK-UHFFFAOYSA-N 1 0 295.496 3.687 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2cccc(COC)c2)s1 ZINC000049511009 522446988 /nfs/dbraw/zinc/44/69/88/522446988.db2.gz IKNYMTGARASAEZ-LLVKDONJSA-N 1 0 261.390 3.842 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cc(C)ccc1C ZINC000083441691 535825233 /nfs/dbraw/zinc/82/52/33/535825233.db2.gz UWGNFEFEOCIOIN-HZPDHXFCSA-N 1 0 260.425 3.516 10 0 CHAERO CCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000019902998 517610353 /nfs/dbraw/zinc/61/03/53/517610353.db2.gz UXKOSYPEIJSUGN-QWHCGFSZSA-N 1 0 263.381 3.687 10 0 CHAERO C([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCCCO1 ZINC000052684691 518400804 /nfs/dbraw/zinc/40/08/04/518400804.db2.gz UHXARVRBSGNTOL-FZKCQIBNSA-N 1 0 251.414 3.504 10 0 CHAERO CC(C)(C)[NH2+]CCCCN1CCCc2ccccc21 ZINC000052421406 518754614 /nfs/dbraw/zinc/75/46/14/518754614.db2.gz RRLWAZPLDHJUCJ-UHFFFAOYSA-N 1 0 260.425 3.608 10 0 CHAERO CC(C)(C[NH2+]C1CC1)Cc1c(F)cccc1Cl ZINC000054638372 519266062 /nfs/dbraw/zinc/26/60/62/519266062.db2.gz YODMGEBHFWMJQA-UHFFFAOYSA-N 1 0 255.764 3.800 10 0 CHAERO CC(C)C[C@@H]1C[NH2+]C(C)(C)CN1Cc1cccc(Cl)c1 ZINC000062708892 519271294 /nfs/dbraw/zinc/27/12/94/519271294.db2.gz GENOCXOAPPBXLG-MRXNPFEDSA-N 1 0 294.870 3.939 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(Cl)c1 ZINC000062671494 519273070 /nfs/dbraw/zinc/27/30/70/519273070.db2.gz QGLWGNJCUDNQQN-XJKSGUPXSA-N 1 0 280.843 3.548 10 0 CHAERO CC(C)C[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CCc1ccccc1 ZINC000062705172 519273122 /nfs/dbraw/zinc/27/31/22/519273122.db2.gz DEGZBUZTPRTAEV-RTBURBONSA-N 1 0 288.479 3.574 10 0 CHAERO CC(C)C[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C1CCCCC1 ZINC000062663213 519273911 /nfs/dbraw/zinc/27/39/11/519273911.db2.gz GYKUNEHVVSUGLH-IAGOWNOFSA-N 1 0 266.473 3.664 10 0 CHAERO CC(C)CC[C@H](C)[NH2+]CCN(C)Cc1cccs1 ZINC000053381200 519691480 /nfs/dbraw/zinc/69/14/80/519691480.db2.gz RGHNJRAQFKYAIV-AWEZNQCLSA-N 1 0 268.470 3.594 10 0 CHAERO CC(C)C[N@H+](Cc1ccc(Cl)cc1N)C(C)C ZINC000050443181 519718276 /nfs/dbraw/zinc/71/82/76/519718276.db2.gz SQHBZBFOSOJULP-UHFFFAOYSA-N 1 0 254.805 3.789 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000053010689 519725437 /nfs/dbraw/zinc/72/54/37/519725437.db2.gz YIBUUSZTFAEGHK-LLVKDONJSA-N 1 0 287.234 3.818 10 0 CHAERO CC(C)C[NH2+]C[C@@H](C(C)C)N(CC(C)C)C(C)C ZINC000052572488 519744395 /nfs/dbraw/zinc/74/43/95/519744395.db2.gz UUGMATQSEPODMF-INIZCTEOSA-N 1 0 256.478 3.623 10 0 CHAERO CC(C)C[NH2+]C[C@@]1(CCOC(C)C)C[C@H]2CC[C@@H]1C2 ZINC000054639261 519745813 /nfs/dbraw/zinc/74/58/13/519745813.db2.gz BVWRXKNHRWUPIS-GVDBMIGSSA-N 1 0 267.457 3.854 10 0 CHAERO CC(C)C[NH2+]Cc1cnc(N2CCC(C)(C)CC2)s1 ZINC000061823595 519748566 /nfs/dbraw/zinc/74/85/66/519748566.db2.gz WGYMVHQUOQUIQI-UHFFFAOYSA-N 1 0 281.469 3.515 10 0 CHAERO CC(C)Oc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070161 519783104 /nfs/dbraw/zinc/78/31/04/519783104.db2.gz KPLCMYLQTIWXAG-QGZVFWFLSA-N 1 0 283.371 3.697 10 0 CHAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049197609 519793908 /nfs/dbraw/zinc/79/39/08/519793908.db2.gz UZERJJHMRXOUJO-WDEREUQCSA-N 1 0 274.861 3.638 10 0 CHAERO CC(C)[C@@H](C[NH2+]C1CC1)N(C)Cc1ccc(Cl)cc1 ZINC000052346271 519794805 /nfs/dbraw/zinc/79/48/05/519794805.db2.gz ZCJMUJAIOQVGMG-MRXNPFEDSA-N 1 0 280.843 3.548 10 0 CHAERO CC(C)[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000061686219 519796024 /nfs/dbraw/zinc/79/60/24/519796024.db2.gz YKERDEHTVMOHFE-GXFFZTMASA-N 1 0 275.314 3.747 10 0 CHAERO CC(C)[C@@H]([NH3+])c1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000054556843 519796482 /nfs/dbraw/zinc/79/64/82/519796482.db2.gz FIHWUUOEKCBLHZ-GXFFZTMASA-N 1 0 252.427 3.560 10 0 CHAERO CC(C)[C@H](C)[NH2+]CCn1ccc2ccc(Cl)cc21 ZINC000053529146 519813059 /nfs/dbraw/zinc/81/30/59/519813059.db2.gz QIMMYVJMQQAVIL-LBPRGKRZSA-N 1 0 264.800 3.929 10 0 CHAERO CC(C)c1ccc([C@H](O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000054681752 519840099 /nfs/dbraw/zinc/84/00/99/519840099.db2.gz DQWYSYCSWKYRHA-IRXDYDNUSA-N 1 0 255.361 3.543 10 0 CHAERO CCC[NH2+]CC1(O[C@@H]2CCCC[C@H]2C)CCCC1 ZINC000050491406 519910883 /nfs/dbraw/zinc/91/08/83/519910883.db2.gz QVLPTFVVBSYANG-HUUCEWRRSA-N 1 0 253.430 3.894 10 0 CHAERO CCC[NH2+]CCCc1ccc(Br)cc1F ZINC000052949116 519914007 /nfs/dbraw/zinc/91/40/07/519914007.db2.gz FPMHKDCILPUOEP-UHFFFAOYSA-N 1 0 274.177 3.520 10 0 CHAERO CCC[NH2+]C[C@@H](CCCOC)Cc1ccccc1C ZINC000052978806 519921149 /nfs/dbraw/zinc/92/11/49/519921149.db2.gz SQWXSXRZJHHAOA-INIZCTEOSA-N 1 0 263.425 3.580 10 0 CHAERO CCC[NH2+]C[C@@H](OC(C)(C)C)c1cccc(F)c1 ZINC000050483972 519922019 /nfs/dbraw/zinc/92/20/19/519922019.db2.gz BEJMDQZQNWLMSE-CQSZACIVSA-N 1 0 253.361 3.682 10 0 CHAERO CCC[NH2+]C[C@H](CC)N(C)[C@@H](C)c1ccccc1F ZINC000062020283 519931356 /nfs/dbraw/zinc/93/13/56/519931356.db2.gz IRAFBCJTJILFCM-KBPBESRZSA-N 1 0 266.404 3.597 10 0 CHAERO CC[NH2+]C[C@@H](CCOCC)Cc1ccccc1Cl ZINC000052979574 519946008 /nfs/dbraw/zinc/94/60/08/519946008.db2.gz IKKPXJJUXBAAPH-ZDUSSCGKSA-N 1 0 269.816 3.535 10 0 CHAERO CC[NH2+]C[C@@H](Cc1ccc(OC)c(F)c1)CC(C)C ZINC000052967899 519946422 /nfs/dbraw/zinc/94/64/22/519946422.db2.gz HWIPIPBYICLSPS-CQSZACIVSA-N 1 0 267.388 3.649 10 0 CHAERO CC[NH2+]C[C@@H](OC1CCCCC1)c1ccc(C)cc1 ZINC000050487078 519946193 /nfs/dbraw/zinc/94/61/93/519946193.db2.gz VXZZGEAWCJGUPL-QGZVFWFLSA-N 1 0 261.409 3.995 10 0 CHAERO CC[NH2+]C[C@@H](OCCc1cccs1)c1ccccc1 ZINC000052707652 519948117 /nfs/dbraw/zinc/94/81/17/519948117.db2.gz SYDCAAUJBBKPRC-MRXNPFEDSA-N 1 0 275.417 3.658 10 0 CHAERO CC[NH2+]C[C@@](C)(CC)Oc1ccc(Cl)cc1C ZINC000051959084 519957960 /nfs/dbraw/zinc/95/79/60/519957960.db2.gz AAXQVLPBAPRSNS-CQSZACIVSA-N 1 0 255.789 3.805 10 0 CHAERO CC[NH2+]Cc1cnc(-c2c(F)cccc2Cl)s1 ZINC000052903471 520015875 /nfs/dbraw/zinc/01/58/75/520015875.db2.gz VCWUVTQFINHVMV-UHFFFAOYSA-N 1 0 270.760 3.712 10 0 CHAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[C@@H]1CCCO1 ZINC000054631080 520024508 /nfs/dbraw/zinc/02/45/08/520024508.db2.gz DFKBTTMFZFLEBV-WCXIOVBPSA-N 1 0 267.457 3.996 10 0 CHAERO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1Cc1ccco1 ZINC000062102401 520029785 /nfs/dbraw/zinc/02/97/85/520029785.db2.gz ZSXCPYVNPUTOPM-YOEHRIQHSA-N 1 0 255.361 3.735 10 0 CHAERO CCC[NH2+][C@H](C)c1cnc(-c2cccs2)nc1C ZINC000054963171 520066861 /nfs/dbraw/zinc/06/68/61/520066861.db2.gz XBRHYKFHTOKJKU-SNVBAGLBSA-N 1 0 261.394 3.574 10 0 CHAERO CCC[NH2+][C@H](CC)c1c(C)nn(CC(F)(F)F)c1C ZINC000054719008 520069639 /nfs/dbraw/zinc/06/96/39/520069639.db2.gz ZCQBDXNTRQFPRA-LLVKDONJSA-N 1 0 277.334 3.513 10 0 CHAERO CCCCCCOc1cc(C[NH2+]C(C)C)ccn1 ZINC000051541999 520104142 /nfs/dbraw/zinc/10/41/42/520104142.db2.gz LORPCEQIVPLBJD-UHFFFAOYSA-N 1 0 250.386 3.539 10 0 CHAERO CC[NH2+][C@H](C)c1cnc(N2CCc3ccccc32)s1 ZINC000054899643 520181491 /nfs/dbraw/zinc/18/14/91/520181491.db2.gz PGUGXLFTQIFUHH-LLVKDONJSA-N 1 0 273.405 3.508 10 0 CHAERO CC[NH2+][C@H](Cc1cccs1)c1cc(C)ccc1OC ZINC000052943727 520204813 /nfs/dbraw/zinc/20/48/13/520204813.db2.gz KSFYZBZTUYZYKY-OAHLLOKOSA-N 1 0 275.417 3.958 10 0 CHAERO CC[NH2+][C@H](c1ccc2c(c1)CC(C)(C)O2)[C@H]1C[C@@H]1C ZINC000051755264 520210626 /nfs/dbraw/zinc/21/06/26/520210626.db2.gz OWGNMNOIUDCHEA-HZUKXOBISA-N 1 0 259.393 3.707 10 0 CHAERO CCCOc1cccc([C@H]([NH3+])Cc2ccccc2)c1 ZINC000061667864 520469891 /nfs/dbraw/zinc/46/98/91/520469891.db2.gz JVRYBUJLNKLEKV-QGZVFWFLSA-N 1 0 255.361 3.718 10 0 CHAERO CCCOc1ccccc1O[C@@H](C)C[NH2+]C(C)(C)C ZINC000052649835 520486027 /nfs/dbraw/zinc/48/60/27/520486027.db2.gz UTEWWHWROBVZBY-ZDUSSCGKSA-N 1 0 265.397 3.631 10 0 CHAERO CCC[C@@H](C)N(C)c1nc(C)c(C[NH2+]C(C)(C)C)s1 ZINC000054997716 520648587 /nfs/dbraw/zinc/64/85/87/520648587.db2.gz WRLVIDATBXDYJU-LLVKDONJSA-N 1 0 283.485 3.964 10 0 CHAERO CCC[C@@H]1CCC(=O)[C@@H](C[NH+](CCC)CCC)C1 ZINC000053925394 520815440 /nfs/dbraw/zinc/81/54/40/520815440.db2.gz XQYANVXKLLTEGM-HUUCEWRRSA-N 1 0 253.430 3.894 10 0 CHAERO CCC[C@@](C)(C[NH2+]C1CC1)Cc1cnc(C)s1 ZINC000062337708 520910425 /nfs/dbraw/zinc/91/04/25/520910425.db2.gz CBMYLQZRHIIJPX-CQSZACIVSA-N 1 0 252.427 3.552 10 0 CHAERO Cc1ccc2[nH+]ccc(NCC[C@@H]3CCCO3)c2c1 ZINC000302167487 534523140 /nfs/dbraw/zinc/52/31/40/534523140.db2.gz SBELBEJLAQRGOO-ZDUSSCGKSA-N 1 0 256.349 3.524 10 0 CHAERO CCC[C@H](C)C[C@@H](C[NH2+]C)Cc1ccccc1OC ZINC000052980174 521026898 /nfs/dbraw/zinc/02/68/98/521026898.db2.gz HVYQDLFNIUGFER-LSDHHAIUSA-N 1 0 263.425 3.900 10 0 CHAERO CCCC[C@@](CC)(C[NH3+])CCOCC(F)(F)F ZINC000054636409 521119981 /nfs/dbraw/zinc/11/99/81/521119981.db2.gz MAWYTYOWTLBJDM-LLVKDONJSA-N 1 0 255.324 3.501 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@@H](CC)n1ncc2ccccc21 ZINC000050524734 521156283 /nfs/dbraw/zinc/15/62/83/521156283.db2.gz GEKCGXKGUZCLRQ-LSDHHAIUSA-N 1 0 259.397 3.766 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@@H](CC)Oc1cccc(F)c1F ZINC000062613397 521156489 /nfs/dbraw/zinc/15/64/89/521156489.db2.gz JYGTUMBLIDFGHK-QWHCGFSZSA-N 1 0 271.351 3.900 10 0 CHAERO CCC[C@H]([NH2+]CCc1ccccn1)c1cccs1 ZINC000049544408 521158194 /nfs/dbraw/zinc/15/81/94/521158194.db2.gz INQVMMCXZKAPBN-AWEZNQCLSA-N 1 0 260.406 3.817 10 0 CHAERO CCCC[C@H](CC)Cn1nc(C)c([C@@H](C)[NH3+])c1C ZINC000054716546 521180261 /nfs/dbraw/zinc/18/02/61/521180261.db2.gz IUDISRXREYDKSA-RISCZKNCSA-N 1 0 251.418 3.736 10 0 CHAERO CCCC[C@H](CC)Cn1nc(C)c(C[C@@H](C)[NH3+])c1C ZINC000054741126 521181009 /nfs/dbraw/zinc/18/10/09/521181009.db2.gz NNQWUQHMMFKFDA-DOMZBBRYSA-N 1 0 265.445 3.606 10 0 CHAERO CCC[C@]1(c2nc3cccc(Cl)c3s2)CC[NH2+]C1 ZINC000062915370 521324969 /nfs/dbraw/zinc/32/49/69/521324969.db2.gz IAPVENPGSYUDOO-AWEZNQCLSA-N 1 0 280.824 3.981 10 0 CHAERO CCOc1ccccc1[C@H](C[NH3+])Nc1cccc(C)c1 ZINC000057565552 521589262 /nfs/dbraw/zinc/58/92/62/521589262.db2.gz YOHOGMGQLKITEH-INIZCTEOSA-N 1 0 270.376 3.506 10 0 CHAERO CC[C@H](C)O[C@@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050484604 521754274 /nfs/dbraw/zinc/75/42/74/521754274.db2.gz PXVRXCZVNNRDFX-WFASDCNBSA-N 1 0 253.361 3.680 10 0 CHAERO CC[C@H](C)[C@@](C)([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703271 521895364 /nfs/dbraw/zinc/89/53/64/521895364.db2.gz HGQLKMBOMZHQIM-JOYOIKCWSA-N 1 0 261.287 3.805 10 0 CHAERO C[NH2+]C[C@]1(OC2CCCCCC2)CCC[C@H](C)C1 ZINC000050504796 522099118 /nfs/dbraw/zinc/09/91/18/522099118.db2.gz QXZUPPHKFPURLT-HOCLYGCPSA-N 1 0 253.430 3.894 10 0 CHAERO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000128931406 522213348 /nfs/dbraw/zinc/21/33/48/522213348.db2.gz GGIGABPIIBWVBP-AWEZNQCLSA-N 1 0 283.371 3.632 10 0 CHAERO CC[C@@H](C)[C@@](C)([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703270 522333491 /nfs/dbraw/zinc/33/34/91/522333491.db2.gz HGQLKMBOMZHQIM-BXKDBHETSA-N 1 0 261.287 3.805 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Oc1cccc(F)c1F)c1ccsc1 ZINC000062612061 522336603 /nfs/dbraw/zinc/33/66/03/522336603.db2.gz ZCYDTFKEYBXYQE-FZMZJTMJSA-N 1 0 283.343 3.884 10 0 CHAERO C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000053147156 522359010 /nfs/dbraw/zinc/35/90/10/522359010.db2.gz HJJJLWZBPCCKJF-MFKMUULPSA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@@H](Cc1cccs1)c1ccc2ncccc2c1 ZINC000062802286 522362316 /nfs/dbraw/zinc/36/23/16/522362316.db2.gz XYSDMVITMFUXJG-INIZCTEOSA-N 1 0 268.385 3.800 10 0 CHAERO C[NH2+][C@@H](Cc1cccs1)c1ccc(Cl)s1 ZINC000051172348 522362872 /nfs/dbraw/zinc/36/28/72/522362872.db2.gz UACCINKXZIUVJH-VIFPVBQESA-N 1 0 257.811 3.966 10 0 CHAERO C[NH2+][C@@H](Cc1nc(C)cs1)c1cc(C)ccc1C ZINC000055268044 522364555 /nfs/dbraw/zinc/36/45/55/522364555.db2.gz NAIYLQJXKJKSJO-AWEZNQCLSA-N 1 0 260.406 3.572 10 0 CHAERO C[NH2+][C@@H](c1cccc(F)c1)c1ccc(F)c(Cl)c1 ZINC000062792333 522372949 /nfs/dbraw/zinc/37/29/49/522372949.db2.gz YQBGHSHWIIYGHX-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@@H](c1ccsc1)c1ccccc1OC(F)(F)F ZINC000055223291 522374268 /nfs/dbraw/zinc/37/42/68/522374268.db2.gz OJYZZBNOORSHLA-LBPRGKRZSA-N 1 0 287.306 3.956 10 0 CHAERO C[NH2+][C@@H]1CCc2c1cccc2OCc1cccs1 ZINC000062799218 522397573 /nfs/dbraw/zinc/39/75/73/522397573.db2.gz GFKHSMJRRMTWLM-CQSZACIVSA-N 1 0 259.374 3.534 10 0 CHAERO C[NH2+][C@H](C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000054440924 522470852 /nfs/dbraw/zinc/47/08/52/522470852.db2.gz HGNGRANMCHXOLT-IAGOWNOFSA-N 1 0 255.361 3.669 10 0 CHAERO C[NH2+][C@H](C[C@@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223490 522471125 /nfs/dbraw/zinc/47/11/25/522471125.db2.gz RKABYINZNUTEAQ-JOYOIKCWSA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000054456002 522472569 /nfs/dbraw/zinc/47/25/69/522472569.db2.gz HFIWKOILDALHAH-GFCCVEGCSA-N 1 0 253.704 3.575 10 0 CHAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCCO1 ZINC000050961741 522477260 /nfs/dbraw/zinc/47/72/60/522477260.db2.gz ANQVGJOLCXCKKJ-QWHCGFSZSA-N 1 0 274.191 3.823 10 0 CHAERO C[NH2+][C@H]1CCCCC[C@H]1c1cccc2cnccc21 ZINC000061124729 522490561 /nfs/dbraw/zinc/49/05/61/522490561.db2.gz GBRSZMPGSDYIBN-IRXDYDNUSA-N 1 0 254.377 3.871 10 0 CHAERO C[NH2+][C@H]1CCC[C@H]1CCOc1cccc(Br)c1 ZINC000049597074 522499199 /nfs/dbraw/zinc/49/91/99/522499199.db2.gz AJNLEOXDIYQNNN-FZMZJTMJSA-N 1 0 298.224 3.606 10 0 CHAERO CCc1nc2ccccc2n1[C@H](C)C[NH2+][C@@H](C)CC ZINC000062808117 522507159 /nfs/dbraw/zinc/50/71/59/522507159.db2.gz JKIUIGDFXQSPQU-QWHCGFSZSA-N 1 0 259.397 3.548 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1F)c1ccsc1 ZINC000062612063 522646050 /nfs/dbraw/zinc/64/60/50/522646050.db2.gz ZCYDTFKEYBXYQE-RISCZKNCSA-N 1 0 283.343 3.884 10 0 CHAERO CC[C@@H]([NH2+]C[C@@H](O)c1cccs1)c1cccs1 ZINC000049530476 522851692 /nfs/dbraw/zinc/85/16/92/522851692.db2.gz JUGQVXKNUSQLHG-GHMZBOCLSA-N 1 0 267.419 3.584 10 0 CHAERO CC[C@@H](c1ccccc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080244 523099960 /nfs/dbraw/zinc/09/99/60/523099960.db2.gz YIGNABDALVBUGO-KRWDZBQOSA-N 1 0 296.418 3.504 10 0 CHAERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050442890 523178327 /nfs/dbraw/zinc/17/83/27/523178327.db2.gz ZHQQEVDEBVSKDM-CYBMUJFWSA-N 1 0 252.789 3.687 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1O[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000050504319 523208617 /nfs/dbraw/zinc/20/86/17/523208617.db2.gz MIYIFALGRRDUFO-XUWVNRHRSA-N 1 0 253.430 3.879 10 0 CHAERO CC[C@@H]1CSC(N[C@@H](C)c2ccc(Cl)cc2)=[NH+]1 ZINC000049526542 523519615 /nfs/dbraw/zinc/51/96/15/523519615.db2.gz CNIFKKBLLZRVFE-JOYOIKCWSA-N 1 0 268.813 3.872 10 0 CHAERO CC[C@@H]1CSC(N[C@H](c2cccs2)C(C)C)=[NH+]1 ZINC000049559183 523520095 /nfs/dbraw/zinc/52/00/95/523520095.db2.gz RYXFMGMMCLITAF-PWSUYJOCSA-N 1 0 268.451 3.916 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CCCC(F)(F)F)c1C ZINC000211104089 523662656 /nfs/dbraw/zinc/66/26/56/523662656.db2.gz XZCXMIFUVLJKNT-VIFPVBQESA-N 1 0 277.334 3.513 10 0 CHAERO CC[C@@](C[NH3+])(Cc1ccc(C)cc1)c1ccccc1 ZINC000054636732 523682782 /nfs/dbraw/zinc/68/27/82/523682782.db2.gz YAGHKUCFAPKHBA-SFHVURJKSA-N 1 0 253.389 3.844 10 0 CHAERO CCc1ccc(C[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000052946599 523951177 /nfs/dbraw/zinc/95/11/77/523951177.db2.gz YIZGDXFNHUISRX-AWEZNQCLSA-N 1 0 259.418 3.671 10 0 CHAERO CC[C@H](C)[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062625645 523961704 /nfs/dbraw/zinc/96/17/04/523961704.db2.gz UIKJECAASNYXBD-JYJNAYRXSA-N 1 0 254.462 3.520 10 0 CHAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cc(F)cc(F)c1 ZINC000054935070 524143109 /nfs/dbraw/zinc/14/31/09/524143109.db2.gz VHTYSJDDKHMUOY-ABAIWWIYSA-N 1 0 269.335 3.512 10 0 CHAERO Cc1cc(C(C)(C)C)ccc1O[C@H](C)C[NH2+]C1CC1 ZINC000052698794 524200679 /nfs/dbraw/zinc/20/06/79/524200679.db2.gz YXNDIWVLARZBDK-CYBMUJFWSA-N 1 0 261.409 3.812 10 0 CHAERO C[C@@H]1CCC[C@@H](Sc2nc3c(cc2C[NH3+])CCC3)C1 ZINC000054692447 524320777 /nfs/dbraw/zinc/32/07/77/524320777.db2.gz IXBZUWNFFSKTSX-BXUZGUMPSA-N 1 0 276.449 3.700 10 0 CHAERO Cc1ccc(C[N@H+]2CC(C)(C)NC[C@@H]2CC(C)C)cc1 ZINC000062668201 524434213 /nfs/dbraw/zinc/43/42/13/524434213.db2.gz UBQRDURYKIEKCZ-KRWDZBQOSA-N 1 0 274.452 3.594 10 0 CHAERO COc1ccccc1C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054630628 524507559 /nfs/dbraw/zinc/50/75/59/524507559.db2.gz PMIGJAGUGBWGPT-BPUTZDHNSA-N 1 0 261.409 3.637 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000157327067 524873966 /nfs/dbraw/zinc/87/39/66/524873966.db2.gz PVBVQPKTUPLQTR-UAGQMJEPSA-N 1 0 291.460 3.700 10 0 CHAERO Cc1ccc(N(C)CCCCC[NH2+]CC(C)C)cc1 ZINC000052509600 524885140 /nfs/dbraw/zinc/88/51/40/524885140.db2.gz CCJFDNZBNFTYRO-UHFFFAOYSA-N 1 0 262.441 3.847 10 0 CHAERO Cc1cc(F)ccc1[C@H](CN)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000050579147 525007846 /nfs/dbraw/zinc/00/78/46/525007846.db2.gz SFDQQLDNHBVUMC-WFASDCNBSA-N 1 0 266.404 3.500 10 0 CHAERO Cc1ccccc1C[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062671249 525139688 /nfs/dbraw/zinc/13/96/88/525139688.db2.gz VXGUVDUSIQWXHT-IBGZPJMESA-N 1 0 280.415 3.532 10 0 CHAERO Cc1ccccc1CN1C[C@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062671203 525145468 /nfs/dbraw/zinc/14/54/68/525145468.db2.gz NBICGFOCQVDOLC-QFBILLFUSA-N 1 0 280.415 3.530 10 0 CHAERO Cc1ccccc1CSCc1ccc(C[NH3+])cc1 ZINC000054964282 525183396 /nfs/dbraw/zinc/18/33/96/525183396.db2.gz PAHWPCHEQCLTTJ-UHFFFAOYSA-N 1 0 257.402 3.887 10 0 CHAERO Cc1cc(OCc2ccoc2C[NH3+])cc(C)c1Cl ZINC000052700043 525376217 /nfs/dbraw/zinc/37/62/17/525376217.db2.gz RKDVDHWNAKHFNU-UHFFFAOYSA-N 1 0 265.740 3.588 10 0 CHAERO Cc1ccc(O[C@H](C)C[NH2+]CC(C)C)c(Cl)c1 ZINC000054368930 525469533 /nfs/dbraw/zinc/46/95/33/525469533.db2.gz WGFRJWIRDDPEDO-GFCCVEGCSA-N 1 0 255.789 3.661 10 0 CHAERO C[C@H](Oc1ccc(C(N)=[NH2+])cc1Cl)c1ccccc1 ZINC000062794498 525928112 /nfs/dbraw/zinc/92/81/12/525928112.db2.gz BJJXVEIPTCFDSM-JTQLQIEISA-N 1 0 274.751 3.764 10 0 CHAERO C[C@@H](c1ccc(Cl)cc1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602563 526044700 /nfs/dbraw/zinc/04/47/00/526044700.db2.gz RRVRQVOKVYIHDF-RJPYNODJSA-N 1 0 278.827 3.745 10 0 CHAERO COc1cccc(C[C@H](C[NH2+]CC(C)C)C(C)C)c1 ZINC000052972723 526078605 /nfs/dbraw/zinc/07/86/05/526078605.db2.gz ZMGAHQFHQBDMKW-MRXNPFEDSA-N 1 0 263.425 3.756 10 0 CHAERO C[C@H](c1ccsc1)N1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000061363900 526163837 /nfs/dbraw/zinc/16/38/37/526163837.db2.gz DOIMAWXRLBBSEN-CHWSQXEVSA-N 1 0 266.454 3.519 10 0 CHAERO C[C@H]1CCCC[C@@H]1[NH2+]CCOCC1CCCCC1 ZINC000053590292 526258279 /nfs/dbraw/zinc/25/82/79/526258279.db2.gz TUHDJJYINUWOLP-HOCLYGCPSA-N 1 0 253.430 3.752 10 0 CHAERO NC(=[NH2+])c1ccc(Cl)cc1Oc1ccc(F)cc1 ZINC000062789057 526823423 /nfs/dbraw/zinc/82/34/23/526823423.db2.gz XSWDHQQEAACDCU-UHFFFAOYSA-N 1 0 264.687 3.555 10 0 CHAERO Clc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCC1)CCO2 ZINC000052208527 526928364 /nfs/dbraw/zinc/92/83/64/526928364.db2.gz XKXKMOXLWCASPY-LBPRGKRZSA-N 1 0 272.175 3.959 10 0 CHAERO [NH3+][C@@H](CC(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000061703658 527329474 /nfs/dbraw/zinc/32/94/74/527329474.db2.gz CANPORDRAICTLK-QMMMGPOBSA-N 1 0 273.176 3.537 10 0 CHAERO [NH3+][C@@H](c1ccccc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000054682595 527338409 /nfs/dbraw/zinc/33/84/09/527338409.db2.gz HSMFVAXDTPGGAJ-UONOGXRCSA-N 1 0 282.170 3.727 10 0 CHAERO [NH3+][C@H](Cc1ccsc1)C1(c2ccccc2)CCC1 ZINC000062781675 527389547 /nfs/dbraw/zinc/38/95/47/527389547.db2.gz AIAFBCLRFNIVLH-OAHLLOKOSA-N 1 0 257.402 3.740 10 0 CHAERO [NH3+][C@H]1CCCC[C@@H]1CCOc1ccc(Br)cc1 ZINC000049597116 527396796 /nfs/dbraw/zinc/39/67/96/527396796.db2.gz HBJGLFOCCGPTTQ-RISCZKNCSA-N 1 0 298.224 3.736 10 0 CHAERO [NH3+][C@H]1CCc2c1cccc2OCc1ccc(Cl)s1 ZINC000062798614 527416654 /nfs/dbraw/zinc/41/66/54/527416654.db2.gz DZYWZRBVWNUJEO-LBPRGKRZSA-N 1 0 279.792 3.927 10 0 CHAERO FC(F)(F)c1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070306 527685004 /nfs/dbraw/zinc/68/50/04/527685004.db2.gz RHDOZYMZAAQZMF-AWEZNQCLSA-N 1 0 293.288 3.929 10 0 CHAERO CC(C)c1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C(C)C)cc1 ZINC000083441785 535372503 /nfs/dbraw/zinc/37/25/03/535372503.db2.gz QNKVELMHSZPQGC-PBHICJAKSA-N 1 0 260.425 3.633 10 0 CHAERO Cc1[nH+]ccc(N2CCC[C@H](C)[C@H]2C)c1Br ZINC000669379416 566950539 /nfs/dbraw/zinc/95/05/39/566950539.db2.gz ABCQSKDDUITXDP-GXSJLCMTSA-N 1 0 283.213 3.777 10 0 CHAERO [NH3+]C1(c2ccc(Br)cc2)CC2(CCC2)C1 ZINC000083174096 570273314 /nfs/dbraw/zinc/27/33/14/570273314.db2.gz LCSNCEIELJNIMZ-UHFFFAOYSA-N 1 0 266.182 3.567 10 0 CHAERO C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000004744017 560199920 /nfs/dbraw/zinc/19/99/20/560199920.db2.gz GWLZIXUQGCRFNW-QSMSVPEVSA-N 1 0 289.463 3.652 10 0 in-vitro CHAERO Cc1ccc([C@@H](O)C[NH2+]C(C)(C)C)c2ccccc12 ZINC000399841884 566944266 /nfs/dbraw/zinc/94/42/66/566944266.db2.gz HXGDFAMFUOVVLE-INIZCTEOSA-N 1 0 257.377 3.570 10 0 CHAERO C[C@@H]([NH3+])CCc1cn(Cc2ccccc2)c2ccccc12 ZINC000024542850 567882373 /nfs/dbraw/zinc/88/23/73/567882373.db2.gz ZZWUHOZDPZGSHO-OAHLLOKOSA-N 1 0 278.399 3.969 10 0 CHAERO CCn1nc(C[NH2+]C2CCCCCC2)c(-c2ccccc2)n1 ZINC000057353237 567895053 /nfs/dbraw/zinc/89/50/53/567895053.db2.gz QHCBNZLJBXMTGE-UHFFFAOYSA-N 1 0 298.434 3.777 10 0 CHAERO CCCn1cc(C[NH2+]CCCOC(C)C)c2ccccc21 ZINC000057353297 567895210 /nfs/dbraw/zinc/89/52/10/567895210.db2.gz MZMBHIWRZBMRNH-UHFFFAOYSA-N 1 0 288.435 3.956 10 0 CHAERO Cc1ccccc1COc1cccc(C[NH2+]C2CC2)c1 ZINC000032115717 567955888 /nfs/dbraw/zinc/95/58/88/567955888.db2.gz ZAVNDHMLKDZFGD-UHFFFAOYSA-N 1 0 267.372 3.826 10 0 CHAERO C[C@H]1CCC[N@@H+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000685960787 570406862 /nfs/dbraw/zinc/40/68/62/570406862.db2.gz CIYOGAUTLOVPJC-YOEHRIQHSA-N 1 0 296.455 3.508 10 0 CHAERO C[N+](C)(Cc1ccc(F)c(Cl)c1)C1CCCC1 ZINC000188634437 717157889 /nfs/dbraw/zinc/15/78/89/717157889.db2.gz HTTFYSOIZNCCGB-UHFFFAOYSA-N 1 0 256.772 3.998 10 0 CHAERO c1csc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000195348981 1125564718 /nfs/dbraw/zinc/56/47/18/1125564718.db2.gz QKKVBMKBLKCKHZ-OAHLLOKOSA-N 1 0 272.417 3.565 10 0 CHAERO c1ccc2c(c1)CCC[C@H]2[C@@H]1CCC[N@H+]1Cc1cncnc1 ZINC000361155934 1127543469 /nfs/dbraw/zinc/54/34/69/1127543469.db2.gz YBKZLZWYWZKOBJ-MOPGFXCFSA-N 1 0 293.414 3.561 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000103962135 1120026276 /nfs/dbraw/zinc/02/62/76/1120026276.db2.gz FDDOYWLHBLCLFY-JQWIXIFHSA-N 1 0 282.453 3.579 10 0 CHAERO Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1F ZINC000095582030 185011404 /nfs/dbraw/zinc/01/14/04/185011404.db2.gz KVFNSHFLLSVMNF-UHFFFAOYSA-N 1 0 275.367 3.590 10 0 CHAERO CCc1nc(-c2cccc(OC)c2)sc1C[NH2+]C(C)C ZINC000082424411 177998725 /nfs/dbraw/zinc/99/87/25/177998725.db2.gz CFZVQRAFQRIXQF-UHFFFAOYSA-N 1 0 290.432 3.879 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cccc(OC)c2)nc1CC ZINC000082424412 177998780 /nfs/dbraw/zinc/99/87/80/177998780.db2.gz FWYAHSNVDKNQQI-UHFFFAOYSA-N 1 0 290.432 3.881 10 0 CHAERO CCCc1nc(CC(C)C)sc1C[NH2+]C(C)C ZINC000082428011 178003434 /nfs/dbraw/zinc/00/34/34/178003434.db2.gz BLUDWZJFSNAGNY-UHFFFAOYSA-N 1 0 254.443 3.792 10 0 CHAERO CCCc1nc(-c2cccc(OCC)c2)sc1C[NH3+] ZINC000082428384 178004648 /nfs/dbraw/zinc/00/46/48/178004648.db2.gz TUCMTFHVBJITGL-UHFFFAOYSA-N 1 0 276.405 3.620 10 0 CHAERO C[NH2+]Cc1sc(-c2ccccc2C)nc1C(C)C ZINC000082429417 178006781 /nfs/dbraw/zinc/00/67/81/178006781.db2.gz TVDKMPYYMDDROR-UHFFFAOYSA-N 1 0 260.406 3.961 10 0 CHAERO CC[NH2+]Cc1sc(CSCC)nc1C(C)C ZINC000082430176 178008291 /nfs/dbraw/zinc/00/82/91/178008291.db2.gz JZWHJDZMBLRQCA-UHFFFAOYSA-N 1 0 258.456 3.629 10 0 CHAERO C[NH2+]Cc1sc(-c2c(F)cccc2F)nc1C1CC1 ZINC000082435741 178013310 /nfs/dbraw/zinc/01/33/10/178013310.db2.gz UYWDAQUHWJZZLF-UHFFFAOYSA-N 1 0 280.343 3.685 10 0 CHAERO CC[NH2+]Cc1sc(-c2cccc(OC)c2)nc1C1CC1 ZINC000082436662 178014484 /nfs/dbraw/zinc/01/44/84/178014484.db2.gz HHWZQYWTAMVBKF-UHFFFAOYSA-N 1 0 288.416 3.806 10 0 CHAERO CSCc1nc(C(C)(C)C)c(C[NH2+]C2CC2)s1 ZINC000082439595 178017873 /nfs/dbraw/zinc/01/78/73/178017873.db2.gz VJFYPYVBDOGUQH-UHFFFAOYSA-N 1 0 270.467 3.556 10 0 CHAERO CC[NH2+][C@H]1CC2(CCCCC2)Oc2ccc(F)cc21 ZINC000082509122 178075504 /nfs/dbraw/zinc/07/55/04/178075504.db2.gz DMWDDLQHNCHFHP-AWEZNQCLSA-N 1 0 263.356 3.962 10 0 CHAERO C[C@H](CSC(F)(F)F)[NH2+]Cc1ccc(F)cc1 ZINC000095918328 185030522 /nfs/dbraw/zinc/03/05/22/185030522.db2.gz GVUDVYWFHBBPNX-MRVPVSSYSA-N 1 0 267.291 3.557 10 0 CHAERO [NH3+]Cc1cscc1-c1cc(Br)cs1 ZINC000082589145 178125195 /nfs/dbraw/zinc/12/51/95/178125195.db2.gz GPIRNXVZDQUKEW-UHFFFAOYSA-N 1 0 274.208 3.698 10 0 CHAERO Clc1ccsc1CN1CC[NH2+]CC12CCCCC2 ZINC000310610377 260221980 /nfs/dbraw/zinc/22/19/80/260221980.db2.gz AMPGYFWZGFNITC-UHFFFAOYSA-N 1 0 284.856 3.510 10 0 CHAERO CC(C)C[NH2+]C[C@@H](Oc1ccc(Cl)cc1)C(C)C ZINC000104002086 185879379 /nfs/dbraw/zinc/87/93/79/185879379.db2.gz BZPQEIUHOQYFJR-OAHLLOKOSA-N 1 0 269.816 3.989 10 0 CHAERO CCCC[C@H](CC)C[NH2+][C@@]1(CO)CCC[C@H](C)C1 ZINC000104008658 185881485 /nfs/dbraw/zinc/88/14/85/185881485.db2.gz KRMKYZVAXKNVMI-JYJNAYRXSA-N 1 0 255.446 3.734 10 0 CHAERO CCCC1CCN(CC[NH2+][C@@H](C)CCC(C)C)CC1 ZINC000104016247 185883172 /nfs/dbraw/zinc/88/31/72/185883172.db2.gz HUDRPQUXQFZLBZ-INIZCTEOSA-N 1 0 268.489 3.913 10 0 CHAERO Cc1cccc(N(C)CC(C)(C)C[NH2+]CC(C)C)c1 ZINC000103997419 185878326 /nfs/dbraw/zinc/87/83/26/185878326.db2.gz FMMPPBUCFIJHLV-UHFFFAOYSA-N 1 0 262.441 3.703 10 0 CHAERO CC(C)CCN(C)c1ccccc1C[NH2+]CC(C)C ZINC000104155904 185913431 /nfs/dbraw/zinc/91/34/31/185913431.db2.gz HZHOUKSSEAJTRA-UHFFFAOYSA-N 1 0 262.441 3.915 10 0 CHAERO CCC[C@@]1(CN(CC)c2ccccc2)CCC[NH2+]C1 ZINC000104174831 185917069 /nfs/dbraw/zinc/91/70/69/185917069.db2.gz AULGGNYGQCOLKX-QGZVFWFLSA-N 1 0 260.425 3.683 10 0 CHAERO [NH3+][C@@H](Cc1csc2ccccc12)c1ccncc1 ZINC000104212848 185932962 /nfs/dbraw/zinc/93/29/62/185932962.db2.gz VHGMHXHISKTUPI-AWEZNQCLSA-N 1 0 254.358 3.539 10 0 CHAERO CC[C@@H](C)[C@@H](Cc1cc(Cl)ccc1OC)[NH2+]C ZINC000104227345 185936469 /nfs/dbraw/zinc/93/64/69/185936469.db2.gz OTAVHZVAZCIKAG-ZWNOBZJWSA-N 1 0 255.789 3.525 10 0 CHAERO COc1ccc(Sc2ccc(CC[NH3+])cc2C)cc1 ZINC000104295045 185957565 /nfs/dbraw/zinc/95/75/65/185957565.db2.gz VUCRSUGTIBUOSQ-UHFFFAOYSA-N 1 0 273.401 3.656 10 0 CHAERO C[C@H]1C[C@H]1CN(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000104422132 185996126 /nfs/dbraw/zinc/99/61/26/185996126.db2.gz SPIFSXYZPVHAAP-ZFWWWQNUSA-N 1 0 260.425 3.667 10 0 CHAERO CC(C)C[NH2+]Cc1ccccc1N(C)C[C@@H]1C[C@@H]1C ZINC000104423724 185996960 /nfs/dbraw/zinc/99/69/60/185996960.db2.gz AGDLQOMIVHHVPQ-HOCLYGCPSA-N 1 0 260.425 3.524 10 0 CHAERO CC1(Cn2c(N)[nH+]c3cc(Cl)ccc32)CCCC1 ZINC000104433587 186000848 /nfs/dbraw/zinc/00/08/48/186000848.db2.gz KEHCXRLNQZZNSP-UHFFFAOYSA-N 1 0 263.772 3.852 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1OC)C[C@@H](C)C(C)(C)C ZINC000104435607 186001640 /nfs/dbraw/zinc/00/16/40/186001640.db2.gz AOOQSOJCCXPRBN-HIFRSBDPSA-N 1 0 263.425 3.898 10 0 CHAERO COCCCSc1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000104439428 186002409 /nfs/dbraw/zinc/00/24/09/186002409.db2.gz DQKURCZLBWWRFI-UHFFFAOYSA-N 1 0 285.428 3.842 10 0 CHAERO [NH3+]CCc1cc(F)c(SCC2CCCC2)c(F)c1 ZINC000104445818 186004628 /nfs/dbraw/zinc/00/46/28/186004628.db2.gz BFKFNGKCCWFIEZ-UHFFFAOYSA-N 1 0 271.376 3.748 10 0 CHAERO CC(C)(C)[NH2+]C[C@@H]1CCCCN1CCc1cccs1 ZINC000104449659 186006224 /nfs/dbraw/zinc/00/62/24/186006224.db2.gz WOMZNBNAFBGWJJ-AWEZNQCLSA-N 1 0 280.481 3.533 10 0 CHAERO C#[N+]c1ccc(Br)c(OC(F)(F)F)c1 ZINC000104899204 186030482 /nfs/dbraw/zinc/03/04/82/186030482.db2.gz GVYKQBUKFBAEIP-UHFFFAOYSA-N 1 0 266.016 3.898 10 0 CHAERO CCCCC1CCC(CC)(C[NH2+]CCOC)CC1 ZINC000110199489 186287751 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ZINC000083536443 135027831 /nfs/dbraw/zinc/02/78/31/135027831.db2.gz USYVCXKTBVKIBX-ZJUUUORDSA-N 1 0 273.207 3.570 10 0 CHAERO CC(C)[C@@H]1CN(c2ccc(C(C)(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000083541837 135028181 /nfs/dbraw/zinc/02/81/81/135028181.db2.gz QNAIXGYWPQYJCO-PBHICJAKSA-N 1 0 274.452 3.807 10 0 CHAERO Cc1cccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1C ZINC000083542112 135028617 /nfs/dbraw/zinc/02/86/17/135028617.db2.gz CQWHPLFOOBEOQF-SJLPKXTDSA-N 1 0 274.452 3.762 10 0 CHAERO CC[C@@H]1CN(c2ccc(SC)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083587506 135030837 /nfs/dbraw/zinc/03/08/37/135030837.db2.gz KQWNAVIDUOPGIR-CJNGLKHVSA-N 1 0 278.465 3.621 10 0 CHAERO C[C@H]([NH3+])c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000003705496 169908602 /nfs/dbraw/zinc/90/86/02/169908602.db2.gz HONUUIYHHUBQCY-NSHDSACASA-N 1 0 261.752 3.939 10 0 CHAERO CCC[NH+](CCC)[C@H]1CCc2c(O)cccc2[C@H]1C ZINC000005833092 170144756 /nfs/dbraw/zinc/14/47/56/170144756.db2.gz ORYMAZZENFCTAE-CJNGLKHVSA-N 1 0 261.409 3.933 10 0 CHAERO Nc1c2ccccc2[nH+]c2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000006062009 170173257 /nfs/dbraw/zinc/17/32/57/170173257.db2.gz ZCIUNCZMMFWZAQ-ZDUSSCGKSA-N 1 0 288.350 3.730 10 0 CHAERO O[C@]1(c2ccc(C(F)(F)F)cc2)CC[N@@H+]2CCCC[C@@H]2C1 ZINC000006093306 170175876 /nfs/dbraw/zinc/17/58/76/170175876.db2.gz SEWOUMHWEWDIHT-HUUCEWRRSA-N 1 0 299.336 3.541 10 0 CHAERO CCc1c(C)sc2c1CC[NH2+][C@H]2c1ccccc1 ZINC000009115974 170364346 /nfs/dbraw/zinc/36/43/46/170364346.db2.gz LBHBJXVJHKFANC-HNNXBMFYSA-N 1 0 257.402 3.854 10 0 CHAERO CCc1ccc([C@H]([NH3+])Cc2cccc(OC)c2)cc1 ZINC000011603396 170426268 /nfs/dbraw/zinc/42/62/68/170426268.db2.gz CTTHBGIHUVZUJW-QGZVFWFLSA-N 1 0 255.361 3.500 10 0 CHAERO COc1ccccc1C[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000011603259 170426381 /nfs/dbraw/zinc/42/63/81/170426381.db2.gz IALLHXWQNMXJNB-CQSZACIVSA-N 1 0 261.752 3.591 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](n2nc(C)cc2C)C1 ZINC000019258184 170760328 /nfs/dbraw/zinc/76/03/28/170760328.db2.gz RGIQBSVSSDYJLU-ILXRZTDVSA-N 1 0 263.429 3.605 10 0 CHAERO CC(C)CCOC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000019263842 170763538 /nfs/dbraw/zinc/76/35/38/170763538.db2.gz ZKCYGTNNWFYIPA-QGZVFWFLSA-N 1 0 257.377 3.902 10 0 CHAERO C[C@H]([NH3+])c1cccc(OCCCc2ccccc2)c1 ZINC000019276583 170769886 /nfs/dbraw/zinc/76/98/86/170769886.db2.gz DLTUPXVNVOKGPH-AWEZNQCLSA-N 1 0 255.361 3.718 10 0 CHAERO NC(=[NH2+])CCN(Cc1ccc(Cl)s1)c1ccccc1 ZINC000019436061 170799961 /nfs/dbraw/zinc/79/99/61/170799961.db2.gz KDMPULSTWFGALJ-UHFFFAOYSA-N 1 0 293.823 3.734 10 0 CHAERO CC(C)(C)C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019474190 170806378 /nfs/dbraw/zinc/80/63/78/170806378.db2.gz PBIXRTOMJWULAA-LLVKDONJSA-N 1 0 256.187 3.885 10 0 CHAERO FC(F)(F)c1ccccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000019726647 170845521 /nfs/dbraw/zinc/84/55/21/170845521.db2.gz XNOJWVBWUWWQKQ-OAHLLOKOSA-N 1 0 277.289 3.941 10 0 CHAERO CC(C)C[C@H]([NH3+])c1nc2ccccc2n1CC(C)C ZINC000019734959 170848864 /nfs/dbraw/zinc/84/88/64/170848864.db2.gz JFASJLLPPOUOPE-ZDUSSCGKSA-N 1 0 259.397 3.738 10 0 CHAERO CCOc1ccccc1Oc1ccc(C[NH2+]C)cc1 ZINC000019777516 170861198 /nfs/dbraw/zinc/86/11/98/170861198.db2.gz DUELJZPEAWFTLY-UHFFFAOYSA-N 1 0 257.333 3.597 10 0 CHAERO CC(C)(C)c1ccc(C(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000019779684 170861624 /nfs/dbraw/zinc/86/16/24/170861624.db2.gz XUUJCQBWPNKVHF-UHFFFAOYSA-N 1 0 267.372 3.674 10 0 CHAERO CC[C@@H](c1ccccc1)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000019804162 170873399 /nfs/dbraw/zinc/87/33/99/170873399.db2.gz FIJJCRQRQIOTQW-DLBZAZTESA-N 1 0 255.361 3.889 10 0 CHAERO CCC(C)(C)c1ccc(Oc2ccc(C(N)=[NH2+])cn2)cc1 ZINC000019808569 170877191 /nfs/dbraw/zinc/87/71/91/170877191.db2.gz LZABRMBQNVCJGD-UHFFFAOYSA-N 1 0 283.375 3.846 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C(N)=[NH2+])cc1 ZINC000019808733 170877933 /nfs/dbraw/zinc/87/79/33/170877933.db2.gz VGFXEQDJNOKYJP-XYPHTWIQSA-N 1 0 288.435 3.948 10 0 CHAERO CC(C)C[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000019883073 170908644 /nfs/dbraw/zinc/90/86/44/170908644.db2.gz NWBZPJKZYAKXKB-QGZVFWFLSA-N 1 0 255.361 3.727 10 0 CHAERO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000019945602 170936253 /nfs/dbraw/zinc/93/62/53/170936253.db2.gz XLIDDXNREVDSFV-ZQIUZPCESA-N 1 0 261.409 3.882 10 0 CHAERO CC(C)(c1ccccc1)[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000019971110 170954662 /nfs/dbraw/zinc/95/46/62/170954662.db2.gz KRLUIUYPRUDIGE-QGZVFWFLSA-N 1 0 267.372 3.599 10 0 CHAERO CCOc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000019993522 170963512 /nfs/dbraw/zinc/96/35/12/170963512.db2.gz GFZNVDMWFWHJGZ-OAHLLOKOSA-N 1 0 269.388 3.979 10 0 CHAERO [NH3+][C@@H](CCN1CCCc2ccccc21)c1ccccc1 ZINC000020073728 170983901 /nfs/dbraw/zinc/98/39/01/170983901.db2.gz WVKZVXRBYJVARC-KRWDZBQOSA-N 1 0 266.388 3.529 10 0 CHAERO C[C@@H]([NH2+][C@H]1COc2cc(O)ccc21)c1cccc(Cl)c1 ZINC000020124288 171006421 /nfs/dbraw/zinc/00/64/21/171006421.db2.gz KOHAPTCPSGHGME-BMIGLBTASA-N 1 0 289.762 3.830 10 0 CHAERO CC[C@H]([NH2+]Cc1cccc(C)c1)c1ccc(O)cc1 ZINC000020134126 171021648 /nfs/dbraw/zinc/02/16/48/171021648.db2.gz VRAYOHURGVHTCX-KRWDZBQOSA-N 1 0 255.361 3.942 10 0 CHAERO Cc1cccc(C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000020135946 171023366 /nfs/dbraw/zinc/02/33/66/171023366.db2.gz KWPBWTNUVGMICZ-UHFFFAOYSA-N 1 0 268.385 3.895 10 0 CHAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCOc2ccccc21 ZINC000020145083 171030172 /nfs/dbraw/zinc/03/01/72/171030172.db2.gz NJRUIXCJQCDXGL-CJNGLKHVSA-N 1 0 271.360 3.714 10 0 CHAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccs1 ZINC000020148527 171036876 /nfs/dbraw/zinc/03/68/76/171036876.db2.gz XRNQOIVNCRRYBN-AAEUAGOBSA-N 1 0 259.374 3.923 10 0 CHAERO C=COCCC[NH2+][C@H](C)c1ccccc1Br ZINC000020197296 171061155 /nfs/dbraw/zinc/06/11/55/171061155.db2.gz WLBLMPVCTFQKPG-LLVKDONJSA-N 1 0 284.197 3.650 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(O)cc1 ZINC000020204191 171069028 /nfs/dbraw/zinc/06/90/28/171069028.db2.gz UUMMYSRMBLEPPA-IAQYHMDHSA-N 1 0 257.333 3.713 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc(O)cc1 ZINC000020204197 171069262 /nfs/dbraw/zinc/06/92/62/171069262.db2.gz UUMMYSRMBLEPPA-NHYWBVRUSA-N 1 0 257.333 3.713 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000020206765 171071336 /nfs/dbraw/zinc/07/13/36/171071336.db2.gz QODXJDMWWUXMEG-GLQYFDAESA-N 1 0 267.800 3.948 10 0 CHAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccccc2Cl)cc1 ZINC000020225553 171088326 /nfs/dbraw/zinc/08/83/26/171088326.db2.gz PWVYJVWVPGQVMC-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO CN(CC1CCCCC1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000020225934 171089920 /nfs/dbraw/zinc/08/99/20/171089920.db2.gz NMXLDBQBXIXWCS-INIZCTEOSA-N 1 0 280.843 3.852 10 0 CHAERO CC(C)C[N@H+](C)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226325 171092009 /nfs/dbraw/zinc/09/20/09/171092009.db2.gz PGMPRZMFTGQTEJ-MRXNPFEDSA-N 1 0 262.441 3.572 10 0 CHAERO [NH3+]CCCN(Cc1ccccc1)c1ccccc1Cl ZINC000020237328 171096042 /nfs/dbraw/zinc/09/60/42/171096042.db2.gz BEQUESLICJCYIK-UHFFFAOYSA-N 1 0 274.795 3.695 10 0 CHAERO CCC[C@H](C)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000020252070 171104085 /nfs/dbraw/zinc/10/40/85/171104085.db2.gz RRWKPWNSDLYYEA-CABZTGNLSA-N 1 0 256.187 3.885 10 0 CHAERO CC[C@@H](Oc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000020262608 171120600 /nfs/dbraw/zinc/12/06/00/171120600.db2.gz AZLYHJHNHQPQAE-HZPDHXFCSA-N 1 0 259.324 3.683 10 0 CHAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1cccc2cccnc21 ZINC000020296814 171136846 /nfs/dbraw/zinc/13/68/46/171136846.db2.gz DYYAZVDJKSUBSA-ZIAGYGMSSA-N 1 0 258.365 3.520 10 0 CHAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000020362163 171161124 /nfs/dbraw/zinc/16/11/24/171161124.db2.gz LLQVGLIZRGERFD-SNVBAGLBSA-N 1 0 261.287 3.719 10 0 CHAERO C[C@@H]1CCCC[N@@H+]1CCCNc1c(N)cccc1Cl ZINC000020382945 171173442 /nfs/dbraw/zinc/17/34/42/171173442.db2.gz OQKWGIVHJORSRQ-GFCCVEGCSA-N 1 0 281.831 3.599 10 0 CHAERO [NH3+][C@H](Cc1ccccn1)c1cc(Cl)cc(Cl)c1 ZINC000020428988 171194251 /nfs/dbraw/zinc/19/42/51/171194251.db2.gz ZYXWRYVCZNUBCL-CYBMUJFWSA-N 1 0 267.159 3.631 10 0 CHAERO Cc1cc([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)c(C)o1 ZINC000020438934 171202747 /nfs/dbraw/zinc/20/27/47/171202747.db2.gz HZKCXSHVORZRFB-RDTXWAMCSA-N 1 0 286.419 3.850 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000020470232 171212116 /nfs/dbraw/zinc/21/21/16/171212116.db2.gz RIJCNHBIUFWEGI-UHFFFAOYSA-N 1 0 296.139 3.839 10 0 CHAERO CCCC[NH+](CCCC)C1(CN)CCCCCC1 ZINC000020484917 171224461 /nfs/dbraw/zinc/22/44/61/171224461.db2.gz GCVUJRDTYPNOOH-UHFFFAOYSA-N 1 0 254.462 3.940 10 0 CHAERO CCN(Cc1ccccc1)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000020486592 171226258 /nfs/dbraw/zinc/22/62/58/171226258.db2.gz ZUTGUHPDZVEQAM-CYBMUJFWSA-N 1 0 272.367 3.872 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1O[C@@H]1CCC[C@@H](C)C1 ZINC000020517087 171232683 /nfs/dbraw/zinc/23/26/83/171232683.db2.gz OBZFOIXHHPYZHD-IJLUTSLNSA-N 1 0 251.345 3.803 10 0 CHAERO CCCCCC[C@](C)(CN)[NH+]1CCCCCCC1 ZINC000020520460 171233836 /nfs/dbraw/zinc/23/38/36/171233836.db2.gz BSBJUMSBIFXEIG-MRXNPFEDSA-N 1 0 254.462 3.940 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2F)cc1Cl ZINC000020521836 171234943 /nfs/dbraw/zinc/23/49/43/171234943.db2.gz SCIYSPDWNDBGEY-CQSZACIVSA-N 1 0 283.705 3.675 10 0 CHAERO CCCC[N@H+](CC)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000020545038 171242867 /nfs/dbraw/zinc/24/28/67/171242867.db2.gz AJPSNXOKNIWIHN-KRWDZBQOSA-N 1 0 262.441 3.932 10 0 CHAERO CC(C)[C@H](Oc1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000020547792 171244762 /nfs/dbraw/zinc/24/47/62/171244762.db2.gz WHKAURLHIPDHES-IRXDYDNUSA-N 1 0 273.351 3.929 10 0 CHAERO C[C@@H]1CCC[N@@H+](C2(CN)CCC(c3ccccc3)CC2)C1 ZINC000020547861 171244977 /nfs/dbraw/zinc/24/49/77/171244977.db2.gz XVCSDVUNULJHKM-IPJUCJBFSA-N 1 0 286.463 3.774 10 0 CHAERO CCCC[N@H+](CC)C[C@H](N)c1ccc(CCC)cc1 ZINC000020547437 171245079 /nfs/dbraw/zinc/24/50/79/171245079.db2.gz OZUOLWYRMMRIJF-KRWDZBQOSA-N 1 0 262.441 3.761 10 0 CHAERO Cc1ccc(CN(C)c2ccc(F)cc2[C@@H](C)[NH3+])cc1 ZINC000020549159 171246324 /nfs/dbraw/zinc/24/63/24/171246324.db2.gz WUTYUEJMQFEFGQ-CYBMUJFWSA-N 1 0 272.367 3.790 10 0 CHAERO CCc1ccc([C@@H]([NH3+])COc2ccccc2C)cc1 ZINC000020563164 171252747 /nfs/dbraw/zinc/25/27/47/171252747.db2.gz JWENVMNTOFBCNL-INIZCTEOSA-N 1 0 255.361 3.636 10 0 CHAERO [NH3+][C@@H]1CCCCC[C@H]1Oc1ccc2ccccc2c1 ZINC000020564919 171253712 /nfs/dbraw/zinc/25/37/12/171253712.db2.gz OADRDKLOSGOIQV-IAGOWNOFSA-N 1 0 255.361 3.879 10 0 CHAERO CC(C)c1ccc(O[C@@H]2COc3ccccc3[C@@H]2[NH3+])cc1 ZINC000020566880 171254784 /nfs/dbraw/zinc/25/47/84/171254784.db2.gz KCIWEMHBWKHWOO-MSOLQXFVSA-N 1 0 283.371 3.650 10 0 CHAERO COc1ccc(Br)cc1[C@H]([NH3+])c1ccccc1 ZINC000020586762 171259549 /nfs/dbraw/zinc/25/95/49/171259549.db2.gz BCNFIDVXWOVGOK-CQSZACIVSA-N 1 0 292.176 3.506 10 0 CHAERO Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020596018 171264294 /nfs/dbraw/zinc/26/42/94/171264294.db2.gz IRWCHYVCOBVZJA-MRXNPFEDSA-N 1 0 284.378 3.821 10 0 CHAERO Cc1ccc(C)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595938 171264570 /nfs/dbraw/zinc/26/45/70/171264570.db2.gz QKIZUUWOCPRWQT-SFHVURJKSA-N 1 0 280.415 3.990 10 0 CHAERO Cc1ccc(COc2ccccc2C[NH2+]C2CC2)cc1 ZINC000020873667 171277501 /nfs/dbraw/zinc/27/75/01/171277501.db2.gz XWJMXHZGLJCCAA-UHFFFAOYSA-N 1 0 267.372 3.826 10 0 CHAERO CCCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000020924565 171279671 /nfs/dbraw/zinc/27/96/71/171279671.db2.gz CTHOSGDFKQSXDM-UHFFFAOYSA-N 1 0 285.387 3.774 10 0 CHAERO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928403 171280506 /nfs/dbraw/zinc/28/05/06/171280506.db2.gz FTRYGFZDUBDSHR-QMMMGPOBSA-N 1 0 262.180 3.890 10 0 CHAERO CCn1cc(C[NH2+]Cc2ccco2)c2ccccc21 ZINC000020935212 171281589 /nfs/dbraw/zinc/28/15/89/171281589.db2.gz JQZJLJCMCHLUNJ-UHFFFAOYSA-N 1 0 254.333 3.544 10 0 CHAERO [NH3+][C@@H]1c2ccccc2CCC[C@H]1Oc1cccc(F)c1 ZINC000021008806 171285486 /nfs/dbraw/zinc/28/54/86/171285486.db2.gz BWTCVCSSOVLPCE-IAGOWNOFSA-N 1 0 271.335 3.609 10 0 CHAERO Cc1nc2ccccc2n1CC[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000021010091 171286410 /nfs/dbraw/zinc/28/64/10/171286410.db2.gz JCSNMVDECLJKNI-UUVAVEHKSA-N 1 0 285.435 3.759 10 0 CHAERO [NH3+][C@H](Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000021011913 171287728 /nfs/dbraw/zinc/28/77/28/171287728.db2.gz CZHIKJXVAQWERM-GOSISDBHSA-N 1 0 251.373 3.808 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](N)c2ccc3ccccc3c2)C1 ZINC000021012541 171288201 /nfs/dbraw/zinc/28/82/01/171288201.db2.gz XJEDPFSJGLOWHH-SPYBWZPUSA-N 1 0 282.431 3.818 10 0 CHAERO CCOc1ccccc1[C@@H]([NH3+])COc1ccc(CC)cc1 ZINC000021014010 171289020 /nfs/dbraw/zinc/28/90/20/171289020.db2.gz GQWNBALXBGFECW-KRWDZBQOSA-N 1 0 285.387 3.727 10 0 CHAERO CCOCCC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000021027270 171291213 /nfs/dbraw/zinc/29/12/13/171291213.db2.gz CQGYHXJBBIGWQI-OAHLLOKOSA-N 1 0 263.425 3.962 10 0 CHAERO CCCc1ccc([C@@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000021027302 171291301 /nfs/dbraw/zinc/29/13/01/171291301.db2.gz BAKFSGPULGKDPP-MPGHIAIKSA-N 1 0 274.452 3.902 10 0 CHAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCOCC1CC1 ZINC000021045081 171294253 /nfs/dbraw/zinc/29/42/53/171294253.db2.gz PEHFPGGUEXOGIE-XIRDDKMYSA-N 1 0 267.457 3.854 10 0 CHAERO CN(C)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000021054078 171295504 /nfs/dbraw/zinc/29/55/04/171295504.db2.gz LMQKXFYGYYONQT-ZIAGYGMSSA-N 1 0 254.462 3.521 10 0 CHAERO CCCOc1ccccc1O[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000021501386 171305424 /nfs/dbraw/zinc/30/54/24/171305424.db2.gz XAQZHPOWUAMYME-JKIFEVAISA-N 1 0 277.408 3.760 10 0 CHAERO CCN(CC)CC[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000021501556 171305490 /nfs/dbraw/zinc/30/54/90/171305490.db2.gz WIAUQVQHMYEZPW-UHFFFAOYSA-N 1 0 268.489 3.913 10 0 CHAERO CCCOc1ccccc1O[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000021501383 171305550 /nfs/dbraw/zinc/30/55/50/171305550.db2.gz XAQZHPOWUAMYME-GRDNDAEWSA-N 1 0 277.408 3.760 10 0 CHAERO CN(C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000021502286 171305871 /nfs/dbraw/zinc/30/58/71/171305871.db2.gz QOJUIJWPAIZBRB-ZJIILYSQSA-N 1 0 284.447 3.667 10 0 CHAERO CC[NH+](CC)CCNc1ccc(Cl)c(Cl)c1 ZINC000021505227 171307630 /nfs/dbraw/zinc/30/76/30/171307630.db2.gz NBDLTCSUINNOMN-UHFFFAOYSA-N 1 0 261.196 3.747 10 0 CHAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H]1CCCC[NH2+]1 ZINC000021507276 171308403 /nfs/dbraw/zinc/30/84/03/171308403.db2.gz IPBUIVCNBXWVAD-JONQDZQNSA-N 1 0 253.430 3.606 10 0 CHAERO CC[C@@H](C)C[C@@](CC)(CN)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508354 171308644 /nfs/dbraw/zinc/30/86/44/171308644.db2.gz SEERTIVLJNUNCR-WCVJEAGWSA-N 1 0 254.462 3.508 10 0 CHAERO C[N@H+](C[C@@H](N)C12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000021510078 171309851 /nfs/dbraw/zinc/30/98/51/171309851.db2.gz YJZLRECMIRWTRB-CHNSHAQVSA-N 1 0 290.495 3.795 10 0 CHAERO CN(C[C@@H]([NH3+])c1ccc2ccccc2c1)c1ccccc1 ZINC000021510044 171309880 /nfs/dbraw/zinc/30/98/80/171309880.db2.gz HVPVYMLECYXJCY-LJQANCHMSA-N 1 0 276.383 3.976 10 0 CHAERO Cc1cc(C)c([C@@H](C[NH3+])N(C)c2ccccc2)c(C)c1 ZINC000021511016 171310188 /nfs/dbraw/zinc/31/01/88/171310188.db2.gz QXPDFHOCLWKCEL-QGZVFWFLSA-N 1 0 268.404 3.748 10 0 CHAERO CC[C@@H](Oc1cccc(C)c1)[C@H]([NH3+])c1ccccc1 ZINC000021518657 171315032 /nfs/dbraw/zinc/31/50/32/171315032.db2.gz NFTGADABOBMIAZ-IAGOWNOFSA-N 1 0 255.361 3.852 10 0 CHAERO CCN(CC)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021788227 171323042 /nfs/dbraw/zinc/32/30/42/171323042.db2.gz NREJDJGTVXURCE-OAHLLOKOSA-N 1 0 276.468 3.977 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+](C[C@@H](N)C23CC4CC(CC(C4)C2)C3)C1 ZINC000021789955 171323580 /nfs/dbraw/zinc/32/35/80/171323580.db2.gz DCKJSZFBAUSGMP-FCUZTIEGSA-N 1 0 290.495 3.508 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@H](N)[C@@H]([NH+]2CCCCCCC2)C1 ZINC000021800611 171325780 /nfs/dbraw/zinc/32/57/80/171325780.db2.gz KIGYXHLLLJAMKE-PMPSAXMXSA-N 1 0 266.473 3.795 10 0 CHAERO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000021806143 171327501 /nfs/dbraw/zinc/32/75/01/171327501.db2.gz QUWXCDMPXJJFPZ-ZOBUZTSGSA-N 1 0 274.452 3.704 10 0 CHAERO Cc1ccc(OC[C@H]([NH3+])c2ccc(C)c(C)c2)cc1 ZINC000021814393 171331531 /nfs/dbraw/zinc/33/15/31/171331531.db2.gz VBGFLMCBIKLIHH-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CCc1ccc([C@@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021814530 171331549 /nfs/dbraw/zinc/33/15/49/171331549.db2.gz ULABOQNCGYBRSH-RRQGHBQHSA-N 1 0 261.409 3.844 10 0 CHAERO COc1cc(C)ccc1O[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021814419 171331667 /nfs/dbraw/zinc/33/16/67/171331667.db2.gz USNXXONUTPATSY-DZKIICNBSA-N 1 0 291.435 3.925 10 0 CHAERO CCCc1ccc([C@@H](N)C[NH+](CCC)CCC)cc1 ZINC000021815835 171331872 /nfs/dbraw/zinc/33/18/72/171331872.db2.gz KDIGYEMDFBNIPJ-KRWDZBQOSA-N 1 0 262.441 3.761 10 0 CHAERO CC[C@H](CO)[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000021815953 171332579 /nfs/dbraw/zinc/33/25/79/171332579.db2.gz KMRYHNXDABBREG-SJORKVTESA-N 1 0 261.409 3.669 10 0 CHAERO CC(C)C[C@H]1CN[C@@H](C(C)C)C[N@@H+]1Cc1ccccc1 ZINC000021983108 171344885 /nfs/dbraw/zinc/34/48/85/171344885.db2.gz ORWWEAVWTJMTDI-ZWKOTPCHSA-N 1 0 274.452 3.531 10 0 CHAERO CC[N@H+]([C@H](CN)c1ccc(Cl)cc1)C1CCCCC1 ZINC000022151805 171358884 /nfs/dbraw/zinc/35/88/84/171358884.db2.gz XHNIKJWKUXMRMG-MRXNPFEDSA-N 1 0 280.843 3.994 10 0 CHAERO COc1ccc(O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000022153317 171360271 /nfs/dbraw/zinc/36/02/71/171360271.db2.gz KIQZUWHHZCZJMM-RCBQFDQVSA-N 1 0 277.408 3.616 10 0 CHAERO CC(C)(C)c1ccc(Oc2cc(C[NH3+])ccn2)cc1 ZINC000022168949 171367195 /nfs/dbraw/zinc/36/71/95/171367195.db2.gz PWYPYFQBVGMDRX-UHFFFAOYSA-N 1 0 256.349 3.630 10 0 CHAERO CN(c1ccccc1)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000022211902 171373751 /nfs/dbraw/zinc/37/37/51/171373751.db2.gz YZZDOLAEDBZWEH-AWEZNQCLSA-N 1 0 278.758 3.615 10 0 CHAERO Cc1cc(C)cc(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)c1 ZINC000022212609 171373923 /nfs/dbraw/zinc/37/39/23/171373923.db2.gz IRDUIHWJFYBPSN-CYBMUJFWSA-N 1 0 268.360 3.575 10 0 CHAERO CC(C)(C)c1ccccc1Oc1ccc(C[NH3+])cn1 ZINC000022211611 171374064 /nfs/dbraw/zinc/37/40/64/171374064.db2.gz JPYMXZBLWDCFGR-UHFFFAOYSA-N 1 0 256.349 3.630 10 0 CHAERO CN(c1ccccc1)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000022211904 171374071 /nfs/dbraw/zinc/37/40/71/171374071.db2.gz YZZDOLAEDBZWEH-CQSZACIVSA-N 1 0 278.758 3.615 10 0 CHAERO CC[C@H]([NH3+])[C@H](C)Oc1ccccc1-c1ccccc1 ZINC000022562412 171390979 /nfs/dbraw/zinc/39/09/79/171390979.db2.gz UVXAWMTVHHLFGW-BBRMVZONSA-N 1 0 255.361 3.858 10 0 CHAERO CC(C)[C@@H](Oc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000022565841 171391837 /nfs/dbraw/zinc/39/18/37/171391837.db2.gz XHRJPHQQJCFCDK-DLBZAZTESA-N 1 0 255.361 3.790 10 0 CHAERO [NH3+][C@H]1c2ccccc2CCC[C@@H]1Oc1ccccc1F ZINC000022566155 171392096 /nfs/dbraw/zinc/39/20/96/171392096.db2.gz BCSDTOLODYHELK-IRXDYDNUSA-N 1 0 271.335 3.609 10 0 CHAERO [NH3+][C@H]1c2ccccc2CCC[C@H]1n1cnc2ccccc21 ZINC000022566329 171392698 /nfs/dbraw/zinc/39/26/98/171392698.db2.gz PQJNXJRFBMYEMX-MSOLQXFVSA-N 1 0 277.371 3.614 10 0 CHAERO [NH3+][C@@H](COc1ccccc1C(F)(F)F)c1ccccc1 ZINC000023071460 171410604 /nfs/dbraw/zinc/41/06/04/171410604.db2.gz QWIZJYQOXWXQGL-ZDUSSCGKSA-N 1 0 281.277 3.784 10 0 CHAERO CCc1ccc(O[C@H](CC[NH3+])c2cccs2)cc1 ZINC000032112093 171705010 /nfs/dbraw/zinc/70/50/10/171705010.db2.gz VJYZHRAPXPWMCM-CQSZACIVSA-N 1 0 261.390 3.779 10 0 CHAERO COc1ccccc1-c1ccc(SCCC[NH3+])cc1 ZINC000032120713 171711894 /nfs/dbraw/zinc/71/18/94/171711894.db2.gz IQLONDGBWMYPHE-UHFFFAOYSA-N 1 0 273.401 3.803 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1Oc1ccc(OC)cc1 ZINC000034666148 171854219 /nfs/dbraw/zinc/85/42/19/171854219.db2.gz JZSVMGKXWDJODQ-GFCCVEGCSA-N 1 0 257.333 3.768 10 0 CHAERO CCCCCOc1ccc(C[NH2+]C(C)C)cc1OC ZINC000034817048 171869976 /nfs/dbraw/zinc/86/99/76/171869976.db2.gz ZQCSTKOGHVGBHL-UHFFFAOYSA-N 1 0 265.397 3.762 10 0 CHAERO C[NH2+][C@H](C)c1cccc(OCc2cccc(F)c2)c1 ZINC000034821865 171875208 /nfs/dbraw/zinc/87/52/08/171875208.db2.gz UQMYVUURUWNBOJ-GFCCVEGCSA-N 1 0 259.324 3.685 10 0 CHAERO O[C@@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000034995651 171924546 /nfs/dbraw/zinc/92/45/46/171924546.db2.gz IHOBQJBATWZIBF-HPBDAGMYSA-N 1 0 273.420 3.669 10 0 CHAERO C[N@H+](C1CCCCC1)[C@](C)(CN)CCc1ccccc1 ZINC000035176657 172028990 /nfs/dbraw/zinc/02/89/90/172028990.db2.gz OCRGNVCLJMLELG-SFHVURJKSA-N 1 0 274.452 3.601 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000035189082 172043929 /nfs/dbraw/zinc/04/39/29/172043929.db2.gz JVRGDUJSUVCVFB-INIZCTEOSA-N 1 0 257.402 3.936 10 0 CHAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000035258186 172089407 /nfs/dbraw/zinc/08/94/07/172089407.db2.gz IVXJEQVAUZSZKN-GHMZBOCLSA-N 1 0 263.328 3.959 10 0 CHAERO [NH3+][C@@H](c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035379554 172162060 /nfs/dbraw/zinc/16/20/60/172162060.db2.gz AMKPMNBMWLOGJG-CQSZACIVSA-N 1 0 263.793 3.938 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])c2cc3c(s2)CCC3)cc1 ZINC000035379781 172162282 /nfs/dbraw/zinc/16/22/82/172162282.db2.gz UZLQXHZKSCZMMY-MRXNPFEDSA-N 1 0 273.401 3.684 10 0 CHAERO CCc1ccc([C@@H]([NH3+])c2cc3c(s2)CCC3)s1 ZINC000035380836 172163893 /nfs/dbraw/zinc/16/38/93/172163893.db2.gz GLMFQVPQBMZEHA-CQSZACIVSA-N 1 0 263.431 3.909 10 0 CHAERO COc1ccc(Br)cc1[C@H]([NH3+])c1ccsc1 ZINC000035381691 172164443 /nfs/dbraw/zinc/16/44/43/172164443.db2.gz RSIWTXYBVNZVLV-GFCCVEGCSA-N 1 0 298.205 3.567 10 0 CHAERO CC[NH2+]Cc1cccc(OC)c1OC1CCCCC1 ZINC000035413690 172186619 /nfs/dbraw/zinc/18/66/19/172186619.db2.gz MFVVDQNZLGQTNN-UHFFFAOYSA-N 1 0 263.381 3.516 10 0 CHAERO CCCCCOc1cc(OCCC)ccc1C[NH3+] ZINC000035413870 172186758 /nfs/dbraw/zinc/18/67/58/172186758.db2.gz PZROAZZNBUGIPW-UHFFFAOYSA-N 1 0 251.370 3.503 10 0 CHAERO C[NH2+][C@@H](c1ccsc1)c1ccc2c(c1)CCCC2 ZINC000035459957 172208890 /nfs/dbraw/zinc/20/88/90/172208890.db2.gz WBVUKSVQUDQBDI-MRXNPFEDSA-N 1 0 257.402 3.936 10 0 CHAERO C[NH2+][C@H](c1ccc(Br)cc1)c1cccc(F)c1 ZINC000035462825 172211149 /nfs/dbraw/zinc/21/11/49/172211149.db2.gz ZVUJFRNSUWBAON-CQSZACIVSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000035464456 172212120 /nfs/dbraw/zinc/21/21/20/172212120.db2.gz VCGVFNLIURYENK-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000035464527 172212149 /nfs/dbraw/zinc/21/21/49/172212149.db2.gz FNOMVWRJRIXSFB-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@@H](c1cc2c(s1)CCC2)c1ccc(OC)cc1 ZINC000035465519 172213288 /nfs/dbraw/zinc/21/32/88/172213288.db2.gz ARLLZJUFNAZOLF-MRXNPFEDSA-N 1 0 273.401 3.554 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(C)c(OC)c1 ZINC000035466207 172213564 /nfs/dbraw/zinc/21/35/64/172213564.db2.gz BDZYSWKDOHBYHG-KRWDZBQOSA-N 1 0 255.361 3.621 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC)cc1C ZINC000035468326 172217723 /nfs/dbraw/zinc/21/77/23/172217723.db2.gz TUKBFCJWTFKACX-OAHLLOKOSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@@H](CCc1ccc(OC)cc1)c1cccs1 ZINC000035488056 172222774 /nfs/dbraw/zinc/22/27/74/172222774.db2.gz UAMALLCVTYRHIQ-AWEZNQCLSA-N 1 0 261.390 3.650 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1cc2c(s1)CCCC2 ZINC000035487799 172223156 /nfs/dbraw/zinc/22/31/56/172223156.db2.gz TZUOFNURSMIGDR-AWEZNQCLSA-N 1 0 263.431 3.997 10 0 CHAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000035494225 172227628 /nfs/dbraw/zinc/22/76/28/172227628.db2.gz DDEUZTLRRDCFLL-MRXNPFEDSA-N 1 0 261.315 3.776 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(OC)cc1 ZINC000035498406 172232087 /nfs/dbraw/zinc/23/20/87/172232087.db2.gz CUCIJDHMQDLNCZ-ZDUSSCGKSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@@H](c1cc(F)ccc1OC)C1CCCCC1 ZINC000035499245 172233383 /nfs/dbraw/zinc/23/33/83/172233383.db2.gz RKYVUBZJMDRCON-OAHLLOKOSA-N 1 0 251.345 3.675 10 0 CHAERO C[NH2+][C@H](C)c1cc(Br)sc1Br ZINC000035502633 172237192 /nfs/dbraw/zinc/23/71/92/172237192.db2.gz PGNAKCHKUHMFJB-SCSAIBSYSA-N 1 0 299.031 3.554 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc(OC)c(F)c1 ZINC000035507450 172240258 /nfs/dbraw/zinc/24/02/58/172240258.db2.gz CUEGQHIUAIVLNT-ZDUSSCGKSA-N 1 0 265.353 3.513 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(F)c1)C1CCCCC1 ZINC000035507875 172240518 /nfs/dbraw/zinc/24/05/18/172240518.db2.gz VTABBNMQDDIRBA-HNNXBMFYSA-N 1 0 251.345 3.675 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(Br)c1)C1CCC1 ZINC000035508646 172241111 /nfs/dbraw/zinc/24/11/11/172241111.db2.gz ABIOVOOSYWGOAV-AWEZNQCLSA-N 1 0 298.224 3.908 10 0 CHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(OC)c(Cl)c1 ZINC000035538302 172244802 /nfs/dbraw/zinc/24/48/02/172244802.db2.gz GEBUTWVFRFHHTB-HNNXBMFYSA-N 1 0 279.767 3.949 10 0 CHAERO CC[NH2+][C@H](CC(C)(C)C)c1cc(OC)ccc1OC ZINC000035541456 172248445 /nfs/dbraw/zinc/24/84/45/172248445.db2.gz MQBPIMRNDBLWRF-CQSZACIVSA-N 1 0 265.397 3.791 10 0 CHAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCCO2)[C@H](C)CC ZINC000035541551 172249340 /nfs/dbraw/zinc/24/93/40/172249340.db2.gz MURZZERHXUUYNV-MLGOLLRUSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCCO2)[C@@H](C)CC ZINC000035541552 172249613 /nfs/dbraw/zinc/24/96/13/172249613.db2.gz MURZZERHXUUYNV-BLLLJJGKSA-N 1 0 263.381 3.545 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1OC)c1cccs1 ZINC000035545346 172253811 /nfs/dbraw/zinc/25/38/11/172253811.db2.gz MFPRXFYKTNFLGE-ZDUSSCGKSA-N 1 0 261.390 3.650 10 0 CHAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(F)cc1F ZINC000035547277 172255158 /nfs/dbraw/zinc/25/51/58/172255158.db2.gz PCABAUVUUKTVMF-AWEZNQCLSA-N 1 0 251.276 3.565 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000035551642 172259473 /nfs/dbraw/zinc/25/94/73/172259473.db2.gz LLSIKRUMVZDNOS-ZDUSSCGKSA-N 1 0 257.299 3.778 10 0 CHAERO CC[NH2+][C@@H](c1ccco1)c1ccc(OC(C)C)cc1 ZINC000035553820 172259692 /nfs/dbraw/zinc/25/96/92/172259692.db2.gz CBPJYSCKSRXPFJ-MRXNPFEDSA-N 1 0 259.349 3.766 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(CCOC)cc1)C1CCC1 ZINC000035578900 172275131 /nfs/dbraw/zinc/27/51/31/172275131.db2.gz FIOYIQBSYLQCES-QGZVFWFLSA-N 1 0 261.409 3.716 10 0 CHAERO CCC[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCO2 ZINC000035579119 172275149 /nfs/dbraw/zinc/27/51/49/172275149.db2.gz MMFAPFXZQNITCV-INIZCTEOSA-N 1 0 273.401 3.772 10 0 CHAERO CCC[NH2+][C@H](c1ccoc1C)c1cc(F)ccc1F ZINC000035580063 172275651 /nfs/dbraw/zinc/27/56/51/172275651.db2.gz NBJUAYHUYMPWFF-OAHLLOKOSA-N 1 0 265.303 3.955 10 0 CHAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@H]1C[C@@H]1C ZINC000035580951 172276922 /nfs/dbraw/zinc/27/69/22/172276922.db2.gz UYYHSCWGAXIFFY-BXGCZWRVSA-N 1 0 257.299 3.801 10 0 CHAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(F)c(F)c1 ZINC000035582344 172280171 /nfs/dbraw/zinc/28/01/71/172280171.db2.gz ARMVJKHYQKRFOP-HNNXBMFYSA-N 1 0 265.303 3.955 10 0 CHAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)[C@@H](C)CC ZINC000035583908 172282711 /nfs/dbraw/zinc/28/27/11/172282711.db2.gz IDGJKWWGLQQPHJ-XHDPSFHLSA-N 1 0 253.361 3.921 10 0 CHAERO CCCC[C@H](CC)[C@H](Cc1ncc[nH]1)[NH2+]CCC ZINC000035586398 172285491 /nfs/dbraw/zinc/28/54/91/172285491.db2.gz YNYMLSTXZAVGEF-KBPBESRZSA-N 1 0 251.418 3.537 10 0 CHAERO CC(C)[NH2+][C@@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654241 172330869 /nfs/dbraw/zinc/33/08/69/172330869.db2.gz UNQKVRWESTXLRE-SNVBAGLBSA-N 1 0 260.164 3.815 10 0 CHAERO CC[NH2+][C@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654232 172330992 /nfs/dbraw/zinc/33/09/92/172330992.db2.gz YTGPFAGXIJINIJ-JTQLQIEISA-N 1 0 260.164 3.817 10 0 CHAERO Cc1cc2c(c(C)c1Cl)[C@H]([NH2+]C1CC1)CCCO2 ZINC000035657743 172332701 /nfs/dbraw/zinc/33/27/01/172332701.db2.gz VZGIUEZXKREMKA-GFCCVEGCSA-N 1 0 265.784 3.923 10 0 CHAERO Cc1ccc(SCc2ccc(C[NH3+])cc2F)cc1 ZINC000035722972 172378269 /nfs/dbraw/zinc/37/82/69/172378269.db2.gz CHNQGWCDBXNKES-UHFFFAOYSA-N 1 0 261.365 3.885 10 0 CHAERO COc1ccc(S[C@H]2CCCCC[C@@H]2C[NH3+])cc1 ZINC000035723794 172378593 /nfs/dbraw/zinc/37/85/93/172378593.db2.gz QEMLLUZSDRNPIX-DOMZBBRYSA-N 1 0 265.422 3.695 10 0 CHAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccc(F)cc2)C1 ZINC000035723585 172378842 /nfs/dbraw/zinc/37/88/42/172378842.db2.gz WIXDDQIWPJVWRP-JTNHKYCSSA-N 1 0 253.386 3.681 10 0 CHAERO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000035738580 172391727 /nfs/dbraw/zinc/39/17/27/172391727.db2.gz UHKDNLNRRTVVGX-KBPBESRZSA-N 1 0 281.359 3.877 10 0 CHAERO CCC[NH2+][C@@H]1C[C@@H](C)Oc2ccc(Br)cc21 ZINC000035751472 172396224 /nfs/dbraw/zinc/39/62/24/172396224.db2.gz MYNVDIAFAAVDNY-BXKDBHETSA-N 1 0 284.197 3.661 10 0 CHAERO c1c2c(cc3c1SCCC[C@H]3[NH2+]C1CC1)CCC2 ZINC000035761058 172399194 /nfs/dbraw/zinc/39/91/94/172399194.db2.gz SPWWYXUIKDYGES-OAHLLOKOSA-N 1 0 259.418 3.854 10 0 CHAERO [NH3+]Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1 ZINC000036243487 172541431 /nfs/dbraw/zinc/54/14/31/172541431.db2.gz ABWDICUJXBTTDH-UHFFFAOYSA-N 1 0 292.169 3.767 10 0 CHAERO COc1cccc([C@H]([NH3+])Cc2nc(C(C)(C)C)cs2)c1 ZINC000036280209 172570549 /nfs/dbraw/zinc/57/05/49/172570549.db2.gz YWYCEOHCJRLNTQ-CYBMUJFWSA-N 1 0 290.432 3.692 10 0 CHAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809647 172725853 /nfs/dbraw/zinc/72/58/53/172725853.db2.gz CTARGTRSTMNSFW-XQQFMLRXSA-N 1 0 298.883 3.913 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+][C@@H](C)CCC(C)C)n12 ZINC000037218524 173036512 /nfs/dbraw/zinc/03/65/12/173036512.db2.gz VPLNMUBDAQMPJA-NSHDSACASA-N 1 0 279.453 3.927 10 0 CHAERO C[NH2+]Cc1cc(F)ccc1Oc1cccc(C)c1C ZINC000037237558 173055518 /nfs/dbraw/zinc/05/55/18/173055518.db2.gz PEDQPGAHFXLBON-UHFFFAOYSA-N 1 0 259.324 3.954 10 0 CHAERO C=COCCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037239251 173055812 /nfs/dbraw/zinc/05/58/12/173055812.db2.gz RDICCQRSNABTSV-SJORKVTESA-N 1 0 259.393 3.853 10 0 CHAERO Cc1ccccc1C[C@@H]([NH3+])c1nc2ccccc2s1 ZINC000037239264 173056011 /nfs/dbraw/zinc/05/60/11/173056011.db2.gz WKTYOHMZRCSAMZ-CYBMUJFWSA-N 1 0 268.385 3.847 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1OC)C(C)C ZINC000037272509 173084631 /nfs/dbraw/zinc/08/46/31/173084631.db2.gz NRUFKJPPDIFSPU-DOMZBBRYSA-N 1 0 265.397 3.789 10 0 CHAERO CC[C@@H](C)[N@H+](CC)Cc1cc(C(C)=O)ccc1OC ZINC000037315192 173116462 /nfs/dbraw/zinc/11/64/62/173116462.db2.gz AIMMJXKIWGZVGU-GFCCVEGCSA-N 1 0 263.381 3.518 10 0 CHAERO Cc1ccc2c(c1)nc([C@H]([NH3+])CC(C)C)n2C(C)C ZINC000037438440 173208539 /nfs/dbraw/zinc/20/85/39/173208539.db2.gz CXMCBKXAPYPLQD-CYBMUJFWSA-N 1 0 259.397 3.972 10 0 CHAERO CCCC[C@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439687 173209166 /nfs/dbraw/zinc/20/91/66/173209166.db2.gz WVNUIWBOTOMMJU-LBPRGKRZSA-N 1 0 263.360 3.946 10 0 CHAERO CC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440645 173210353 /nfs/dbraw/zinc/21/03/53/173210353.db2.gz YMUJDPRKEAWRQL-SNVBAGLBSA-N 1 0 251.761 3.680 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]1CCC[NH2+]1 ZINC000037440585 173210405 /nfs/dbraw/zinc/21/04/05/173210405.db2.gz ABVJFTGRCCNERR-NSHDSACASA-N 1 0 263.772 3.524 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@H]1CCC[NH2+]1 ZINC000037440586 173210465 /nfs/dbraw/zinc/21/04/65/173210465.db2.gz ABVJFTGRCCNERR-LLVKDONJSA-N 1 0 263.772 3.524 10 0 CHAERO CCCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1CC ZINC000037440373 173210650 /nfs/dbraw/zinc/21/06/50/173210650.db2.gz OIWDMQDQBYHSPS-NSHDSACASA-N 1 0 265.788 3.900 10 0 CHAERO C[C@]([NH3+])(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000037529747 173252816 /nfs/dbraw/zinc/25/28/16/173252816.db2.gz KDYKCFNQFKFBKS-AWEZNQCLSA-N 1 0 294.167 3.810 10 0 CHAERO CCC[C@@]([NH3+])(c1ccccc1)c1ccccc1OC ZINC000037529827 173252908 /nfs/dbraw/zinc/25/29/08/173252908.db2.gz CQTNYPXBLGFSPQ-QGZVFWFLSA-N 1 0 255.361 3.698 10 0 CHAERO COc1ccccc1[C@](C)([NH3+])c1cccc(Cl)c1 ZINC000037529706 173253047 /nfs/dbraw/zinc/25/30/47/173253047.db2.gz DHPIBJCTEQKVFB-OAHLLOKOSA-N 1 0 261.752 3.571 10 0 CHAERO C[NH2+][C@H](Cc1cccc(C)c1)c1cccc(OC)c1 ZINC000037533253 173253674 /nfs/dbraw/zinc/25/36/74/173253674.db2.gz LTSCRISBTNGUDR-QGZVFWFLSA-N 1 0 255.361 3.507 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037534060 173254334 /nfs/dbraw/zinc/25/43/34/173254334.db2.gz URXQZLDMJMYUNY-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO CC(C)=CCOc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000037725114 173644030 /nfs/dbraw/zinc/64/40/30/173644030.db2.gz KZDPDLZFXGPVAQ-NSHDSACASA-N 1 0 298.224 3.684 10 0 CHAERO C/C=C/COc1c(Cl)cc(Cl)cc1C[C@@H](C)[NH3+] ZINC000037728834 173648630 /nfs/dbraw/zinc/64/86/30/173648630.db2.gz YGNYETPXLDANMB-CDAZIORVSA-N 1 0 274.191 3.838 10 0 CHAERO NC(=[NH2+])c1ccc(Oc2ccc(F)cc2Cl)cc1 ZINC000037902272 173833146 /nfs/dbraw/zinc/83/31/46/173833146.db2.gz XKOMQJZRJNLCPH-UHFFFAOYSA-N 1 0 264.687 3.555 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c(C)c1 ZINC000038009405 173975350 /nfs/dbraw/zinc/97/53/50/173975350.db2.gz BQBCVPRVSWFOTO-DOTOQJQBSA-N 1 0 281.399 3.958 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c(C)c1 ZINC000038028508 174017303 /nfs/dbraw/zinc/01/73/03/174017303.db2.gz UHYOECSRNPYCGA-IAGOWNOFSA-N 1 0 274.452 3.828 10 0 CHAERO C[C@@H](CNc1ccc2ccccc2n1)[NH+]1CCCCC1 ZINC000038029340 174019199 /nfs/dbraw/zinc/01/91/99/174019199.db2.gz RYPMLMJVNMXQDJ-AWEZNQCLSA-N 1 0 269.392 3.521 10 0 CHAERO C[C@@H](CNc1ncc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000038029350 174019875 /nfs/dbraw/zinc/01/98/75/174019875.db2.gz IMQCBZANVULZNT-JTQLQIEISA-N 1 0 288.222 3.675 10 0 CHAERO CCn1c2ccc(C)cc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036784 174035884 /nfs/dbraw/zinc/03/58/84/174035884.db2.gz MDBGDZLUPZGBSP-MRXNPFEDSA-N 1 0 271.408 3.945 10 0 CHAERO [NH3+][C@H](c1nc2ccccc2n1C1CC1)C1CCCCC1 ZINC000038036777 174035904 /nfs/dbraw/zinc/03/59/04/174035904.db2.gz ZWILICGLQSRDKC-INIZCTEOSA-N 1 0 269.392 3.951 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+]Cc2ccnc(C)n2)cc1 ZINC000038037350 174037442 /nfs/dbraw/zinc/03/74/42/174037442.db2.gz LDKWQKLLQVIQFM-ZDUSSCGKSA-N 1 0 269.392 3.588 10 0 CHAERO CCCn1c2ccccc2nc1C[NH2+]C(C1CC1)C1CC1 ZINC000038046667 174055018 /nfs/dbraw/zinc/05/50/18/174055018.db2.gz SMABMNHUUSVJTG-UHFFFAOYSA-N 1 0 283.419 3.725 10 0 CHAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@@H]1C[C@@H]1C ZINC000038058217 174068773 /nfs/dbraw/zinc/06/87/73/174068773.db2.gz ULBXSHATVVSVHL-XGWLTEMNSA-N 1 0 259.393 3.708 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070072 174080913 /nfs/dbraw/zinc/08/09/13/174080913.db2.gz QQDPOWAGNUDYEI-UHFFFAOYSA-N 1 0 254.377 3.529 10 0 CHAERO CCOc1ccc(-c2cc(C[NH2+]C)ccc2F)cc1 ZINC000038070395 174081345 /nfs/dbraw/zinc/08/13/45/174081345.db2.gz DNHPGMBTSDFBQS-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO CC[NH2+]Cc1ccc(F)c(-c2cc(F)cc(F)c2)c1 ZINC000038070270 174081410 /nfs/dbraw/zinc/08/14/10/174081410.db2.gz PFHDGQQUVQLFJN-UHFFFAOYSA-N 1 0 265.278 3.880 10 0 CHAERO Fc1ccc(-c2ccc(F)c(C[NH2+]C3CC3)c2)cc1 ZINC000038070784 174081504 /nfs/dbraw/zinc/08/15/04/174081504.db2.gz USIOHBFMIZNLFR-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO CCC[NH2+]Cc1ccccc1-c1ccc(OC)cc1 ZINC000038070962 174081902 /nfs/dbraw/zinc/08/19/02/174081902.db2.gz ZDULHMALAZOSQX-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO COc1ccc(-c2cc(C[NH3+])ccc2F)cc1Cl ZINC000038073276 174083224 /nfs/dbraw/zinc/08/32/24/174083224.db2.gz GSALPWJSAFJYQD-UHFFFAOYSA-N 1 0 265.715 3.613 10 0 CHAERO CC[C@H]([NH3+])c1ccc(-c2cnn(-c3ccccc3)c2)cc1 ZINC000038073235 174083316 /nfs/dbraw/zinc/08/33/16/174083316.db2.gz ODASBUBKRKAZCU-SFHVURJKSA-N 1 0 277.371 3.949 10 0 CHAERO C[C@H]([NH3+])c1ccccc1-c1ccc2c(c1)C[C@H](C)O2 ZINC000038073531 174084149 /nfs/dbraw/zinc/08/41/49/174084149.db2.gz GHLQBKDLDMDLLJ-RYUDHWBXSA-N 1 0 253.345 3.697 10 0 CHAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)c1cccnc1 ZINC000038077401 174087743 /nfs/dbraw/zinc/08/77/43/174087743.db2.gz JDMFCBZMYUDZQQ-QGZVFWFLSA-N 1 0 254.377 3.592 10 0 CHAERO C[NH2+][C@H]1CCOc2c(Br)c3ccccc3cc21 ZINC000038077590 174088328 /nfs/dbraw/zinc/08/83/28/174088328.db2.gz IVBQCXJBNJZUPK-LBPRGKRZSA-N 1 0 292.176 3.645 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccn1)c1ccccc1Cl ZINC000038078593 174088564 /nfs/dbraw/zinc/08/85/64/174088564.db2.gz XUXZCKMNNPGDGC-HNNXBMFYSA-N 1 0 260.768 3.628 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038095679 174109636 /nfs/dbraw/zinc/10/96/36/174109636.db2.gz JTOJLHZKBDDFHU-WMLDXEAASA-N 1 0 261.409 3.859 10 0 CHAERO CC(C)[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccs1 ZINC000038096255 174110250 /nfs/dbraw/zinc/11/02/50/174110250.db2.gz MZVJTQVTXGBIFR-JSGCOSHPSA-N 1 0 253.411 3.604 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1F ZINC000038130510 174131305 /nfs/dbraw/zinc/13/13/05/174131305.db2.gz NBGUHIQHTKYVKZ-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO Cc1cc([C@H]([NH3+])Cc2ccc(Br)cc2)c(C)o1 ZINC000038128447 174131626 /nfs/dbraw/zinc/13/16/26/174131626.db2.gz UKAYZOMFNPUHQG-CQSZACIVSA-N 1 0 294.192 3.901 10 0 CHAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1sccc1C ZINC000038133487 174132474 /nfs/dbraw/zinc/13/24/74/174132474.db2.gz LJKLFUAUBSBKBI-HNNXBMFYSA-N 1 0 275.417 3.958 10 0 CHAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH+]2CCCCC2)CC1 ZINC000039214000 174166063 /nfs/dbraw/zinc/16/60/63/174166063.db2.gz AUNPTDJMONAAJN-CYBMUJFWSA-N 1 0 254.377 3.511 10 0 CHAERO CC(C)Oc1ccc([C@H](C[NH3+])N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789149 174173427 /nfs/dbraw/zinc/17/34/27/174173427.db2.gz RCKHMPKPWRLGLM-DAYGRLMNSA-N 1 0 290.451 3.737 10 0 CHAERO C[C@@H]1CCC[C@@H](OC[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000040177339 174202345 /nfs/dbraw/zinc/20/23/45/174202345.db2.gz LPYHLUCXMLVGIY-HCKVZZMMSA-N 1 0 269.335 3.560 10 0 CHAERO [NH3+][C@H](c1ccc(Br)s1)C1CCCC1 ZINC000040236149 174212275 /nfs/dbraw/zinc/21/22/75/174212275.db2.gz GNTYOYYVVGXVNR-JTQLQIEISA-N 1 0 260.200 3.701 10 0 CHAERO CC(C)[NH2+]Cc1csc(-c2ccccc2Cl)n1 ZINC000040414306 174255394 /nfs/dbraw/zinc/25/53/94/174255394.db2.gz KUEGGCDWNDQPME-UHFFFAOYSA-N 1 0 266.797 3.962 10 0 CHAERO Cc1ccc(C[NH2+][C@@H](C)c2sc(C)nc2C)s1 ZINC000040445844 174265121 /nfs/dbraw/zinc/26/51/21/174265121.db2.gz XIAMBUCNOKCGEK-VIFPVBQESA-N 1 0 266.435 3.981 10 0 CHAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cccnc2)s1 ZINC000040517615 174307888 /nfs/dbraw/zinc/30/78/88/174307888.db2.gz WJOXLXXKLKQGBC-UWVGGRQHSA-N 1 0 261.394 3.567 10 0 CHAERO C[NH2+]C[C@H](C)c1nc(-c2cc(C)ccc2C)cs1 ZINC000041348767 174529527 /nfs/dbraw/zinc/52/95/27/174529527.db2.gz IQBYDNHHUFYTOF-LBPRGKRZSA-N 1 0 260.406 3.750 10 0 CHAERO CCc1ccc(Cn2cc(C[NH3+])c3ccccc32)cc1 ZINC000041379075 174537858 /nfs/dbraw/zinc/53/78/58/174537858.db2.gz RRBTVCNSCGFYOT-UHFFFAOYSA-N 1 0 264.372 3.711 10 0 CHAERO CC[C@H](C)[C@@H](C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000042557918 174794185 /nfs/dbraw/zinc/79/41/85/174794185.db2.gz LLHBWOAYIFZQOV-OUCADQQQSA-N 1 0 262.422 3.855 10 0 CHAERO CC[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000042578696 174802979 /nfs/dbraw/zinc/80/29/79/174802979.db2.gz AYPKBSMFBPQXEO-HUUCEWRRSA-N 1 0 253.430 3.630 10 0 CHAERO Cc1ccc(C)c([C@H](CN)[N@H+](CC(C)C)C(C)C)c1 ZINC000042579520 174804388 /nfs/dbraw/zinc/80/43/88/174804388.db2.gz YKOFYZUQNRYJHW-KRWDZBQOSA-N 1 0 262.441 3.670 10 0 CHAERO C[C@H]([NH3+])[C@H](OC1CCCCC1)c1ccc(F)cc1 ZINC000042916025 174916368 /nfs/dbraw/zinc/91/63/68/174916368.db2.gz NFWJCMXPVVCGLE-NHYWBVRUSA-N 1 0 251.345 3.563 10 0 CHAERO Cc1cccc([C@H](OCc2cccs2)[C@@H](C)[NH3+])c1 ZINC000042969428 174932814 /nfs/dbraw/zinc/93/28/14/174932814.db2.gz MUSJLPXXHUQLHK-IUODEOHRSA-N 1 0 261.390 3.662 10 0 CHAERO COc1cccc([C@@H](C[NH3+])Sc2cccs2)c1 ZINC000043032301 174949200 /nfs/dbraw/zinc/94/92/00/174949200.db2.gz FXVDDRMVFZJIRA-GFCCVEGCSA-N 1 0 265.403 3.549 10 0 CHAERO Cc1ccccc1[C@H](C[NH3+])SCc1ccccc1 ZINC000043040725 174953193 /nfs/dbraw/zinc/95/31/93/174953193.db2.gz LSSYDLAMFKBTSS-INIZCTEOSA-N 1 0 257.402 3.928 10 0 CHAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1Cl)c1ccccc1F ZINC000043046906 174957472 /nfs/dbraw/zinc/95/74/72/174957472.db2.gz JDAHQEDBKLZKAD-BMIGLBTASA-N 1 0 279.742 3.946 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1)c1ccccc1F ZINC000043047086 174957511 /nfs/dbraw/zinc/95/75/11/174957511.db2.gz RDMSMBJAACLZRP-CVEARBPZSA-N 1 0 259.324 3.683 10 0 CHAERO C[C@H]([NH3+])[C@@H](OC1CCCC1)c1ccccc1Cl ZINC000043053447 174960842 /nfs/dbraw/zinc/96/08/42/174960842.db2.gz NCKVEQUWSDCABP-IINYFYTJSA-N 1 0 253.773 3.688 10 0 CHAERO C[C@@H]([NH3+])[C@H](OC1CCCC1)c1ccccc1Br ZINC000043093949 174964385 /nfs/dbraw/zinc/96/43/85/174964385.db2.gz GLYVQPRIWFLUFV-YGRLFVJLSA-N 1 0 298.224 3.797 10 0 CHAERO COc1ccccc1[C@H](Sc1ccccc1)[C@@H](C)[NH3+] ZINC000043100650 174967523 /nfs/dbraw/zinc/96/75/23/174967523.db2.gz IRRDRJQENGKOII-MLGOLLRUSA-N 1 0 273.401 3.876 10 0 CHAERO CCCS[C@@H](c1ccccc1OC)[C@@H]([NH3+])CC ZINC000043101351 174967558 /nfs/dbraw/zinc/96/75/58/174967558.db2.gz DPOAASMEKONXOF-JSGCOSHPSA-N 1 0 253.411 3.617 10 0 CHAERO Cc1cc(C)cc(O[C@H](c2cccs2)[C@H](C)[NH3+])c1 ZINC000043108391 174973649 /nfs/dbraw/zinc/97/36/49/174973649.db2.gz FEGHUPUDMJIBOD-WFASDCNBSA-N 1 0 261.390 3.832 10 0 CHAERO CCC[C@H]([NH3+])CCc1cc(Br)cs1 ZINC000043688013 175094930 /nfs/dbraw/zinc/09/49/30/175094930.db2.gz IHTDWMBNIOFXAE-VIFPVBQESA-N 1 0 262.216 3.571 10 0 CHAERO CCC[NH2+][C@@H](C)CCc1cc(Br)cs1 ZINC000043688039 175094939 /nfs/dbraw/zinc/09/49/39/175094939.db2.gz HQUMNEDHZLCXBJ-VIFPVBQESA-N 1 0 276.243 3.831 10 0 CHAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1Cc1cccc(F)c1 ZINC000044467678 175177700 /nfs/dbraw/zinc/17/77/00/175177700.db2.gz WILQFXJNZVDJRX-WMLDXEAASA-N 1 0 255.336 3.501 10 0 CHAERO COc1cc2c(cc1Cl)CC[NH2+][C@@H]2c1ccccc1 ZINC000045287088 175353977 /nfs/dbraw/zinc/35/39/77/175353977.db2.gz SHKRYSPHCKMQQR-MRXNPFEDSA-N 1 0 273.763 3.584 10 0 CHAERO CC[C@@H](C)C[C@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591250 175811781 /nfs/dbraw/zinc/81/17/81/175811781.db2.gz XFMDWAFTFJDMOM-UKRRQHHQSA-N 1 0 298.471 3.563 10 0 CHAERO CC(C)C[C@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000070821350 176007685 /nfs/dbraw/zinc/00/76/85/176007685.db2.gz SSFOARWLOUUERI-CYBMUJFWSA-N 1 0 268.198 3.682 10 0 CHAERO C[C@H](Cc1cccs1)n1c(N)[nH+]c2cc(F)ccc21 ZINC000071271436 176104229 /nfs/dbraw/zinc/10/42/29/176104229.db2.gz SKVUKBVIPBVNHE-SECBINFHSA-N 1 0 275.352 3.623 10 0 CHAERO C[C@H](Cc1cccs1)NC1=[NH+]C2(CCCC2)CS1 ZINC000071271499 176104264 /nfs/dbraw/zinc/10/42/64/176104264.db2.gz MQHLTQYPNLNYOR-LLVKDONJSA-N 1 0 280.462 3.684 10 0 CHAERO CCC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(Cl)cc1 ZINC000071300183 176113639 /nfs/dbraw/zinc/11/36/39/176113639.db2.gz OXKPNEBMOIDRBN-HUUCEWRRSA-N 1 0 267.800 3.542 10 0 CHAERO CCC[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(Cl)cc1 ZINC000071300174 176113711 /nfs/dbraw/zinc/11/37/11/176113711.db2.gz OXKPNEBMOIDRBN-GJZGRUSLSA-N 1 0 267.800 3.542 10 0 CHAERO COc1cc(C)c(Cl)c(C)c1CCCCC[NH3+] ZINC000071577245 176205720 /nfs/dbraw/zinc/20/57/20/176205720.db2.gz LCJAXCADHVYHIB-UHFFFAOYSA-N 1 0 255.789 3.637 10 0 CHAERO COc1cc(Cl)c([C@H]([NH3+])C2CCC2)cc1Cl ZINC000071586003 176211787 /nfs/dbraw/zinc/21/17/87/176211787.db2.gz OJVMQEJCUKHQER-GFCCVEGCSA-N 1 0 260.164 3.802 10 0 CHAERO CCCCc1ccc([C@H](N)C[NH+]2CCCCC2)cc1 ZINC000071587058 176214092 /nfs/dbraw/zinc/21/40/92/176214092.db2.gz IDBOBJLRWXCJRH-QGZVFWFLSA-N 1 0 260.425 3.515 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2COc1ccccc1 ZINC000071652004 176241768 /nfs/dbraw/zinc/24/17/68/176241768.db2.gz AFFLDWFOFIRJIG-SFHVURJKSA-N 1 0 297.398 3.696 10 0 CHAERO C[C@@H](CC[NH2+]C1CC1)c1cc(Br)ccc1F ZINC000076497719 177029398 /nfs/dbraw/zinc/02/93/98/177029398.db2.gz ZXNOGPLMPHHWKX-VIFPVBQESA-N 1 0 286.188 3.834 10 0 CHAERO c1ccc(Oc2ccc(-c3n[nH]c4c3C[NH2+]CC4)cc2)cc1 ZINC000076537664 177035831 /nfs/dbraw/zinc/03/58/31/177035831.db2.gz HEXJQKMHRJNYHR-UHFFFAOYSA-N 1 0 291.354 3.515 10 0 CHAERO [NH3+]CC[C@H](CCc1cccc(F)c1)c1ccccc1 ZINC000076664555 177050679 /nfs/dbraw/zinc/05/06/79/177050679.db2.gz KDNTXZBAGCJKCR-INIZCTEOSA-N 1 0 257.352 3.891 10 0 CHAERO CCc1cc([C@H](CC[NH3+])C2CCCC2)ccc1OC ZINC000076673327 177054713 /nfs/dbraw/zinc/05/47/13/177054713.db2.gz KFSFGDIJAIXIGP-MRXNPFEDSA-N 1 0 261.409 3.880 10 0 CHAERO CC(C)Oc1ccc([C@@H](CC[NH3+])C2CCC2)cc1F ZINC000076681707 177058993 /nfs/dbraw/zinc/05/89/93/177058993.db2.gz NQZZLSHFWIOVFX-AWEZNQCLSA-N 1 0 265.372 3.845 10 0 CHAERO [NH3+]CC[C@H](CCc1ccc(Cl)cc1)c1ccncc1 ZINC000076722157 177070105 /nfs/dbraw/zinc/07/01/05/177070105.db2.gz BOLOSVHOXSKVIT-AWEZNQCLSA-N 1 0 274.795 3.800 10 0 CHAERO Cc1cc(C)c(NC(=O)C[C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000076749969 177085529 /nfs/dbraw/zinc/08/55/29/177085529.db2.gz PFTCCQHSPOZAFQ-OAHLLOKOSA-N 1 0 276.424 3.561 10 0 CHAERO C[NH2+][C@@H](C)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000076784799 177092311 /nfs/dbraw/zinc/09/23/11/177092311.db2.gz SITREQKNAGRHRH-NSHDSACASA-N 1 0 276.405 3.878 10 0 CHAERO [NH3+]C[C@H](c1cccs1)c1ccc(Br)s1 ZINC000076805092 177100127 /nfs/dbraw/zinc/10/01/27/177100127.db2.gz BTRLRHYGUVNQLJ-SSDOTTSWSA-N 1 0 288.235 3.663 10 0 CHAERO COCc1c2cc(-c3ccccc3)ccc2oc1C[NH3+] ZINC000077072062 177188013 /nfs/dbraw/zinc/18/80/13/177188013.db2.gz CKUMKTPYEHMSDS-UHFFFAOYSA-N 1 0 267.328 3.705 10 0 CHAERO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640405 335073119 /nfs/dbraw/zinc/07/31/19/335073119.db2.gz GWRNHEXIQOGCNH-SJLPKXTDSA-N 1 0 295.430 3.967 10 0 CHAERO COc1ccc([C@H](C)CC[NH2+]C2CC2)c(Cl)c1 ZINC000077607521 177284493 /nfs/dbraw/zinc/28/44/93/177284493.db2.gz IITTZJOABMIKPU-SNVBAGLBSA-N 1 0 253.773 3.594 10 0 CHAERO Cc1cc([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c(C)o1 ZINC000037167325 260072178 /nfs/dbraw/zinc/07/21/78/260072178.db2.gz IKVMESVNXYJLGB-UKRRQHHQSA-N 1 0 266.429 3.523 10 0 CHAERO OCCCCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000192935086 227397096 /nfs/dbraw/zinc/39/70/96/227397096.db2.gz DIALSWMWYYBCBH-UHFFFAOYSA-N 1 0 295.426 3.627 10 0 CHAERO [NH3+][C@H](CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000037030536 260063322 /nfs/dbraw/zinc/06/33/22/260063322.db2.gz RPURGFKCSQYBEK-CQSZACIVSA-N 1 0 292.741 3.508 10 0 CHAERO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037231892 260076293 /nfs/dbraw/zinc/07/62/93/260076293.db2.gz KCPYHBCHXUYBOV-GDBMZVCRSA-N 1 0 288.435 3.899 10 0 CHAERO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037231893 260076420 /nfs/dbraw/zinc/07/64/20/260076420.db2.gz KCPYHBCHXUYBOV-GOEBONIOSA-N 1 0 288.435 3.899 10 0 CHAERO Cc1ccc([C@@H]([NH2+][C@H](C)CO)c2ccccc2Cl)cc1 ZINC000180208294 260095507 /nfs/dbraw/zinc/09/55/07/260095507.db2.gz QQRIALKWYCUFSI-CXAGYDPISA-N 1 0 289.806 3.708 10 0 CHAERO CCc1ncc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)s1 ZINC000037924153 260120600 /nfs/dbraw/zinc/12/06/00/260120600.db2.gz ZUKURQVWOPSPAZ-SECBINFHSA-N 1 0 282.359 3.835 10 0 CHAERO C[C@@H]([NH3+])CCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000070317781 260155741 /nfs/dbraw/zinc/15/57/41/260155741.db2.gz SBQBBXPADICCSX-CYBMUJFWSA-N 1 0 284.359 3.545 10 0 CHAERO C[C@H]([NH3+])CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000070314680 260156178 /nfs/dbraw/zinc/15/61/78/260156178.db2.gz GEKGTHFORDPOGP-ZDUSSCGKSA-N 1 0 284.359 3.545 10 0 CHAERO CCCCC1CCC(C(=O)N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000074535297 260165534 /nfs/dbraw/zinc/16/55/34/260165534.db2.gz CPBYDQLSPZYIJE-OFLPRAFFSA-N 1 0 294.483 3.713 10 0 CHAERO CN1C(=O)C[C@@H]([NH2+]C2CCC(C)(C)CC2)c2ccccc21 ZINC000079677133 260176811 /nfs/dbraw/zinc/17/68/11/260176811.db2.gz QYPUTIVBZRKTJZ-OAHLLOKOSA-N 1 0 286.419 3.653 10 0 CHAERO CCC(CC)[C@H](NC(=O)[C@H](C[NH3+])C(C)C)c1ccccc1 ZINC000087522538 260187139 /nfs/dbraw/zinc/18/71/39/260187139.db2.gz OFISONNDKYDLCO-SJORKVTESA-N 1 0 290.451 3.511 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1C ZINC000085040820 260198151 /nfs/dbraw/zinc/19/81/51/260198151.db2.gz BDOQRKPUMGSQKO-RSUWNVLCSA-N 1 0 277.456 3.995 10 0 CHAERO C[C@H]([NH2+]CCC(C)(C)O)c1c(Cl)ccc(F)c1Cl ZINC000310912402 260231761 /nfs/dbraw/zinc/23/17/61/260231761.db2.gz FIQMVXDPQRPIKP-QMMMGPOBSA-N 1 0 294.197 3.944 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000091010002 260264429 /nfs/dbraw/zinc/26/44/29/260264429.db2.gz IMTMOQLLGPRBMV-OAHLLOKOSA-N 1 0 258.365 3.658 10 0 CHAERO CCCn1ccc(C[NH2+]Cc2cccc(OCC)c2)c1 ZINC000091012225 260264772 /nfs/dbraw/zinc/26/47/72/260264772.db2.gz ALWTZRNWSHNQNV-UHFFFAOYSA-N 1 0 272.392 3.587 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2)c1 ZINC000091012331 260264872 /nfs/dbraw/zinc/26/48/72/260264872.db2.gz PMOOGRDTPQYJQZ-AWEZNQCLSA-N 1 0 272.392 3.758 10 0 CHAERO CC[C@H]([NH2+]Cc1cccn1CC)c1ccc(OC)cc1 ZINC000091024435 260265091 /nfs/dbraw/zinc/26/50/91/260265091.db2.gz HDRJSHFXJHEADG-KRWDZBQOSA-N 1 0 272.392 3.758 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091024560 260265153 /nfs/dbraw/zinc/26/51/53/260265153.db2.gz TYZKCHSQDFBNAO-KRWDZBQOSA-N 1 0 254.377 3.749 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000093248819 260273409 /nfs/dbraw/zinc/27/34/09/260273409.db2.gz JDUBZRXOVHDMSM-VQIMIIECSA-N 1 0 281.399 3.711 10 0 CHAERO CCC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1ccccc1 ZINC000040502444 260285168 /nfs/dbraw/zinc/28/51/68/260285168.db2.gz MWAOEJKESMXXMS-DLBZAZTESA-N 1 0 260.425 3.602 10 0 CHAERO Cc1cc(C)n(CCC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000130657456 260398811 /nfs/dbraw/zinc/39/88/11/260398811.db2.gz HUOIPIUBDMMTOC-CJNGLKHVSA-N 1 0 277.456 3.694 10 0 CHAERO CC[C@@H]([NH2+]Cc1ccc(Br)cn1)C(C)(C)C ZINC000394501392 261174303 /nfs/dbraw/zinc/17/43/03/261174303.db2.gz NOZFYSIEIUUEDS-GFCCVEGCSA-N 1 0 285.229 3.758 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(C)cc1 ZINC000300409948 261199079 /nfs/dbraw/zinc/19/90/79/261199079.db2.gz CRJOPHICWXLKTM-ULQDDVLXSA-N 1 0 261.409 3.587 10 0 CHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000106211216 261322701 /nfs/dbraw/zinc/32/27/01/261322701.db2.gz JETSJKQSRMANJQ-GOSISDBHSA-N 1 0 297.446 3.991 10 0 CHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1ccccc1 ZINC000106211424 261322875 /nfs/dbraw/zinc/32/28/75/261322875.db2.gz JWIJYRCDMCJHOU-WMLDXEAASA-N 1 0 283.419 3.935 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)COCc2ccccc2)o1 ZINC000178066510 261375891 /nfs/dbraw/zinc/37/58/91/261375891.db2.gz VYGMXBGBAYRGGF-ZFWWWQNUSA-N 1 0 273.376 3.844 10 0 CHAERO COCCC[C@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000178484394 261745084 /nfs/dbraw/zinc/74/50/84/261745084.db2.gz XHLFLDLMSKAZIO-DZGCQCFKSA-N 1 0 277.408 3.694 10 0 CHAERO COc1ccc([C@H](C)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000180262677 261850781 /nfs/dbraw/zinc/85/07/81/261850781.db2.gz SEGDVARPQLBIIG-RDTXWAMCSA-N 1 0 299.418 3.749 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000228270491 261901176 /nfs/dbraw/zinc/90/11/76/261901176.db2.gz IMWDWDADRYCAQI-FZQKWOKYSA-N 1 0 280.209 3.898 10 0 CHAERO CC(C)(COCc1ccccc1)[NH2+]C[C@H]1Cc2ccccc21 ZINC000390254063 262167213 /nfs/dbraw/zinc/16/72/13/262167213.db2.gz VQVYOMJHSCARQM-GOSISDBHSA-N 1 0 295.426 3.911 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000293742600 263148741 /nfs/dbraw/zinc/14/87/41/263148741.db2.gz HUFAOJCUKCQDAU-QSJFSLAZSA-N 1 0 261.409 3.910 10 0 CHAERO Cc1ccc2cc(C[NH2+][C@@H]3COc4ccccc43)ccc2n1 ZINC000187642379 263263405 /nfs/dbraw/zinc/26/34/05/263263405.db2.gz JWASNQHRNQYHKN-GOSISDBHSA-N 1 0 290.366 3.767 10 0 CHAERO CCC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccsc1 ZINC000187732516 263267897 /nfs/dbraw/zinc/26/78/97/263267897.db2.gz UPXRGZVKJQDOTJ-QEJZJMRPSA-N 1 0 267.438 3.730 10 0 CHAERO COC[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000093248878 263527271 /nfs/dbraw/zinc/52/72/71/263527271.db2.gz LPADXPXNCPNAOK-BEFAXECRSA-N 1 0 283.415 3.957 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccccc1 ZINC000189301510 264287697 /nfs/dbraw/zinc/28/76/97/264287697.db2.gz LZGGQQAVBSBZRG-XKGZKEIXSA-N 1 0 295.426 3.835 10 0 CHAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000361954196 266911256 /nfs/dbraw/zinc/91/12/56/266911256.db2.gz WXTVNTFMGNAVPB-LEWSCRJBSA-N 1 0 253.386 3.679 10 0 CHAERO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(C(C)(C)C)cc1 ZINC000182610608 327814036 /nfs/dbraw/zinc/81/40/36/327814036.db2.gz FGAXKTDEDUJWRV-UKRRQHHQSA-N 1 0 289.419 3.588 10 0 CHAERO Clc1cccc(C2CC([NH2+][C@H]3CCCOCC3)C2)c1 ZINC000312025371 327926898 /nfs/dbraw/zinc/92/68/98/327926898.db2.gz LZSPMLBIBLEMCT-SIWZUTFBSA-N 1 0 279.811 3.745 10 0 CHAERO Cc1cc(OCC[NH2+][C@H](C)[C@@H]2CCCO2)ccc1C(C)C ZINC000047943961 327944594 /nfs/dbraw/zinc/94/45/94/327944594.db2.gz YDEKWLOOFHUYNQ-QAPCUYQASA-N 1 0 291.435 3.654 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640533 328014363 /nfs/dbraw/zinc/01/43/63/328014363.db2.gz FCFUJJZQMGNAFX-QGZVFWFLSA-N 1 0 292.467 3.540 10 0 CHAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000040775727 328020387 /nfs/dbraw/zinc/02/03/87/328020387.db2.gz PLCUGKCHISNODW-UONOGXRCSA-N 1 0 275.392 3.799 10 0 CHAERO C[NH2+]Cc1cccc(NC(=O)c2cc3ccccc3s2)c1 ZINC000048856102 328323165 /nfs/dbraw/zinc/32/31/65/328323165.db2.gz XCWWVCUIHDMQCT-UHFFFAOYSA-N 1 0 296.395 3.873 10 0 CHAERO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2CCOCC2)cc1 ZINC000111157419 328328220 /nfs/dbraw/zinc/32/82/20/328328220.db2.gz AIZWPHMERNIPGU-ROUUACIJSA-N 1 0 273.420 3.729 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000050182381 328388138 /nfs/dbraw/zinc/38/81/38/328388138.db2.gz QIBUWUANOYAZOS-HNNXBMFYSA-N 1 0 271.408 3.618 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000050182380 328388261 /nfs/dbraw/zinc/38/82/61/328388261.db2.gz QIBUWUANOYAZOS-OAHLLOKOSA-N 1 0 271.408 3.618 10 0 CHAERO CCC[C@@H]([NH3+])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000036872675 326830084 /nfs/dbraw/zinc/83/00/84/326830084.db2.gz BFHAIAHZMVSAOG-CQSZACIVSA-N 1 0 284.359 3.545 10 0 CHAERO CCn1cncc1C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000090170431 327031700 /nfs/dbraw/zinc/03/17/00/327031700.db2.gz KPRDFZJWIUNAJV-HNNXBMFYSA-N 1 0 285.435 3.952 10 0 CHAERO CC(C)COc1cccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000560966735 327355178 /nfs/dbraw/zinc/35/51/78/327355178.db2.gz PNTYBKBMYAEGOR-HUUCEWRRSA-N 1 0 276.424 3.521 10 0 CHAERO COc1ccc2cc([C@H](C)[NH2+][C@@H]3C[C@H]3C)ccc2c1 ZINC000052271834 328641991 /nfs/dbraw/zinc/64/19/91/328641991.db2.gz IJUAEOVTDPDGJH-BWACUDIHSA-N 1 0 255.361 3.907 10 0 CHAERO COc1ccccc1C[C@@H]([NH2+]CC1(SC)CC1)C(C)C ZINC000193814054 329063224 /nfs/dbraw/zinc/06/32/24/329063224.db2.gz UHDMFQDQCSZFTI-OAHLLOKOSA-N 1 0 293.476 3.748 10 0 CHAERO CC(C)n1ccc(CN2CC=C(c3cccs3)CC2)n1 ZINC000172193809 329082071 /nfs/dbraw/zinc/08/20/71/329082071.db2.gz UZVBWNAKJAVXQG-UHFFFAOYSA-N 1 0 287.432 3.815 10 0 CHAERO CCn1c(C)nnc1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000171943766 329082288 /nfs/dbraw/zinc/08/22/88/329082288.db2.gz XXLXYBPIBDKQPG-SFHVURJKSA-N 1 0 298.434 3.628 10 0 CHAERO CCn1c(C)nnc1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000171943769 329082391 /nfs/dbraw/zinc/08/23/91/329082391.db2.gz XXLXYBPIBDKQPG-GOSISDBHSA-N 1 0 298.434 3.628 10 0 CHAERO CCc1csc([C@@H]2CCC[N@H+](CCCSC)C2)n1 ZINC000173603391 329149722 /nfs/dbraw/zinc/14/97/22/329149722.db2.gz KVHDZAQQUMHTAQ-GFCCVEGCSA-N 1 0 284.494 3.638 10 0 CHAERO Cc1cccc([C@H](C)[NH2+]CC[C@@H]2c3ccccc3NC2=O)c1 ZINC000173818180 329152517 /nfs/dbraw/zinc/15/25/17/329152517.db2.gz FSBBTDRPZJOCPU-WMLDXEAASA-N 1 0 294.398 3.772 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+]CC[C@H]2c3ccccc3NC2=O)c1 ZINC000173818190 329152526 /nfs/dbraw/zinc/15/25/26/329152526.db2.gz FSBBTDRPZJOCPU-PBHICJAKSA-N 1 0 294.398 3.772 10 0 CHAERO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccoc1 ZINC000178160437 329197056 /nfs/dbraw/zinc/19/70/56/329197056.db2.gz JKPKRZSSQBTBHM-CQSZACIVSA-N 1 0 276.424 3.585 10 0 CHAERO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c[nH]1 ZINC000179974118 329213951 /nfs/dbraw/zinc/21/39/51/329213951.db2.gz UDFXZAPJPSHRAM-AWEZNQCLSA-N 1 0 281.359 3.536 10 0 CHAERO Cc1cncc([C@H](C)[NH2+]C[C@H]2CCN(C)c3ccccc32)c1 ZINC000184439824 329257938 /nfs/dbraw/zinc/25/79/38/329257938.db2.gz WCRHMSXXYZZKBO-JKSUJKDBSA-N 1 0 295.430 3.664 10 0 CHAERO Cc1ccc(CNCc2ncc(-c3ccccc3)cn2)cc1 ZINC000185877829 329334121 /nfs/dbraw/zinc/33/41/21/329334121.db2.gz YDEXVMNHNXJXDS-UHFFFAOYSA-N 1 0 289.382 3.742 10 0 CHAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)C(C)C ZINC000187100263 329353886 /nfs/dbraw/zinc/35/38/86/329353886.db2.gz KPTHEQXCLCHCHL-AWEZNQCLSA-N 1 0 284.403 3.891 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038095861 329364243 /nfs/dbraw/zinc/36/42/43/329364243.db2.gz FWTXYURVMQPJCD-RDJZCZTQSA-N 1 0 291.435 3.941 10 0 CHAERO Cc1cncc(C[NH+]2CCC(Nc3ccccc3F)CC2)c1 ZINC000189957482 329390782 /nfs/dbraw/zinc/39/07/82/329390782.db2.gz FSPGVZAWFPZSQR-UHFFFAOYSA-N 1 0 299.393 3.606 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)[C@H]1C[C@@H]1C ZINC000321939194 329433357 /nfs/dbraw/zinc/43/33/57/329433357.db2.gz UWJCEOOHMVWFAT-NEBZKDRISA-N 1 0 277.408 3.789 10 0 CHAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000038096082 329551181 /nfs/dbraw/zinc/55/11/81/329551181.db2.gz MVIQDIQBSCIIIQ-ZJUUUORDSA-N 1 0 259.802 3.621 10 0 CHAERO CC1(C)C[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000045117459 329596982 /nfs/dbraw/zinc/59/69/82/329596982.db2.gz SCOCPGOLINCLRT-RYUDHWBXSA-N 1 0 251.370 3.751 10 0 CHAERO C[C@@H](CCc1ccccc1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504080 329691672 /nfs/dbraw/zinc/69/16/72/329691672.db2.gz MMDSJQZJDMXUKN-INIZCTEOSA-N 1 0 297.446 3.621 10 0 CHAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cc(C)ccc1OC ZINC000246527829 329866871 /nfs/dbraw/zinc/86/68/71/329866871.db2.gz VCSROBICBJHAAP-BHYGNILZSA-N 1 0 291.435 3.595 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1F ZINC000248734906 329898193 /nfs/dbraw/zinc/89/81/93/329898193.db2.gz DNHNPMGKSGZKRT-OWRWGESLSA-N 1 0 281.346 3.573 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(C)cc1 ZINC000248864605 329901056 /nfs/dbraw/zinc/90/10/56/329901056.db2.gz QACCJZYNNYKCQU-OKZBNKHCSA-N 1 0 273.420 3.993 10 0 CHAERO Cc1ccc([C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)C2CC2)cc1 ZINC000248904050 329902018 /nfs/dbraw/zinc/90/20/18/329902018.db2.gz URNIVXYAXKLBQI-OTWHNJEPSA-N 1 0 285.431 3.993 10 0 CHAERO Cc1cnn(C)c1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000285384957 329954193 /nfs/dbraw/zinc/95/41/93/329954193.db2.gz GXECOALLHKBFDZ-CQSZACIVSA-N 1 0 271.408 3.703 10 0 CHAERO CCC(O)(CC)C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000087015321 329979822 /nfs/dbraw/zinc/97/98/22/329979822.db2.gz WOTIUENCIUYFDI-INIZCTEOSA-N 1 0 273.376 3.510 10 0 CHAERO CCOc1ccc(C[NH2+][C@@H](C)c2ccncc2Cl)cc1 ZINC000421825067 330083325 /nfs/dbraw/zinc/08/33/25/330083325.db2.gz LMJNPIGKJSWGAM-LBPRGKRZSA-N 1 0 290.794 3.985 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000272180672 330084987 /nfs/dbraw/zinc/08/49/87/330084987.db2.gz ZBMGCBMZBLWFOU-JFGNBEQYSA-N 1 0 271.763 3.697 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)c1C ZINC000396932819 330231641 /nfs/dbraw/zinc/23/16/41/330231641.db2.gz BDYHDJNAVFTKCA-UWVGGRQHSA-N 1 0 291.361 3.759 10 0 CHAERO CCOC(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000044288370 330327234 /nfs/dbraw/zinc/32/72/34/330327234.db2.gz LBJCZEXHSILNCV-SECBINFHSA-N 1 0 290.190 3.597 10 0 CHAERO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cnn1-c1cccc(Cl)c1 ZINC000120412269 330388604 /nfs/dbraw/zinc/38/86/04/330388604.db2.gz DUUKSUPWKPTKJD-XMZIXOGTSA-N 1 0 289.810 3.893 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1OC(F)(F)F ZINC000120425304 330388672 /nfs/dbraw/zinc/38/86/72/330388672.db2.gz WSPHHXMOHIQALM-QXEWZRGKSA-N 1 0 259.271 3.644 10 0 CHAERO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000090037121 330390127 /nfs/dbraw/zinc/39/01/27/330390127.db2.gz DFFWCCJZJUUEOG-STQMWFEESA-N 1 0 271.408 3.895 10 0 CHAERO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000090400121 330392307 /nfs/dbraw/zinc/39/23/07/330392307.db2.gz NYAIZWSERKUCDE-ZWNOBZJWSA-N 1 0 274.389 3.626 10 0 CHAERO CCCCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000149450539 330574223 /nfs/dbraw/zinc/57/42/23/330574223.db2.gz JDURRBDWXUPXBF-RHSMWYFYSA-N 1 0 277.408 3.523 10 0 CHAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000152323504 330631717 /nfs/dbraw/zinc/63/17/17/330631717.db2.gz GPGAWPKJIBJXJR-WFASDCNBSA-N 1 0 275.417 3.542 10 0 CHAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000453205995 331101355 /nfs/dbraw/zinc/10/13/55/331101355.db2.gz DQLQCZIPTGUZBX-ZMJPVWNMSA-N 1 0 267.438 3.911 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(CC)CCC2)c1C ZINC000165328883 331306176 /nfs/dbraw/zinc/30/61/76/331306176.db2.gz OXUUWLJTLJCSJT-LBPRGKRZSA-N 1 0 263.429 3.751 10 0 CHAERO CC[C@@H](CCO)[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000166092954 331306685 /nfs/dbraw/zinc/30/66/85/331306685.db2.gz BECVCGDBTLFJTQ-HKUYNNGSSA-N 1 0 283.415 3.835 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000167283383 331308197 /nfs/dbraw/zinc/30/81/97/331308197.db2.gz OJSZQESYPXRTNH-BLBGDKDGSA-N 1 0 284.172 3.574 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000466423545 331395487 /nfs/dbraw/zinc/39/54/87/331395487.db2.gz ATTAVNANJMVMMB-XGUBFFRZSA-N 1 0 253.430 3.748 10 0 CHAERO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000466427098 331396753 /nfs/dbraw/zinc/39/67/53/331396753.db2.gz VENSPUAIAUBMSW-SCAQPMJSSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2ccc(Cl)s2)C[C@@H](C)O1 ZINC000466427190 331396770 /nfs/dbraw/zinc/39/67/70/331396770.db2.gz VUCZLHUJDQGSIN-NXEZZACHSA-N 1 0 273.829 3.695 10 0 CHAERO C[C@@H]1CC(C[NH2+]C2CCC(C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000467439704 331419465 /nfs/dbraw/zinc/41/94/65/331419465.db2.gz XDBGUJKUAYSMNT-IENTYSSBSA-N 1 0 293.373 3.901 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCC12CCCC2 ZINC000474051916 331565829 /nfs/dbraw/zinc/56/58/29/331565829.db2.gz DTERJZQZJJNEPA-DOTOQJQBSA-N 1 0 273.420 3.904 10 0 CHAERO CC[C@H]([NH2+]CCSCC(F)(F)F)C(C)(C)C ZINC000309686246 333047184 /nfs/dbraw/zinc/04/71/84/333047184.db2.gz HKOQFJKTAIAFRP-VIFPVBQESA-N 1 0 257.365 3.696 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]CC2CCC(C)(C)CC2)o1 ZINC000336793867 335119778 /nfs/dbraw/zinc/11/97/78/335119778.db2.gz YSFNCPCXKCXBFZ-GFCCVEGCSA-N 1 0 250.386 3.850 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)s1 ZINC000089216104 333095732 /nfs/dbraw/zinc/09/57/32/333095732.db2.gz BKHMHNLXABAOHN-VWYCJHECSA-N 1 0 284.856 3.677 10 0 CHAERO OC1(C2CC2)CN(Cc2sc3ccccc3c2Cl)C1 ZINC000089678419 333102726 /nfs/dbraw/zinc/10/27/26/333102726.db2.gz YUYBUSRLMKLVDQ-UHFFFAOYSA-N 1 0 293.819 3.511 10 0 CHAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000218965705 333139317 /nfs/dbraw/zinc/13/93/17/333139317.db2.gz BNSIFNKPCQQLNW-WMLDXEAASA-N 1 0 254.377 3.821 10 0 CHAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000219003479 333139874 /nfs/dbraw/zinc/13/98/74/333139874.db2.gz ZVGVBHGTYRSVCI-AAEUAGOBSA-N 1 0 288.218 3.634 10 0 CHAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000219003621 333139951 /nfs/dbraw/zinc/13/99/51/333139951.db2.gz ZVGVBHGTYRSVCI-WCQYABFASA-N 1 0 288.218 3.634 10 0 CHAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000219017212 333140335 /nfs/dbraw/zinc/14/03/35/333140335.db2.gz QBEUBUBNMFKNAG-FZMZJTMJSA-N 1 0 288.218 3.634 10 0 CHAERO c1cnn(CC2CC[NH+](CCCCc3ccccc3)CC2)c1 ZINC000186985538 333167016 /nfs/dbraw/zinc/16/70/16/333167016.db2.gz RPZRGYJPHYKWLQ-UHFFFAOYSA-N 1 0 297.446 3.618 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)C1CCSCC1 ZINC000187260605 333169132 /nfs/dbraw/zinc/16/91/32/333169132.db2.gz DANYCPRKFRHWON-HUUCEWRRSA-N 1 0 293.476 3.713 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)C2)c1C ZINC000222669712 333198690 /nfs/dbraw/zinc/19/86/90/333198690.db2.gz WNTGMIMKPGBTBX-WWGRRREGSA-N 1 0 277.456 3.997 10 0 CHAERO CC/C=C/CC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189911901 333200308 /nfs/dbraw/zinc/20/03/08/333200308.db2.gz WPMSSLWFRVPAON-RGDDUWESSA-N 1 0 269.392 3.879 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000223262280 333205929 /nfs/dbraw/zinc/20/59/29/333205929.db2.gz WPTKVJXKNQHBRN-JLSDUUJJSA-N 1 0 275.436 3.729 10 0 CHAERO CCOC1CC([NH2+][C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000224442193 333220848 /nfs/dbraw/zinc/22/08/48/333220848.db2.gz IVKRBQHTMMZZPS-VBRUCIBASA-N 1 0 259.393 3.782 10 0 CHAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000229195359 333301462 /nfs/dbraw/zinc/30/14/62/333301462.db2.gz BFIOSESBYIEHNO-IINYFYTJSA-N 1 0 288.218 3.634 10 0 CHAERO CC(C)CCC[C@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000229405481 333304537 /nfs/dbraw/zinc/30/45/37/333304537.db2.gz PPPNATJKFQZMLU-HNNXBMFYSA-N 1 0 282.472 3.617 10 0 CHAERO C[C@H](CC[NH2+][C@@H]1COc2ccccc21)c1ccccc1 ZINC000070528703 333814999 /nfs/dbraw/zinc/81/49/99/333814999.db2.gz RIAOVOYEVVEVBH-RHSMWYFYSA-N 1 0 267.372 3.904 10 0 CHAERO COCCOCCCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000130206153 333823661 /nfs/dbraw/zinc/82/36/61/333823661.db2.gz PHSOHCOATNPCFF-CVEARBPZSA-N 1 0 285.472 3.624 10 0 CHAERO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000132872743 334008475 /nfs/dbraw/zinc/00/84/75/334008475.db2.gz NLUOPVQNJGHPIG-IAGOWNOFSA-N 1 0 295.430 3.885 10 0 CHAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000135296333 334124278 /nfs/dbraw/zinc/12/42/78/334124278.db2.gz JCLCOYLSBFRMOL-JJRVBVJISA-N 1 0 261.409 3.713 10 0 CHAERO C[C@@H]([NH3+])[C@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881438 334140491 /nfs/dbraw/zinc/14/04/91/334140491.db2.gz MHHJICGSBLADCB-CIDNJEQPSA-N 1 0 266.473 3.508 10 0 CHAERO C[C@H]([NH3+])[C@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881395 334140534 /nfs/dbraw/zinc/14/05/34/334140534.db2.gz MHHJICGSBLADCB-UIDBIOKJSA-N 1 0 266.473 3.508 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000080453133 334171632 /nfs/dbraw/zinc/17/16/32/334171632.db2.gz TVFWSMAICLKHKE-MJBXVCDLSA-N 1 0 277.408 3.933 10 0 CHAERO CCOCc1ccccc1C[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000080457108 334171684 /nfs/dbraw/zinc/17/16/84/334171684.db2.gz NLDGPNMFPNRULM-WMLDXEAASA-N 1 0 261.409 3.891 10 0 CHAERO CCN1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000245224680 334185231 /nfs/dbraw/zinc/18/52/31/334185231.db2.gz BHIQOMAFMHLGKE-HYVNUMGLSA-N 1 0 266.473 3.521 10 0 CHAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000248658591 334312212 /nfs/dbraw/zinc/31/22/12/334312212.db2.gz UKCLXORMEJNLOY-CZUORRHYSA-N 1 0 299.842 3.510 10 0 CHAERO CC(C)[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccccc1Cl ZINC000248962588 334323315 /nfs/dbraw/zinc/32/33/15/334323315.db2.gz BJGAESGDMACVMC-ZENOOKHLSA-N 1 0 281.827 3.788 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000249780221 334340340 /nfs/dbraw/zinc/34/03/40/334340340.db2.gz GYFZOCRILJQVOM-QILLFSRXSA-N 1 0 291.435 3.677 10 0 CHAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000250543678 334345903 /nfs/dbraw/zinc/34/59/03/334345903.db2.gz ZRYSPJLSNKRZPO-BPQIPLTHSA-N 1 0 273.420 3.595 10 0 CHAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000251478685 334362040 /nfs/dbraw/zinc/36/20/40/334362040.db2.gz FKTUDBZQQMRBLM-JFIYKMOQSA-N 1 0 289.463 3.884 10 0 CHAERO C[C@@H](c1ccccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251595450 334365064 /nfs/dbraw/zinc/36/50/64/334365064.db2.gz YJLFCNKGDBWGBH-KBPBESRZSA-N 1 0 278.827 3.571 10 0 CHAERO CC[C@H]([NH2+]CC1CC(O)C1)c1ccc(Cl)cc1Cl ZINC000091415820 334378123 /nfs/dbraw/zinc/37/81/23/334378123.db2.gz CZKXRCMKVUZHNY-IUVQJJGASA-N 1 0 288.218 3.805 10 0 CHAERO C[C@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000252709403 334385929 /nfs/dbraw/zinc/38/59/29/334385929.db2.gz CUSHFUXKCNJMKC-FQPOAREZSA-N 1 0 280.209 3.995 10 0 CHAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000381973956 336079362 /nfs/dbraw/zinc/07/93/62/336079362.db2.gz CVUAZTHTEJQWMW-NZFPMDFQSA-N 1 0 255.814 3.892 10 0 CHAERO CCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(OC(C)C)cc1 ZINC000054593454 519940384 /nfs/dbraw/zinc/94/03/84/519940384.db2.gz HQOWEGKAVOABQY-WBVHZDCISA-N 1 0 261.409 3.751 10 0 CHAERO CC[NH2+]C[C@@]1(OC2CCCCC2)CCC[C@@H](C)C1 ZINC000050504106 519957400 /nfs/dbraw/zinc/95/74/00/519957400.db2.gz YCEXJDSHBYXYCS-GDBMZVCRSA-N 1 0 253.430 3.894 10 0 CHAERO CC[NH2+]C[C@H]1C[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000054591948 519981969 /nfs/dbraw/zinc/98/19/69/519981969.db2.gz RCFXHTKTZQTVRW-CHWSQXEVSA-N 1 0 257.299 3.593 10 0 CHAERO CCC[NH2+][C@H](C[C@H]1CCCO1)c1ccc(F)cc1C ZINC000055223673 520086280 /nfs/dbraw/zinc/08/62/80/520086280.db2.gz MLKZATFKEJIJQZ-GDBMZVCRSA-N 1 0 265.372 3.744 10 0 CHAERO CCC[NH2+][C@H]1CCC[C@H]1Cc1ccc(F)cc1F ZINC000050885274 520094274 /nfs/dbraw/zinc/09/42/74/520094274.db2.gz GZZBKPZYRLXYGC-WFASDCNBSA-N 1 0 253.336 3.676 10 0 CHAERO CCCCN(CC)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052418662 520479788 /nfs/dbraw/zinc/47/97/88/520479788.db2.gz AVPMMFQKJVJGMI-UHFFFAOYSA-N 1 0 283.485 3.653 10 0 CHAERO CC1CCC([NH2+]CCO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000053569045 520952914 /nfs/dbraw/zinc/95/29/14/520952914.db2.gz GIEOUXSIFSGDFA-GYTBAZASSA-N 1 0 253.430 3.750 10 0 CHAERO CCCc1nc(N2CCCCCC2)sc1C[NH2+]C(C)C ZINC000054995619 521531446 /nfs/dbraw/zinc/53/14/46/521531446.db2.gz DMPVJHCVSUQJAT-UHFFFAOYSA-N 1 0 295.496 3.974 10 0 CHAERO C[NH2+][C@@H](Cc1csc(C)n1)c1cc(C)ccc1C ZINC000055294952 522361426 /nfs/dbraw/zinc/36/14/26/522361426.db2.gz SNLIUXIBSXDSKA-HNNXBMFYSA-N 1 0 260.406 3.572 10 0 CHAERO C[NH2+][C@@H](Cc1ccccc1F)c1ccc(F)cc1C ZINC000055226116 522362927 /nfs/dbraw/zinc/36/29/27/522362927.db2.gz WRQMVSNSXKAQLV-INIZCTEOSA-N 1 0 261.315 3.776 10 0 CHAERO CC[C@@H](C[NH2+]C(C)C)N(C)[C@@H](C)c1cccs1 ZINC000052506488 522544250 /nfs/dbraw/zinc/54/42/50/522544250.db2.gz XNTAPQSWSUVMGC-STQMWFEESA-N 1 0 254.443 3.518 10 0 CHAERO CC(C)(C)C1CCC([NH3+])(c2cncc(F)c2)CC1 ZINC000049575960 518605381 /nfs/dbraw/zinc/60/53/81/518605381.db2.gz DCEWXAYJNJWBJM-UHFFFAOYSA-N 1 0 250.361 3.611 10 0 CHAERO CC(C)(C)[NH2+]CCCCCOc1cc(F)cc(F)c1 ZINC000054934575 518756046 /nfs/dbraw/zinc/75/60/46/518756046.db2.gz DCBJZCPGHPJPKB-UHFFFAOYSA-N 1 0 271.351 3.902 10 0 CHAERO CC(C)(C)[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(F)c(F)c1 ZINC000054597200 518761670 /nfs/dbraw/zinc/76/16/70/518761670.db2.gz IXVUKJMOPVYUFO-NHYWBVRUSA-N 1 0 253.336 3.631 10 0 CHAERO CC(C)(C)[NH2+]C[C@H]1C[C@]1(C)c1ccc(F)c(F)c1 ZINC000054597197 518762105 /nfs/dbraw/zinc/76/21/05/518762105.db2.gz IXVUKJMOPVYUFO-IAQYHMDHSA-N 1 0 253.336 3.631 10 0 CHAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])c2cccnc2)cc1 ZINC000053817087 519031978 /nfs/dbraw/zinc/03/19/78/519031978.db2.gz PZCCRRGJVSWLEI-MRXNPFEDSA-N 1 0 254.377 3.622 10 0 CHAERO CC(C)(C)c1ccc(N2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053010649 519033282 /nfs/dbraw/zinc/03/32/82/519033282.db2.gz SNPMXGWPCVMCEK-AWEZNQCLSA-N 1 0 272.436 3.562 10 0 CHAERO CC(C)C[C@H]1C[NH2+]C(C)(C)CN1Cc1ccccc1Cl ZINC000062708900 519415575 /nfs/dbraw/zinc/41/55/75/519415575.db2.gz LSMZUAHTARMTHR-HNNXBMFYSA-N 1 0 294.870 3.939 10 0 CHAERO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N)c2)cc1 ZINC000193471958 519444675 /nfs/dbraw/zinc/44/46/75/519444675.db2.gz YKSOIBUFTINZCR-CQSZACIVSA-N 1 0 283.419 3.713 10 0 CHAERO CC(C)CC[NH2+]CCSc1ccc(F)c(F)c1 ZINC000053620510 519662967 /nfs/dbraw/zinc/66/29/67/519662967.db2.gz YECNZJHZUIDKGK-UHFFFAOYSA-N 1 0 259.365 3.693 10 0 CHAERO CC(C)CCOCC[NH2+]CCc1ccc(Cl)cc1 ZINC000049266005 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CC(C)[C@@H](CN(C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000049199341 519793716 /nfs/dbraw/zinc/79/37/16/519793716.db2.gz BOYISWCNYLUONP-CQSZACIVSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@@H]([NH2+]CC1(O)CCCCC1)c1cccs1 ZINC000049556127 519798919 /nfs/dbraw/zinc/79/89/19/519798919.db2.gz CUCTXLADDYRXNQ-CQSZACIVSA-N 1 0 267.438 3.730 10 0 CHAERO CC(C)[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049556103 519799613 /nfs/dbraw/zinc/79/96/13/519799613.db2.gz XGADWQQMNKMLTC-VNHYZAJKSA-N 1 0 267.438 3.728 10 0 CHAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000151673535 519813168 /nfs/dbraw/zinc/81/31/68/519813168.db2.gz HLBZYAONLODOGM-UONOGXRCSA-N 1 0 257.381 3.567 10 0 CHAERO CC(C)[C@H](C[NH2+]C(C)(C)C)O[C@H]1CCC[C@@H](C)C1 ZINC000052631559 519815873 /nfs/dbraw/zinc/81/58/73/519815873.db2.gz SGOQMRVPVZBFHO-ILXRZTDVSA-N 1 0 255.446 3.994 10 0 CHAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000049138020 519839988 /nfs/dbraw/zinc/83/99/88/519839988.db2.gz GWACWQBGTSNBMC-AWEZNQCLSA-N 1 0 256.393 3.999 10 0 CHAERO CCCC1CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000049545133 519899303 /nfs/dbraw/zinc/89/93/03/519899303.db2.gz JVSWBGLEQMDUDO-QDIHITRGSA-N 1 0 253.430 3.629 10 0 CHAERO CC[NH2+]CCCCO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000052625201 519919496 /nfs/dbraw/zinc/91/94/96/519919496.db2.gz FPZFNRUTOKMKAD-BZUAXINKSA-N 1 0 255.446 3.854 10 0 CHAERO CCC[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000050485046 519921709 /nfs/dbraw/zinc/92/17/09/519921709.db2.gz SEJFUMVWROCBAO-OAHLLOKOSA-N 1 0 267.800 3.807 10 0 CHAERO CCC[NH2+]C[C@@]1(Cc2ccc(Cl)s2)CCCOC1 ZINC000062194333 519929810 /nfs/dbraw/zinc/92/98/10/519929810.db2.gz JCVDVTSENRCKHK-AWEZNQCLSA-N 1 0 287.856 3.740 10 0 CHAERO CCC[NH2+]C[C@H](CC)N1c2ccccc2CC[C@@H]1C ZINC000052416990 519931418 /nfs/dbraw/zinc/93/14/18/519931418.db2.gz GUYYBSQVOYHBIZ-HOCLYGCPSA-N 1 0 260.425 3.606 10 0 CHAERO CC[NH2+]C[C@H](Cc1ccsc1)Cc1ccccc1F ZINC000052979217 519972856 /nfs/dbraw/zinc/97/28/56/519972856.db2.gz OAPPJMIVHFGIHG-CQSZACIVSA-N 1 0 277.408 3.898 10 0 CHAERO CCC[NH2+][C@@H](C)c1cnc(N(C)CCC(C)C)s1 ZINC000054909277 519990264 /nfs/dbraw/zinc/99/02/64/519990264.db2.gz SAOOPUVPFZUPQI-LBPRGKRZSA-N 1 0 269.458 3.686 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1ccccc1OCC ZINC000055239639 520005748 /nfs/dbraw/zinc/00/57/48/520005748.db2.gz HZGVWEKHVFHVAF-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO CC[NH2+]Cc1csc(-c2cc(Cl)ccc2F)n1 ZINC000052859452 520018034 /nfs/dbraw/zinc/01/80/34/520018034.db2.gz LLZSKTQPQIGHTC-UHFFFAOYSA-N 1 0 270.760 3.712 10 0 CHAERO CCC[NH2+][C@@H]1CCN([C@@H](c2cccs2)C(C)C)C1 ZINC000049557874 520024823 /nfs/dbraw/zinc/02/48/23/520024823.db2.gz ZXWRCYDLJHQVHB-UKRRQHHQSA-N 1 0 266.454 3.519 10 0 CHAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1n1ccnc1C ZINC000054555854 520027182 /nfs/dbraw/zinc/02/71/82/520027182.db2.gz OHQZAEZVFYMKDC-XHSDSOJGSA-N 1 0 263.429 3.557 10 0 CHAERO CCC[NH2+][C@H](Cc1ccccn1)c1ccccc1F ZINC000052898015 520087386 /nfs/dbraw/zinc/08/73/86/520087386.db2.gz FZHIPFYOPLUPRA-MRXNPFEDSA-N 1 0 258.340 3.504 10 0 CHAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@@H]1CCCCO1 ZINC000050962565 520088371 /nfs/dbraw/zinc/08/83/71/520088371.db2.gz VKGIUTWWMMMHHT-DLBZAZTESA-N 1 0 261.409 3.859 10 0 CHAERO CCC[NH2+][C@H](Cc1csc(C)n1)C1CCCCC1 ZINC000055296021 520088895 /nfs/dbraw/zinc/08/88/95/520088895.db2.gz IKQLRHNNKLSMAN-OAHLLOKOSA-N 1 0 266.454 3.943 10 0 CHAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@@H]1CCCCO1 ZINC000050962489 520089355 /nfs/dbraw/zinc/08/93/55/520089355.db2.gz LTRFYHUYCARXDZ-LSDHHAIUSA-N 1 0 269.335 3.575 10 0 CHAERO CCC[NH2+][C@H]1CCCc2nc(-c3ccoc3)sc21 ZINC000063046803 520095121 /nfs/dbraw/zinc/09/51/21/520095121.db2.gz KAZSZVSKIYGIRR-NSHDSACASA-N 1 0 262.378 3.780 10 0 CHAERO CC[NH2+][C@@H](Cc1csc(C)n1)c1ccc(C)c(C)c1 ZINC000055295847 520106626 /nfs/dbraw/zinc/10/66/26/520106626.db2.gz VWXDFZUSEJPWMJ-INIZCTEOSA-N 1 0 274.433 3.962 10 0 CHAERO CC[NH2+][C@@H](c1ccc2c(c1)CCO2)C1=CCCCC1 ZINC000050892195 520112682 /nfs/dbraw/zinc/11/26/82/520112682.db2.gz HLUYHHUGYDFVHN-QGZVFWFLSA-N 1 0 257.377 3.773 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(-c2cc(F)cc(F)c2)o1 ZINC000052924148 520176233 /nfs/dbraw/zinc/17/62/33/520176233.db2.gz MKGRSBCYQJYINK-SECBINFHSA-N 1 0 251.276 3.895 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(-n2cc(Cl)cn2)c(Cl)c1 ZINC000061698394 520176606 /nfs/dbraw/zinc/17/66/06/520176606.db2.gz HNVWEZWDFPEOPO-SECBINFHSA-N 1 0 284.190 3.850 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(-n2ccc(C(C)C)n2)cc1 ZINC000052884505 520176902 /nfs/dbraw/zinc/17/69/02/520176902.db2.gz IRJZYZIDMSWIPI-CYBMUJFWSA-N 1 0 257.381 3.666 10 0 CHAERO CCCCCN(c1ncc([C@@H](C)[NH3+])s1)C(C)C ZINC000054897773 520178224 /nfs/dbraw/zinc/17/82/24/520178224.db2.gz NMECZMNFFUTJAX-LLVKDONJSA-N 1 0 255.431 3.568 10 0 CHAERO CC[NH2+][C@H](CCc1cc(C)ccc1OC)C(C)(C)C ZINC000050705561 520195196 /nfs/dbraw/zinc/19/51/96/520195196.db2.gz VCWOGEBYBJRPDS-MRXNPFEDSA-N 1 0 263.425 3.960 10 0 CHAERO CC[NH2+][C@H](Cc1cc(C)ccc1OC)C1CCCC1 ZINC000050706875 520202035 /nfs/dbraw/zinc/20/20/35/520202035.db2.gz DWTJTKPCTHXERH-MRXNPFEDSA-N 1 0 261.409 3.714 10 0 CHAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1CCCCO1 ZINC000050962175 520208670 /nfs/dbraw/zinc/20/86/70/520208670.db2.gz CGODTPNEVOSDBJ-CABZTGNLSA-N 1 0 259.802 3.621 10 0 CHAERO CC[NH2+][C@H](c1nc(C)cs1)c1ccc(F)c(C)c1 ZINC000050559408 520211445 /nfs/dbraw/zinc/21/14/45/520211445.db2.gz YECSXMKPHYYZEU-ZDUSSCGKSA-N 1 0 264.369 3.598 10 0 CHAERO CCNc1ccc(Cl)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C)n1 ZINC000061639094 520309977 /nfs/dbraw/zinc/30/99/77/520309977.db2.gz YUVJHODTRWPSTN-RYUDHWBXSA-N 1 0 281.831 3.787 10 0 CHAERO CCCOc1cc2c(cc1OCCC)[C@H]([NH3+])CCC2 ZINC000054741830 520316072 /nfs/dbraw/zinc/31/60/72/520316072.db2.gz BPQCCSGDPXIVOY-CQSZACIVSA-N 1 0 263.381 3.600 10 0 CHAERO CCCOc1cc2c(cc1OCCC)[C@@H]([NH3+])CCC2 ZINC000054741831 520316134 /nfs/dbraw/zinc/31/61/34/520316134.db2.gz BPQCCSGDPXIVOY-AWEZNQCLSA-N 1 0 263.381 3.600 10 0 CHAERO CCCOc1ccc(O[C@H](C)C[NH2+][C@@H](C)CC)cc1 ZINC000053586228 520410620 /nfs/dbraw/zinc/41/06/20/520410620.db2.gz QOZQUIGHQFWKRA-UONOGXRCSA-N 1 0 265.397 3.631 10 0 CHAERO CCCOc1cccc([C@@H]([NH2+]C)c2cccs2)c1 ZINC000061667625 520465231 /nfs/dbraw/zinc/46/52/31/520465231.db2.gz OAVQAUYBTLBICU-OAHLLOKOSA-N 1 0 261.390 3.846 10 0 CHAERO CCCOc1cccc([C@H]([NH3+])c2nc(C)c(C)s2)c1 ZINC000052921824 520470266 /nfs/dbraw/zinc/47/02/66/520470266.db2.gz ISFLJFDFMYWUNG-AWEZNQCLSA-N 1 0 276.405 3.597 10 0 CHAERO CC1(C)CN(Cc2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000062673250 520480318 /nfs/dbraw/zinc/48/03/18/520480318.db2.gz XSSHVCIHAZSZLS-UHFFFAOYSA-N 1 0 287.234 3.567 10 0 CHAERO CCC[C@@H]([NH2+]CCc1ccncc1)c1cccs1 ZINC000049544414 520774484 /nfs/dbraw/zinc/77/44/84/520774484.db2.gz WGNNSOZVUKHPGX-CQSZACIVSA-N 1 0 260.406 3.817 10 0 CHAERO CCCC[C@H](CC)C[C@H]([NH3+])Cc1csc(C)n1 ZINC000055294772 521180646 /nfs/dbraw/zinc/18/06/46/521180646.db2.gz YBKQFCUYAZVQIY-STQMWFEESA-N 1 0 254.443 3.928 10 0 CHAERO CCOc1ccc([C@H](C[NH3+])Nc2cccc(Cl)c2)cc1 ZINC000057603887 521262699 /nfs/dbraw/zinc/26/26/99/521262699.db2.gz SGGMKFCCGYZQOP-INIZCTEOSA-N 1 0 290.794 3.851 10 0 CHAERO CCN(Cc1ccccc1)c1ccc(Cl)cc1C[NH3+] ZINC000052856636 521376065 /nfs/dbraw/zinc/37/60/65/521376065.db2.gz ZLKLAYZAHKDAFE-UHFFFAOYSA-N 1 0 274.795 3.825 10 0 CHAERO CCOc1cccc([C@@H]([NH3+])c2ccc(F)c(C)c2)c1 ZINC000055205067 521414071 /nfs/dbraw/zinc/41/40/71/521414071.db2.gz QVGSHVCKFMZQQE-MRXNPFEDSA-N 1 0 259.324 3.581 10 0 CHAERO CCC(CC)(c1ccccc1)[C@@H](CCCOC)[NH2+]C ZINC000062783907 521480010 /nfs/dbraw/zinc/48/00/10/521480010.db2.gz IIKPWFDERWKZMM-MRXNPFEDSA-N 1 0 263.425 3.759 10 0 CHAERO CCCN(C)c1nc2c(s1)[C@H]([NH2+]CC)CC(C)(C)C2 ZINC000054902278 521519349 /nfs/dbraw/zinc/51/93/49/521519349.db2.gz ODTPTFBLRNKAFJ-LLVKDONJSA-N 1 0 281.469 3.612 10 0 CHAERO CCC(CC)N(C)c1ncc(C[NH2+]CC(C)C)s1 ZINC000054904193 521544606 /nfs/dbraw/zinc/54/46/06/521544606.db2.gz XCPARECJPOYQSQ-UHFFFAOYSA-N 1 0 269.458 3.514 10 0 CHAERO CCOc1ccccc1[C@H](C)[NH2+]Cc1ccccc1OC ZINC000019903264 521584070 /nfs/dbraw/zinc/58/40/70/521584070.db2.gz 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/nfs/dbraw/zinc/03/88/95/522038895.db2.gz MFTBYFAYMDQHLB-USXIJHARSA-N 1 0 261.409 3.851 10 0 CHAERO C[NH2+]C[C@@H](O[C@H]1CCCC[C@@H]1C)c1ccccc1C ZINC000050491264 522039085 /nfs/dbraw/zinc/03/90/85/522039085.db2.gz MFTBYFAYMDQHLB-BHYGNILZSA-N 1 0 261.409 3.851 10 0 CHAERO C[NH2+]Cc1cccc(COc2cc(C)ccc2Cl)c1 ZINC000052697360 522126901 /nfs/dbraw/zinc/12/69/01/522126901.db2.gz SWYWXDZIJWRVOC-UHFFFAOYSA-N 1 0 275.779 3.947 10 0 CHAERO C[NH2+]Cc1ccccc1COc1cc(C)ccc1C ZINC000052665758 522136509 /nfs/dbraw/zinc/13/65/09/522136509.db2.gz CCJXKSCZQYWZLT-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO C[NH2+]Cc1ccoc1COc1ccc(Cl)c(Cl)c1 ZINC000052702448 522143360 /nfs/dbraw/zinc/14/33/60/522143360.db2.gz IKZWGEKFHDGLHQ-UHFFFAOYSA-N 1 0 286.158 3.885 10 0 CHAERO C[NH2+]Cc1occc1COc1ccc(Cl)cc1C ZINC000052677710 522165190 /nfs/dbraw/zinc/16/51/90/522165190.db2.gz UAMCKRNXYMGDDA-UHFFFAOYSA-N 1 0 265.740 3.540 10 0 CHAERO CC[C@H](C[NH2+]C(C)C)N(C)[C@@H](C)c1cccs1 ZINC000052506490 522190201 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10 0 CHAERO Cc1cccc(C[N@@H+]2CCCN[C@H](c3ccccc3)C2)c1 ZINC000062671251 524392097 /nfs/dbraw/zinc/39/20/97/524392097.db2.gz CLVWYSSNWQTBKU-IBGZPJMESA-N 1 0 280.415 3.532 10 0 CHAERO Cc1ccc(CN(C)c2ccc(Cl)cc2C[NH3+])cc1 ZINC000052856623 524401002 /nfs/dbraw/zinc/40/10/02/524401002.db2.gz POOYFLHRXUMHID-UHFFFAOYSA-N 1 0 274.795 3.744 10 0 CHAERO Cc1cccc(C[N@H+]2C[C@H](C(C)C)NC[C@@H]2CC(C)C)c1 ZINC000062705156 524411116 /nfs/dbraw/zinc/41/11/16/524411116.db2.gz KAZXCRWKFUCCLL-RBUKOAKNSA-N 1 0 288.479 3.840 10 0 CHAERO Cc1ccc(CN2CC(C)(C)[NH2+]Cc3ccccc32)cc1 ZINC000062671261 524434615 /nfs/dbraw/zinc/43/46/15/524434615.db2.gz OYWRJTGLKXWBSU-UHFFFAOYSA-N 1 0 280.415 3.883 10 0 CHAERO Cc1cccc(CS[C@H](c2ccncc2)[C@H](C)[NH3+])c1 ZINC000054965674 524462848 /nfs/dbraw/zinc/46/28/48/524462848.db2.gz QUNYSDBETYROIL-BBRMVZONSA-N 1 0 272.417 3.712 10 0 CHAERO Cc1cccc(N2CC[C@@H](C[NH2+]C(C)(C)C)C2)c1C ZINC000053012642 524566192 /nfs/dbraw/zinc/56/61/92/524566192.db2.gz OWRKNUUXDPKCCG-HNNXBMFYSA-N 1 0 260.425 3.518 10 0 CHAERO C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)C(C)(C)C[NH2+]1 ZINC000062673236 524618158 /nfs/dbraw/zinc/61/81/58/524618158.db2.gz ZHBOAXRWHLYBCW-JTQLQIEISA-N 1 0 287.234 3.566 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]CC2CCOCC2)c2ccccc21 ZINC000131237926 524701280 /nfs/dbraw/zinc/70/12/80/524701280.db2.gz KBBBJJPTXIWOSF-DYVFJYSZSA-N 1 0 259.393 3.641 10 0 CHAERO Cc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050940683 524742947 /nfs/dbraw/zinc/74/29/47/524742947.db2.gz SZDXWYPXBXQZNM-CYBMUJFWSA-N 1 0 280.799 3.509 10 0 CHAERO Cc1cc(C[NH2+]CCCOc2ccccc2)c(C)s1 ZINC000052092166 524756794 /nfs/dbraw/zinc/75/67/94/524756794.db2.gz CGKBRUUASWJURC-UHFFFAOYSA-N 1 0 275.417 3.924 10 0 CHAERO C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000049154434 524764602 /nfs/dbraw/zinc/76/46/02/524764602.db2.gz GRMJEEWBMYGNOM-VXGBXAGGSA-N 1 0 261.390 3.736 10 0 CHAERO Cc1cc(COc2ccc(Cl)c(Cl)c2)oc1C[NH3+] ZINC000052702552 524807931 /nfs/dbraw/zinc/80/79/31/524807931.db2.gz GJEGCNABSNRNCW-UHFFFAOYSA-N 1 0 286.158 3.933 10 0 CHAERO Cc1ccc(F)c([C@H]([NH3+])c2ccc(Cl)cc2F)c1 ZINC000062785969 524836463 /nfs/dbraw/zinc/83/64/63/524836463.db2.gz WBULUYQXMMYORB-CQSZACIVSA-N 1 0 267.706 3.975 10 0 CHAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC(C)(C)CC1 ZINC000061818313 524853241 /nfs/dbraw/zinc/85/32/41/524853241.db2.gz YOWYOVALUWOSFZ-SWLSCSKDSA-N 1 0 280.843 3.850 10 0 CHAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)c2ccsc2S1 ZINC000130598073 524925078 /nfs/dbraw/zinc/92/50/78/524925078.db2.gz WHHXHTUWPOLUNK-IMIFBBOLSA-N 1 0 297.489 3.814 10 0 CHAERO Cc1ccc(N2CC[C@@H](C[NH2+]C(C)(C)C)C2)c(Cl)c1 ZINC000053013120 524969906 /nfs/dbraw/zinc/96/99/06/524969906.db2.gz XKCWMIPFFZEVPW-ZDUSSCGKSA-N 1 0 280.843 3.863 10 0 CHAERO Cc1ccccc1CN1C[C@@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062671204 525146794 /nfs/dbraw/zinc/14/67/94/525146794.db2.gz NBICGFOCQVDOLC-VQIMIIECSA-N 1 0 280.415 3.530 10 0 CHAERO C[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000055238394 525149643 /nfs/dbraw/zinc/14/96/43/525149643.db2.gz CQMDCHNOAYMWDC-AWEZNQCLSA-N 1 0 267.706 3.840 10 0 CHAERO Cc1ccccc1COc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745891 525172366 /nfs/dbraw/zinc/17/23/66/525172366.db2.gz WYFXAZPFXIEMPB-LBPRGKRZSA-N 1 0 259.324 3.733 10 0 CHAERO COc1ccc([C@@H](C[NH2+]C(C)(C)C)OC(C)C)cc1 ZINC000050483411 525187014 /nfs/dbraw/zinc/18/70/14/525187014.db2.gz IXQGJYCGGYFNRS-OAHLLOKOSA-N 1 0 265.397 3.549 10 0 CHAERO Cc1cc([C@@H]([NH3+])C2(c3ccccc3)CC2)ccc1F ZINC000062781104 525481773 /nfs/dbraw/zinc/48/17/73/525481773.db2.gz MRFVBJJHELRVLY-MRXNPFEDSA-N 1 0 255.336 3.866 10 0 CHAERO C[C@@H]([NH2+]Cc1cc[nH]c1)c1cccc(Br)c1 ZINC000080778023 525516963 /nfs/dbraw/zinc/51/69/63/525516963.db2.gz KODLLSSUIWTYTP-SNVBAGLBSA-N 1 0 279.181 3.628 10 0 CHAERO Cc1cccnc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000071339325 525524899 /nfs/dbraw/zinc/52/48/99/525524899.db2.gz FCLGTIPUVSYPBM-LBPRGKRZSA-N 1 0 260.768 3.894 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1cccc(-n2ccnc2)c1 ZINC000151700576 525617685 /nfs/dbraw/zinc/61/76/85/525617685.db2.gz ZIRNRAPJHKYTIM-KGLIPLIRSA-N 1 0 281.359 3.877 10 0 CHAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccsc1 ZINC000050342296 525627447 /nfs/dbraw/zinc/62/74/47/525627447.db2.gz KZHQPDUUOLHGFX-FZMZJTMJSA-N 1 0 259.374 3.923 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000051769889 525633911 /nfs/dbraw/zinc/63/39/11/525633911.db2.gz KTDHDPRSFKNGIY-FZQKWOKYSA-N 1 0 288.218 3.948 10 0 CHAERO C[C@@H]1[C@@H](C)CCCN1c1cc(Br)ccc1C[NH3+] ZINC000050565992 525643725 /nfs/dbraw/zinc/64/37/25/525643725.db2.gz MITJUXMENMIJGK-WDEREUQCSA-N 1 0 297.240 3.533 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]Cc2cncc(F)c2)cc1C ZINC000275188957 525736083 /nfs/dbraw/zinc/73/60/83/525736083.db2.gz OPPVVMQYDJZVFG-CYBMUJFWSA-N 1 0 258.340 3.688 10 0 CHAERO C[C@@]([NH3+])(c1cc(F)cc(F)c1)c1ccccc1Cl ZINC000055195915 525751411 /nfs/dbraw/zinc/75/14/11/525751411.db2.gz OZIYLZWOANVMHY-CQSZACIVSA-N 1 0 267.706 3.840 10 0 CHAERO Cc1ccc([C@H](C)NC2=[NH+][C@H](CC(C)C)CS2)o1 ZINC000049221845 525914112 /nfs/dbraw/zinc/91/41/12/525914112.db2.gz CALOOQGREIPSNS-NWDGAFQWSA-N 1 0 266.410 3.756 10 0 CHAERO C[C@@H](c1nc(-c2ccsc2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000157948651 526166622 /nfs/dbraw/zinc/16/66/22/526166622.db2.gz WMRDJXZEWCGKEQ-ZWNOBZJWSA-N 1 0 285.372 3.602 10 0 CHAERO c1coc([C@@H]([NH2+]CCCOCC2CC2)c2ccccc2)c1 ZINC000020190865 526569054 /nfs/dbraw/zinc/56/90/54/526569054.db2.gz AGBZYTQHDQVHEY-SFHVURJKSA-N 1 0 285.387 3.775 10 0 CHAERO Cc1nc(-c2cccc(F)c2)sc1C[NH2+]C1CC1 ZINC000052330905 526583635 /nfs/dbraw/zinc/58/36/35/526583635.db2.gz BFTVBAPUKOWXGA-UHFFFAOYSA-N 1 0 262.353 3.510 10 0 CHAERO Cc1nocc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000293311609 526699816 /nfs/dbraw/zinc/69/98/16/526699816.db2.gz QINUPMYNAYQRFS-INIZCTEOSA-N 1 0 270.376 3.786 10 0 CHAERO NC(=[NH2+])c1ccc(Sc2ccccc2F)c(Cl)c1 ZINC000062794808 526824504 /nfs/dbraw/zinc/82/45/04/526824504.db2.gz RYYXMSJBCUMJSA-UHFFFAOYSA-N 1 0 280.755 3.914 10 0 CHAERO Cc1sc(C[C@H](C)[NH3+])nc1-c1cccc(Cl)c1 ZINC000054160958 526878126 /nfs/dbraw/zinc/87/81/26/526878126.db2.gz WBEHWPVVICPVPI-QMMMGPOBSA-N 1 0 266.797 3.662 10 0 CHAERO Cc1nc(Cc2ccc(Cl)cc2Cl)ncc1[C@@H](C)[NH3+] ZINC000054962490 526927942 /nfs/dbraw/zinc/92/79/42/526927942.db2.gz STMZYHCJFPKHFI-MRVPVSSYSA-N 1 0 296.201 3.702 10 0 CHAERO Cc1nc(N(C)[C@H](C)c2cccs2)sc1[C@@H](C)[NH3+] ZINC000054897394 526951890 /nfs/dbraw/zinc/95/18/90/526951890.db2.gz RMEFJNWGBSXTRU-PSASIEDQSA-N 1 0 281.450 3.730 10 0 CHAERO Cc1nc(N2CCCCCC2)sc1C[NH2+]CC(C)C ZINC000054995640 526964094 /nfs/dbraw/zinc/96/40/94/526964094.db2.gz SSGJZVVTLRSAON-UHFFFAOYSA-N 1 0 281.469 3.578 10 0 CHAERO [NH3+]CCCSCc1c(Cl)cccc1Cl ZINC000058250253 527181818 /nfs/dbraw/zinc/18/18/18/527181818.db2.gz JWKXVWQULGYVDU-UHFFFAOYSA-N 1 0 250.194 3.575 10 0 CHAERO [NH3+]C[C@H](Nc1ccccc1)c1c(F)cccc1Cl ZINC000057552620 527229217 /nfs/dbraw/zinc/22/92/17/527229217.db2.gz LKKPRURDFPPXKT-ZDUSSCGKSA-N 1 0 264.731 3.591 10 0 CHAERO [NH3+]Cc1c(Cl)cccc1OC1CCCCCC1 ZINC000052904872 527244084 /nfs/dbraw/zinc/24/40/84/527244084.db2.gz UTIDVYCXVPMCCJ-UHFFFAOYSA-N 1 0 253.773 3.900 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc(F)cc2F)c(Cl)c1 ZINC000062793233 527257876 /nfs/dbraw/zinc/25/78/76/527257876.db2.gz IRIZBNHHEJPIPY-UHFFFAOYSA-N 1 0 269.678 3.869 10 0 CHAERO [NH3+][C@@H](CCOc1ccc(Br)cc1)C1CCCC1 ZINC000049599788 527330968 /nfs/dbraw/zinc/33/09/68/527330968.db2.gz UQELAQPLOOSPJP-AWEZNQCLSA-N 1 0 298.224 3.736 10 0 CHAERO [NH3+][C@@H](c1cnc2ccccc2c1)c1ccccc1Cl ZINC000050438797 527339371 /nfs/dbraw/zinc/33/93/71/527339371.db2.gz HUNGRUQNYDIQPD-INIZCTEOSA-N 1 0 268.747 3.936 10 0 CHAERO [NH3+][C@@H]1CCCC[C@@H]1CCOc1ccc(Br)cc1 ZINC000049597118 527342632 /nfs/dbraw/zinc/34/26/32/527342632.db2.gz HBJGLFOCCGPTTQ-BXUZGUMPSA-N 1 0 298.224 3.736 10 0 CHAERO [NH3+][C@@H]1CCc2c1cccc2OCc1ccc(Cl)s1 ZINC000062798615 527372077 /nfs/dbraw/zinc/37/20/77/527372077.db2.gz DZYWZRBVWNUJEO-GFCCVEGCSA-N 1 0 279.792 3.927 10 0 CHAERO OCC1(C[NH+]2CCC3(CCCC3)CC2)CCCCC1 ZINC000062957446 527523166 /nfs/dbraw/zinc/52/31/66/527523166.db2.gz QMVOWUSZEXCWAP-UHFFFAOYSA-N 1 0 265.441 3.585 10 0 CHAERO FC(F)(F)c1ccccc1[C@@H]1C[C@H]1C[NH2+]C1CC1 ZINC000054595844 527687822 /nfs/dbraw/zinc/68/78/22/527687822.db2.gz KIIPRDFBYYTPLS-JOYOIKCWSA-N 1 0 255.283 3.561 10 0 CHAERO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000157690194 527693092 /nfs/dbraw/zinc/69/30/92/527693092.db2.gz UUFBALOGPHSDOD-ZDUSSCGKSA-N 1 0 279.387 3.733 10 0 CHAERO Cc1[nH+]ccc(N2CCC(C)(C)CC2)c1Br ZINC000669379678 566951341 /nfs/dbraw/zinc/95/13/41/566951341.db2.gz IXGMQMWLYXUXAO-UHFFFAOYSA-N 1 0 283.213 3.779 10 0 CHAERO COCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013722519 567867508 /nfs/dbraw/zinc/86/75/08/567867508.db2.gz HCJWNFXEAYNLDG-UHFFFAOYSA-N 1 0 279.767 3.726 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+](Cc2cc(N)ccc2Br)C1 ZINC000128345075 570369251 /nfs/dbraw/zinc/36/92/51/570369251.db2.gz CXOCMRKYCQTQCR-QWRGUYRKSA-N 1 0 297.240 3.509 10 0 CHAERO Cc1ccc([C@H](O)C[NH2+]C(C)(C)C)c2ccccc12 ZINC000399841888 566943685 /nfs/dbraw/zinc/94/36/85/566943685.db2.gz HXGDFAMFUOVVLE-MRXNPFEDSA-N 1 0 257.377 3.570 10 0 CHAERO Cc1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1)C(C)C ZINC000036104458 566993765 /nfs/dbraw/zinc/99/37/65/566993765.db2.gz AOOSALPZRPTMBN-LJQANCHMSA-N 1 0 283.415 3.939 10 0 CHAERO Cc1cccc(C[N@@H+](C[C@H](O)c2ccccc2)C(C)C)c1 ZINC000036098698 566995001 /nfs/dbraw/zinc/99/50/01/566995001.db2.gz PFHJQVHKCZMNFR-IBGZPJMESA-N 1 0 283.415 3.939 10 0 CHAERO CCOc1c(C[NH2+][C@@H](C)CC)cc(Cl)cc1OC ZINC000010474898 567861787 /nfs/dbraw/zinc/86/17/87/567861787.db2.gz DJMLUCJDZZVQKC-JTQLQIEISA-N 1 0 271.788 3.635 10 0 CHAERO CCN(CC)CC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000057353476 567895096 /nfs/dbraw/zinc/89/50/96/567895096.db2.gz KPVJWUGKRAZBIV-UHFFFAOYSA-N 1 0 287.451 3.654 10 0 CHAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@@H]1c1ccccc1Br ZINC000725254394 567913412 /nfs/dbraw/zinc/91/34/12/567913412.db2.gz NCGWVXSLJAMAQC-WFBYXXMGSA-N 1 0 280.209 3.693 10 0 CHAERO C[NH2+][C@H](CCCc1ccccc1)CN(C)Cc1ccccc1 ZINC000725255376 567915121 /nfs/dbraw/zinc/91/51/21/567915121.db2.gz ADQCVZFBXPRTHW-HXUWFJFHSA-N 1 0 296.458 3.729 10 0 CHAERO CCn1cc(C(F)F)c(-c2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000725271094 567924624 /nfs/dbraw/zinc/92/46/24/567924624.db2.gz XIAPEUVZRRCOKF-SECBINFHSA-N 1 0 265.307 3.527 10 0 CHAERO CCc1nc(C)c(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)[nH]1 ZINC000055281123 570242187 /nfs/dbraw/zinc/24/21/87/570242187.db2.gz JFPPOPGTJMUVDE-CQSZACIVSA-N 1 0 289.423 3.920 10 0 CHAERO C[C@]1([NH+]2CCC2)CC=C(c2ccccc2C=O)CC1 ZINC000725256661 570259379 /nfs/dbraw/zinc/25/93/79/570259379.db2.gz AQODQUJLISWQJV-KRWDZBQOSA-N 1 0 255.361 3.531 10 0 CHAERO C[C@@H](c1ccncn1)N(C)Cc1ccccc1C(F)(F)F ZINC000215827125 570304246 /nfs/dbraw/zinc/30/42/46/570304246.db2.gz OOZYBCIVFCJCBF-NSHDSACASA-N 1 0 295.308 3.688 10 0 CHAERO C[C@@H]1CCC[N@@H+]([C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000685960785 570406889 /nfs/dbraw/zinc/40/68/89/570406889.db2.gz CIYOGAUTLOVPJC-RHSMWYFYSA-N 1 0 296.455 3.508 10 0 CHAERO c1ccc(CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013805361 581092029 /nfs/dbraw/zinc/09/20/29/581092029.db2.gz VCHAOIYZBSFPRP-UHFFFAOYSA-N 1 0 295.426 3.946 10 0 CHAERO c1ccc(CCC[NH2+]CCCOc2ccccc2)cc1 ZINC000012355992 581092171 /nfs/dbraw/zinc/09/21/71/581092171.db2.gz AHYUXDAZVIOABZ-UHFFFAOYSA-N 1 0 269.388 3.678 10 0 CHAERO C[N+](C)(Cc1ccc(Cl)cc1F)C1CCCC1 ZINC000186999778 717157527 /nfs/dbraw/zinc/15/75/27/717157527.db2.gz PHEQVNXMHVRRKC-UHFFFAOYSA-N 1 0 256.772 3.998 10 0 CHAERO C[N+](C)(Cc1cccc(Cl)c1F)C1CCCC1 ZINC000191698645 717157576 /nfs/dbraw/zinc/15/75/76/717157576.db2.gz OVMQWFRFXBKKJO-UHFFFAOYSA-N 1 0 256.772 3.998 10 0 CHAERO CC/C=C/CC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189808466 1126934715 /nfs/dbraw/zinc/93/47/15/1126934715.db2.gz JIUNTBYYFCGCCU-NNTXTVRGSA-N 1 0 250.411 3.945 10 0 CHAERO Cc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2Cl)s1 ZINC000102773269 1122944408 /nfs/dbraw/zinc/94/44/08/1122944408.db2.gz ICULAVBEPOPWHJ-HNNXBMFYSA-N 1 0 295.835 3.875 10 0 CHAERO COc1c(C)cc(C[NH2+][C@H](C)c2cccc(O)c2)cc1C ZINC000105461042 1123052286 /nfs/dbraw/zinc/05/22/86/1123052286.db2.gz YZRIBQUZALQOCV-CQSZACIVSA-N 1 0 285.387 3.868 10 0 CHAERO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccccc1F)C1CC1 ZINC000104967783 1125456530 /nfs/dbraw/zinc/45/65/30/1125456530.db2.gz WLTPXJDQSDRYRE-QWHCGFSZSA-N 1 0 292.398 3.663 10 0 CHAERO CCC[NH2+]Cc1sc(CSCC)nc1CCC ZINC000082427777 178003730 /nfs/dbraw/zinc/00/37/30/178003730.db2.gz SXKMYTZKEHIYTM-UHFFFAOYSA-N 1 0 272.483 3.848 10 0 CHAERO CCC[NH2+]Cc1sc([C@H]2CCCO2)nc1C(C)C ZINC000082430618 178007903 /nfs/dbraw/zinc/00/79/03/178007903.db2.gz FCLPBADUWNBMIW-LLVKDONJSA-N 1 0 268.426 3.618 10 0 CHAERO c1coc(-c2nc(C3CC3)c(C[NH2+]C3CC3)s2)c1 ZINC000082436849 178014675 /nfs/dbraw/zinc/01/46/75/178014675.db2.gz ORLKWTCRQKUNPV-UHFFFAOYSA-N 1 0 260.362 3.533 10 0 CHAERO CC(C)SCc1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000082439739 178017850 /nfs/dbraw/zinc/01/78/50/178017850.db2.gz FDUVXJQCSVNXEV-UHFFFAOYSA-N 1 0 258.456 3.541 10 0 CHAERO CCC1(CC)C[C@@H]([NH2+]C)c2cc(Cl)ccc2O1 ZINC000082508396 178073919 /nfs/dbraw/zinc/07/39/19/178073919.db2.gz SXJULOPRPKPZHK-GFCCVEGCSA-N 1 0 253.773 3.942 10 0 CHAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1cccc(Cl)c1 ZINC000082660938 178147539 /nfs/dbraw/zinc/14/75/39/178147539.db2.gz MYFCWOUMODKREQ-UHFFFAOYSA-N 1 0 277.799 3.580 10 0 CHAERO COc1ccc(-c2cc([C@H](C)[NH3+])ccc2F)cc1F ZINC000082707366 178215803 /nfs/dbraw/zinc/21/58/03/178215803.db2.gz ZKURYMMVZFXRDZ-VIFPVBQESA-N 1 0 263.287 3.660 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2cccc(OC)c2)c1 ZINC000082709725 178220046 /nfs/dbraw/zinc/22/00/46/178220046.db2.gz LPXVPLNLOYMXGM-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO COc1cccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000096085715 185093821 /nfs/dbraw/zinc/09/38/21/185093821.db2.gz SQSQQSDVEKKXFD-LJQANCHMSA-N 1 0 290.366 3.679 10 0 CHAERO CCC[C@H]([NH3+])c1ccc(OCC)c(Br)c1 ZINC000083232119 178363243 /nfs/dbraw/zinc/36/32/43/178363243.db2.gz WXKRVXVTFLIRNX-NSHDSACASA-N 1 0 272.186 3.648 10 0 CHAERO C[NH2+][C@H](Cc1ccc(OC)c(C(C)(C)C)c1)C(C)C ZINC000098131060 185692100 /nfs/dbraw/zinc/69/21/00/185692100.db2.gz KTMRNQADYUSANP-OAHLLOKOSA-N 1 0 263.425 3.779 10 0 CHAERO CCCCn1c(N)c(-c2ccc(C)cc2)[nH+]c1CC ZINC000103500842 185845924 /nfs/dbraw/zinc/84/59/24/185845924.db2.gz AZUKLIWDEDUGGR-UHFFFAOYSA-N 1 0 257.381 3.803 10 0 CHAERO CCc1cc(O[C@@H](C)C[NH2+]CC(C)C)ccc1Cl ZINC000104014060 185882359 /nfs/dbraw/zinc/88/23/59/185882359.db2.gz WQAUEQZQKKSVTK-LBPRGKRZSA-N 1 0 269.816 3.915 10 0 CHAERO CCC1CCC(C[NH2+]C)(OCCCC(C)C)CC1 ZINC000103988399 185876043 /nfs/dbraw/zinc/87/60/43/185876043.db2.gz MEEPTXRKKUBCHM-UHFFFAOYSA-N 1 0 255.446 3.998 10 0 CHAERO CCC[NH2+][C@H]1CCCC[C@H]1Oc1cc(C)ccc1C ZINC000103990103 185877062 /nfs/dbraw/zinc/87/70/62/185877062.db2.gz FPFBDYWHMIDLRY-JKSUJKDBSA-N 1 0 261.409 3.993 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)s1)[C@H]1CCOc2ccccc21 ZINC000104201351 185928728 /nfs/dbraw/zinc/92/87/28/185928728.db2.gz QMNCEJPWNCYPRH-HZMBPMFUSA-N 1 0 279.792 3.968 10 0 CHAERO CCC[NH2+][C@H](Cc1cc(F)ccc1F)[C@H](C)CC ZINC000104209941 185931885 /nfs/dbraw/zinc/93/18/85/185931885.db2.gz JCECGNWOOJLIHY-IAQYHMDHSA-N 1 0 255.352 3.922 10 0 CHAERO CCC[NH2+]Cc1cc2ccccc2nc1SCC ZINC000104291864 185957084 /nfs/dbraw/zinc/95/70/84/185957084.db2.gz TVQOFIRPXBTQAG-UHFFFAOYSA-N 1 0 260.406 3.846 10 0 CHAERO FC(F)(F)CC[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000104304301 185960785 /nfs/dbraw/zinc/96/07/85/185960785.db2.gz CSQSSMDQZMLONX-LBPRGKRZSA-N 1 0 257.299 3.649 10 0 CHAERO C[C@H]1CCC[C@H](Sc2nc3sccn3c2CC[NH3+])C1 ZINC000104437498 186001458 /nfs/dbraw/zinc/00/14/58/186001458.db2.gz UDEGIUQXYBEAIO-QWRGUYRKSA-N 1 0 295.477 3.568 10 0 CHAERO CC(C)(C)OC(=O)N1CCCC2(CCCC[NH2+]C2)CCC1 ZINC000091303198 180129083 /nfs/dbraw/zinc/12/90/83/180129083.db2.gz VMTBDFCOONFJBI-UHFFFAOYSA-N 1 0 296.455 3.557 10 0 CHAERO c1ccc(C(c2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC000107272370 186164778 /nfs/dbraw/zinc/16/47/78/186164778.db2.gz BIYLRGWXQJTZML-KRWDZBQOSA-N 1 0 251.373 3.818 10 0 CHAERO CCC[n+]1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000226773919 189778259 /nfs/dbraw/zinc/77/82/59/189778259.db2.gz DEZULOHOTCOSAK-UHFFFAOYSA-N 1 0 267.352 3.809 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cc(C)ccc1C ZINC000083441687 135021407 /nfs/dbraw/zinc/02/14/07/135021407.db2.gz UWGNFEFEOCIOIN-CVEARBPZSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1cc(C)cc(C)c1 ZINC000083441679 135021413 /nfs/dbraw/zinc/02/14/13/135021413.db2.gz MDEZJVFQSVURJW-DOTOQJQBSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(C)c1C ZINC000083441701 135022091 /nfs/dbraw/zinc/02/20/91/135022091.db2.gz CQFUCXFWNSMTEN-JKSUJKDBSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@@H]1CN(c2ccc(C)cc2Cl)[C@@H](CC)C[NH2+]1 ZINC000083493760 135024662 /nfs/dbraw/zinc/02/46/62/135024662.db2.gz PIDBDTUSFSXJIN-OLZOCXBDSA-N 1 0 266.816 3.615 10 0 CHAERO CC(C)[C@H]1CN(c2ccc(C(C)(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000083541841 135028041 /nfs/dbraw/zinc/02/80/41/135028041.db2.gz QNAIXGYWPQYJCO-RHSMWYFYSA-N 1 0 274.452 3.807 10 0 CHAERO C[C@H](CCc1ccccc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000171509562 335068078 /nfs/dbraw/zinc/06/80/78/335068078.db2.gz VEXSGGHPMKNRFX-QGZVFWFLSA-N 1 0 297.446 3.616 10 0 CHAERO CC1(C)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000002039710 169770456 /nfs/dbraw/zinc/77/04/56/169770456.db2.gz GPJQPJAYHQOIJJ-UHFFFAOYSA-N 1 0 277.383 3.911 10 0 CHAERO Brc1ccc(-c2csc3[n+]2CCS3)cc1 ZINC000005945115 170160586 /nfs/dbraw/zinc/16/05/86/170160586.db2.gz LBFWUNVGAJFPEU-UHFFFAOYSA-N 1 0 299.238 3.571 10 0 CHAERO O=C(C[C@@H]1CCCCC1=[N+]1CCCC1)c1ccccc1 ZINC000006095755 170176272 /nfs/dbraw/zinc/17/62/72/170176272.db2.gz MUENABZQIOGRTA-INIZCTEOSA-N 1 0 270.396 3.697 10 0 CHAERO COc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1C ZINC000009280360 170370002 /nfs/dbraw/zinc/37/00/02/170370002.db2.gz FRSMWTWNISGSOL-OAHLLOKOSA-N 1 0 280.371 3.576 10 0 CHAERO CCc1ccc(C[C@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000011603077 170425684 /nfs/dbraw/zinc/42/56/84/170425684.db2.gz BSKWKHRLJVXIHL-KRWDZBQOSA-N 1 0 255.361 3.500 10 0 CHAERO CC(C)c1cccc(OCc2ccccc2C[NH3+])c1 ZINC000011945058 170459729 /nfs/dbraw/zinc/45/97/29/170459729.db2.gz ZBOGRBPUGDNCAG-UHFFFAOYSA-N 1 0 255.361 3.848 10 0 CHAERO CCC[NH+](CCC)C[C@H]1CCc2ccsc2C1 ZINC000013474746 170554309 /nfs/dbraw/zinc/55/43/09/170554309.db2.gz MUVLUHKHFQKISJ-ZDUSSCGKSA-N 1 0 251.439 3.975 10 0 CHAERO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000015006266 170653038 /nfs/dbraw/zinc/65/30/38/170653038.db2.gz UYXWFLLCLPBNSP-CQSZACIVSA-N 1 0 299.393 3.948 10 0 CHAERO COc1ccc(C)cc1[C@@H]([NH3+])CCc1cccs1 ZINC000016739189 170710729 /nfs/dbraw/zinc/71/07/29/170710729.db2.gz SWDQVPUOGKYHCS-AWEZNQCLSA-N 1 0 261.390 3.698 10 0 CHAERO [NH3+]Cc1cccc(COc2ccccc2C(F)(F)F)c1 ZINC000019258079 170760220 /nfs/dbraw/zinc/76/02/20/170760220.db2.gz DMJCAPLGHLSGNW-UHFFFAOYSA-N 1 0 281.277 3.743 10 0 CHAERO CC(C)c1ccccc1NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019433587 170798487 /nfs/dbraw/zinc/79/84/87/170798487.db2.gz VJBBNUZJBFEJBD-UKPHBRMFSA-N 1 0 286.419 3.669 10 0 CHAERO NC(=[NH2+])c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000019808852 170877714 /nfs/dbraw/zinc/87/77/14/170877714.db2.gz FKBPGICCPFAPTN-UHFFFAOYSA-N 1 0 295.169 3.856 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCSC1)C12CC3CC(CC(C3)C1)C2 ZINC000019901189 170913820 /nfs/dbraw/zinc/91/38/20/170913820.db2.gz LENKONXXQVUUQA-QCJFITJRSA-N 1 0 265.466 3.686 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(O)CC2)c(C)c1 ZINC000019918852 170927134 /nfs/dbraw/zinc/92/71/34/170927134.db2.gz WTHYQROUDPRVLM-QQFBHYJXSA-N 1 0 261.409 3.566 10 0 CHAERO COCCc1ccc([C@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000019970922 170954654 /nfs/dbraw/zinc/95/46/54/170954654.db2.gz CUBLXLCNPZTLBJ-SFHVURJKSA-N 1 0 269.388 3.540 10 0 CHAERO C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccncc1 ZINC000020121677 171001061 /nfs/dbraw/zinc/00/10/61/171001061.db2.gz CLEQOMWHWMJPPG-LBPRGKRZSA-N 1 0 252.317 3.679 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccncc1 ZINC000020121815 171001304 /nfs/dbraw/zinc/00/13/04/171001304.db2.gz AVJQCVKFTOTAGJ-KGLIPLIRSA-N 1 0 266.388 3.982 10 0 CHAERO C[C@H]([NH2+]CCCc1ccccc1)c1ccc(O)cc1 ZINC000020122706 171003610 /nfs/dbraw/zinc/00/36/10/171003610.db2.gz GMWOTLUOACOBFN-AWEZNQCLSA-N 1 0 255.361 3.676 10 0 CHAERO CN(C)C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000020129375 171017352 /nfs/dbraw/zinc/01/73/52/171017352.db2.gz LYZGRXOZMSWMMN-MOPGFXCFSA-N 1 0 280.415 3.566 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccs1 ZINC000020148525 171036582 /nfs/dbraw/zinc/03/65/82/171036582.db2.gz XRNQOIVNCRRYBN-WCQYABFASA-N 1 0 259.374 3.923 10 0 CHAERO C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)[C@H]1CCCO1 ZINC000020206409 171071181 /nfs/dbraw/zinc/07/11/81/171071181.db2.gz PKJBEXBXBOKRKI-FZKQIMNGSA-N 1 0 279.383 3.914 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1Br ZINC000020206731 171071593 /nfs/dbraw/zinc/07/15/93/171071593.db2.gz OOPBOOGRNSHMKO-SUNKGSAMSA-N 1 0 298.224 3.667 10 0 CHAERO CN(Cc1ccccc1Cl)[C@@H](C[NH3+])c1ccccc1F ZINC000020225606 171088271 /nfs/dbraw/zinc/08/82/71/171088271.db2.gz PBVXZNHAYXYATK-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CC[NH+](CC)CC[C@@H](N)c1ccc(Cl)cc1Cl ZINC000020274001 171130516 /nfs/dbraw/zinc/13/05/16/171130516.db2.gz BUFGQDIZIHTBSE-CYBMUJFWSA-N 1 0 275.223 3.725 10 0 CHAERO CCCC[NH+](CCCC)Cc1ccc(C(=O)OC)cc1 ZINC000020360949 171159164 /nfs/dbraw/zinc/15/91/64/171159164.db2.gz WPGBOYFEKJVTMY-UHFFFAOYSA-N 1 0 277.408 3.875 10 0 CHAERO Nc1c[nH+]ccc1NCCc1ccc(Cl)cc1Cl ZINC000020383211 171173317 /nfs/dbraw/zinc/17/33/17/171173317.db2.gz XFLOSFOMTPSQLY-UHFFFAOYSA-N 1 0 282.174 3.625 10 0 CHAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)CCC3)cc1F ZINC000020384601 171175187 /nfs/dbraw/zinc/17/51/87/171175187.db2.gz SOLFKLUBSCSJOU-KRWDZBQOSA-N 1 0 255.336 3.671 10 0 CHAERO [NH3+][C@H](Cc1ccccc1F)c1ccc2c(c1)CCC2 ZINC000020384706 171175243 /nfs/dbraw/zinc/17/52/43/171175243.db2.gz VAPQLJGFSZEFCQ-QGZVFWFLSA-N 1 0 255.336 3.557 10 0 CHAERO [NH3+][C@H](Cc1nc2ccccc2s1)CC1CCCC1 ZINC000020428253 171193253 /nfs/dbraw/zinc/19/32/53/171193253.db2.gz STWMPOPYQXHZDE-LBPRGKRZSA-N 1 0 260.406 3.746 10 0 CHAERO [NH3+][C@@H](Cc1ccccn1)c1cc(Cl)cc(Cl)c1 ZINC000020428986 171194285 /nfs/dbraw/zinc/19/42/85/171194285.db2.gz ZYXWRYVCZNUBCL-ZDUSSCGKSA-N 1 0 267.159 3.631 10 0 CHAERO COc1cccc(C[C@H]([NH3+])c2cc(C)sc2C)c1 ZINC000020431467 171196147 /nfs/dbraw/zinc/19/61/47/171196147.db2.gz VHELKIZXEYGHSE-HNNXBMFYSA-N 1 0 261.390 3.616 10 0 CHAERO COc1ccc(F)cc1[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000020470551 171212344 /nfs/dbraw/zinc/21/23/44/171212344.db2.gz LLIIWLPPLUEHSB-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO Cc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000020471402 171214102 /nfs/dbraw/zinc/21/41/02/171214102.db2.gz WKCBAFMGCNYSLM-AWEZNQCLSA-N 1 0 288.778 3.677 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)c1ccc(OC)cc1 ZINC000020484787 171224468 /nfs/dbraw/zinc/22/44/68/171224468.db2.gz SLONTFKTRYGLRJ-QGZVFWFLSA-N 1 0 278.440 3.597 10 0 CHAERO COc1ccc([C@H]([NH3+])[C@H](C)OCCCC(C)C)cc1 ZINC000020511610 171231319 /nfs/dbraw/zinc/23/13/19/171231319.db2.gz HGKNCEFRUXPELZ-XJKSGUPXSA-N 1 0 265.397 3.536 10 0 CHAERO CC(C)[NH2+]CCCOc1cc(Cl)ccc1Cl ZINC000020525060 171238050 /nfs/dbraw/zinc/23/80/50/171238050.db2.gz SREYEEVBCQUEPP-UHFFFAOYSA-N 1 0 262.180 3.760 10 0 CHAERO Cc1cccc(OC[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)c1 ZINC000020545144 171243364 /nfs/dbraw/zinc/24/33/64/171243364.db2.gz MSELAFMXKLWYLP-ZJIILYSQSA-N 1 0 285.431 3.918 10 0 CHAERO [NH2+]=C1c2ccccc2CN1Cc1ccccc1Cl ZINC000020547757 171245053 /nfs/dbraw/zinc/24/50/53/171245053.db2.gz DXTHPRONZGFXMF-UHFFFAOYSA-N 1 0 256.736 3.681 10 0 CHAERO CC(C)CO[C@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 ZINC000020547723 171245131 /nfs/dbraw/zinc/24/51/31/171245131.db2.gz VUVOOWFFPLOLMS-RTBURBONSA-N 1 0 283.415 3.970 10 0 CHAERO Cc1ccc([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)c1 ZINC000020550087 171246586 /nfs/dbraw/zinc/24/65/86/171246586.db2.gz APOPSGLGBJMPPK-YQQAZPJKSA-N 1 0 260.425 3.566 10 0 CHAERO Cc1ccc([C@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000020550084 171246774 /nfs/dbraw/zinc/24/67/74/171246774.db2.gz APOPSGLGBJMPPK-HLLBOEOZSA-N 1 0 260.425 3.566 10 0 CHAERO CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000020550305 171246934 /nfs/dbraw/zinc/24/69/34/171246934.db2.gz GDCQZOIIUMBYIG-IKGGRYGDSA-N 1 0 268.489 3.911 10 0 CHAERO Cc1ccccc1O[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020554555 171249652 /nfs/dbraw/zinc/24/96/52/171249652.db2.gz BOLBSPIRZRROMU-DZKIICNBSA-N 1 0 261.409 3.916 10 0 CHAERO CC(C)[C@@H](CN[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC000020561979 171252249 /nfs/dbraw/zinc/25/22/49/171252249.db2.gz WTOLLZFGJOHADL-SWLSCSKDSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)c1ccc(O[C@@H]2COc3ccccc3[C@H]2[NH3+])cc1 ZINC000020566882 171254647 /nfs/dbraw/zinc/25/46/47/171254647.db2.gz KCIWEMHBWKHWOO-QZTJIDSGSA-N 1 0 283.371 3.650 10 0 CHAERO CCCC[N@H+](CC)C[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000020566476 171254778 /nfs/dbraw/zinc/25/47/78/171254778.db2.gz RXJCZKZFPIWNCK-LESVLKBLSA-N 1 0 278.484 3.652 10 0 CHAERO C[C@@H]1C[C@@H](OCC[C@@H]2CCCC[NH2+]2)CC(C)(C)C1 ZINC000020593625 171262944 /nfs/dbraw/zinc/26/29/44/171262944.db2.gz WFAPNYYSKHRLIT-QLFBSQMISA-N 1 0 253.430 3.750 10 0 CHAERO Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000020595902 171264430 /nfs/dbraw/zinc/26/44/30/171264430.db2.gz PRPDWWTVAKJLKC-QGZVFWFLSA-N 1 0 284.378 3.821 10 0 CHAERO Fc1ccccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595881 171264560 /nfs/dbraw/zinc/26/45/60/171264560.db2.gz OOBZMOWFOHYWBT-HNNXBMFYSA-N 1 0 270.351 3.512 10 0 CHAERO Cc1ccc(C)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595936 171264745 /nfs/dbraw/zinc/26/47/45/171264745.db2.gz QKIZUUWOCPRWQT-GOSISDBHSA-N 1 0 280.415 3.990 10 0 CHAERO CCCOc1ccccc1C[NH2+]CCc1ccc(F)cc1 ZINC000020924500 171280122 /nfs/dbraw/zinc/28/01/22/171280122.db2.gz KOYXKUMEGJCCLP-UHFFFAOYSA-N 1 0 287.378 3.947 10 0 CHAERO CCCOc1ccc(C[NH2+]Cc2ccccn2)cc1Cl ZINC000020925696 171280502 /nfs/dbraw/zinc/28/05/02/171280502.db2.gz IEEZSBCENOJODI-UHFFFAOYSA-N 1 0 290.794 3.814 10 0 CHAERO CCc1ccc(OC[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000021009647 171286420 /nfs/dbraw/zinc/28/64/20/171286420.db2.gz QXKVTBPFMUQJMU-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO CCN(C[C@@H]([NH3+])c1ccccc1C)c1ccccc1C ZINC000021010226 171286924 /nfs/dbraw/zinc/28/69/24/171286924.db2.gz DWRMFEWTQALQAX-QGZVFWFLSA-N 1 0 268.404 3.830 10 0 CHAERO CCCC[N@H+](CC)[C@H](C(C)C)[C@@H](N)c1ccccc1 ZINC000021010986 171287369 /nfs/dbraw/zinc/28/73/69/171287369.db2.gz UXAGHQTYEAJSQE-DLBZAZTESA-N 1 0 262.441 3.833 10 0 CHAERO CCOc1ccccc1[C@H]([NH3+])COc1ccc(CC)cc1 ZINC000021014011 171288985 /nfs/dbraw/zinc/28/89/85/171288985.db2.gz GQWNBALXBGFECW-QGZVFWFLSA-N 1 0 285.387 3.727 10 0 CHAERO CCc1ccc(OC[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021013745 171288995 /nfs/dbraw/zinc/28/89/95/171288995.db2.gz PAGDGXDPBICCPB-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO [NH3+][C@H]1CCCCCCCCCC[C@H]1OC[C@@H]1CCCO1 ZINC000021018662 171290369 /nfs/dbraw/zinc/29/03/69/171290369.db2.gz YFRSUQJSDVLHCV-YESZJQIVSA-N 1 0 283.456 3.793 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@]2(CN)C[C@@H](C)CC(C)(C)C2)C1 ZINC000021027038 171291221 /nfs/dbraw/zinc/29/12/21/171291221.db2.gz ISLDIGDXLBNQAF-AIANPOQGSA-N 1 0 266.473 3.508 10 0 CHAERO CCCc1ccc([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000021027310 171291247 /nfs/dbraw/zinc/29/12/47/171291247.db2.gz BAKFSGPULGKDPP-RLFYNMQTSA-N 1 0 274.452 3.902 10 0 CHAERO CN(CCC[NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000021041381 171293332 /nfs/dbraw/zinc/29/33/32/171293332.db2.gz ICQICKQUVOMUSD-IBGZPJMESA-N 1 0 280.415 3.790 10 0 CHAERO CC(C)[C@H]([C@@H](N)c1ccccc1)[NH+]1CCCCCC1 ZINC000021044112 171293662 /nfs/dbraw/zinc/29/36/62/171293662.db2.gz NGMCYXPPPJSATD-DLBZAZTESA-N 1 0 260.425 3.587 10 0 CHAERO COc1ccc(C[NH2+]C2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000021042646 171293897 /nfs/dbraw/zinc/29/38/97/171293897.db2.gz RISZYDOSCUZGMA-MPYYAJLASA-N 1 0 277.408 3.618 10 0 CHAERO Cc1cccc(O[C@H](C)[C@@H]([NH3+])c2ccccc2)c1C ZINC000021057035 171296105 /nfs/dbraw/zinc/29/61/05/171296105.db2.gz DCUAHRWOTCUZKU-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO [NH2+]=C1c2ccccc2CN1C12CC3CC(CC(C3)C1)C2 ZINC000021500849 171305456 /nfs/dbraw/zinc/30/54/56/171305456.db2.gz QLPFIFAVTNHDOB-UHFFFAOYSA-N 1 0 266.388 3.796 10 0 CHAERO Cc1ccc([C@H]([NH3+])CO[C@H]2CCCC[C@@H]2C)cc1C ZINC000021501900 171305718 /nfs/dbraw/zinc/30/57/18/171305718.db2.gz DYDAUAZJBUDHRZ-XKQJLSEDSA-N 1 0 261.409 3.899 10 0 CHAERO CCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000021502208 171306013 /nfs/dbraw/zinc/30/60/13/171306013.db2.gz YNFIUYUDQLVBNL-WBVHZDCISA-N 1 0 262.441 3.848 10 0 CHAERO CC(C)(C)c1ccc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000021504121 171306769 /nfs/dbraw/zinc/30/67/69/171306769.db2.gz BVTRZYUXHYGDRH-ROUUACIJSA-N 1 0 281.399 3.988 10 0 CHAERO [NH3+][C@@H]1c2ccccc2C[C@@H]1Oc1ccc2ccccc2c1 ZINC000021504336 171307187 /nfs/dbraw/zinc/30/71/87/171307187.db2.gz MYOGJYIDFZJMAS-RBUKOAKNSA-N 1 0 275.351 3.843 10 0 CHAERO CC(C)[N@H+](C)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000021506292 171308171 /nfs/dbraw/zinc/30/81/71/171308171.db2.gz MPESZTSTNVOYIF-HOTGVXAUSA-N 1 0 254.462 3.937 10 0 CHAERO Cc1ccc(O[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1C ZINC000021507883 171308733 /nfs/dbraw/zinc/30/87/33/171308733.db2.gz ZYGLRYVDYMBSDX-WMLDXEAASA-N 1 0 255.361 3.771 10 0 CHAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc(F)cc2)C1 ZINC000021508575 171308949 /nfs/dbraw/zinc/30/89/49/171308949.db2.gz ZVOUPCNFVGHQNR-DFBGVHRSSA-N 1 0 265.372 3.747 10 0 CHAERO Cc1ccc(OC[C@@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000021516796 171313191 /nfs/dbraw/zinc/31/31/91/171313191.db2.gz UVJOONXZCRBCIN-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)c1ccc(O[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000021792068 171324214 /nfs/dbraw/zinc/32/42/14/171324214.db2.gz FIUDKLHLSBFSBL-QZTJIDSGSA-N 1 0 267.372 3.814 10 0 CHAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc3ccccc3c2)C1 ZINC000021804903 171327184 /nfs/dbraw/zinc/32/71/84/171327184.db2.gz NDHGGXLDXMSSOW-JLZZUVOBSA-N 1 0 255.361 3.735 10 0 CHAERO Cc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)N(C)C)c(C)s1 ZINC000021809144 171328610 /nfs/dbraw/zinc/32/86/10/171328610.db2.gz WAOLXFDUXPAZQC-IUODEOHRSA-N 1 0 268.470 3.602 10 0 CHAERO CC(C)[C@@H](CNCc1c(Cl)cccc1Cl)[NH+](C)C ZINC000021810869 171328994 /nfs/dbraw/zinc/32/89/94/171328994.db2.gz RSXFOXJOWSDUFL-CQSZACIVSA-N 1 0 289.250 3.669 10 0 CHAERO Cc1cc(C)c([C@@H]([NH3+])Cc2ccccc2F)c(C)c1 ZINC000021813594 171330972 /nfs/dbraw/zinc/33/09/72/171330972.db2.gz UKDAJDHZKLLNMC-INIZCTEOSA-N 1 0 257.352 3.993 10 0 CHAERO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000021814092 171331231 /nfs/dbraw/zinc/33/12/31/171331231.db2.gz PKVZVKVBJXFHAB-YJBOKZPZSA-N 1 0 274.452 3.945 10 0 CHAERO Cc1cc(C)c([C@H]([NH3+])COC2CCCCC2)c(C)c1 ZINC000021815759 171332068 /nfs/dbraw/zinc/33/20/68/171332068.db2.gz GHFUILDJKGTKTE-MRXNPFEDSA-N 1 0 261.409 3.961 10 0 CHAERO c1ccc2c(c1)OCC[C@H]2[NH2+]CCC1=CCCCC1 ZINC000021815177 171332223 /nfs/dbraw/zinc/33/22/23/171332223.db2.gz QJSZLHPJYKRGQY-MRXNPFEDSA-N 1 0 257.377 3.990 10 0 CHAERO CC[C@H](CO)[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000021815949 171332532 /nfs/dbraw/zinc/33/25/32/171332532.db2.gz KMRYHNXDABBREG-IAGOWNOFSA-N 1 0 261.409 3.669 10 0 CHAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCCC[NH2+]1 ZINC000022015225 171349849 /nfs/dbraw/zinc/34/98/49/171349849.db2.gz DRQZNYLBSJTDDD-CYBMUJFWSA-N 1 0 276.380 3.848 10 0 CHAERO C[C@H]1CCCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000022149373 171357991 /nfs/dbraw/zinc/35/79/91/171357991.db2.gz KOICOJOUPQQHKT-HOCLYGCPSA-N 1 0 253.430 3.894 10 0 CHAERO CC(C)c1cccc(O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000022151006 171358571 /nfs/dbraw/zinc/35/85/71/171358571.db2.gz JWEIKAWHBVPCMV-MSOLQXFVSA-N 1 0 267.372 3.814 10 0 CHAERO C[C@@H]([NH3+])c1ccccc1NC(=O)CCC1CCCC1 ZINC000022213263 171374166 /nfs/dbraw/zinc/37/41/66/171374166.db2.gz HEGAORPHZUKDAI-GFCCVEGCSA-N 1 0 260.381 3.615 10 0 CHAERO Cc1cccc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)c1C ZINC000022215790 171375450 /nfs/dbraw/zinc/37/54/50/171375450.db2.gz PYZWMCWHYMUXEP-ZDUSSCGKSA-N 1 0 268.360 3.575 10 0 CHAERO CC[C@@H](C)c1ccccc1Oc1ccc(C[NH3+])cn1 ZINC000022218519 171376703 /nfs/dbraw/zinc/37/67/03/171376703.db2.gz IAMWYKYULQCISW-GFCCVEGCSA-N 1 0 256.349 3.846 10 0 CHAERO Cc1cc(C)cc(C(=O)Nc2ccccc2[C@H](C)[NH3+])c1 ZINC000022222061 171378884 /nfs/dbraw/zinc/37/88/84/171378884.db2.gz NTTYAPHPQQRDPL-ZDUSSCGKSA-N 1 0 268.360 3.575 10 0 CHAERO CC(C)[C@@H](Oc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000022565849 171392033 /nfs/dbraw/zinc/39/20/33/171392033.db2.gz XHRJPHQQJCFCDK-IAGOWNOFSA-N 1 0 255.361 3.790 10 0 CHAERO [NH2+]=C(Cc1ccc2ccccc2c1)N1CCCCC1 ZINC000029413356 171598070 /nfs/dbraw/zinc/59/80/70/171598070.db2.gz ATJGMDUFCDAEKP-UHFFFAOYSA-N 1 0 252.361 3.845 10 0 CHAERO Cc1ccc(Oc2ccc(C[C@H](C)[NH3+])cc2)cc1C ZINC000032108836 171700913 /nfs/dbraw/zinc/70/09/13/171700913.db2.gz KNZYPYHMVSWLPH-AWEZNQCLSA-N 1 0 255.361 3.985 10 0 CHAERO Cc1ccc([C@H](C[NH3+])Oc2ccc(F)cc2Cl)cc1 ZINC000032126342 171713260 /nfs/dbraw/zinc/71/32/60/171713260.db2.gz SIMGDOFRTPFYAB-HNNXBMFYSA-N 1 0 279.742 3.866 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2cc(F)ccc2F)s1 ZINC000034673520 171858809 /nfs/dbraw/zinc/85/88/09/171858809.db2.gz XATCRACZYVFAPP-MRVPVSSYSA-N 1 0 253.317 3.974 10 0 CHAERO CC1CCC(Oc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000034833011 171881412 /nfs/dbraw/zinc/88/14/12/171881412.db2.gz ASPZFRPILWTNDJ-UHFFFAOYSA-N 1 0 259.393 3.896 10 0 CHAERO CCCCOCCOc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000034844718 171887020 /nfs/dbraw/zinc/88/70/20/171887020.db2.gz QPXCCVMHBGAEDG-CQSZACIVSA-N 1 0 265.397 3.553 10 0 CHAERO CC(C)[NH+]1CCC(Nc2cc(Cl)ccc2F)CC1 ZINC000035056713 171959958 /nfs/dbraw/zinc/95/99/58/171959958.db2.gz FDONJKYLYTUDPQ-UHFFFAOYSA-N 1 0 270.779 3.764 10 0 CHAERO Fc1cccc(CC[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000035143021 172010120 /nfs/dbraw/zinc/01/01/20/172010120.db2.gz RZFCPYOQXJFWGY-UHFFFAOYSA-N 1 0 280.346 3.706 10 0 CHAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1CCCCCC1 ZINC000035159904 172018122 /nfs/dbraw/zinc/01/81/22/172018122.db2.gz FHGBEBZIMFMGLB-UHFFFAOYSA-N 1 0 294.826 3.899 10 0 CHAERO COc1ccc(C)cc1C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000035161917 172022133 /nfs/dbraw/zinc/02/21/33/172022133.db2.gz IGMUAIRDQOQVEU-YCPHGPKFSA-N 1 0 261.409 3.918 10 0 CHAERO CC(C)CC[NH2+][C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000035273311 172093607 /nfs/dbraw/zinc/09/36/07/172093607.db2.gz PHGUGSURDUJMJP-RYUDHWBXSA-N 1 0 267.335 3.512 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000035286352 172104587 /nfs/dbraw/zinc/10/45/87/172104587.db2.gz CUEXPFRCJCIZFS-UTLUCORTSA-N 1 0 259.802 3.620 10 0 CHAERO C[C@@H](NC1=[NH+]C[C@@H](C)S1)C12CC3CC(CC(C3)C1)C2 ZINC000035294344 172105954 /nfs/dbraw/zinc/10/59/54/172105954.db2.gz IQLZPKMURIDLPX-YIZLIVJESA-N 1 0 278.465 3.672 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccsc2)c2ccccc12 ZINC000035381788 172164438 /nfs/dbraw/zinc/16/44/38/172164438.db2.gz VZHZZCHLOIHYHN-MRXNPFEDSA-N 1 0 269.369 3.958 10 0 CHAERO Cc1occc1[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035382396 172165203 /nfs/dbraw/zinc/16/52/03/172165203.db2.gz PTZVQBWXDZYZAO-LBPRGKRZSA-N 1 0 256.132 3.943 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cccc(Cl)c2)cc1F ZINC000035424305 172192348 /nfs/dbraw/zinc/19/23/48/172192348.db2.gz JRRLUXHQTJAREG-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2Cl)cc1F ZINC000035424642 172193305 /nfs/dbraw/zinc/19/33/05/172193305.db2.gz MEIQVAZESHOXOK-AWEZNQCLSA-N 1 0 279.742 3.730 10 0 CHAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc(OC)c(Br)c1 ZINC000035455460 172206696 /nfs/dbraw/zinc/20/66/96/172206696.db2.gz YKMBIZJRBOEPOL-ZANVPECISA-N 1 0 286.213 3.764 10 0 CHAERO CCCC[C@@H]([NH2+]C)c1cc(Br)ccc1OC ZINC000035456097 172206934 /nfs/dbraw/zinc/20/69/34/172206934.db2.gz FKESHYRZYFKOOL-GFCCVEGCSA-N 1 0 286.213 3.908 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1cncc(Br)c1 ZINC000035458866 172208595 /nfs/dbraw/zinc/20/85/95/172208595.db2.gz WASCURKXVKDMTR-LBPRGKRZSA-N 1 0 297.221 3.523 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc2c(c1)CCCC2 ZINC000035459949 172209171 /nfs/dbraw/zinc/20/91/71/172209171.db2.gz LKGWEIFIQFDVEB-QGZVFWFLSA-N 1 0 255.361 3.776 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2ccccc2OC)s1 ZINC000035461030 172210091 /nfs/dbraw/zinc/21/00/91/172210091.db2.gz YNSOFOJYMYCEAC-OAHLLOKOSA-N 1 0 261.390 3.628 10 0 CHAERO C[NH2+][C@H](c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000035467776 172216249 /nfs/dbraw/zinc/21/62/49/172216249.db2.gz YIUZDOWDFPGYGK-MRXNPFEDSA-N 1 0 273.763 3.584 10 0 CHAERO C[NH2+][C@H](CC1CCCCC1)c1ccc2c(c1)CCO2 ZINC000035467810 172216324 /nfs/dbraw/zinc/21/63/24/172216324.db2.gz IGHPZPHEAVFZPH-MRXNPFEDSA-N 1 0 259.393 3.852 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1ccc(Br)s1 ZINC000035487839 172223256 /nfs/dbraw/zinc/22/32/56/172223256.db2.gz UHQDETSLSDYDPJ-JTQLQIEISA-N 1 0 288.235 3.881 10 0 CHAERO C[NH2+][C@@H](c1sccc1C)c1ccc(F)c(F)c1 ZINC000035494139 172227604 /nfs/dbraw/zinc/22/76/04/172227604.db2.gz ZDUTUVCVAGJHDZ-GFCCVEGCSA-N 1 0 253.317 3.644 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1OC ZINC000035510295 172241799 /nfs/dbraw/zinc/24/17/99/172241799.db2.gz PCYHPICMZABWOL-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(OC)c(Cl)c1 ZINC000035538240 172244975 /nfs/dbraw/zinc/24/49/75/172244975.db2.gz YTWWJMPRPIBTFU-OAHLLOKOSA-N 1 0 279.767 3.949 10 0 CHAERO CC[NH2+][C@H](c1cc2c(s1)CCC2)c1ccccc1 ZINC000035540439 172246795 /nfs/dbraw/zinc/24/67/95/172246795.db2.gz SISKDTQJAPPWSS-INIZCTEOSA-N 1 0 257.402 3.936 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)cc1)c1cccc(F)c1 ZINC000035540863 172247692 /nfs/dbraw/zinc/24/76/92/172247692.db2.gz NSVFQCLOCSLWQP-MRXNPFEDSA-N 1 0 259.324 3.533 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc(OCC)cc1 ZINC000035541213 172248644 /nfs/dbraw/zinc/24/86/44/172248644.db2.gz SMTFREGIYLGQTA-HNNXBMFYSA-N 1 0 261.390 3.846 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc(OCC)cc1 ZINC000035541214 172249055 /nfs/dbraw/zinc/24/90/55/172249055.db2.gz SMTFREGIYLGQTA-OAHLLOKOSA-N 1 0 261.390 3.846 10 0 CHAERO CC[NH2+][C@H](c1cccs1)c1ccc(F)cc1F ZINC000035545531 172253376 /nfs/dbraw/zinc/25/33/76/172253376.db2.gz VOYQSKJVSLCEBP-ZDUSSCGKSA-N 1 0 253.317 3.725 10 0 CHAERO CCCCC[C@H]([NH2+]CC)c1ccc(OC)cc1OC ZINC000035546028 172254471 /nfs/dbraw/zinc/25/44/71/172254471.db2.gz LUIOVXNXQCELRP-HNNXBMFYSA-N 1 0 265.397 3.935 10 0 CHAERO CC[NH2+][C@H](CC(C)(C)C)c1cc(F)ccc1OC ZINC000035554602 172260883 /nfs/dbraw/zinc/26/08/83/172260883.db2.gz KYCHDLPZUKEGJI-CYBMUJFWSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@H](c1cc(Br)ccc1OCC)C1CC1 ZINC000035571242 172267027 /nfs/dbraw/zinc/26/70/27/172267027.db2.gz FDGGVRSZJNWORW-AWEZNQCLSA-N 1 0 298.224 3.908 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(F)c1)C1CCCC1 ZINC000035572387 172268856 /nfs/dbraw/zinc/26/88/56/172268856.db2.gz WLOGCQPUGUQRFK-OAHLLOKOSA-N 1 0 251.345 3.675 10 0 CHAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000035575395 172271958 /nfs/dbraw/zinc/27/19/58/172271958.db2.gz VOLQSZLPQUQUDE-UONOGXRCSA-N 1 0 253.773 3.560 10 0 CHAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(OC)cc1 ZINC000035576230 172272616 /nfs/dbraw/zinc/27/26/16/172272616.db2.gz FBUBYEKWMICRIB-INIZCTEOSA-N 1 0 259.349 3.686 10 0 CHAERO CCC[NH2+][C@H](c1ccco1)c1ccc(F)c(F)c1 ZINC000035582350 172280087 /nfs/dbraw/zinc/28/00/87/172280087.db2.gz XMXPQCAKMXOEOJ-AWEZNQCLSA-N 1 0 251.276 3.647 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(CCC)cc1)[C@@H]1CCCO1 ZINC000035582862 172281176 /nfs/dbraw/zinc/28/11/76/172281176.db2.gz RBPKAHWOCXHYRX-IRXDYDNUSA-N 1 0 261.409 3.859 10 0 CHAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccncc1 ZINC000035583566 172281724 /nfs/dbraw/zinc/28/17/24/172281724.db2.gz LDYOEYFSISCPPL-ZDUSSCGKSA-N 1 0 266.797 3.886 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccncc1 ZINC000035583567 172281882 /nfs/dbraw/zinc/28/18/82/172281882.db2.gz LDYOEYFSISCPPL-CYBMUJFWSA-N 1 0 266.797 3.886 10 0 CHAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)C1CCC1 ZINC000035583946 172282754 /nfs/dbraw/zinc/28/27/54/172282754.db2.gz WMQIJRYHQDKVQD-OAHLLOKOSA-N 1 0 251.345 3.675 10 0 CHAERO Cc1ccc(OCc2ccc(F)cc2)c([C@@H](C)[NH3+])c1 ZINC000035629446 172309487 /nfs/dbraw/zinc/30/94/87/172309487.db2.gz FCZMYYHVQZFDCS-GFCCVEGCSA-N 1 0 259.324 3.733 10 0 CHAERO CCC[NH2+][C@H](C)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000035635483 172321019 /nfs/dbraw/zinc/32/10/19/172321019.db2.gz AMCLIGDMHRJMIL-GFCCVEGCSA-N 1 0 262.397 3.732 10 0 CHAERO CCCOc1cccc2c1OCCC[C@@H]2[NH2+]C(C)C ZINC000035655205 172331610 /nfs/dbraw/zinc/33/16/10/172331610.db2.gz BPEZLOFTCSRLLS-AWEZNQCLSA-N 1 0 263.381 3.687 10 0 CHAERO [NH3+]Cc1ccc(Oc2ccc(Cl)cc2Cl)nc1 ZINC000035719827 172373971 /nfs/dbraw/zinc/37/39/71/172373971.db2.gz ZNBTXEDQPFMFQV-UHFFFAOYSA-N 1 0 269.131 3.639 10 0 CHAERO [NH3+]Cc1cccnc1Sc1cc(Cl)ccc1Cl ZINC000035720054 172374909 /nfs/dbraw/zinc/37/49/09/172374909.db2.gz KAKAILFIKHJVJJ-UHFFFAOYSA-N 1 0 285.199 3.998 10 0 CHAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccc(F)cc2F)C1 ZINC000035722031 172377359 /nfs/dbraw/zinc/37/73/59/172377359.db2.gz DOZAITXWSCHTCA-ISTVAULSSA-N 1 0 271.376 3.820 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1ccc(F)cc1F ZINC000035722035 172377659 /nfs/dbraw/zinc/37/76/59/172377659.db2.gz VROIHSOWZZKCGL-GXFFZTMASA-N 1 0 271.376 3.965 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000035738583 172391498 /nfs/dbraw/zinc/39/14/98/172391498.db2.gz UHKDNLNRRTVVGX-UONOGXRCSA-N 1 0 281.359 3.877 10 0 CHAERO CCC[NH2+][C@H]1C[C@H](C)Oc2ccc(Br)cc21 ZINC000035751471 172396396 /nfs/dbraw/zinc/39/63/96/172396396.db2.gz MYNVDIAFAAVDNY-CABZTGNLSA-N 1 0 284.197 3.661 10 0 CHAERO CCC[C@H](C)[C@H]([NH3+])c1cc(OC)c(OC)cc1Cl ZINC000036926200 172808965 /nfs/dbraw/zinc/80/89/65/172808965.db2.gz JIWWOEULNNOSKQ-XPTSAGLGSA-N 1 0 271.788 3.793 10 0 CHAERO CC[C@@H](C)C[N@H+](C)C1(CN)CCC(C(C)(C)C)CC1 ZINC000037172718 173007167 /nfs/dbraw/zinc/00/71/67/173007167.db2.gz ASPPGBDOVGVFDC-HPUBIQBYSA-N 1 0 268.489 3.898 10 0 CHAERO CC[C@@H](C)c1ccccc1O[C@H](CC[NH3+])C(F)(F)F ZINC000037179258 173012941 /nfs/dbraw/zinc/01/29/41/173012941.db2.gz FODKJZIXYQRHHE-ZWNOBZJWSA-N 1 0 275.314 3.859 10 0 CHAERO CC(C)c1cccc(N[C@H](C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000037221056 173040465 /nfs/dbraw/zinc/04/04/65/173040465.db2.gz AEKKEOPWAKARAO-ZBFHGGJFSA-N 1 0 260.425 3.952 10 0 CHAERO CCc1ccc([C@@H]([NH3+])[C@H](C)Oc2ccccc2)cc1 ZINC000037224102 173044642 /nfs/dbraw/zinc/04/46/42/173044642.db2.gz SUEJYFNGOXOYEV-GUYCJALGSA-N 1 0 255.361 3.716 10 0 CHAERO CCC[NH2+]Cc1cc(F)ccc1N(CCC)C1CC1 ZINC000037236658 173054206 /nfs/dbraw/zinc/05/42/06/173054206.db2.gz GWRPKHYUOMFNAC-UHFFFAOYSA-N 1 0 264.388 3.704 10 0 CHAERO CCC[NH2+]Cc1cc(F)ccc1N(CC)[C@@H](C)CC ZINC000037236734 173054646 /nfs/dbraw/zinc/05/46/46/173054646.db2.gz VDOMLEGTWSGOBI-ZDUSSCGKSA-N 1 0 266.404 3.950 10 0 CHAERO C[NH2+]Cc1cc(F)ccc1Oc1ccc(C)c(C)c1 ZINC000037237706 173054944 /nfs/dbraw/zinc/05/49/44/173054944.db2.gz QXCZXBWYQMHJNE-UHFFFAOYSA-N 1 0 259.324 3.954 10 0 CHAERO CC(C)C[C@@H](C)[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000037255451 173066287 /nfs/dbraw/zinc/06/62/87/173066287.db2.gz DXZSQLLWBUSPNU-OCCSQVGLSA-N 1 0 277.437 3.595 10 0 CHAERO COc1cc(Cl)c([C@H]([NH3+])C2CCCCC2)cc1OC ZINC000037332644 173133680 /nfs/dbraw/zinc/13/36/80/173133680.db2.gz SOZKIQPHUJJAPH-OAHLLOKOSA-N 1 0 283.799 3.937 10 0 CHAERO CCC[NH+](CCC)[C@H](C)C(=O)c1ccc(F)cc1F ZINC000037333113 173134645 /nfs/dbraw/zinc/13/46/45/173134645.db2.gz UNUGPVWKEDNMLC-LLVKDONJSA-N 1 0 269.335 3.658 10 0 CHAERO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)c2ccc(C)cc2)C1 ZINC000037339603 173139777 /nfs/dbraw/zinc/13/97/77/173139777.db2.gz MPQSMNOPTBETQA-LSDHHAIUSA-N 1 0 259.393 3.688 10 0 CHAERO [NH3+][C@H](c1ccc2c(c1)CCCC(=O)N2)C1CCCCC1 ZINC000037371253 173160314 /nfs/dbraw/zinc/16/03/14/173160314.db2.gz GCKUIUUJDIKKMM-KRWDZBQOSA-N 1 0 272.392 3.542 10 0 CHAERO CC[C@@H](C)c1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000037413370 173190036 /nfs/dbraw/zinc/19/00/36/173190036.db2.gz WOLVWZMMSQAXPR-DYVFJYSZSA-N 1 0 258.409 3.706 10 0 CHAERO CC(C)(C)c1cccc(Oc2ccc(C[NH3+])cn2)c1 ZINC000037428774 173199455 /nfs/dbraw/zinc/19/94/55/173199455.db2.gz TZTOHMYALASDMW-UHFFFAOYSA-N 1 0 256.349 3.630 10 0 CHAERO CCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1CCC ZINC000037440538 173210633 /nfs/dbraw/zinc/21/06/33/173210633.db2.gz QJBZKNNVAHMGPV-NSHDSACASA-N 1 0 265.788 3.900 10 0 CHAERO CC[C@@H]([NH3+])c1nc2cc(Br)ccc2n1C(C)C ZINC000037441741 173211186 /nfs/dbraw/zinc/21/11/86/173211186.db2.gz YMIFBTPJYCFSBW-SNVBAGLBSA-N 1 0 296.212 3.790 10 0 CHAERO CCC[C@@H]([NH3+])c1nc2cc(Br)ccc2n1CC ZINC000037441489 173211420 /nfs/dbraw/zinc/21/14/20/173211420.db2.gz LCXZBSFLJGADON-SNVBAGLBSA-N 1 0 296.212 3.619 10 0 CHAERO Cc1cccc([C@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000037529732 173252785 /nfs/dbraw/zinc/25/27/85/173252785.db2.gz MCUFOUXTOTWXJK-OAHLLOKOSA-N 1 0 290.204 3.980 10 0 CHAERO CC[C@@H](C)c1ccc([C@H]([NH3+])CCCC(=O)OC)cc1 ZINC000037636233 173584352 /nfs/dbraw/zinc/58/43/52/173584352.db2.gz DDVLDYAZYAUFIF-IUODEOHRSA-N 1 0 263.381 3.543 10 0 CHAERO [NH3+]CCc1cc(Cl)cc(Cl)c1OC1CCCC1 ZINC000037722070 173640387 /nfs/dbraw/zinc/64/03/87/173640387.db2.gz HZJJLESHZPNGBM-UHFFFAOYSA-N 1 0 274.191 3.816 10 0 CHAERO CCCCCCOc1cc(C[C@@H](C)[NH3+])ccc1OC ZINC000037728028 173647303 /nfs/dbraw/zinc/64/73/03/173647303.db2.gz KMZYZPFLVIZOJK-CYBMUJFWSA-N 1 0 265.397 3.544 10 0 CHAERO c1csc(C[C@@H]([NH2+]C[C@H]2CCOC2)c2cccs2)c1 ZINC000037739025 173659344 /nfs/dbraw/zinc/65/93/44/173659344.db2.gz JOPUQQRQBSETLO-TZMCWYRMSA-N 1 0 293.457 3.720 10 0 CHAERO CC[NH2+][C@H](c1c(F)cc(OC)cc1F)C(C)(C)C ZINC000037998964 173960972 /nfs/dbraw/zinc/96/09/72/173960972.db2.gz PHUINAALDULWGJ-CYBMUJFWSA-N 1 0 257.324 3.670 10 0 CHAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1Cl ZINC000038009250 173974257 /nfs/dbraw/zinc/97/42/57/173974257.db2.gz KQVDLPGFXZQGSL-GXTWGEPZSA-N 1 0 287.790 3.994 10 0 CHAERO CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(C)cc1 ZINC000038028581 174017582 /nfs/dbraw/zinc/01/75/82/174017582.db2.gz BONNGBQGSFDZFZ-FUHWJXTLSA-N 1 0 274.452 3.910 10 0 CHAERO Cc1cc([C@@H](C)[N@@H+]2CCc3c(N)cccc3C2)c(C)o1 ZINC000038032537 174028571 /nfs/dbraw/zinc/02/85/71/174028571.db2.gz VUMLLMBQRORHQW-GFCCVEGCSA-N 1 0 270.376 3.598 10 0 CHAERO Nc1cccc2c1CC[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000038032684 174029123 /nfs/dbraw/zinc/02/91/23/174029123.db2.gz DHRJWKQJXXCEMQ-IBGZPJMESA-N 1 0 278.399 3.705 10 0 CHAERO CCn1c2ccc(F)cc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036797 174036006 /nfs/dbraw/zinc/03/60/06/174036006.db2.gz KADFCJTYCVZBFY-HNNXBMFYSA-N 1 0 275.371 3.775 10 0 CHAERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000038050615 174062387 /nfs/dbraw/zinc/06/23/87/174062387.db2.gz FLFRSWXQLFLIPI-JSGCOSHPSA-N 1 0 275.783 3.570 10 0 CHAERO CC[C@@H]([NH3+])c1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000038070089 174080849 /nfs/dbraw/zinc/08/08/49/174080849.db2.gz NTSKBTKHDGPRHN-QGZVFWFLSA-N 1 0 254.377 3.829 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000038070101 174081014 /nfs/dbraw/zinc/08/10/14/174081014.db2.gz ANWFRGCMVHKQDC-ZDUSSCGKSA-N 1 0 254.377 3.700 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1ccc(OCC)cc1 ZINC000038070379 174081460 /nfs/dbraw/zinc/08/14/60/174081460.db2.gz ZIZIKPLHLCEDHA-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO COc1cccc(-c2ccccc2C[NH2+]C2CC2)c1 ZINC000038071478 174081935 /nfs/dbraw/zinc/08/19/35/174081935.db2.gz YDEUUZAOMLVXTO-UHFFFAOYSA-N 1 0 253.345 3.614 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc(F)cc2F)cc1F ZINC000038072378 174082966 /nfs/dbraw/zinc/08/29/66/174082966.db2.gz XBRKIIRCMYXBCV-UHFFFAOYSA-N 1 0 265.278 3.880 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2cc(F)ccc2OC)c1 ZINC000038073395 174083249 /nfs/dbraw/zinc/08/32/49/174083249.db2.gz AHOKUZJOTIKNFH-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO C[NH2+]Cc1cc(-c2ccc(OC)c(Cl)c2)ccc1F ZINC000038073295 174083342 /nfs/dbraw/zinc/08/33/42/174083342.db2.gz VRYCQFFZIQBSPJ-UHFFFAOYSA-N 1 0 279.742 3.874 10 0 CHAERO CC[C@@H]([NH3+])c1cccc(-c2cc(F)ccc2OC)c1 ZINC000038073381 174083387 /nfs/dbraw/zinc/08/33/87/174083387.db2.gz MTFFEGYBGDAZIW-OAHLLOKOSA-N 1 0 259.324 3.911 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2cnn(-c3ccccc3)c2)c1 ZINC000038073245 174083510 /nfs/dbraw/zinc/08/35/10/174083510.db2.gz YDNSMRZAGINPSJ-AWEZNQCLSA-N 1 0 277.371 3.820 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(OC)cc2C)cc1 ZINC000038072692 174083524 /nfs/dbraw/zinc/08/35/24/174083524.db2.gz YJVAUUQEFJBEGP-ZDUSSCGKSA-N 1 0 255.361 3.951 10 0 CHAERO [NH3+][C@@]1(c2ccccc2Cl)CCc2ccccc2C1 ZINC000038078337 174088596 /nfs/dbraw/zinc/08/85/96/174088596.db2.gz PPLPGVOKLRFBCT-INIZCTEOSA-N 1 0 257.764 3.683 10 0 CHAERO CCCC[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(F)cc1 ZINC000038088189 174100819 /nfs/dbraw/zinc/10/08/19/174100819.db2.gz GEVAHROGQZMZIW-BBRMVZONSA-N 1 0 266.404 3.597 10 0 CHAERO CCCCc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C)cc1 ZINC000038087871 174100842 /nfs/dbraw/zinc/10/08/42/174100842.db2.gz XGVYQCDMVRDBLQ-LSDHHAIUSA-N 1 0 262.441 3.630 10 0 CHAERO Cc1csc(C[NH2+][C@@H](c2cccs2)C(C)C)n1 ZINC000038091042 174104590 /nfs/dbraw/zinc/10/45/90/174104590.db2.gz QTVOCNAACSSFGM-CYBMUJFWSA-N 1 0 266.435 4.000 10 0 CHAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1F ZINC000038134290 174132655 /nfs/dbraw/zinc/13/26/55/174132655.db2.gz XYFZERGQUXRWIM-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO Cc1nccn1C[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000038827586 174155839 /nfs/dbraw/zinc/15/58/39/174155839.db2.gz BWXXBIUNIMYBCU-GOSISDBHSA-N 1 0 277.371 3.559 10 0 CHAERO [NH3+]C[C@H](c1ccc(Cl)c(Cl)c1)N1CCCCCC1 ZINC000039142611 174164114 /nfs/dbraw/zinc/16/41/14/174164114.db2.gz XSNJWNYBKDEADW-CQSZACIVSA-N 1 0 287.234 3.869 10 0 CHAERO C[NH+](C)CCCn1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040404199 174253735 /nfs/dbraw/zinc/25/37/35/174253735.db2.gz ZIXGUZXVKXYPIP-UHFFFAOYSA-N 1 0 293.842 3.939 10 0 CHAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cccnc2)s1 ZINC000040517616 174307949 /nfs/dbraw/zinc/30/79/49/174307949.db2.gz WJOXLXXKLKQGBC-NXEZZACHSA-N 1 0 261.394 3.567 10 0 CHAERO C[NH2+]C[C@H](C)c1nc(-c2ccc(C)cc2C)cs1 ZINC000041348782 174529457 /nfs/dbraw/zinc/52/94/57/174529457.db2.gz IUUSPWURRVQVDA-LBPRGKRZSA-N 1 0 260.406 3.750 10 0 CHAERO [NH3+]C[C@@H](Cc1ccccc1F)Cc1ccccc1Cl ZINC000041431641 174551872 /nfs/dbraw/zinc/55/18/72/174551872.db2.gz LEKFCZMSVIFLLX-GFCCVEGCSA-N 1 0 277.770 3.839 10 0 CHAERO CSc1ccc(C(=O)C[N@H+](CC(C)C)C2CC2)cc1 ZINC000042558681 174794755 /nfs/dbraw/zinc/79/47/55/174794755.db2.gz QLGOYVUFPAMAFK-UHFFFAOYSA-N 1 0 277.433 3.712 10 0 CHAERO CC(C)CN(c1ccccc1C[NH2+]C(C)C)C1CC1 ZINC000042558846 174794832 /nfs/dbraw/zinc/79/48/32/174794832.db2.gz SXAHLGCJDKCYBQ-UHFFFAOYSA-N 1 0 260.425 3.809 10 0 CHAERO CCCCC[C@H](C)[NH2+]Cc1ccc(Cl)c(N)c1 ZINC000042574124 174801328 /nfs/dbraw/zinc/80/13/28/174801328.db2.gz TZSVJPSOMPBTTH-NSHDSACASA-N 1 0 254.805 3.981 10 0 CHAERO CC[NH2+][C@@H](C)c1ccccc1N(CC)CC(F)(F)F ZINC000042768933 174870791 /nfs/dbraw/zinc/87/07/91/174870791.db2.gz RSGVBJHYNJAMLU-NSHDSACASA-N 1 0 274.330 3.746 10 0 CHAERO C[C@@H]1C[C@@H](O[C@@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC000042899994 174905376 /nfs/dbraw/zinc/90/53/76/174905376.db2.gz GYRAKCLKCNSDIW-BMFZPTHFSA-N 1 0 261.409 3.918 10 0 CHAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)n1cc(Cl)cn1 ZINC000042947559 174922392 /nfs/dbraw/zinc/92/23/92/174922392.db2.gz ALIOIMXDZLQPHP-OLZOCXBDSA-N 1 0 284.190 3.517 10 0 CHAERO C[C@@H]([NH3+])[C@@H](OCc1ccco1)c1ccc(Cl)cc1 ZINC000042947851 174922822 /nfs/dbraw/zinc/92/28/22/174922822.db2.gz WHWUUTMVEXFWJS-QMTHXVAHSA-N 1 0 265.740 3.538 10 0 CHAERO C[C@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000042948246 174922846 /nfs/dbraw/zinc/92/28/46/174922846.db2.gz ZUEDJFNKBMKOLX-BONVTDFDSA-N 1 0 279.742 3.946 10 0 CHAERO C[C@@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000042948249 174922856 /nfs/dbraw/zinc/92/28/56/174922856.db2.gz ZUEDJFNKBMKOLX-BMIGLBTASA-N 1 0 279.742 3.946 10 0 CHAERO Cc1cccc([C@@H](OCc2ccccc2)[C@H](C)[NH3+])c1 ZINC000042967904 174931943 /nfs/dbraw/zinc/93/19/43/174931943.db2.gz GNALXIUIKXYIAI-YOEHRIQHSA-N 1 0 255.361 3.600 10 0 CHAERO Cc1cccc([C@H](Oc2ccccc2C)[C@@H](C)[NH3+])c1 ZINC000042968102 174932473 /nfs/dbraw/zinc/93/24/73/174932473.db2.gz FIVQLOUGVMNNFQ-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO Cc1cccc([C@@H](Oc2cccc(F)c2)[C@@H](C)[NH3+])c1 ZINC000042968187 174932608 /nfs/dbraw/zinc/93/26/08/174932608.db2.gz OZVVJQAALIKQBA-WBMJQRKESA-N 1 0 259.324 3.601 10 0 CHAERO Cc1nnc(S[C@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])s1 ZINC000043019581 174944699 /nfs/dbraw/zinc/94/46/99/174944699.db2.gz MXZPRSNQIILQRG-HQJQHLMTSA-N 1 0 299.852 3.681 10 0 CHAERO CCC[NH+](CCC)[C@@H](c1ccccc1C)[C@@H](N)CC ZINC000043033625 174950135 /nfs/dbraw/zinc/95/01/35/174950135.db2.gz NPEOLBLNPCSSLJ-IRXDYDNUSA-N 1 0 262.441 3.895 10 0 CHAERO Cc1cccc(O[C@H](C[NH3+])c2ccccc2C)c1C ZINC000043038403 174952815 /nfs/dbraw/zinc/95/28/15/174952815.db2.gz RXIWVKVWPNSMRM-QGZVFWFLSA-N 1 0 255.361 3.691 10 0 CHAERO Cc1ccccc1[C@@H](O[C@@H]1CCCC[C@@H]1C)[C@@H](C)[NH3+] ZINC000043039278 174953053 /nfs/dbraw/zinc/95/30/53/174953053.db2.gz LXMKCPWTWXTEPN-ABFRBSLYSA-N 1 0 261.409 3.979 10 0 CHAERO Cc1ccccc1[C@H](C[NH3+])Sc1ccccc1F ZINC000043040807 174953319 /nfs/dbraw/zinc/95/33/19/174953319.db2.gz GKKMFYJEIONELR-HNNXBMFYSA-N 1 0 261.365 3.926 10 0 CHAERO COc1cccc(S[C@H](C[NH3+])c2ccccc2C)c1 ZINC000043040830 174953324 /nfs/dbraw/zinc/95/33/24/174953324.db2.gz FQEKDXGMIYMJCM-MRXNPFEDSA-N 1 0 273.401 3.796 10 0 CHAERO C[C@@H]([NH3+])[C@H](OCCc1cccs1)c1ccccc1F ZINC000043048903 174957986 /nfs/dbraw/zinc/95/79/86/174957986.db2.gz JBWPEWZGRAEPMG-ABAIWWIYSA-N 1 0 279.380 3.535 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OCCOC(C)C)c1ccccc1Cl ZINC000043087676 174963369 /nfs/dbraw/zinc/96/33/69/174963369.db2.gz AMLQGGGBQMLFFH-GJZGRUSLSA-N 1 0 285.815 3.560 10 0 CHAERO CCN(C(C)C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091236 174964075 /nfs/dbraw/zinc/96/40/75/174964075.db2.gz GLIWKOQSTDHKLH-RISCZKNCSA-N 1 0 299.256 3.568 10 0 CHAERO CCCN(CC)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091280 174964265 /nfs/dbraw/zinc/96/42/65/174964265.db2.gz XXLQGBXSGWILJX-BXUZGUMPSA-N 1 0 299.256 3.569 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OCC1CC1)c1ccccc1Br ZINC000043094964 174964409 /nfs/dbraw/zinc/96/44/09/174964409.db2.gz KZUZTOISXDYVDA-ZIAGYGMSSA-N 1 0 298.224 3.654 10 0 CHAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC(C)C)c1cccs1 ZINC000043109860 174973835 /nfs/dbraw/zinc/97/38/35/174973835.db2.gz VFFNOTQEJSDCMR-SCRDCRAPSA-N 1 0 255.427 3.978 10 0 CHAERO C[C@H]([NH3+])[C@@H](Sc1nc2ccccc2[nH]1)c1cccs1 ZINC000043112912 174974669 /nfs/dbraw/zinc/97/46/69/174974669.db2.gz KMKWRKUIKZFZKG-TVQRCGJNSA-N 1 0 289.429 3.805 10 0 CHAERO CC[NH2+][C@@H](c1cccc(C)c1)c1cc(F)cc(F)c1 ZINC000043388033 175032997 /nfs/dbraw/zinc/03/29/97/175032997.db2.gz HZZWQCPCTVXBMP-INIZCTEOSA-N 1 0 261.315 3.972 10 0 CHAERO CCc1ccc([C@H](Cc2ccsc2)[NH2+]C)s1 ZINC000043640170 175084229 /nfs/dbraw/zinc/08/42/29/175084229.db2.gz GFMNSODCHZNZIV-LBPRGKRZSA-N 1 0 251.420 3.875 10 0 CHAERO CC[NH2+][C@@H]1CCC[C@@H]1Cc1cc(Br)cs1 ZINC000043688105 175095277 /nfs/dbraw/zinc/09/52/77/175095277.db2.gz OTXXTEPSFLWVTF-BXKDBHETSA-N 1 0 288.254 3.831 10 0 CHAERO Cc1cc(C)c([C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000044113756 175141015 /nfs/dbraw/zinc/14/10/15/175141015.db2.gz KHJDWFABSYDJDC-VBQJREDUSA-N 1 0 275.436 3.623 10 0 CHAERO CCCc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000044116268 175141817 /nfs/dbraw/zinc/14/18/17/175141817.db2.gz MSBFLZQOHFBJSC-WMLDXEAASA-N 1 0 261.409 3.547 10 0 CHAERO Cc1cc(C)c([C@H](O)C[NH+]2CCCCCC2)c(C)c1 ZINC000044118061 175142021 /nfs/dbraw/zinc/14/20/21/175142021.db2.gz XZSZATGWKXJHTI-MRXNPFEDSA-N 1 0 261.409 3.521 10 0 CHAERO Cc1ccc([C@H](O)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000044120604 175142980 /nfs/dbraw/zinc/14/29/80/175142980.db2.gz QHSSFBQEIYGTJZ-QGZVFWFLSA-N 1 0 261.409 3.601 10 0 CHAERO CCOc1ccc([C@@H](O)C[NH+](CC(C)C)CC(C)C)cc1 ZINC000044162862 175147946 /nfs/dbraw/zinc/14/79/46/175147946.db2.gz FUKCRXDMOXMXRV-SFHVURJKSA-N 1 0 293.451 3.733 10 0 CHAERO CCCc1ccccc1-n1c(N)[nH+]c2ccccc21 ZINC000044388961 175170554 /nfs/dbraw/zinc/17/05/54/175170554.db2.gz WZUUSQFFPQOJHI-UHFFFAOYSA-N 1 0 251.333 3.560 10 0 CHAERO CCC[C@H]([NH3+])CCc1sccc1Br ZINC000044470992 175177651 /nfs/dbraw/zinc/17/76/51/175177651.db2.gz CDBWHNYXCQSCLS-QMMMGPOBSA-N 1 0 262.216 3.571 10 0 CHAERO CCOC[C@@H](C)[NH2+][C@@H](C)c1sccc1Br ZINC000044691766 175233795 /nfs/dbraw/zinc/23/37/95/175233795.db2.gz CBMQZYZVFYRXHC-BDAKNGLRSA-N 1 0 292.242 3.586 10 0 CHAERO Cc1cccc(C(C)C)c1NC(=O)C1(C[NH3+])CCCC1 ZINC000044762230 175246417 /nfs/dbraw/zinc/24/64/17/175246417.db2.gz HOJFIECRDKSAKJ-UHFFFAOYSA-N 1 0 274.408 3.576 10 0 CHAERO C[NH2+][C@H](C)c1csc(-c2ccc(Br)cc2)n1 ZINC000070841065 176008321 /nfs/dbraw/zinc/00/83/21/176008321.db2.gz DCRHCTBBLDJEFN-MRVPVSSYSA-N 1 0 297.221 3.853 10 0 CHAERO CCC[NH2+][C@@H](CCc1ccc(F)cc1F)C1CC1 ZINC000070940906 176014870 /nfs/dbraw/zinc/01/48/70/176014870.db2.gz UHGBQVPPSRIESR-HNNXBMFYSA-N 1 0 253.336 3.676 10 0 CHAERO Cc1cccnc1C[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000071339784 176130029 /nfs/dbraw/zinc/13/00/29/176130029.db2.gz DZODFGUZTLLNDX-OAGGEKHMSA-N 1 0 258.409 3.839 10 0 CHAERO CC[C@@H](C)COc1ccc(C[NH2+]C)cc1C(F)(F)F ZINC000071398514 176151910 /nfs/dbraw/zinc/15/19/10/176151910.db2.gz OLTWZYHAAKEPAI-SNVBAGLBSA-N 1 0 275.314 3.850 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cc3cc(C)ccc3o2)cc1 ZINC000071406812 176156115 /nfs/dbraw/zinc/15/61/15/176156115.db2.gz HNWVKWLPPKSENB-KRWDZBQOSA-N 1 0 267.328 3.798 10 0 CHAERO CCOc1ccc([C@H](CC[NH3+])C2CC2)cc1Cl ZINC000071575239 176202328 /nfs/dbraw/zinc/20/23/28/176202328.db2.gz LRARDAGZZOKFAI-GFCCVEGCSA-N 1 0 253.773 3.581 10 0 CHAERO COc1ccc([C@@H](CCC[NH3+])C(C)C)cc1Cl ZINC000071577192 176205688 /nfs/dbraw/zinc/20/56/88/176205688.db2.gz FNRHYCSGIPQLOR-LBPRGKRZSA-N 1 0 255.789 3.827 10 0 CHAERO [NH3+]CC[C@H](c1ccc(OC2CCCC2)cc1)C1CC1 ZINC000071585736 176211248 /nfs/dbraw/zinc/21/12/48/176211248.db2.gz JAWQSKFNLKECLF-KRWDZBQOSA-N 1 0 259.393 3.850 10 0 CHAERO CCCCc1ccc(-c2cnc(CC[NH3+])s2)cc1 ZINC000071586926 176213478 /nfs/dbraw/zinc/21/34/78/176213478.db2.gz VBSQQCJCRYGMSM-UHFFFAOYSA-N 1 0 260.406 3.654 10 0 CHAERO CC(C)Oc1ccc([C@H](CC[NH3+])C2CC2)cc1Cl ZINC000071599492 176224565 /nfs/dbraw/zinc/22/45/65/176224565.db2.gz HLJINBPTPMMOAP-CYBMUJFWSA-N 1 0 267.800 3.970 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2Cc1ccccc1 ZINC000071631844 176236820 /nfs/dbraw/zinc/23/68/20/176236820.db2.gz IISIAGCMCQDBMJ-GOSISDBHSA-N 1 0 281.399 3.860 10 0 CHAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@@H]2c1ccco1 ZINC000071633540 176238089 /nfs/dbraw/zinc/23/80/89/176238089.db2.gz JVNJDTWOCGUNEW-KRWDZBQOSA-N 1 0 283.371 3.793 10 0 CHAERO CC[C@@H](CC[NH3+])c1ccc(OC(C)C)c(Cl)c1 ZINC000076661498 177049089 /nfs/dbraw/zinc/04/90/89/177049089.db2.gz ZDQOXOHOIUQRAP-NSHDSACASA-N 1 0 255.789 3.970 10 0 CHAERO CCOc1ccc([C@H](CC[NH3+])c2cccs2)cc1 ZINC000076673101 177054560 /nfs/dbraw/zinc/05/45/60/177054560.db2.gz CPAMVPIBYBNKHD-AWEZNQCLSA-N 1 0 261.390 3.628 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccccc1F)c1cccs1 ZINC000076678397 177057160 /nfs/dbraw/zinc/05/71/60/177057160.db2.gz STQXGEOOYQJWPE-CYBMUJFWSA-N 1 0 263.381 3.952 10 0 CHAERO CC(C)c1ccccc1N(CC[NH3+])Cc1cccs1 ZINC000076721742 177069840 /nfs/dbraw/zinc/06/98/40/177069840.db2.gz NPPMEWDQEPDWKD-UHFFFAOYSA-N 1 0 274.433 3.837 10 0 CHAERO CCC[NH2+]CCc1csc(-c2ccccc2C)n1 ZINC000076783377 177091342 /nfs/dbraw/zinc/09/13/42/177091342.db2.gz TXKLGLUQYUFJCX-UHFFFAOYSA-N 1 0 260.406 3.661 10 0 CHAERO CCC[NH2+][C@H](C)c1csc(-c2cccc(OC)c2)n1 ZINC000076784318 177091791 /nfs/dbraw/zinc/09/17/91/177091791.db2.gz TYALVFJGHHHAPX-LLVKDONJSA-N 1 0 276.405 3.879 10 0 CHAERO C[NH2+][C@H](C)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000076784797 177092289 /nfs/dbraw/zinc/09/22/89/177092289.db2.gz SITREQKNAGRHRH-LLVKDONJSA-N 1 0 276.405 3.878 10 0 CHAERO CCN(c1nc([C@@H](C)[NH2+]C)cs1)c1ccccc1 ZINC000076787608 177094980 /nfs/dbraw/zinc/09/49/80/177094980.db2.gz KPNCDFVQOYUKLD-LLVKDONJSA-N 1 0 261.394 3.582 10 0 CHAERO Cc1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)nc1 ZINC000344735217 225146392 /nfs/dbraw/zinc/14/63/92/225146392.db2.gz AIZZKBLBTHTUHD-UHFFFAOYSA-N 1 0 286.341 3.848 10 0 CHAERO CCCOc1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070154 260151291 /nfs/dbraw/zinc/15/12/91/260151291.db2.gz JPGIPNBISJHCRV-KRWDZBQOSA-N 1 0 283.371 3.699 10 0 CHAERO COc1ccccc1C1CC([NH2+][C@@H](C)c2nccs2)C1 ZINC000080265135 260178720 /nfs/dbraw/zinc/17/87/20/260178720.db2.gz FLTJVOAYZOCLAM-HIFPTAJRSA-N 1 0 288.416 3.749 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCC1CCCCC1)CC2 ZINC000311363194 260243762 /nfs/dbraw/zinc/24/37/62/260243762.db2.gz CDHNYLMWKNQVRY-IAGOWNOFSA-N 1 0 265.441 3.584 10 0 CHAERO CC[C@@H]([NH2+]Cc1cccn1CC)c1ccc(OC)cc1 ZINC000091024437 260265032 /nfs/dbraw/zinc/26/50/32/260265032.db2.gz HDRJSHFXJHEADG-QGZVFWFLSA-N 1 0 272.392 3.758 10 0 CHAERO CCn1cccc1CNc1cccc(C[NH+](CC)CC)c1 ZINC000091024635 260265105 /nfs/dbraw/zinc/26/51/05/260265105.db2.gz AWEBZNTYBFWAKJ-UHFFFAOYSA-N 1 0 285.435 3.962 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000093248818 260273482 /nfs/dbraw/zinc/27/34/82/260273482.db2.gz JDUBZRXOVHDMSM-LPHOPBHVSA-N 1 0 281.399 3.711 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000093248817 260273546 /nfs/dbraw/zinc/27/35/46/260273546.db2.gz JDUBZRXOVHDMSM-QFBILLFUSA-N 1 0 281.399 3.711 10 0 CHAERO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130512754 260396127 /nfs/dbraw/zinc/39/61/27/260396127.db2.gz FZKCPKJMWBNAER-XJKSGUPXSA-N 1 0 258.409 3.665 10 0 CHAERO C[C@H]1CCC[C@H]([N@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130512355 260396521 /nfs/dbraw/zinc/39/65/21/260396521.db2.gz FZKCPKJMWBNAER-BBRMVZONSA-N 1 0 258.409 3.665 10 0 CHAERO CC1(C)C[C@H]([NH2+][C@H]2CCCSC2)c2ccccc2O1 ZINC000132461173 260499440 /nfs/dbraw/zinc/49/94/40/260499440.db2.gz VZJQYBJIRYRYOL-JSGCOSHPSA-N 1 0 277.433 3.774 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCc2ccc(OC)cc2C1)C(C)C ZINC000133245864 260518236 /nfs/dbraw/zinc/51/82/36/260518236.db2.gz LUGMWCHCWRHWTP-RDJZCZTQSA-N 1 0 261.409 3.577 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CCc2cccc(F)c2)c1C ZINC000045169851 260650207 /nfs/dbraw/zinc/65/02/07/260650207.db2.gz ZWXRNOJSFNNREM-GFCCVEGCSA-N 1 0 289.398 3.552 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCOc3ccccc31)CC2 ZINC000173230638 261158222 /nfs/dbraw/zinc/15/82/22/261158222.db2.gz SYYILZFQEVJQLO-MSOLQXFVSA-N 1 0 295.382 3.796 10 0 CHAERO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)c3cccc(C)c3)C2)c1 ZINC000173699996 261169684 /nfs/dbraw/zinc/16/96/84/261169684.db2.gz WKNUENNRTCGBMB-AEFFLSMTSA-N 1 0 283.419 3.898 10 0 CHAERO C[C@H](CCn1cccn1)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000158977934 261174892 /nfs/dbraw/zinc/17/48/92/261174892.db2.gz FCDRROFBVCOLCH-GDBMZVCRSA-N 1 0 299.418 3.554 10 0 CHAERO Cc1ccccc1CCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000175972441 261257721 /nfs/dbraw/zinc/25/77/21/261257721.db2.gz ZXKAGPFLLPZURK-SFHVURJKSA-N 1 0 283.419 3.878 10 0 CHAERO CC[C@@H](C)[N@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000104688120 261297782 /nfs/dbraw/zinc/29/77/82/261297782.db2.gz LBHKJXSKQKDOLB-GFCCVEGCSA-N 1 0 274.364 3.581 10 0 CHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000106225666 261323405 /nfs/dbraw/zinc/32/34/05/261323405.db2.gz ZIINSMYQWIMMBP-HNNXBMFYSA-N 1 0 289.810 3.682 10 0 CHAERO Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000301978750 261345226 /nfs/dbraw/zinc/34/52/26/261345226.db2.gz ADOUFKHLZTVPAT-FUHWJXTLSA-N 1 0 295.430 3.855 10 0 CHAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000177741492 261367796 /nfs/dbraw/zinc/36/77/96/261367796.db2.gz GHCVPHQLOWQGAQ-ZJUUUORDSA-N 1 0 261.818 3.867 10 0 CHAERO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCOc2ccccc21 ZINC000178468704 261394377 /nfs/dbraw/zinc/39/43/77/261394377.db2.gz XJAOZTDCRRIEOY-GUYCJALGSA-N 1 0 285.362 3.870 10 0 CHAERO CCCCC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000180602482 261867694 /nfs/dbraw/zinc/86/76/94/261867694.db2.gz QNXWQOXXYICEJO-IAGOWNOFSA-N 1 0 298.434 3.504 10 0 CHAERO CN(C)C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000120438140 262195371 /nfs/dbraw/zinc/19/53/71/262195371.db2.gz OQQRPUXMKTXEFR-WOJBJXKFSA-N 1 0 294.442 3.957 10 0 CHAERO Cc1cccc(C[NH2+][C@H](C)COCc2ccccc2)c1C ZINC000390567646 262219579 /nfs/dbraw/zinc/21/95/79/262219579.db2.gz QZZWHEXOTYGLLB-MRXNPFEDSA-N 1 0 283.415 3.998 10 0 CHAERO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000188389965 262293433 /nfs/dbraw/zinc/29/34/33/262293433.db2.gz VLJBRBFRDCLLEE-DOMZBBRYSA-N 1 0 297.826 3.784 10 0 CHAERO CC[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccs1 ZINC000185355066 262303843 /nfs/dbraw/zinc/30/38/43/262303843.db2.gz NVGWEEBBYUXSTG-CYBMUJFWSA-N 1 0 294.464 3.615 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ncc[nH]1 ZINC000139028148 262720844 /nfs/dbraw/zinc/72/08/44/262720844.db2.gz GYZSDLZZFMRZSS-QWHCGFSZSA-N 1 0 265.360 3.975 10 0 CHAERO CC(C)n1ncc2cc(C[NH2+]CC(C)(C)C(C)C)cnc21 ZINC000189468510 264302263 /nfs/dbraw/zinc/30/22/63/264302263.db2.gz RTCJXIPJUUOHPM-UHFFFAOYSA-N 1 0 288.439 3.784 10 0 CHAERO CC(C)Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000094895988 265271033 /nfs/dbraw/zinc/27/10/33/265271033.db2.gz AVEOCEIJLGRGGL-WMLDXEAASA-N 1 0 261.409 3.542 10 0 CHAERO CC[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)C(C)C ZINC000096543859 265373224 /nfs/dbraw/zinc/37/32/24/265373224.db2.gz PYZGVDYVBYITMZ-CYBMUJFWSA-N 1 0 265.788 3.512 10 0 CHAERO C[C@@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C1CCOCC1 ZINC000222132255 268034013 /nfs/dbraw/zinc/03/40/13/268034013.db2.gz QDVXQJVWZBVRTA-OLJMKKDRSA-N 1 0 293.838 3.991 10 0 CHAERO Cc1ccc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)nn1 ZINC000335179822 335087382 /nfs/dbraw/zinc/08/73/82/335087382.db2.gz PLUJNCXROLJFTN-SJCJKPOMSA-N 1 0 267.376 3.513 10 0 CHAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000178431906 327734384 /nfs/dbraw/zinc/73/43/84/327734384.db2.gz SZWYEDCPIKOOAN-STQMWFEESA-N 1 0 253.361 3.600 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)C(C)C ZINC000040490996 327907717 /nfs/dbraw/zinc/90/77/17/327907717.db2.gz MXRMMKBSAOYOEM-GXTWGEPZSA-N 1 0 265.397 3.789 10 0 CHAERO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000040773800 328018000 /nfs/dbraw/zinc/01/80/00/328018000.db2.gz TTWGDSDOXVHQLB-KDOFPFPSSA-N 1 0 271.404 3.897 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000310041789 328067964 /nfs/dbraw/zinc/06/79/64/328067964.db2.gz YZHXUFSQWJPVCN-OPQQBVKSSA-N 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KAFTVLRRGVHHNZ-CQSZACIVSA-N 1 0 281.399 3.822 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1Br ZINC000052274076 328641895 /nfs/dbraw/zinc/64/18/95/328641895.db2.gz HOZVIOYVUAXIER-HOTUBEGUSA-N 1 0 284.197 3.517 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(Br)c1 ZINC000052271115 328641902 /nfs/dbraw/zinc/64/19/02/328641902.db2.gz NXGFSUVABBBDSO-VDDIYKPWSA-N 1 0 254.171 3.508 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(Br)c1 ZINC000052271110 328642111 /nfs/dbraw/zinc/64/21/11/328642111.db2.gz NXGFSUVABBBDSO-PTRXPTGYSA-N 1 0 254.171 3.508 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000300413608 332814619 /nfs/dbraw/zinc/81/46/19/332814619.db2.gz DKODTWZHVACREC-BPLDGKMQSA-N 1 0 275.392 3.687 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)CC(C)(C)C1 ZINC000402396391 332822233 /nfs/dbraw/zinc/82/22/33/332822233.db2.gz YJANJZHAZLTJSE-QLFBSQMISA-N 1 0 253.430 3.608 10 0 CHAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cc2c(s1)CCCC2 ZINC000324450216 328751968 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CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248894475 329901858 /nfs/dbraw/zinc/90/18/58/329901858.db2.gz SZLSUOGXZTVBLY-MORSLUCNSA-N 1 0 273.420 3.857 10 0 CHAERO CCCCOc1cc(C[NH2+]C(C)(C)C)ccc1OC ZINC000032114231 330236496 /nfs/dbraw/zinc/23/64/96/330236496.db2.gz XOYKAUIKQNVXFU-UHFFFAOYSA-N 1 0 265.397 3.762 10 0 CHAERO Oc1cccc2c1CC[C@H]2[NH2+]CCCc1ccccc1 ZINC000036852269 330301726 /nfs/dbraw/zinc/30/17/26/330301726.db2.gz FXHNCZCMHAIRGZ-QGZVFWFLSA-N 1 0 267.372 3.602 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CC2CCCCC2)c1C ZINC000045169588 330340547 /nfs/dbraw/zinc/34/05/47/330340547.db2.gz QQJNWHMJCYZMKP-LBPRGKRZSA-N 1 0 263.429 3.751 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CCCc2ccccc2)c1C ZINC000045168049 330340564 /nfs/dbraw/zinc/34/05/64/330340564.db2.gz KBEYEGWFNAVYDB-AWEZNQCLSA-N 1 0 285.435 3.803 10 0 CHAERO CC[NH+](CC)C[C@@H](C)N[C@@H](c1ccco1)c1ccccc1 ZINC000045690625 330348508 /nfs/dbraw/zinc/34/85/08/330348508.db2.gz VDALNEWANOHHNH-CRAIPNDOSA-N 1 0 286.419 3.689 10 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1 0 282.378 3.984 10 0 CHAERO CC[N@H+](Cc1nccn1C(C)C)[C@@H]1CCCC[C@@H]1C ZINC000120106433 330384606 /nfs/dbraw/zinc/38/46/06/330384606.db2.gz NUGBIHUOHLCFRK-LSDHHAIUSA-N 1 0 263.429 3.865 10 0 CHAERO CC(C)(C)c1csc([C@@H]2CN(C3CCCC3)CCO2)n1 ZINC000120174454 330386030 /nfs/dbraw/zinc/38/60/30/330386030.db2.gz YMTVOGSRVOTCND-ZDUSSCGKSA-N 1 0 294.464 3.757 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1OC(F)(F)F ZINC000120425453 330388732 /nfs/dbraw/zinc/38/87/32/330388732.db2.gz WSPHHXMOHIQALM-WCABBAIRSA-N 1 0 259.271 3.644 10 0 CHAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000090226488 330391632 /nfs/dbraw/zinc/39/16/32/330391632.db2.gz HJHMZLMFDKKHKM-KKUMJFAQSA-N 1 0 290.455 3.616 10 0 CHAERO C1=CC[C@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)CC1 ZINC000120852052 330392921 /nfs/dbraw/zinc/39/29/21/330392921.db2.gz YBTNMDUQSZWSFS-ZDUSSCGKSA-N 1 0 287.407 3.662 10 0 CHAERO COc1ccc([C@@H]([NH2+]C[C@H]2CCCS2)C2CC2)cc1 ZINC000149670135 330576996 /nfs/dbraw/zinc/57/69/96/330576996.db2.gz PLINHTHKPXUGBV-CVEARBPZSA-N 1 0 277.433 3.632 10 0 CHAERO CC1(C)C[C@@H]([NH2+]Cc2cccc(O)c2)c2ccccc2O1 ZINC000153000569 330638334 /nfs/dbraw/zinc/63/83/34/330638334.db2.gz FJKHQGPATIUIIH-MRXNPFEDSA-N 1 0 283.371 3.784 10 0 CHAERO COCC[C@@H](C)[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156752163 330745870 /nfs/dbraw/zinc/74/58/70/330745870.db2.gz CZWRMIHQRIRBLE-CZUORRHYSA-N 1 0 261.409 3.715 10 0 CHAERO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1COc2ccccc21 ZINC000163432788 331039189 /nfs/dbraw/zinc/03/91/89/331039189.db2.gz RRIFAOOAGSTDSR-JQWIXIFHSA-N 1 0 273.298 3.831 10 0 CHAERO [NH3+]C1(c2noc(-c3cccc(F)c3Cl)n2)CCCCC1 ZINC000165481437 331306269 /nfs/dbraw/zinc/30/62/69/331306269.db2.gz LXWAPLHVVNQMRQ-UHFFFAOYSA-N 1 0 295.745 3.647 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]CC1(O)CCC1)c1ccccc1 ZINC000166051423 331306541 /nfs/dbraw/zinc/30/65/41/331306541.db2.gz PXIPESLWECVDLH-GOSISDBHSA-N 1 0 281.399 3.589 10 0 CHAERO CC(C)C1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000466410518 331395596 /nfs/dbraw/zinc/39/55/96/331395596.db2.gz RJZZFLHGJGWGNK-QBBMROGASA-N 1 0 267.457 3.994 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC000466424908 331396484 /nfs/dbraw/zinc/39/64/84/331396484.db2.gz JWTXFLIRPCLCIF-CLLJXQQHSA-N 1 0 296.480 3.734 10 0 CHAERO CS[C@@H]1CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466454093 331397509 /nfs/dbraw/zinc/39/75/09/331397509.db2.gz VQMCYNKTVGNCGZ-MMVSWEMESA-N 1 0 281.387 3.839 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3C)C2)c1 ZINC000248183720 334296664 /nfs/dbraw/zinc/29/66/64/334296664.db2.gz WXVVIOKKAZJZGL-DLBZAZTESA-N 1 0 283.419 3.898 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cc2ccccc2o1 ZINC000248180209 334296814 /nfs/dbraw/zinc/29/68/14/334296814.db2.gz WGUKVXLBMJRBNN-QEJZJMRPSA-N 1 0 273.376 3.635 10 0 CHAERO C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000503557270 332691953 /nfs/dbraw/zinc/69/19/53/332691953.db2.gz IWANJGJXIREEOZ-XLMAVXFVSA-N 1 0 275.436 3.801 10 0 CHAERO COc1ccc([C@H]([NH2+][C@H]2CC=CCC2)C2CC2)cc1 ZINC000088747138 333091811 /nfs/dbraw/zinc/09/18/11/333091811.db2.gz OWTVFYVQIFWNNT-DOTOQJQBSA-N 1 0 257.377 3.845 10 0 CHAERO CCCCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089164464 333095236 /nfs/dbraw/zinc/09/52/36/333095236.db2.gz LXZNEGUMWBDDAB-WMZOPIPTSA-N 1 0 291.435 3.506 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)C12CCOCC2 ZINC000186356648 333159147 /nfs/dbraw/zinc/15/91/47/333159147.db2.gz IVHXHWFSJARTBO-JKSUJKDBSA-N 1 0 295.467 3.519 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000222243900 333178374 /nfs/dbraw/zinc/17/83/74/333178374.db2.gz AIWIULVTGSARGM-CABCVRRESA-N 1 0 267.457 3.998 10 0 CHAERO CCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000222590161 333197446 /nfs/dbraw/zinc/19/74/46/333197446.db2.gz AOIHPTYWWVGULO-RVKKMQEKSA-N 1 0 272.436 3.699 10 0 CHAERO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000172822651 335123137 /nfs/dbraw/zinc/12/31/37/335123137.db2.gz 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282.472 3.713 10 0 CHAERO CCCCCc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070577433 333817776 /nfs/dbraw/zinc/81/77/76/333817776.db2.gz CBUATHSMYKSCFW-HOTGVXAUSA-N 1 0 288.435 3.875 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)c1 ZINC000134116862 334080914 /nfs/dbraw/zinc/08/09/14/334080914.db2.gz OHSIRZZSUQTHAP-OLZOCXBDSA-N 1 0 258.340 3.941 10 0 CHAERO C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)c(C)c2)c1 ZINC000135218754 334119975 /nfs/dbraw/zinc/11/99/75/334119975.db2.gz GRZDPOCFHQEBPQ-UHFFFAOYSA-N 1 0 288.778 3.620 10 0 CHAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137080113 334169455 /nfs/dbraw/zinc/16/94/55/334169455.db2.gz JARAJVVAYQJPDQ-CPCISQLKSA-N 1 0 274.589 3.601 10 0 CHAERO O[C@@H]1CCCC[C@H]1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000247043478 334274516 /nfs/dbraw/zinc/27/45/16/334274516.db2.gz QAWVTAKDUYXZNI-JZXOWHBKSA-N 1 0 285.387 3.510 10 0 CHAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000246812903 334269840 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IFRRAZSGIDQXJB-VRKREXBASA-N 1 0 259.393 3.925 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000252368738 334378717 /nfs/dbraw/zinc/37/87/17/334378717.db2.gz VFCOAWBLPAJGIJ-RLFYNMQTSA-N 1 0 291.435 3.940 10 0 CHAERO CC(C)(C)C[C@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000091524821 334379719 /nfs/dbraw/zinc/37/97/19/334379719.db2.gz JOZKOHUWZKOQMM-BCLQGDPASA-N 1 0 261.409 3.524 10 0 CHAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000324548848 334888027 /nfs/dbraw/zinc/88/80/27/334888027.db2.gz UMBQYKUOLQOROP-CMPLNLGQSA-N 1 0 287.856 3.776 10 0 CHAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000177746604 335401814 /nfs/dbraw/zinc/40/18/14/335401814.db2.gz SFAGGUIVTYIZJZ-DLBZAZTESA-N 1 0 291.483 3.774 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]C[C@@H](C)C2CCCCC2)o1 ZINC000381199944 336054839 /nfs/dbraw/zinc/05/48/39/336054839.db2.gz BXYXZLQIVWPARH-YPMHNXCESA-N 1 0 250.386 3.850 10 0 CHAERO Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1C[C@H]1C)CC2 ZINC000381509572 336066940 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ZINC000050491871 519761483 /nfs/dbraw/zinc/76/14/83/519761483.db2.gz SDEFUFXIJJVKFB-OAHLLOKOSA-N 1 0 267.800 3.806 10 0 CHAERO CCCC1CC[NH+](C2(CN)CCCCCC2)CC1 ZINC000050893317 519900640 /nfs/dbraw/zinc/90/06/40/519900640.db2.gz VDKXDDVABCDJKX-UHFFFAOYSA-N 1 0 252.446 3.550 10 0 CHAERO CCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(OC(C)C)cc1 ZINC000054593456 519927766 /nfs/dbraw/zinc/92/77/66/519927766.db2.gz HQOWEGKAVOABQY-DOTOQJQBSA-N 1 0 261.409 3.751 10 0 CHAERO CCC[NH2+]Cc1cnc(-c2ccccc2CC)s1 ZINC000052201349 519961555 /nfs/dbraw/zinc/96/15/55/519961555.db2.gz PUTZFGJOCGCNAZ-UHFFFAOYSA-N 1 0 260.406 3.872 10 0 CHAERO CC[NH2+]C[C@H](O[C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000050488941 519974193 /nfs/dbraw/zinc/97/41/93/519974193.db2.gz TWGBBMCCQXZICX-BBRMVZONSA-N 1 0 267.388 3.928 10 0 CHAERO CC[NH2+]C[C@]1(CCc2scnc2C)C[C@H]2CC[C@@H]1C2 ZINC000054638960 519982564 /nfs/dbraw/zinc/98/25/64/519982564.db2.gz OKPRMMCZKYKMCU-LZWOXQAQSA-N 1 0 278.465 3.800 10 0 CHAERO CC[NH2+]C[C@]1(OC2CCCCC2)CCC[C@H](C)C1 ZINC000050504100 519983157 /nfs/dbraw/zinc/98/31/57/519983157.db2.gz YCEXJDSHBYXYCS-HOCLYGCPSA-N 1 0 253.430 3.894 10 0 CHAERO CC[NH2+]Cc1sc(N2CCC[C@H](C)C2)nc1C(C)(C)C ZINC000054995582 520033542 /nfs/dbraw/zinc/03/35/42/520033542.db2.gz BKMYHAQGAGHPKL-LBPRGKRZSA-N 1 0 295.496 3.786 10 0 CHAERO CCC[NH2+][C@H](CC)c1nnc(-c2cccc(Cl)c2)o1 ZINC000061513167 520069248 /nfs/dbraw/zinc/06/92/48/520069248.db2.gz YRVMJCURAPMDGU-GFCCVEGCSA-N 1 0 279.771 3.841 10 0 CHAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1ccc(C)c(C)c1 ZINC000055269101 520204884 /nfs/dbraw/zinc/20/48/84/520204884.db2.gz BQXRSJCMTJTQOH-OAHLLOKOSA-N 1 0 274.433 3.962 10 0 CHAERO CC[NH2+][C@H](c1nc(C)cs1)c1ccccc1CC ZINC000052204746 520211200 /nfs/dbraw/zinc/21/12/00/520211200.db2.gz FOGZGAZFMJHDSP-AWEZNQCLSA-N 1 0 260.406 3.713 10 0 CHAERO CC[C@H]([NH3+])c1ccc(-c2cccc(COC)c2)s1 ZINC000049510979 522346806 /nfs/dbraw/zinc/34/68/06/522346806.db2.gz WSUXMXISVWMQMU-ZDUSSCGKSA-N 1 0 261.390 3.971 10 0 CHAERO CC(C)(C)[NH2+]C[C@@H]1CCCN1Cc1ccc(Cl)s1 ZINC000053649611 518760388 /nfs/dbraw/zinc/76/03/88/518760388.db2.gz NJCRASGSRVHBHE-NSHDSACASA-N 1 0 286.872 3.754 10 0 CHAERO CC(C)(C)[NH2+]Cc1cccc(OCc2cscn2)c1 ZINC000062731354 518766466 /nfs/dbraw/zinc/76/64/66/518766466.db2.gz NWBDIMRTQISTMY-UHFFFAOYSA-N 1 0 276.405 3.610 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccccc1F ZINC000062707738 519273383 /nfs/dbraw/zinc/27/33/83/519273383.db2.gz IAAYVUKUFMEHJN-AEFFLSMTSA-N 1 0 292.442 3.670 10 0 CHAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc(SC(F)(F)F)cc1 ZINC000054929531 519368854 /nfs/dbraw/zinc/36/88/54/519368854.db2.gz WWLLJOYYJPQQHT-NWDGAFQWSA-N 1 0 293.354 3.705 10 0 CHAERO CC(C)CCOCC[C@H](C[NH2+]C1CC1)CC(C)C ZINC000052968601 519669332 /nfs/dbraw/zinc/66/93/32/519669332.db2.gz TUHIURGPEVWXQU-HNNXBMFYSA-N 1 0 255.446 3.854 10 0 CHAERO CC(C)[NH2+]CC1(O[C@H]2CCC[C@@H](C)C2)CCCC1 ZINC000050497713 519720130 /nfs/dbraw/zinc/72/01/30/519720130.db2.gz UWHAARWINXDDGW-CABCVRRESA-N 1 0 253.430 3.893 10 0 CHAERO CC(C)[NH2+]C[C@H](OC[C@@H]1CC=CC[C@H]1C)C(C)C ZINC000052632289 519724651 /nfs/dbraw/zinc/72/46/51/519724651.db2.gz MXLLEUKRVJXWBL-PMPSAXMXSA-N 1 0 253.430 3.628 10 0 CHAERO CC(C)C[NH2+]CCCc1cc(Br)ccc1F ZINC000052949569 519744096 /nfs/dbraw/zinc/74/40/96/519744096.db2.gz QGVZZFUSLJEATB-UHFFFAOYSA-N 1 0 288.204 3.766 10 0 CHAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000054597887 519745407 /nfs/dbraw/zinc/74/54/07/519745407.db2.gz NZNOPGUGIGLXBY-DOTOQJQBSA-N 1 0 261.409 3.823 10 0 CHAERO CC(C)CO[C@@H](C[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000050491868 519759541 /nfs/dbraw/zinc/75/95/41/519759541.db2.gz SDEFUFXIJJVKFB-HNNXBMFYSA-N 1 0 267.800 3.806 10 0 CHAERO CC(C)[C@@H]1CN(Cc2ccc(Cl)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000062708910 519804723 /nfs/dbraw/zinc/80/47/23/519804723.db2.gz GMEHMNFWDHCHBB-IRXDYDNUSA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCC[NH2+]C1CC1 ZINC000052625300 519825738 /nfs/dbraw/zinc/82/57/38/519825738.db2.gz MZXKSENTOWDLPQ-FVQBIDKESA-N 1 0 253.430 3.606 10 0 CHAERO CC(C)[C@H]1CN(Cc2ccccc2)c2ccccc2C[NH2+]1 ZINC000062671268 519826990 /nfs/dbraw/zinc/82/69/90/519826990.db2.gz HBEYQXSECIJBRM-GOSISDBHSA-N 1 0 280.415 3.821 10 0 CHAERO CCCC1CC[NH+](C[C@H](O)c2ccccc2C)CC1 ZINC000050905282 519902205 /nfs/dbraw/zinc/90/22/05/519902205.db2.gz VBTXDXJSXFLHHY-KRWDZBQOSA-N 1 0 261.409 3.541 10 0 CHAERO CCCCC1CCC(CCOC)(C[NH2+]CC)CC1 ZINC000054639372 519919556 /nfs/dbraw/zinc/91/95/56/519919556.db2.gz FWCWBBLVZXNEGV-UHFFFAOYSA-N 1 0 255.446 3.999 10 0 CHAERO CCC[NH2+]C[C@@H](c1ccccc1)N(C)[C@@H](C)C(C)C ZINC000052478671 519921730 /nfs/dbraw/zinc/92/17/30/519921730.db2.gz ROVOMZONPOZQMV-RDJZCZTQSA-N 1 0 262.441 3.704 10 0 CHAERO CCC[NH2+]C[C@@H](OC(C)C)c1cccc(Cl)c1 ZINC000050483598 519921965 /nfs/dbraw/zinc/92/19/65/519921965.db2.gz NJRJZCMFUQTITQ-CQSZACIVSA-N 1 0 255.789 3.806 10 0 CHAERO CCC[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000050485043 519933178 /nfs/dbraw/zinc/93/31/78/519933178.db2.gz SEJFUMVWROCBAO-HNNXBMFYSA-N 1 0 267.800 3.807 10 0 CHAERO CCC[NH2+]C[C@H](OC(C)C)c1cccc(Cl)c1 ZINC000050483597 519933239 /nfs/dbraw/zinc/93/32/39/519933239.db2.gz NJRJZCMFUQTITQ-AWEZNQCLSA-N 1 0 255.789 3.806 10 0 CHAERO CC[NH2+]C[C@@H](Cc1cccc(OC)c1)C[C@@H](C)CC ZINC000052978415 519946504 /nfs/dbraw/zinc/94/65/04/519946504.db2.gz IPQMVDGUBDWCSV-GOEBONIOSA-N 1 0 263.425 3.900 10 0 CHAERO CCC[NH2+][C@@H](c1ccncc1)c1cc(F)ccc1C ZINC000055223221 520018358 /nfs/dbraw/zinc/01/83/58/520018358.db2.gz YYATVGNIZJFOMU-INIZCTEOSA-N 1 0 258.340 3.618 10 0 CHAERO CCC[NH2+][C@@H]1CCCc2nc(N(CC)C3CC3)sc21 ZINC000054902890 520021770 /nfs/dbraw/zinc/02/17/70/520021770.db2.gz GNIHHWQZTCTRTF-GFCCVEGCSA-N 1 0 279.453 3.509 10 0 CHAERO CCC[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1Cl ZINC000050503228 520022969 /nfs/dbraw/zinc/02/29/69/520022969.db2.gz VCCDLZABSZYIAX-CABCVRRESA-N 1 0 267.800 3.777 10 0 CHAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1n1ccnc1C ZINC000054555856 520024656 /nfs/dbraw/zinc/02/46/56/520024656.db2.gz OHQZAEZVFYMKDC-OAGGEKHMSA-N 1 0 263.429 3.557 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccccc2Cl)nc1C ZINC000052330363 520029840 /nfs/dbraw/zinc/02/98/40/520029840.db2.gz BNSCXFOONLFITD-UHFFFAOYSA-N 1 0 266.797 3.881 10 0 CHAERO CCC[NH2+][C@H](CC)c1cccc(-c2cncnc2)c1 ZINC000052886583 520069734 /nfs/dbraw/zinc/06/97/34/520069734.db2.gz OMRLBNTUSHIQLY-MRXNPFEDSA-N 1 0 255.365 3.594 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(-c2cc(F)ccc2F)o1 ZINC000052924453 520075215 /nfs/dbraw/zinc/07/52/15/520075215.db2.gz UCGDLOJCSQJXLB-VIFPVBQESA-N 1 0 251.276 3.895 10 0 CHAERO CCC[NH2+][C@H](COCCC)c1ccc(F)cc1C ZINC000055227742 520082839 /nfs/dbraw/zinc/08/28/39/520082839.db2.gz NVPPWJRIXCAHFI-OAHLLOKOSA-N 1 0 253.361 3.601 10 0 CHAERO CCC[NH2+][C@H]1CCCC[C@@H]1n1ncc2ccccc21 ZINC000050525628 520091854 /nfs/dbraw/zinc/09/18/54/520091854.db2.gz ONLUGFCBPGKGKP-HOCLYGCPSA-N 1 0 257.381 3.520 10 0 CHAERO CC[NH2+][C@@H](Cc1cccnc1)c1cc(C)cc(C)c1 ZINC000053131865 520106187 /nfs/dbraw/zinc/10/61/87/520106187.db2.gz ALCZLAKDYPWMJJ-KRWDZBQOSA-N 1 0 254.377 3.592 10 0 CHAERO CC[NH2+][C@@H](Cc1csc(C)n1)c1cc(C)cc(C)c1 ZINC000055295448 520106587 /nfs/dbraw/zinc/10/65/87/520106587.db2.gz GIMZVDYOGPXBQX-INIZCTEOSA-N 1 0 274.433 3.962 10 0 CHAERO CC[NH2+][C@@H]1CCCC[C@@H]1CCCOCC(F)(F)F ZINC000049312864 520116656 /nfs/dbraw/zinc/11/66/56/520116656.db2.gz MYWMJENIBVHXQI-VXGBXAGGSA-N 1 0 267.335 3.514 10 0 CHAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1OC1CCC1 ZINC000050519875 520127120 /nfs/dbraw/zinc/12/71/20/520127120.db2.gz XZBXPCKWXMTXEA-DLBZAZTESA-N 1 0 259.393 3.611 10 0 CHAERO CCCCCN(C)c1ncc([C@@H](C)[NH2+]CCC)s1 ZINC000054903081 520154508 /nfs/dbraw/zinc/15/45/08/520154508.db2.gz PSNJVDQXAPTWLK-GFCCVEGCSA-N 1 0 269.458 3.830 10 0 CHAERO CCCCCN(c1ccc(C[NH2+]CC)cn1)C(C)C ZINC000051490915 520176790 /nfs/dbraw/zinc/17/67/90/520176790.db2.gz AQZPAAHEXKYYHA-UHFFFAOYSA-N 1 0 263.429 3.596 10 0 CHAERO CC[NH2+][C@H](C)c1nc2cc(Cl)ccc2n1C(C)C ZINC000062366503 520182014 /nfs/dbraw/zinc/18/20/14/520182014.db2.gz JLGKHGIBXXLAQV-SNVBAGLBSA-N 1 0 265.788 3.941 10 0 CHAERO CC[NH2+][C@H](Cc1cccs1)c1ccc2c(c1)CCO2 ZINC000050892335 520203979 /nfs/dbraw/zinc/20/39/79/520203979.db2.gz OHLUIVUGFORBCJ-OAHLLOKOSA-N 1 0 273.401 3.576 10 0 CHAERO CCCCC[NH2+]CCSc1ccc(F)c(F)c1 ZINC000053620743 520224562 /nfs/dbraw/zinc/22/45/62/520224562.db2.gz GFRPMFGGWIAUJH-UHFFFAOYSA-N 1 0 259.365 3.837 10 0 CHAERO CCN(C)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000054109955 520238446 /nfs/dbraw/zinc/23/84/46/520238446.db2.gz STVFITNKTMGRQD-AWEZNQCLSA-N 1 0 262.441 3.586 10 0 CHAERO CCCCCO[C@@H](C[NH2+]C1CC1)c1cccc(C)c1 ZINC000050500885 520246134 /nfs/dbraw/zinc/24/61/34/520246134.db2.gz IOTXARHUCJMTOM-KRWDZBQOSA-N 1 0 261.409 3.995 10 0 CHAERO CCO[C@@H](C[NH2+]C(C)(C)C)c1cccc(Cl)c1 ZINC000050482143 520314166 /nfs/dbraw/zinc/31/41/66/520314166.db2.gz WRQQDOOWNYMYCJ-ZDUSSCGKSA-N 1 0 255.789 3.806 10 0 CHAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1ccncc1 ZINC000126157893 520414271 /nfs/dbraw/zinc/41/42/71/520414271.db2.gz ZXSVSIKFROYBKR-KRWDZBQOSA-N 1 0 266.388 3.885 10 0 CHAERO CCCCN(c1nc2c(s1)[C@@H]([NH3+])CCC2)[C@@H](C)CC ZINC000054898804 520554215 /nfs/dbraw/zinc/55/42/15/520554215.db2.gz CJDZUDDWIXIFTI-RYUDHWBXSA-N 1 0 281.469 3.884 10 0 CHAERO CCCC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705192 520599073 /nfs/dbraw/zinc/59/90/73/520599073.db2.gz WPCTVBRMUJORIU-MOPGFXCFSA-N 1 0 288.479 3.718 10 0 CHAERO CCC[C@@H](C[NH2+]C)Cc1cccc(C(F)(F)F)c1 ZINC000052968915 520707630 /nfs/dbraw/zinc/70/76/30/520707630.db2.gz PQIPRFMQUWUOLG-GFCCVEGCSA-N 1 0 259.315 3.884 10 0 CHAERO CC1([NH2+]CCOc2ccc(Br)cc2)CCCC1 ZINC000049596110 520766290 /nfs/dbraw/zinc/76/62/90/520766290.db2.gz GTBJUOOSHIJQOZ-UHFFFAOYSA-N 1 0 298.224 3.750 10 0 CHAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)Oc1cccc(F)c1F ZINC000062613398 520770809 /nfs/dbraw/zinc/77/08/09/520770809.db2.gz JYGTUMBLIDFGHK-CHWSQXEVSA-N 1 0 271.351 3.900 10 0 CHAERO CCC[C@@H]([NH2+]CCc1ccccn1)c1cccs1 ZINC000049544411 520774998 /nfs/dbraw/zinc/77/49/98/520774998.db2.gz INQVMMCXZKAPBN-CQSZACIVSA-N 1 0 260.406 3.817 10 0 CHAERO CCCCOCCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000049261586 520792012 /nfs/dbraw/zinc/79/20/12/520792012.db2.gz QNGOMNINZFDNCM-UHFFFAOYSA-N 1 0 292.206 3.648 10 0 CHAERO CC1CCC([NH3+])(Cc2c(F)cccc2Cl)CC1 ZINC000049346426 520938295 /nfs/dbraw/zinc/93/82/95/520938295.db2.gz AARMOMZXRDJZSH-UHFFFAOYSA-N 1 0 255.764 3.929 10 0 CHAERO CCC[C@H](C)COc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746277 521020397 /nfs/dbraw/zinc/02/03/97/521020397.db2.gz INJVIIIVVYJVBL-RYUDHWBXSA-N 1 0 253.361 3.921 10 0 CHAERO CCOc1ccc([C@H](C[NH3+])Nc2ccc(C)cc2)cc1 ZINC000057565593 521262503 /nfs/dbraw/zinc/26/25/03/521262503.db2.gz NMHVBABFUZFCEJ-KRWDZBQOSA-N 1 0 270.376 3.506 10 0 CHAERO CCOc1ccc([C@H](C[NH3+])Nc2ccccc2C)cc1 ZINC000057565583 521262606 /nfs/dbraw/zinc/26/26/06/521262606.db2.gz ACFCXXRYAMOJPZ-KRWDZBQOSA-N 1 0 270.376 3.506 10 0 CHAERO CCC(CC)(C[NH2+]CCOC)Cc1ccc(C)cc1 ZINC000054658983 521442966 /nfs/dbraw/zinc/44/29/66/521442966.db2.gz BWJORRSJPNGRPK-UHFFFAOYSA-N 1 0 263.425 3.580 10 0 CHAERO CCC(CC)(c1ncc(C[NH2+]C)s1)c1ccccc1 ZINC000062784007 521479856 /nfs/dbraw/zinc/47/98/56/521479856.db2.gz KDPNPKPMEBOHER-UHFFFAOYSA-N 1 0 274.433 3.969 10 0 CHAERO CCN(c1cccc(Cl)c1C(N)=[NH2+])C1CCCCC1 ZINC000052904735 521496235 /nfs/dbraw/zinc/49/62/35/521496235.db2.gz LXZQDTLBJHFCQW-UHFFFAOYSA-N 1 0 279.815 3.783 10 0 CHAERO CCC(CC)CN(CC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052540749 521523244 /nfs/dbraw/zinc/52/32/44/521523244.db2.gz DUGSARUKGOXWPQ-KRWDZBQOSA-N 1 0 262.441 3.705 10 0 CHAERO CCCc1nc(N2CCC(C)CC2)sc1C[NH2+]C(C)C ZINC000054995089 521531175 /nfs/dbraw/zinc/53/11/75/521531175.db2.gz RCCJQUAJEYJRDA-UHFFFAOYSA-N 1 0 295.496 3.830 10 0 CHAERO CCOc1ccccc1[C@H]([NH3+])c1ccc(F)c(C)c1 ZINC000055240701 521588414 /nfs/dbraw/zinc/58/84/14/521588414.db2.gz KEBMGLSADZTSQC-MRXNPFEDSA-N 1 0 259.324 3.581 10 0 CHAERO CCCN(CCC)c1nc(C)c(C[NH2+]CC(C)C)s1 ZINC000054995914 521651244 /nfs/dbraw/zinc/65/12/44/521651244.db2.gz BCHQQHCBSVEHEP-UHFFFAOYSA-N 1 0 283.485 3.824 10 0 CHAERO CC[C@H](C)O[C@H](C[NH2+]C(C)C)c1ccccc1F ZINC000050484792 521758495 /nfs/dbraw/zinc/75/84/95/521758495.db2.gz QTJLPBVVHOFMQS-SWLSCSKDSA-N 1 0 253.361 3.680 10 0 CHAERO C[NH2+]Cc1sc(C23CC4CC(CC(C4)C2)C3)nc1C ZINC000055270769 522165446 /nfs/dbraw/zinc/16/54/46/522165446.db2.gz FETIYMIXYSKLKV-UHFFFAOYSA-N 1 0 276.449 3.639 10 0 CHAERO CC[C@H](C[NH2+]C(C)(C)C)Oc1ccc(Cl)cc1 ZINC000052664963 522188620 /nfs/dbraw/zinc/18/86/20/522188620.db2.gz AMXAXMIJDGGVNT-GFCCVEGCSA-N 1 0 255.789 3.886 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(Sc2nnc(C)s2)c(Cl)c1 ZINC000061700246 522334117 /nfs/dbraw/zinc/33/41/17/522334117.db2.gz HEGJOBVALBPWGP-ZETCQYMHSA-N 1 0 299.852 3.932 10 0 CHAERO C[NH2+][C@@H](c1ccccc1OC(F)(F)F)C(C)(C)C ZINC000055224479 522372934 /nfs/dbraw/zinc/37/29/34/522372934.db2.gz RAOPYGKPXIZKBC-NSHDSACASA-N 1 0 261.287 3.892 10 0 CHAERO CCc1nc([C@@](CC)([NH2+]CCOC)C(C)C)sc1C ZINC000053291552 522440832 /nfs/dbraw/zinc/44/08/32/522440832.db2.gz BDZCOOFDDRLVJV-HNNXBMFYSA-N 1 0 284.469 3.511 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccccc2COC)s1 ZINC000049511089 522447857 /nfs/dbraw/zinc/44/78/57/522447857.db2.gz HUMUHVGTRVFFID-LLVKDONJSA-N 1 0 261.390 3.842 10 0 CHAERO C[NH2+][C@H](C)c1cnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000055270679 522453264 /nfs/dbraw/zinc/45/32/64/522453264.db2.gz GYKREIUZYVZUCJ-GYPVXTSCSA-N 1 0 276.449 3.891 10 0 CHAERO C[NH2+][C@H](c1ccc(F)c(F)c1)c1ccc(F)cc1C ZINC000055223385 522480615 /nfs/dbraw/zinc/48/06/15/522480615.db2.gz SJWLYHUUHUGXQG-OAHLLOKOSA-N 1 0 265.278 3.721 10 0 CHAERO CNc1c2c([nH+]c3c(Br)cc(C)cc13)CCC2 ZINC000050869552 522546528 /nfs/dbraw/zinc/54/65/28/522546528.db2.gz YSWHDADWZONKPF-UHFFFAOYSA-N 1 0 291.192 3.836 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Sc1nccc(C)n1)c1sccc1C ZINC000051331443 522654014 /nfs/dbraw/zinc/65/40/14/522654014.db2.gz JCOJPEBNZQXDCS-YPMHNXCESA-N 1 0 293.461 3.726 10 0 CHAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)n1nc(C)c(Cl)c1C ZINC000050586261 522655810 /nfs/dbraw/zinc/65/58/10/522655810.db2.gz XUERPDASLZGCSI-DGCLKSJQSA-N 1 0 297.855 3.850 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000049127487 522736195 /nfs/dbraw/zinc/73/61/95/522736195.db2.gz OBXZMYOWTMXHIA-OCCSQVGLSA-N 1 0 295.423 3.798 10 0 CHAERO CCc1sc([C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000053251189 523079121 /nfs/dbraw/zinc/07/91/21/523079121.db2.gz MNTDCGJZGIABDM-GFCCVEGCSA-N 1 0 258.390 3.797 10 0 CHAERO COCCCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000103226665 523108736 /nfs/dbraw/zinc/10/87/36/523108736.db2.gz MGWTUFDCHYLVFG-UHFFFAOYSA-N 1 0 265.397 3.841 10 0 CHAERO CN(Cc1cccc(F)c1)c1cc(Cl)ccc1C[NH3+] ZINC000062786761 523314695 /nfs/dbraw/zinc/31/46/95/523314695.db2.gz VPPOOQXUNRHSQV-UHFFFAOYSA-N 1 0 278.758 3.574 10 0 CHAERO CN(c1nc2ccccc2s1)c1ccc(C[NH3+])cc1 ZINC000061950819 523667467 /nfs/dbraw/zinc/66/74/67/523667467.db2.gz HKHJACHCCRZBNO-UHFFFAOYSA-N 1 0 269.373 3.523 10 0 CHAERO CC[C@@](C[NH2+]C)(Cc1cccs1)c1ccccc1 ZINC000054659085 523685044 /nfs/dbraw/zinc/68/50/44/523685044.db2.gz ISBPXJNUROSZTK-INIZCTEOSA-N 1 0 259.418 3.858 10 0 CHAERO CC[C@H](C(=O)c1ccccc1)[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050565952 523817843 /nfs/dbraw/zinc/81/78/43/523817843.db2.gz BJLHAGOWIBCVDQ-OFQRWUPVSA-N 1 0 259.393 3.768 10 0 CHAERO CCc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)o1 ZINC000051724651 523944486 /nfs/dbraw/zinc/94/44/86/523944486.db2.gz QIVUPZFTGGKXLL-LBPRGKRZSA-N 1 0 289.375 3.710 10 0 CHAERO CCc1ccc(C[C@@]2(C[NH2+]CC(C)C)CCOC2)s1 ZINC000054665895 523951147 /nfs/dbraw/zinc/95/11/47/523951147.db2.gz TVBRFSLWRXJRTN-MRXNPFEDSA-N 1 0 281.465 3.505 10 0 CHAERO CO[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000050371003 523987316 /nfs/dbraw/zinc/98/73/16/523987316.db2.gz ZDKILRJTQOZBKS-GDVJOBBMSA-N 1 0 279.811 3.743 10 0 CHAERO CCc1ccc([C@@H]2CC[NH2+][C@H]2Cc2ccccc2)o1 ZINC000054686909 524039090 /nfs/dbraw/zinc/03/90/90/524039090.db2.gz AYRPIPJOGFGQQV-CVEARBPZSA-N 1 0 255.361 3.530 10 0 CHAERO COc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000282214448 524069638 /nfs/dbraw/zinc/06/96/38/524069638.db2.gz MGPFWSCRMKJZFJ-VXGBXAGGSA-N 1 0 297.826 3.642 10 0 CHAERO COc1ccc(C[C@@H]([NH3+])C2CCCC2)cc1Br ZINC000049599795 524139724 /nfs/dbraw/zinc/13/97/24/524139724.db2.gz PVHJAMYUKPXSCA-CYBMUJFWSA-N 1 0 298.224 3.518 10 0 CHAERO COc1cccc([C@H]([NH3+])C(C)(C)c2ccccc2)c1 ZINC000062773207 524161619 /nfs/dbraw/zinc/16/16/19/524161619.db2.gz HNZYVTRYPZDNQR-INIZCTEOSA-N 1 0 255.361 3.673 10 0 CHAERO C[C@H](CC[NH+](C)C)Nc1nc2cc(Cl)ccc2s1 ZINC000049559129 524169791 /nfs/dbraw/zinc/16/97/91/524169791.db2.gz MMDDQTVIAUSSBK-SECBINFHSA-N 1 0 283.828 3.702 10 0 CHAERO Cc1cccc(C2CC([NH2+][C@@H](C)C3CCOCC3)C2)c1 ZINC000154256408 524335924 /nfs/dbraw/zinc/33/59/24/524335924.db2.gz UJDIHTGSMKIRLM-NNGSBXSVSA-N 1 0 273.420 3.646 10 0 CHAERO Cc1cccc(CN(C)c2ccc(Cl)cc2C[NH3+])c1 ZINC000052857003 524378108 /nfs/dbraw/zinc/37/81/08/524378108.db2.gz ZGDDISQXYRGOFY-UHFFFAOYSA-N 1 0 274.795 3.744 10 0 CHAERO C[C@@H](CCC[NH2+]C(C)(C)C)n1cnc2ccccc21 ZINC000052576409 524459128 /nfs/dbraw/zinc/45/91/28/524459128.db2.gz OKNWKYFUGOFEQY-ZDUSSCGKSA-N 1 0 259.397 3.766 10 0 CHAERO C[C@H](C[NH2+]C1CCCC1)Sc1ccc(F)cc1 ZINC000053607072 524481974 /nfs/dbraw/zinc/48/19/74/524481974.db2.gz YPHSDTRHELONBJ-LLVKDONJSA-N 1 0 253.386 3.839 10 0 CHAERO COc1ccccc1N[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000057593831 524647544 /nfs/dbraw/zinc/64/75/44/524647544.db2.gz RMILVSZUVMZJNT-QGZVFWFLSA-N 1 0 284.403 3.931 10 0 CHAERO Cc1ccc(N(C)c2cccc(Cl)c2C(N)=[NH2+])cc1 ZINC000052906153 524890298 /nfs/dbraw/zinc/89/02/98/524890298.db2.gz OOYHFEGJSYXTOO-UHFFFAOYSA-N 1 0 273.767 3.700 10 0 CHAERO COc1ccc(OC/C=C/Cl)c(C[NH2+]CC(C)C)c1 ZINC000062727635 524926356 /nfs/dbraw/zinc/92/63/56/524926356.db2.gz XVDPULPCYPVUQV-QPJJXVBHSA-N 1 0 283.799 3.572 10 0 CHAERO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C(C)(C)C[NH2+]1 ZINC000062673235 524995304 /nfs/dbraw/zinc/99/53/04/524995304.db2.gz ZHBOAXRWHLYBCW-SNVBAGLBSA-N 1 0 287.234 3.566 10 0 CHAERO C[C@@H]1CN(Cc2cccc(Cl)c2)c2ccccc2C[NH2+]1 ZINC000062673112 525002204 /nfs/dbraw/zinc/00/22/04/525002204.db2.gz ARSYXOWSBFMIDA-CYBMUJFWSA-N 1 0 286.806 3.838 10 0 CHAERO Cc1cc(F)ccc1[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792174 525005296 /nfs/dbraw/zinc/00/52/96/525005296.db2.gz XGQROPIGUHJLJG-AWEZNQCLSA-N 1 0 267.706 3.975 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2cc(C)sc2C)cc1F ZINC000061668838 525192578 /nfs/dbraw/zinc/19/25/78/525192578.db2.gz YNSXSVKSHIJVCN-CQSZACIVSA-N 1 0 265.353 3.561 10 0 CHAERO Cc1cccnc1[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055227033 525551479 /nfs/dbraw/zinc/55/14/79/525551479.db2.gz MUTXFPLBGJLKOF-GFCCVEGCSA-N 1 0 267.159 3.745 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc(Cl)cc1 ZINC000049525518 525606120 /nfs/dbraw/zinc/60/61/20/525606120.db2.gz YZUBHRZIFKBTAE-CQDKDKBSSA-N 1 0 267.800 3.684 10 0 CHAERO C[C@@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)c1ncc[nH]1 ZINC000138899088 525656161 /nfs/dbraw/zinc/65/61/61/525656161.db2.gz JBXZGPOTZCBRQB-IUODEOHRSA-N 1 0 269.392 3.774 10 0 CHAERO COc1cccc(-c2ncc(C[NH2+]C(C)(C)C)s2)c1 ZINC000052331457 525729829 /nfs/dbraw/zinc/72/98/29/525729829.db2.gz KZGPKGWHZCWWCJ-UHFFFAOYSA-N 1 0 276.405 3.707 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCO3)o1 ZINC000037280765 525742505 /nfs/dbraw/zinc/74/25/05/525742505.db2.gz SACBLAKAXFTUFV-QWHCGFSZSA-N 1 0 271.360 3.935 10 0 CHAERO C[C@@]([NH3+])(c1cccc(Cl)c1)c1cc(F)ccc1F ZINC000055242733 525751224 /nfs/dbraw/zinc/75/12/24/525751224.db2.gz IYZVNSOWVLSDMT-CQSZACIVSA-N 1 0 267.706 3.840 10 0 CHAERO Cc1ccc([C@@H]([NH3+])Cc2cccc(Cl)c2)s1 ZINC000052944416 525766620 /nfs/dbraw/zinc/76/66/20/525766620.db2.gz NDSNAZPDHOPQGB-LBPRGKRZSA-N 1 0 251.782 3.952 10 0 CHAERO Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156638574 525776374 /nfs/dbraw/zinc/77/63/74/525776374.db2.gz TUUPGCDULKFOQS-UHFFFAOYSA-N 1 0 286.762 3.504 10 0 CHAERO Cc1cn(CC[NH2+]Cc2cccs2)c2ccccc12 ZINC000053531591 525909568 /nfs/dbraw/zinc/90/95/68/525909568.db2.gz JLHLKJICUSWBKS-UHFFFAOYSA-N 1 0 270.401 3.801 10 0 CHAERO Cc1cn(CC[NH2+]CC2CCCC2)c2ccccc12 ZINC000053531700 525910516 /nfs/dbraw/zinc/91/05/16/525910516.db2.gz FLSCHRBIDVMYNU-UHFFFAOYSA-N 1 0 256.393 3.730 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCO3)o1 ZINC000037280767 525934065 /nfs/dbraw/zinc/93/40/65/525934065.db2.gz SACBLAKAXFTUFV-STQMWFEESA-N 1 0 271.360 3.935 10 0 CHAERO COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2C)n1 ZINC000223212248 526036039 /nfs/dbraw/zinc/03/60/39/526036039.db2.gz PLYDWEYCRGZMSK-CQSZACIVSA-N 1 0 270.376 3.558 10 0 CHAERO Cc1nn([C@@H](c2ccccc2Cl)[C@@H](C)[NH3+])c(C)c1Cl ZINC000050586076 526302878 /nfs/dbraw/zinc/30/28/78/526302878.db2.gz JKYRUNIPAVIJDD-XLKFXECMSA-N 1 0 298.217 3.743 10 0 CHAERO Cc1nn([C@H](c2ccccc2Cl)[C@@H](C)[NH3+])c(C)c1Cl ZINC000050586078 526306515 /nfs/dbraw/zinc/30/65/15/526306515.db2.gz JKYRUNIPAVIJDD-CLAHSXSESA-N 1 0 298.217 3.743 10 0 CHAERO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000157019706 526349025 /nfs/dbraw/zinc/34/90/25/526349025.db2.gz ROVREXGQSQAREX-NSHDSACASA-N 1 0 294.370 3.801 10 0 CHAERO Fc1ccc(F)c([C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC000054683545 526351143 /nfs/dbraw/zinc/35/11/43/526351143.db2.gz CKFDAXILTQQEAB-BBRMVZONSA-N 1 0 259.299 3.783 10 0 CHAERO Cc1nc(-c2c(F)cccc2F)sc1C[NH2+]C(C)C ZINC000052330660 526559680 /nfs/dbraw/zinc/55/96/80/526559680.db2.gz GAWXTGIKSRXJTC-UHFFFAOYSA-N 1 0 282.359 3.895 10 0 CHAERO Cc1nc(-c2ccc(C)cc2F)sc1[C@H](C)[NH3+] ZINC000051596204 526567791 /nfs/dbraw/zinc/56/77/91/526567791.db2.gz HQMDEDFLMOAMKB-QMMMGPOBSA-N 1 0 250.342 3.586 10 0 CHAERO Cc1nc(-c2cccs2)sc1C[NH2+]CC(C)C ZINC000052331243 526617946 /nfs/dbraw/zinc/61/79/46/526617946.db2.gz BFDUOMSVDKEIPQ-UHFFFAOYSA-N 1 0 266.435 3.926 10 0 CHAERO Clc1cc2nc([C@@H]3CCC[NH2+]3)oc2c(Cl)c1 ZINC000062537937 526932584 /nfs/dbraw/zinc/93/25/84/526932584.db2.gz YAIIQMAPEOPCGF-QMMMGPOBSA-N 1 0 257.120 3.559 10 0 CHAERO [NH3+]Cc1ccc(-c2cc(C(F)(F)F)ccc2F)o1 ZINC000062658144 527250049 /nfs/dbraw/zinc/25/00/49/527250049.db2.gz WJXYQJJZBJVEKV-UHFFFAOYSA-N 1 0 259.202 3.563 10 0 CHAERO Cn1cc([C@H]2CC[N@H+](Cc3cc4ccccc4s3)C2)cn1 ZINC000128398224 527319865 /nfs/dbraw/zinc/31/98/65/527319865.db2.gz YOXNNWGKOQINQB-AWEZNQCLSA-N 1 0 297.427 3.624 10 0 CHAERO [NH3+][C@H](Cc1cccc(F)c1F)c1ccc(F)c(Cl)c1 ZINC000062792256 527387991 /nfs/dbraw/zinc/38/79/91/527387991.db2.gz LHHHCLFXXLAOJK-CYBMUJFWSA-N 1 0 285.696 4.000 10 0 CHAERO FC(F)Oc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070300 527696336 /nfs/dbraw/zinc/69/63/36/527696336.db2.gz ZZPRVOPGJXRVAI-AWEZNQCLSA-N 1 0 291.297 3.511 10 0 CHAERO CC[C@H]1CN(c2ccc(SC)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083587509 536161413 /nfs/dbraw/zinc/16/14/13/536161413.db2.gz KQWNAVIDUOPGIR-BBRMVZONSA-N 1 0 278.465 3.621 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(N)ccc2Br)C1 ZINC000128344850 570369248 /nfs/dbraw/zinc/36/92/48/570369248.db2.gz CXOCMRKYCQTQCR-PHIMTYICSA-N 1 0 297.240 3.509 10 0 CHAERO c1ccc2c(c1)NC13CCC4(CCC[N@@H+]5CC[C@]21[C@@H]54)CC3 ZINC000014857171 560227182 /nfs/dbraw/zinc/22/71/82/560227182.db2.gz BIBZWCCWSCCFBB-MKCYZYCBSA-N 1 0 280.415 3.531 10 0 in-vitro CHAERO C[C@@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1ccco1 ZINC000101648995 566925538 /nfs/dbraw/zinc/92/55/38/566925538.db2.gz HECRTIIJPYRXOR-ZQIUZPCESA-N 1 0 289.419 3.955 10 0 CHAERO Cc1[nH+]ccc(N2CCC[C@@H](C)[C@H]2C)c1Br ZINC000669379418 566950774 /nfs/dbraw/zinc/95/07/74/566950774.db2.gz ABCQSKDDUITXDP-MWLCHTKSSA-N 1 0 283.213 3.777 10 0 CHAERO Brc1ccc([C@H]2[NH2+]CCc3sccc32)cc1 ZINC000084704907 567032529 /nfs/dbraw/zinc/03/25/29/567032529.db2.gz QHMLCOYOOMFHHT-CYBMUJFWSA-N 1 0 294.217 3.746 10 0 CHAERO CCOc1c(C[NH2+]CCC(C)C)cc(Cl)cc1OC ZINC000013724519 567867410 /nfs/dbraw/zinc/86/74/10/567867410.db2.gz XQEHBSVUHZNXCW-UHFFFAOYSA-N 1 0 285.815 3.883 10 0 CHAERO CCCCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731587 567867414 /nfs/dbraw/zinc/86/74/14/567867414.db2.gz OHNVAIMRBHASFG-UHFFFAOYSA-N 1 0 271.364 3.549 10 0 CHAERO CCCCC[NH2+]Cc1nn(CCC)nc1-c1ccccc1 ZINC000057353311 567894864 /nfs/dbraw/zinc/89/48/64/567894864.db2.gz XAZVDWVBPRBDBO-UHFFFAOYSA-N 1 0 286.423 3.635 10 0 CHAERO CCCn1cc(C[NH2+]Cc2cccnc2)c2ccccc21 ZINC000057353288 567894920 /nfs/dbraw/zinc/89/49/20/567894920.db2.gz VBONCWVOFFIDPE-UHFFFAOYSA-N 1 0 279.387 3.736 10 0 CHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@H]1c1cccc(Br)c1 ZINC000725254460 567913522 /nfs/dbraw/zinc/91/35/22/567913522.db2.gz ULAIWKKPZCAKCF-CUOATXAZSA-N 1 0 280.209 3.693 10 0 CHAERO C[NH2+][C@H](CN(C)CCCCc1ccccc1)c1ccccc1 ZINC000725256008 567915234 /nfs/dbraw/zinc/91/52/34/567915234.db2.gz QYDIFIQDIDBNBX-HXUWFJFHSA-N 1 0 296.458 3.902 10 0 CHAERO CC[C@H](C)[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270259 567924862 /nfs/dbraw/zinc/92/48/62/567924862.db2.gz KJMAHCLTLWHFTK-ZETCQYMHSA-N 1 0 266.694 3.642 10 0 CHAERO Brc1ccc(C23CCC[NH+]2CCC3)cc1 ZINC000258048566 567930948 /nfs/dbraw/zinc/93/09/48/567930948.db2.gz RDFBATZNOGTEHE-UHFFFAOYSA-N 1 0 266.182 3.534 10 0 CHAERO Cc1ccccc1COc1ccccc1C[NH2+]C1CC1 ZINC000032115709 567955908 /nfs/dbraw/zinc/95/59/08/567955908.db2.gz QHJOOGBKAGSMRD-UHFFFAOYSA-N 1 0 267.372 3.826 10 0 CHAERO C[N@H+](Cc1c(N)cccc1Br)C1CCCCC1 ZINC000037401804 570248394 /nfs/dbraw/zinc/24/83/94/570248394.db2.gz DMIWCSFPZMTIHH-UHFFFAOYSA-N 1 0 297.240 3.796 10 0 CHAERO Brc1cccc([C@@H]2C[NH2+]CC23CCCC3)c1 ZINC000217243538 570306797 /nfs/dbraw/zinc/30/67/97/570306797.db2.gz BAGRDZLDZIAXBQ-ZDUSSCGKSA-N 1 0 280.209 3.696 10 0 CHAERO CCC1(CC)[C@H]([NH3+])[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669383864 570352850 /nfs/dbraw/zinc/35/28/50/570352850.db2.gz LRIYFHKGAVHJBV-MGPQQGTHSA-N 1 0 296.455 3.540 10 0 CHAERO Cc1oncc1C[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191689282 1125328961 /nfs/dbraw/zinc/32/89/61/1125328961.db2.gz AMPUYARBTLBEJI-LBPRGKRZSA-N 1 0 292.329 3.641 10 0 CHAERO COCc1nc(-c2ccc(C)cc2)sc1C[NH2+]C(C)C ZINC000082445331 178021514 /nfs/dbraw/zinc/02/15/14/178021514.db2.gz GSTOJPABNZEJFT-UHFFFAOYSA-N 1 0 290.432 3.763 10 0 CHAERO CCCc1nc(-c2cccs2)sc1C[NH2+]CC ZINC000082428484 178004164 /nfs/dbraw/zinc/00/41/64/178004164.db2.gz LTISPEBJBQXPIP-UHFFFAOYSA-N 1 0 266.435 3.934 10 0 CHAERO CCC[NH2+]Cc1sc(-c2ccncc2)nc1C(C)C ZINC000082429830 178007329 /nfs/dbraw/zinc/00/73/29/178007329.db2.gz ZEKGKZARMLZNMI-UHFFFAOYSA-N 1 0 275.421 3.828 10 0 CHAERO C[NH2+]Cc1sc(-c2c(F)cccc2F)nc1C(C)C ZINC000082429848 178007478 /nfs/dbraw/zinc/00/74/78/178007478.db2.gz LFXZTAVFHMUMRF-UHFFFAOYSA-N 1 0 282.359 3.931 10 0 CHAERO CCC[NH2+]Cc1sc(CC(C)C)nc1C(C)C ZINC000082430443 178008573 /nfs/dbraw/zinc/00/85/73/178008573.db2.gz UOFUXQOIKWPPTP-UHFFFAOYSA-N 1 0 254.443 3.965 10 0 CHAERO CC(C)Cc1nc(C2CC2)c(C[NH2+]C(C)C)s1 ZINC000082436298 178013828 /nfs/dbraw/zinc/01/38/28/178013828.db2.gz USFCXTSNCJVSLZ-UHFFFAOYSA-N 1 0 252.427 3.717 10 0 CHAERO C[NH2+]Cc1sc(C2CCCCC2)nc1C1CC1 ZINC000082436436 178014215 /nfs/dbraw/zinc/01/42/15/178014215.db2.gz UDTZIPHZAAAQEV-UHFFFAOYSA-N 1 0 250.411 3.788 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccc(OC)cc2)nc1C1CC1 ZINC000082436699 178014775 /nfs/dbraw/zinc/01/47/75/178014775.db2.gz BVXGHSZMFFXBRY-UHFFFAOYSA-N 1 0 288.416 3.806 10 0 CHAERO CC(C)[NH2+]Cc1sc([C@H]2CCCO2)nc1C(C)(C)C ZINC000082440112 178018685 /nfs/dbraw/zinc/01/86/85/178018685.db2.gz LFZMZIZJKKBYBS-LLVKDONJSA-N 1 0 282.453 3.790 10 0 CHAERO [NH3+]C[C@H](Oc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000095751192 185025259 /nfs/dbraw/zinc/02/52/59/185025259.db2.gz LYLQTIRDRGKBSG-AWEZNQCLSA-N 1 0 297.276 3.664 10 0 CHAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(F)cc1 ZINC000082503085 178066689 /nfs/dbraw/zinc/06/66/89/178066689.db2.gz LXJUGFDYNXQWAL-INIZCTEOSA-N 1 0 271.335 3.748 10 0 CHAERO Cc1ccc(C[NH2+][C@H](C)CSC(F)(F)F)cc1 ZINC000095918340 185030448 /nfs/dbraw/zinc/03/04/48/185030448.db2.gz AOIUJDARFUQKRL-SNVBAGLBSA-N 1 0 263.328 3.726 10 0 CHAERO Cc1ccccc1C[NH2+]CCCSC(F)(F)F ZINC000095918306 185030783 /nfs/dbraw/zinc/03/07/83/185030783.db2.gz GSHSXWWSDHTVES-UHFFFAOYSA-N 1 0 263.328 3.728 10 0 CHAERO CC(C)OC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000309331311 260153842 /nfs/dbraw/zinc/15/38/42/260153842.db2.gz HXGBHGQYTBLJBN-VHSXEESVSA-N 1 0 261.818 3.866 10 0 CHAERO C[C@H]([NH3+])c1ccc(F)c(-c2cc(F)cc(F)c2)c1 ZINC000082707000 178215358 /nfs/dbraw/zinc/21/53/58/178215358.db2.gz VSPMBPNJEDZAKH-QMMMGPOBSA-N 1 0 251.251 3.791 10 0 CHAERO COc1ccc(F)cc1-c1cc([C@H](C)[NH3+])ccc1F ZINC000082707350 178216065 /nfs/dbraw/zinc/21/60/65/178216065.db2.gz ZACWZGRMROFMTM-VIFPVBQESA-N 1 0 263.287 3.660 10 0 CHAERO [NH3+][C@@H]1C[C@H](c2ccccc2Cl)Nc2ccccc21 ZINC000097758124 185662811 /nfs/dbraw/zinc/66/28/11/185662811.db2.gz YLBQLSIXVJWGBD-UKRRQHHQSA-N 1 0 258.752 3.897 10 0 CHAERO Fc1ccc(CCCC[NH2+]C2CCCC2)c(F)c1 ZINC000098129140 185691048 /nfs/dbraw/zinc/69/10/48/185691048.db2.gz LROWSIWZGKCOCO-UHFFFAOYSA-N 1 0 253.336 3.820 10 0 CHAERO CCC[NH2+][C@@H](C)c1sc(-c2c(C)noc2C)nc1C ZINC000103747045 185857251 /nfs/dbraw/zinc/85/72/51/185857251.db2.gz HZDMOGPBXXFJPD-VIFPVBQESA-N 1 0 279.409 3.784 10 0 CHAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccc2c(c1)CCCC2 ZINC000103976100 185872768 /nfs/dbraw/zinc/87/27/68/185872768.db2.gz NNLFDTURTNZKSF-IRXDYDNUSA-N 1 0 261.409 3.850 10 0 CHAERO CCC[NH2+][C@H](CC)[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000104159901 185914242 /nfs/dbraw/zinc/91/42/42/185914242.db2.gz ZHBSQGKZNCVHMC-IUODEOHRSA-N 1 0 267.388 3.791 10 0 CHAERO c1sc2ccccc2c1COCC[C@H]1CCCC[NH2+]1 ZINC000104221826 185935919 /nfs/dbraw/zinc/93/59/19/185935919.db2.gz WYPWWMOSMLASDT-CQSZACIVSA-N 1 0 275.417 3.950 10 0 CHAERO CC[C@H]([NH3+])Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000104265528 185948362 /nfs/dbraw/zinc/94/83/62/185948362.db2.gz VYEJRSUJDDOMQI-AWEZNQCLSA-N 1 0 274.433 3.664 10 0 CHAERO Cc1ccc([C@@H](O)[C@H](C)[N@H+](C)CC2CCCC2)cc1 ZINC000104347891 185978099 /nfs/dbraw/zinc/97/80/99/185978099.db2.gz GFZXGJVMKJCCLK-YOEHRIQHSA-N 1 0 261.409 3.539 10 0 CHAERO CCC(CC)[C@H](C)[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000104440865 186002756 /nfs/dbraw/zinc/00/27/56/186002756.db2.gz ZAAUIDZXHWNDPH-NSHDSACASA-N 1 0 258.365 3.765 10 0 CHAERO C[C@H]([NH3+])c1cccc(NC(=O)C[C@H](C)C(C)(C)C)c1 ZINC000104446632 186005082 /nfs/dbraw/zinc/00/50/82/186005082.db2.gz KXIGCNUWEJWSCP-RYUDHWBXSA-N 1 0 262.397 3.717 10 0 CHAERO C[C@@H]([NH3+])c1cccc(NC(=O)C[C@@H](C)C(C)(C)C)c1 ZINC000104446628 186005383 /nfs/dbraw/zinc/00/53/83/186005383.db2.gz KXIGCNUWEJWSCP-VXGBXAGGSA-N 1 0 262.397 3.717 10 0 CHAERO CCCCCC[C@@](C)(C[NH3+])N(C)Cc1scnc1C ZINC000104449322 186006278 /nfs/dbraw/zinc/00/62/78/186006278.db2.gz VMVFSDHASQBFOV-HNNXBMFYSA-N 1 0 283.485 3.571 10 0 CHAERO CC[NH2+]Cc1sc(-c2cc(F)ccc2F)nc1C ZINC000111238391 186373414 /nfs/dbraw/zinc/37/34/14/186373414.db2.gz KEMVFRVEVDTHFG-UHFFFAOYSA-N 1 0 268.332 3.506 10 0 CHAERO FC(F)(F)Oc1ccc(Cl)c([C@@H]2CCC[NH2+]C2)c1 ZINC000216077564 189700439 /nfs/dbraw/zinc/70/04/39/189700439.db2.gz PHGAJOZPKAONPM-MRVPVSSYSA-N 1 0 279.689 3.706 10 0 CHAERO C[C@H]([NH3+])c1ccc(N2c3ccccc3C[C@H]2C)cc1 ZINC000019872307 184535053 /nfs/dbraw/zinc/53/50/53/184535053.db2.gz PIERCIUPGKFFPB-OLZOCXBDSA-N 1 0 252.361 3.789 10 0 CHAERO CC1=NN(c2ccccc2)[C@H]2c3ccccc3[N+](=O)C(C)[C@@H]12 ZINC000000162198 134521290 /nfs/dbraw/zinc/52/12/90/134521290.db2.gz BWMMOELXELJKRE-MSOLQXFVSA-N 1 0 291.354 3.856 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(C)cc1C ZINC000083441709 135021962 /nfs/dbraw/zinc/02/19/62/135021962.db2.gz MIYBSKYDJFWRBO-JKSUJKDBSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1CN(c2ccc(C)cc2C)[C@H](C(C)C)C[NH2+]1 ZINC000083441833 135021999 /nfs/dbraw/zinc/02/19/99/135021999.db2.gz QZWWAMDDIDCGQA-RDJZCZTQSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cccc(Cl)c1 ZINC000083493783 135024668 /nfs/dbraw/zinc/02/46/68/135024668.db2.gz QSFWZRRFJWXVPN-HIFRSBDPSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@@H]1CN(c2cc(Cl)cc(Cl)c2)[C@H](C)C[NH2+]1 ZINC000083536426 135027071 /nfs/dbraw/zinc/02/70/71/135027071.db2.gz XJVPPDNZQNJGKW-BXKDBHETSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(Cl)cc1Cl ZINC000083536481 135027842 /nfs/dbraw/zinc/02/78/42/135027842.db2.gz FUELPFNDEKPBMD-MWLCHTKSSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H]1CN(c2ccc(C(C)(C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC000083541888 135028089 /nfs/dbraw/zinc/02/80/89/135028089.db2.gz LWNOXRUUVPOPNH-CVEARBPZSA-N 1 0 274.452 3.951 10 0 CHAERO CCCCc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083541853 135028113 /nfs/dbraw/zinc/02/81/13/135028113.db2.gz BTQBVPJOEJVTAM-YJBOKZPZSA-N 1 0 274.452 3.852 10 0 CHAERO CCc1cccc(CC)c1NC(=O)C[NH2+]C1CCCCC1 ZINC000004996624 170052074 /nfs/dbraw/zinc/05/20/74/170052074.db2.gz XOCQDFXARQFEBY-UHFFFAOYSA-N 1 0 288.435 3.672 10 0 CHAERO CCC[NH+](CCC)[C@H]1CCCc2c(O)cccc2C1 ZINC000005833055 170145021 /nfs/dbraw/zinc/14/50/21/170145021.db2.gz FDQAYOHCSPSZJR-HNNXBMFYSA-N 1 0 261.409 3.762 10 0 CHAERO CC(C)C[NH2+]Cc1noc2c1CSc1ccccc1-2 ZINC000006724944 170232298 /nfs/dbraw/zinc/23/22/98/170232298.db2.gz ZIYZXYBGGHXGPR-UHFFFAOYSA-N 1 0 274.389 3.693 10 0 CHAERO CCCCCCn1c2ccccc2nc1NCC[NH+](C)C ZINC000006856498 170249745 /nfs/dbraw/zinc/24/97/45/170249745.db2.gz VKWZVSQPACVXQL-UHFFFAOYSA-N 1 0 288.439 3.590 10 0 CHAERO [NH3+]C[C@H](Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000011588103 170423166 /nfs/dbraw/zinc/42/31/66/170423166.db2.gz WSIFBKGQXQLRRY-ZDUSSCGKSA-N 1 0 263.743 3.764 10 0 CHAERO [NH3+]C[C@@H](Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000011588332 170423523 /nfs/dbraw/zinc/42/35/23/170423523.db2.gz ZQBQCZJDOIMNMP-CYBMUJFWSA-N 1 0 263.743 3.764 10 0 CHAERO CC(C)c1ccc(-c2nc(C[C@H](C)[NH3+])cs2)cc1 ZINC000011595539 170424585 /nfs/dbraw/zinc/42/45/85/170424585.db2.gz QRMVPNMDPDJFRS-NSHDSACASA-N 1 0 260.406 3.823 10 0 CHAERO CCc1ccc([C@H](CC[NH2+]C)c2ccccc2)cc1 ZINC000011630276 170429137 /nfs/dbraw/zinc/42/91/37/170429137.db2.gz UXKWUQCSBCULJS-GOSISDBHSA-N 1 0 253.389 3.990 10 0 CHAERO CCC1=[NH+]Cc2ccccc2[C@H](c2ccccc2)N1 ZINC000013600272 170567613 /nfs/dbraw/zinc/56/76/13/170567613.db2.gz IXYUPUSBBCCQKY-KRWDZBQOSA-N 1 0 250.345 3.688 10 0 CHAERO CC[C@@H]([NH3+])c1ccccc1OCc1ccccc1F ZINC000019407394 170787732 /nfs/dbraw/zinc/78/77/32/170787732.db2.gz XYOUMSYHXHPCSQ-OAHLLOKOSA-N 1 0 259.324 3.815 10 0 CHAERO COc1ccc([C@@H]([NH3+])C(C)(C)c2ccccc2)cc1OC ZINC000019415653 170791731 /nfs/dbraw/zinc/79/17/31/170791731.db2.gz XHHZFYSVIDCIIK-QGZVFWFLSA-N 1 0 285.387 3.681 10 0 CHAERO CC(C)c1ccccc1OCc1ccc(C(N)=[NH2+])cc1 ZINC000019432488 170798210 /nfs/dbraw/zinc/79/82/10/170798210.db2.gz RGKYPROCLAWWLS-UHFFFAOYSA-N 1 0 268.360 3.673 10 0 CHAERO [NH3+]C[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000019670925 170835500 /nfs/dbraw/zinc/83/55/00/170835500.db2.gz VWBUIIKDZJIYQL-AWEZNQCLSA-N 1 0 265.715 3.558 10 0 CHAERO NC(=[NH2+])CCN(Cc1cccc(Cl)c1)c1ccccc1 ZINC000019808562 170877280 /nfs/dbraw/zinc/87/72/80/170877280.db2.gz WKVHZYDPXCWRLQ-UHFFFAOYSA-N 1 0 287.794 3.673 10 0 CHAERO CC[C@H]1CCCC[C@@H]1OCc1ccc(C(N)=[NH2+])cc1F ZINC000019808752 170877659 /nfs/dbraw/zinc/87/76/59/170877659.db2.gz SPKLROQWQPJHRB-NHYWBVRUSA-N 1 0 278.371 3.595 10 0 CHAERO COc1cc(C)ccc1Oc1ccc([C@H](C)[NH3+])cc1F ZINC000019872955 170902644 /nfs/dbraw/zinc/90/26/44/170902644.db2.gz NCDQKRGKOOCODO-NSHDSACASA-N 1 0 275.323 3.955 10 0 CHAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1O ZINC000019963305 170944610 /nfs/dbraw/zinc/94/46/10/170944610.db2.gz USELFPPAEWDUSV-QVHKTLOISA-N 1 0 277.408 3.876 10 0 CHAERO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(O)cc1 ZINC000020121313 171000376 /nfs/dbraw/zinc/00/03/76/171000376.db2.gz WHSJXTWNSOHFJP-BLLLJJGKSA-N 1 0 256.349 3.589 10 0 CHAERO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000020122003 171002106 /nfs/dbraw/zinc/00/21/06/171002106.db2.gz PWNRAPYFRGSLHG-LLVKDONJSA-N 1 0 261.752 3.896 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cc1 ZINC000020129317 171016859 /nfs/dbraw/zinc/01/68/59/171016859.db2.gz ZMXCYJBMIORERI-LPHOPBHVSA-N 1 0 282.431 3.949 10 0 CHAERO c1ccc2c(c1)-c1ccccc1C2[NH2+]Cc1ccncc1 ZINC000020139815 171026848 /nfs/dbraw/zinc/02/68/48/171026848.db2.gz XGTQLDHIXMFVOU-UHFFFAOYSA-N 1 0 272.351 3.941 10 0 CHAERO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccs2)ccc1O ZINC000020148404 171035813 /nfs/dbraw/zinc/03/58/13/171035813.db2.gz NFHNDZLHZPBHDM-GHMZBOCLSA-N 1 0 277.389 3.874 10 0 CHAERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(N)c1 ZINC000020192456 171058030 /nfs/dbraw/zinc/05/80/30/171058030.db2.gz WEDTZRNDARMQHZ-GFCCVEGCSA-N 1 0 252.789 3.687 10 0 CHAERO C=COCCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000020197209 171061083 /nfs/dbraw/zinc/06/10/83/171061083.db2.gz KUNSHUINVUXOMY-UHFFFAOYSA-N 1 0 265.356 3.896 10 0 CHAERO C=COCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020197669 171062088 /nfs/dbraw/zinc/06/20/88/171062088.db2.gz OIYZRETWPFNLGZ-JTQLQIEISA-N 1 0 257.736 3.680 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)[C@@H]1CCCO1 ZINC000020206719 171071394 /nfs/dbraw/zinc/07/13/94/171071394.db2.gz OOPBOOGRNSHMKO-WDMOLILDSA-N 1 0 298.224 3.667 10 0 CHAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000020207364 171072713 /nfs/dbraw/zinc/07/27/13/171072713.db2.gz KNJYDERDZWSEEL-ZQIUZPCESA-N 1 0 277.408 3.694 10 0 CHAERO CN(Cc1ccccc1F)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225954 171089483 /nfs/dbraw/zinc/08/94/83/171089483.db2.gz BOSLTBSYQNDSRU-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CCc1ccc([C@H](C[NH3+])N(C)Cc2ccc(F)cc2)cc1 ZINC000020225709 171089633 /nfs/dbraw/zinc/08/96/33/171089633.db2.gz UMZFQDFWRYTIJB-SFHVURJKSA-N 1 0 286.394 3.520 10 0 CHAERO [NH3+]Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000020246460 171100329 /nfs/dbraw/zinc/10/03/29/171100329.db2.gz IMQWRVDXQKDEOK-UHFFFAOYSA-N 1 0 295.169 3.704 10 0 CHAERO CC[C@@H]([C@H]([NH3+])c1ccccc1)n1ccnc1C(C)C ZINC000020261740 171119346 /nfs/dbraw/zinc/11/93/46/171119346.db2.gz RQVDLAMZPFDPNM-LSDHHAIUSA-N 1 0 257.381 3.658 10 0 CHAERO CCOc1ccccc1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000020375139 171170706 /nfs/dbraw/zinc/17/07/06/171170706.db2.gz MEWJKTQFPBKMIO-ZDUSSCGKSA-N 1 0 267.781 3.848 10 0 CHAERO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(Cl)cc1N ZINC000020382993 171173118 /nfs/dbraw/zinc/17/31/18/171173118.db2.gz HQPWQJXJEODDCU-GFCCVEGCSA-N 1 0 281.831 3.599 10 0 CHAERO [NH3+][C@@H](Cc1nc2ccccc2o1)c1ccccc1Cl ZINC000020427711 171193496 /nfs/dbraw/zinc/19/34/96/171193496.db2.gz IZJZCJSOMANYKT-LBPRGKRZSA-N 1 0 272.735 3.724 10 0 CHAERO [NH3+]Cc1ccccc1Oc1ccc(F)cc1Br ZINC000020470171 171211768 /nfs/dbraw/zinc/21/17/68/171211768.db2.gz PASREANDJNHQOZ-UHFFFAOYSA-N 1 0 296.139 3.839 10 0 CHAERO [NH3+]Cc1ccc(OCc2ccccc2Cl)c(F)c1 ZINC000020469937 171211963 /nfs/dbraw/zinc/21/19/63/171211963.db2.gz BLWRMYDKKGDDRT-UHFFFAOYSA-N 1 0 265.715 3.517 10 0 CHAERO CCCC[C@H](CC)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000020482073 171222398 /nfs/dbraw/zinc/22/23/98/171222398.db2.gz LLQKOLVMKKBVJP-OLZOCXBDSA-N 1 0 262.397 3.861 10 0 CHAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000020482264 171223204 /nfs/dbraw/zinc/22/32/04/171223204.db2.gz OYUWUTDONGHAJI-BLLLJJGKSA-N 1 0 263.381 3.674 10 0 CHAERO CCCC[C@@H](CC)[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000020482329 171223215 /nfs/dbraw/zinc/22/32/15/171223215.db2.gz ZZSZAESDIWPJMP-WBMJQRKESA-N 1 0 265.397 3.920 10 0 CHAERO CCCC[NH+](CCCC)[C@@H]1CCCCCC[C@H]1N ZINC000020485398 171225001 /nfs/dbraw/zinc/22/50/01/171225001.db2.gz XIJCNBLZYZISPU-HZPDHXFCSA-N 1 0 254.462 3.939 10 0 CHAERO CC(C)(C)OC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000020510738 171230305 /nfs/dbraw/zinc/23/03/05/171230305.db2.gz LSYYERIKCIXLRA-NSHDSACASA-N 1 0 261.287 3.520 10 0 CHAERO CCCCCC[C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000020520387 171233960 /nfs/dbraw/zinc/23/39/60/171233960.db2.gz OEDQUNDXYXCEBD-HZPDHXFCSA-N 1 0 256.478 3.911 10 0 CHAERO CCC[NH2+]CCCOc1c(C)cc(Cl)cc1C ZINC000020525396 171238222 /nfs/dbraw/zinc/23/82/22/171238222.db2.gz MCZPDOINRZUUPC-UHFFFAOYSA-N 1 0 255.789 3.725 10 0 CHAERO Cc1cc(C)c([C@H](N)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000020547298 171245086 /nfs/dbraw/zinc/24/50/86/171245086.db2.gz YKMMPXQBBIODQE-QGZVFWFLSA-N 1 0 274.452 3.876 10 0 CHAERO CCN(C[C@H]([NH3+])c1ccc(OC)cc1)c1ccccc1C ZINC000020547750 171245186 /nfs/dbraw/zinc/24/51/86/171245186.db2.gz FVKDMRMYZGRLGD-KRWDZBQOSA-N 1 0 284.403 3.530 10 0 CHAERO CC(C)c1ccc([C@@H]([NH3+])COc2ccccc2)cc1 ZINC000020552868 171248208 /nfs/dbraw/zinc/24/82/08/171248208.db2.gz VOPZJOGZGTUUDZ-KRWDZBQOSA-N 1 0 255.361 3.889 10 0 CHAERO C[C@@H]1CN([C@H]2CCCCCCCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000020556024 171249932 /nfs/dbraw/zinc/24/99/32/171249932.db2.gz WMPHWCPDGZLZCH-MHORFTMASA-N 1 0 296.499 3.706 10 0 CHAERO [NH3+][C@@H]1c2ccccc2C[C@@H]1Oc1ccccc1C(F)(F)F ZINC000020563854 171252952 /nfs/dbraw/zinc/25/29/52/171252952.db2.gz HAGRLYNELFYYBN-LSDHHAIUSA-N 1 0 293.288 3.709 10 0 CHAERO [NH3+][C@H]1CCCCC[C@@H]1Oc1ccc2ccccc2c1 ZINC000020564917 171253660 /nfs/dbraw/zinc/25/36/60/171253660.db2.gz OADRDKLOSGOIQV-IRXDYDNUSA-N 1 0 255.361 3.879 10 0 CHAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCOCc1ccco1 ZINC000020567241 171255147 /nfs/dbraw/zinc/25/51/47/171255147.db2.gz CXLCIPIUSJWTGD-ZIAGYGMSSA-N 1 0 265.397 3.601 10 0 CHAERO CCOc1ccccc1[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020587303 171259303 /nfs/dbraw/zinc/25/93/03/171259303.db2.gz JLHBGHKVXSRCOQ-QGZVFWFLSA-N 1 0 255.361 3.750 10 0 CHAERO Fc1ccccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595879 171264690 /nfs/dbraw/zinc/26/46/90/171264690.db2.gz OOBZMOWFOHYWBT-OAHLLOKOSA-N 1 0 270.351 3.512 10 0 CHAERO CCCOc1ccc(C[NH2+]C(C)(C)C)cc1OCC ZINC000020933143 171280770 /nfs/dbraw/zinc/28/07/70/171280770.db2.gz IQQFQUWDWCBQSL-UHFFFAOYSA-N 1 0 265.397 3.762 10 0 CHAERO C[C@H](C[NH2+]CCCN(C)c1ccccc1)c1ccccc1 ZINC000021008929 171285552 /nfs/dbraw/zinc/28/55/52/171285552.db2.gz NSKOQTBXSXHUEK-QGZVFWFLSA-N 1 0 282.431 3.906 10 0 CHAERO CC[NH+](CC)CCNc1cc(Cl)cc(Cl)c1 ZINC000021009289 171285907 /nfs/dbraw/zinc/28/59/07/171285907.db2.gz HMDXBWGEJMYLTP-UHFFFAOYSA-N 1 0 261.196 3.747 10 0 CHAERO CN(C)C[C@@H]([NH2+]CCCc1ccccc1)c1ccccc1 ZINC000021010601 171286801 /nfs/dbraw/zinc/28/68/01/171286801.db2.gz SUNJVFXYBKTHMD-LJQANCHMSA-N 1 0 282.431 3.512 10 0 CHAERO CC[NH+](CC)[C@@H]1CCCCCCCCCC[C@H]1N ZINC000021011460 171287190 /nfs/dbraw/zinc/28/71/90/171287190.db2.gz HCOJJWJRCZKJNJ-HZPDHXFCSA-N 1 0 254.462 3.939 10 0 CHAERO CC(C)Cc1ccc([C@@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021039989 171293374 /nfs/dbraw/zinc/29/33/74/171293374.db2.gz UXHUXTYNWAXOAI-MDZRGWNJSA-N 1 0 288.479 3.863 10 0 CHAERO CC(C)Cc1ccc([C@@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021039976 171293448 /nfs/dbraw/zinc/29/34/48/171293448.db2.gz UXHUXTYNWAXOAI-FCEWJHQRSA-N 1 0 288.479 3.863 10 0 CHAERO c1ccc(Oc2ccc(OC[C@H]3CCCC[NH2+]3)cc2)cc1 ZINC000021047421 171294370 /nfs/dbraw/zinc/29/43/70/171294370.db2.gz CSJNBXMUZIPBKQ-OAHLLOKOSA-N 1 0 283.371 4.000 10 0 in-vivo CHAERO CCOc1ccccc1[C@H]([NH3+])CN(CC)c1ccccc1 ZINC000021052342 171295257 /nfs/dbraw/zinc/29/52/57/171295257.db2.gz BDMJIGGTWBDCPK-QGZVFWFLSA-N 1 0 284.403 3.612 10 0 CHAERO CCC[NH+](CCC)[C@@H](C(C)C)[C@H](N)c1ccccc1 ZINC000021054809 171295557 /nfs/dbraw/zinc/29/55/57/171295557.db2.gz BALPYWJJFDZSFH-SJORKVTESA-N 1 0 262.441 3.833 10 0 CHAERO CCN(C[C@@H]([NH3+])c1ccc(C)c(C)c1)c1ccccc1 ZINC000021057372 171295997 /nfs/dbraw/zinc/29/59/97/171295997.db2.gz UMWIMMDGZTUVIR-GOSISDBHSA-N 1 0 268.404 3.830 10 0 CHAERO CCC[NH+](CCC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000021500208 171305150 /nfs/dbraw/zinc/30/51/50/171305150.db2.gz VWLOWLWGJBFENC-SOUVJXGZSA-N 1 0 254.462 3.651 10 0 CHAERO CCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000021502205 171305848 /nfs/dbraw/zinc/30/58/48/171305848.db2.gz YNFIUYUDQLVBNL-NVXWUHKLSA-N 1 0 262.441 3.848 10 0 CHAERO CC(C)C[C@H](C)OC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000021509803 171309759 /nfs/dbraw/zinc/30/97/59/171309759.db2.gz XEVRJHAIMARUJI-OKUQKKEKSA-N 1 0 279.468 3.981 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@H](N)[C@@H]([N@@H+]2CCCC[C@@H]2C)C1 ZINC000021512556 171310822 /nfs/dbraw/zinc/31/08/22/171310822.db2.gz SSPLHMMOTSOUEV-FZKCQIBNSA-N 1 0 266.473 3.793 10 0 CHAERO COc1ccc(C)cc1[C@@H]([NH3+])COc1cc(C)cc(C)c1 ZINC000021518680 171314836 /nfs/dbraw/zinc/31/48/36/171314836.db2.gz XWRNXISVTNBDAL-KRWDZBQOSA-N 1 0 285.387 3.699 10 0 CHAERO CC(C)C[C@@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)N(C)C ZINC000021520190 171315677 /nfs/dbraw/zinc/31/56/77/171315677.db2.gz ANSOAVJJHDNFBO-PMPSAXMXSA-N 1 0 268.489 3.767 10 0 CHAERO CC(C)c1ccc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000021792064 171324155 /nfs/dbraw/zinc/32/41/55/171324155.db2.gz FIUDKLHLSBFSBL-ROUUACIJSA-N 1 0 267.372 3.814 10 0 CHAERO CCCC[N@H+](C)C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021798414 171325145 /nfs/dbraw/zinc/32/51/45/171325145.db2.gz VAPGDFQOKJRLAU-MRXNPFEDSA-N 1 0 262.441 3.716 10 0 CHAERO [NH3+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1Oc1ccccc1F ZINC000021799060 171325453 /nfs/dbraw/zinc/32/54/53/171325453.db2.gz CHQMKHUIFLRNBB-HFTRVMKXSA-N 1 0 285.362 3.868 10 0 CHAERO CCC[NH+](CCC)C[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000021800668 171325775 /nfs/dbraw/zinc/32/57/75/171325775.db2.gz QFYVNLVXWCLATB-QGZVFWFLSA-N 1 0 278.440 3.596 10 0 CHAERO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC000021817804 171333309 /nfs/dbraw/zinc/33/33/09/171333309.db2.gz ASCPOCGCMSZARP-IUODEOHRSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)COCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021819308 171334202 /nfs/dbraw/zinc/33/42/02/171334202.db2.gz YNJRUGXHCPGIQT-HUUCEWRRSA-N 1 0 255.446 3.854 10 0 CHAERO CC(C)(C)OC(=O)n1cc([C@H]2CC[NH2+]C2)c2ccccc21 ZINC000022015020 171349292 /nfs/dbraw/zinc/34/92/92/171349292.db2.gz CNEARFWZIAPQEU-LBPRGKRZSA-N 1 0 286.375 3.501 10 0 CHAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCC[NH2+]C1 ZINC000022015180 171349715 /nfs/dbraw/zinc/34/97/15/171349715.db2.gz HQIPGGFPWWPHBQ-LBPRGKRZSA-N 1 0 276.380 3.501 10 0 CHAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000022015208 171349730 /nfs/dbraw/zinc/34/97/30/171349730.db2.gz XDTSNFSQMSONEY-AWEZNQCLSA-N 1 0 276.380 3.848 10 0 CHAERO Cc1ccc([C@@H]([NH3+])COc2ccccc2C)cc1C ZINC000022148747 171357630 /nfs/dbraw/zinc/35/76/30/171357630.db2.gz YKVYDLLXEWMHGR-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(C)cc1C ZINC000022149714 171358103 /nfs/dbraw/zinc/35/81/03/171358103.db2.gz HZUUWORNMMCPNO-GOSISDBHSA-N 1 0 268.404 3.830 10 0 CHAERO C[NH2+]Cc1ccc(-c2ccc(Cl)cc2F)s1 ZINC000034670834 171856939 /nfs/dbraw/zinc/85/69/39/171856939.db2.gz RQRZREFDOWAKBD-UHFFFAOYSA-N 1 0 255.745 3.927 10 0 CHAERO C[NH2+][C@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000034819128 171872201 /nfs/dbraw/zinc/87/22/01/171872201.db2.gz HYKHEMPYTYHUMM-CQSZACIVSA-N 1 0 255.361 3.854 10 0 CHAERO C[NH2+][C@H](C)c1cc(F)ccc1N(C)c1ccccc1 ZINC000034837709 171882731 /nfs/dbraw/zinc/88/27/31/171882731.db2.gz ANTYFDNMDSDUNK-GFCCVEGCSA-N 1 0 258.340 3.874 10 0 CHAERO C[NH2+][C@H](C)c1ccc(O[C@@H](C)CC(C)C)c(F)c1 ZINC000034843233 171886371 /nfs/dbraw/zinc/88/63/71/171886371.db2.gz HLDBJQUACAMMDH-NWDGAFQWSA-N 1 0 253.361 3.920 10 0 CHAERO CC(C)c1ccc(COc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000034957510 171903281 /nfs/dbraw/zinc/90/32/81/171903281.db2.gz WDTMTZGPDHHEPE-UHFFFAOYSA-N 1 0 268.360 3.673 10 0 CHAERO Fc1ccc(CC[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000035161840 172022191 /nfs/dbraw/zinc/02/21/91/172022191.db2.gz BLKQETGWHDMUQJ-UHFFFAOYSA-N 1 0 273.395 3.783 10 0 CHAERO C[N@H+](C1CCCCC1)[C@@](C)(CN)CCc1ccccc1 ZINC000035176655 172029520 /nfs/dbraw/zinc/02/95/20/172029520.db2.gz OCRGNVCLJMLELG-GOSISDBHSA-N 1 0 274.452 3.601 10 0 CHAERO CCCCCC[C@@](C)(CN)[N@H+](C)C1CCCCC1 ZINC000035176708 172030428 /nfs/dbraw/zinc/03/04/28/172030428.db2.gz FQZAAMMOXQFKJI-INIZCTEOSA-N 1 0 254.462 3.939 10 0 CHAERO Cc1ccc([C@H](N)[C@H](C)[N@H+](C)C2CCCCC2)cc1 ZINC000035219791 172061054 /nfs/dbraw/zinc/06/10/54/172061054.db2.gz YRDUJMNPDKYJRC-WMLDXEAASA-N 1 0 260.425 3.648 10 0 CHAERO CC[N@H+](Cc1ccccc1N)Cc1ccccc1Cl ZINC000035364578 172153324 /nfs/dbraw/zinc/15/33/24/172153324.db2.gz RYPJHZYSKXJSTQ-UHFFFAOYSA-N 1 0 274.795 3.944 10 0 CHAERO COc1cccc(C[NH2+]C(C)C)c1OCCC(C)C ZINC000035413784 172186375 /nfs/dbraw/zinc/18/63/75/172186375.db2.gz NERHZWYTULJUOB-UHFFFAOYSA-N 1 0 265.397 3.618 10 0 CHAERO CCCCCOc1c(C[NH2+]C(C)C)cccc1OC ZINC000035413780 172186859 /nfs/dbraw/zinc/18/68/59/172186859.db2.gz FTVSMPKQSNPTQN-UHFFFAOYSA-N 1 0 265.397 3.762 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccccc2Cl)cc1F ZINC000035424343 172192733 /nfs/dbraw/zinc/19/27/33/172192733.db2.gz SRCHWBZCXXETSX-AWEZNQCLSA-N 1 0 265.715 3.536 10 0 CHAERO CCOc1ccc([C@H]([NH2+]C)c2ccc(C)s2)cc1 ZINC000035459382 172208192 /nfs/dbraw/zinc/20/81/92/172208192.db2.gz LJCOTLVSGWZCRS-HNNXBMFYSA-N 1 0 261.390 3.764 10 0 CHAERO C[NH2+][C@H](c1ccoc1C)c1ccc(OC)c(Cl)c1 ZINC000035461659 172209753 /nfs/dbraw/zinc/20/97/53/172209753.db2.gz PRMYNRLMRIEROP-AWEZNQCLSA-N 1 0 265.740 3.559 10 0 CHAERO C[NH2+][C@H](c1ccc(C)o1)c1ccc(Br)cc1 ZINC000035462322 172210832 /nfs/dbraw/zinc/21/08/32/172210832.db2.gz DOTNIDRSHUCFPH-ZDUSSCGKSA-N 1 0 280.165 3.659 10 0 CHAERO C[NH2+][C@H](c1ccoc1C)c1ccc(Br)cc1 ZINC000035462371 172210859 /nfs/dbraw/zinc/21/08/59/172210859.db2.gz ROTRYDOEJTYAOK-ZDUSSCGKSA-N 1 0 280.165 3.659 10 0 CHAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)c(Cl)c1 ZINC000035462156 172211063 /nfs/dbraw/zinc/21/10/63/172211063.db2.gz VZBHCUUSBPZHLN-OAHLLOKOSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(Br)c1 ZINC000035463671 172211585 /nfs/dbraw/zinc/21/15/85/172211585.db2.gz IOSSSIVLVAXHSU-AWEZNQCLSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1OC ZINC000035465109 172212236 /nfs/dbraw/zinc/21/22/36/172212236.db2.gz FJHLVUWGQVJNNU-HNNXBMFYSA-N 1 0 261.752 3.657 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)c1ccccc1 ZINC000035465312 172212820 /nfs/dbraw/zinc/21/28/20/172212820.db2.gz KKHFKZKEWBCRKS-HNNXBMFYSA-N 1 0 290.204 3.952 10 0 CHAERO CCOc1ccc([C@H]([NH2+]C)c2cc(C)oc2C)cc1 ZINC000035466384 172213430 /nfs/dbraw/zinc/21/34/30/172213430.db2.gz CXCUDHVXSZWNBL-INIZCTEOSA-N 1 0 259.349 3.604 10 0 CHAERO C[NH2+][C@H](c1cc2c(s1)CCC2)c1ccc(C)cc1 ZINC000035466039 172214082 /nfs/dbraw/zinc/21/40/82/172214082.db2.gz ZDMVTRKSRFVPEH-INIZCTEOSA-N 1 0 257.402 3.854 10 0 CHAERO C[NH2+][C@H](c1cc(C)ccc1C)c1cc(F)ccc1F ZINC000035468675 172218827 /nfs/dbraw/zinc/21/88/27/172218827.db2.gz ZQBBXKZXZRCWTM-MRXNPFEDSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1c(F)cc(F)cc1F ZINC000035469386 172219877 /nfs/dbraw/zinc/21/98/77/172219877.db2.gz UIQJYYRNRCXXHK-ZDUSSCGKSA-N 1 0 271.307 3.783 10 0 CHAERO C[NH2+][C@@H](c1cc(F)cc(F)c1)c1cc(C)ccc1C ZINC000035489785 172224974 /nfs/dbraw/zinc/22/49/74/172224974.db2.gz RZPPFPIPRQBMAU-INIZCTEOSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@H](c1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000035494702 172228060 /nfs/dbraw/zinc/22/80/60/172228060.db2.gz ICIOIIFNLFLSIC-CQSZACIVSA-N 1 0 267.706 3.927 10 0 CHAERO CC[C@H](C)[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCCO2 ZINC000035501151 172234968 /nfs/dbraw/zinc/23/49/68/172234968.db2.gz AWHULWFWNZJNGX-BONVTDFDSA-N 1 0 283.799 3.808 10 0 CHAERO C[NH2+][C@H](c1cccc(C)c1)c1ccc(OC)c(C)c1 ZINC000035506531 172239272 /nfs/dbraw/zinc/23/92/72/172239272.db2.gz AGDITZJSPXPVTQ-QGZVFWFLSA-N 1 0 255.361 3.621 10 0 CHAERO CCC(CC)[C@@H]([NH2+]C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507403 172240105 /nfs/dbraw/zinc/24/01/05/172240105.db2.gz NKHZZQGCSKSBSB-OAHLLOKOSA-N 1 0 280.799 3.531 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(Br)c1)C1CC1 ZINC000035508507 172241062 /nfs/dbraw/zinc/24/10/62/172241062.db2.gz CHAKWSWDWUKGNZ-ZDUSSCGKSA-N 1 0 284.197 3.518 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1cc(C)sc1C ZINC000035552665 172259923 /nfs/dbraw/zinc/25/99/23/172259923.db2.gz BRDGHXAKNHEHNM-JTQLQIEISA-N 1 0 251.317 3.968 10 0 CHAERO CC[NH2+][C@@H](C)c1cc(OCC)c(OCC)cc1Cl ZINC000035557248 172262697 /nfs/dbraw/zinc/26/26/97/172262697.db2.gz XQLOWJDOQDSRPO-JTQLQIEISA-N 1 0 271.788 3.808 10 0 CHAERO CC(C)C[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1ccccc1 ZINC000035565304 172264430 /nfs/dbraw/zinc/26/44/30/172264430.db2.gz LEAGHBKQXMGUNR-RBUKOAKNSA-N 1 0 288.479 3.921 10 0 CHAERO CCC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CC1 ZINC000035573993 172270395 /nfs/dbraw/zinc/27/03/95/172270395.db2.gz YGRIYNWYROFLNQ-AWEZNQCLSA-N 1 0 253.773 3.799 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000035575393 172271980 /nfs/dbraw/zinc/27/19/80/172271980.db2.gz VOLQSZLPQUQUDE-KBPBESRZSA-N 1 0 253.773 3.560 10 0 CHAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(OC)cc1 ZINC000035576234 172272585 /nfs/dbraw/zinc/27/25/85/172272585.db2.gz KYHLFOJSGFWZAF-OAHLLOKOSA-N 1 0 261.390 3.846 10 0 CHAERO CCC[NH2+][C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000035577991 172274164 /nfs/dbraw/zinc/27/41/64/172274164.db2.gz BKLJSCAQEYEKDP-INIZCTEOSA-N 1 0 263.381 3.545 10 0 CHAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc2c(c1)CCO2 ZINC000035579062 172275257 /nfs/dbraw/zinc/27/52/57/172275257.db2.gz LLKIPIZABPHRJX-MRXNPFEDSA-N 1 0 273.401 3.772 10 0 CHAERO CCC[NH2+][C@@H](c1ccoc1C)c1cc(F)ccc1F ZINC000035580060 172275757 /nfs/dbraw/zinc/27/57/57/172275757.db2.gz NBJUAYHUYMPWFF-HNNXBMFYSA-N 1 0 265.303 3.955 10 0 CHAERO CCC[NH2+][C@@H](c1cc(C)sc1C)[C@@H]1CCCO1 ZINC000035583397 172281976 /nfs/dbraw/zinc/28/19/76/172281976.db2.gz RDZLVVKMQXAIAG-KBPBESRZSA-N 1 0 253.411 3.585 10 0 CHAERO CCC[NH2+][C@H](C)c1cc2c(cc1Cl)OCCCO2 ZINC000035584664 172284147 /nfs/dbraw/zinc/28/41/47/172284147.db2.gz KIVCWFNTAVTBKH-SNVBAGLBSA-N 1 0 269.772 3.562 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000035635076 172319211 /nfs/dbraw/zinc/31/92/11/172319211.db2.gz CZDVEOZLZUYHKJ-LBPRGKRZSA-N 1 0 262.397 3.732 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(NC(=O)OCC(C)C)cc1 ZINC000035645418 172323074 /nfs/dbraw/zinc/32/30/74/172323074.db2.gz OHOFVBVXMRCWKS-GFCCVEGCSA-N 1 0 264.369 3.562 10 0 CHAERO CCC[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000035652947 172329397 /nfs/dbraw/zinc/32/93/97/172329397.db2.gz MJMGHTSNPRLOGQ-JTQLQIEISA-N 1 0 260.164 3.817 10 0 CHAERO CC[NH2+][C@@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000035654177 172330817 /nfs/dbraw/zinc/33/08/17/172330817.db2.gz YEKMTTLMDMKTRT-LLVKDONJSA-N 1 0 260.164 3.817 10 0 CHAERO CCC[NH2+][C@@H]1CCOc2cc(C)c(Cl)c(C)c21 ZINC000035657757 172332576 /nfs/dbraw/zinc/33/25/76/172332576.db2.gz TVJSBYQXUOCCOO-LLVKDONJSA-N 1 0 253.773 3.780 10 0 CHAERO CN(Cc1ccsc1)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000035718884 172373119 /nfs/dbraw/zinc/37/31/19/172373119.db2.gz NBZHUMUTDZNXCM-CQSZACIVSA-N 1 0 280.824 3.533 10 0 CHAERO CN(Cc1ccsc1)[C@H](C[NH3+])c1ccccc1Cl ZINC000035719131 172373182 /nfs/dbraw/zinc/37/31/82/172373182.db2.gz IMVBRLPLJXSGDR-CQSZACIVSA-N 1 0 280.824 3.533 10 0 CHAERO Cc1cc(Oc2ccc(C[NH3+])cn2)cc(C)c1Cl ZINC000035719870 172374180 /nfs/dbraw/zinc/37/41/80/172374180.db2.gz QPJWOATWUKXSON-UHFFFAOYSA-N 1 0 262.740 3.603 10 0 CHAERO [NH3+]Cc1ccc(CSc2ccc(F)c(F)c2)cc1 ZINC000035722058 172377306 /nfs/dbraw/zinc/37/73/06/172377306.db2.gz YEMXCQXNQDPEKH-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO [NH3+]Cc1ccccc1CSc1ccc(F)cc1F ZINC000035722012 172377451 /nfs/dbraw/zinc/37/74/51/172377451.db2.gz HFXUTOMDGNCLDW-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1ccc(F)c(F)c1 ZINC000035722078 172377744 /nfs/dbraw/zinc/37/77/44/172377744.db2.gz SBKZXIZHFFMXFZ-QMTHXVAHSA-N 1 0 271.376 3.965 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1ccc(Cl)cc1 ZINC000035722552 172378184 /nfs/dbraw/zinc/37/81/84/172378184.db2.gz URZKYMAWJRFHDT-ZWNOBZJWSA-N 1 0 255.814 3.950 10 0 CHAERO COc1ccc(S[C@@H]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC000035723789 172378866 /nfs/dbraw/zinc/37/88/66/172378866.db2.gz LDFKBNPJFCULCO-TYNCELHUSA-N 1 0 265.422 3.551 10 0 CHAERO COc1ccc(S[C@@H]2CCCCC[C@@H]2C[NH3+])cc1 ZINC000035723792 172378899 /nfs/dbraw/zinc/37/88/99/172378899.db2.gz QEMLLUZSDRNPIX-IUODEOHRSA-N 1 0 265.422 3.695 10 0 CHAERO C[NH2+][C@@H]1CCCSc2c(Br)cccc21 ZINC000035762737 172402990 /nfs/dbraw/zinc/40/29/90/172402990.db2.gz HDDXVOMQLHELQQ-SNVBAGLBSA-N 1 0 272.211 3.596 10 0 CHAERO Cc1ccc([C@@H]([NH3+])CN2c3ccccc3C[C@@H]2C)c(C)c1 ZINC000036664874 172645260 /nfs/dbraw/zinc/64/52/60/172645260.db2.gz VQPUKBCKVIUWLD-YJBOKZPZSA-N 1 0 280.415 3.754 10 0 CHAERO Cc1ccc(C(C)C)c(O[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000037179184 173012162 /nfs/dbraw/zinc/01/21/62/173012162.db2.gz NJEBSEXKBLWZKW-CYBMUJFWSA-N 1 0 275.314 3.777 10 0 CHAERO C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)C1CCCCC1 ZINC000037216993 173036035 /nfs/dbraw/zinc/03/60/35/173036035.db2.gz GFDPGYKAECCKNG-OAHLLOKOSA-N 1 0 266.473 3.809 10 0 CHAERO CC(C)c1nn(C)cc1C[NH2+]CCC1=CCCCC1 ZINC000037216889 173036292 /nfs/dbraw/zinc/03/62/92/173036292.db2.gz PPASYNGGAWVJMQ-UHFFFAOYSA-N 1 0 261.413 3.524 10 0 CHAERO Cc1ccc(N[C@H](C)[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000037221880 173042383 /nfs/dbraw/zinc/04/23/83/173042383.db2.gz UMSQJDHIEIBVFD-OLZOCXBDSA-N 1 0 266.816 3.791 10 0 CHAERO CCC[NH+](CCC)[C@@H](C)[C@H](N)c1ccc(CC)cc1 ZINC000037223703 173043613 /nfs/dbraw/zinc/04/36/13/173043613.db2.gz VZPZABWOIKNWLZ-YOEHRIQHSA-N 1 0 262.441 3.759 10 0 CHAERO CCC[NH+](CCC)[C@H](C)[C@H](N)c1ccc(CC)cc1 ZINC000037223704 173043665 /nfs/dbraw/zinc/04/36/65/173043665.db2.gz VZPZABWOIKNWLZ-PBHICJAKSA-N 1 0 262.441 3.759 10 0 CHAERO CCCCCC[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000037232636 173051172 /nfs/dbraw/zinc/05/11/72/173051172.db2.gz YTPIHCJNQAIHPC-OAHLLOKOSA-N 1 0 263.381 3.689 10 0 CHAERO CCCCCC[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037232561 173051434 /nfs/dbraw/zinc/05/14/34/173051434.db2.gz NFXALMWLHRHCDJ-UHFFFAOYSA-N 1 0 265.426 3.683 10 0 CHAERO C[NH2+]Cc1cc(F)ccc1Oc1ccc(C)cc1C ZINC000037237520 173055220 /nfs/dbraw/zinc/05/52/20/173055220.db2.gz RRUNLBLMJQUQTO-UHFFFAOYSA-N 1 0 259.324 3.954 10 0 CHAERO Clc1cc(C[NH2+]CC2CCCCC2)cc2c1OCO2 ZINC000037247852 173060070 /nfs/dbraw/zinc/06/00/70/173060070.db2.gz OYVKTQRIAVTGLG-UHFFFAOYSA-N 1 0 281.783 3.739 10 0 CHAERO CC[C@@H]1CCC[N@H+](CC(=O)c2ccc(C)cc2C)C1 ZINC000037339473 173140597 /nfs/dbraw/zinc/14/05/97/173140597.db2.gz ZECZHMVJKMBOAR-OAHLLOKOSA-N 1 0 259.393 3.608 10 0 CHAERO C[NH2+]CCCOc1cc(C(C)C)c(Cl)cc1C ZINC000037429160 173200148 /nfs/dbraw/zinc/20/01/48/173200148.db2.gz ILWFEVRGZSQZFZ-UHFFFAOYSA-N 1 0 255.789 3.760 10 0 CHAERO CCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1CC ZINC000037440395 173210108 /nfs/dbraw/zinc/21/01/08/173210108.db2.gz FNKAZCCGSRGSMI-JTQLQIEISA-N 1 0 251.761 3.510 10 0 CHAERO CCCC[C@@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441304 173211177 /nfs/dbraw/zinc/21/11/77/173211177.db2.gz TVKCQKVNIDPRJE-SNVBAGLBSA-N 1 0 296.212 3.526 10 0 CHAERO COc1ccccc1[C@](C)([NH3+])Cc1ccc(Cl)cc1 ZINC000037531526 173253214 /nfs/dbraw/zinc/25/32/14/173253214.db2.gz ZMRYIYZCDPYAGO-MRXNPFEDSA-N 1 0 275.779 3.765 10 0 CHAERO COc1ccc([C@@](C)([NH3+])CCc2ccccc2)cc1 ZINC000037531773 173253330 /nfs/dbraw/zinc/25/33/30/173253330.db2.gz WNUQTCILCSNYKB-KRWDZBQOSA-N 1 0 255.361 3.502 10 0 CHAERO C[C@@]([NH3+])(Cc1ccc(Br)cc1)c1ccccc1 ZINC000037531036 173253377 /nfs/dbraw/zinc/25/33/77/173253377.db2.gz UIRCRWDENAMOOZ-OAHLLOKOSA-N 1 0 290.204 3.866 10 0 CHAERO C[C@@]([NH3+])(Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037531290 173253555 /nfs/dbraw/zinc/25/35/55/173253555.db2.gz SNMOFTYYOOCUID-OAHLLOKOSA-N 1 0 263.743 3.896 10 0 CHAERO CC[NH2+][C@H](c1cccc(F)c1)c1ccccc1OC ZINC000037533013 173253937 /nfs/dbraw/zinc/25/39/37/173253937.db2.gz JQHVZFCWGYSAHU-MRXNPFEDSA-N 1 0 259.324 3.533 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccccc1F)c1ccccn1 ZINC000037534545 173254422 /nfs/dbraw/zinc/25/44/22/173254422.db2.gz LLXBYHHNSOUJLV-INIZCTEOSA-N 1 0 258.340 3.504 10 0 CHAERO CCCCOc1ccc(Cl)cc1C[C@H]([NH3+])CC ZINC000037725902 173644468 /nfs/dbraw/zinc/64/44/68/173644468.db2.gz FCGWRKHUNXAKNN-CYBMUJFWSA-N 1 0 255.789 3.799 10 0 CHAERO CCC1CCC(C[NH2+][C@@H]2CCCC[C@@H]2OC)CC1 ZINC000037905280 173837732 /nfs/dbraw/zinc/83/77/32/173837732.db2.gz BDHAZPJKHGXLJS-FJBKBRRZSA-N 1 0 253.430 3.750 10 0 CHAERO CC[C@@H](Cc1ccccc1Br)[C@@H](C)[NH2+]C ZINC000038004684 173966514 /nfs/dbraw/zinc/96/65/14/173966514.db2.gz OKDRXCFQACAJGE-MNOVXSKESA-N 1 0 270.214 3.626 10 0 CHAERO Cc1cccc(C2CC([NH2+]C[C@H](C)N3CCCCC3)C2)c1 ZINC000038028927 174018449 /nfs/dbraw/zinc/01/84/49/174018449.db2.gz SLGVUAKYWXHKEP-IVMQYODDSA-N 1 0 286.463 3.705 10 0 CHAERO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N1CCCCC1 ZINC000038028789 174018699 /nfs/dbraw/zinc/01/86/99/174018699.db2.gz OJVOIFYAVIONJR-CVEARBPZSA-N 1 0 286.463 3.700 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c(C)n1 ZINC000038029108 174019341 /nfs/dbraw/zinc/01/93/41/174019341.db2.gz WSDJASGNWUBRFU-HZPDHXFCSA-N 1 0 289.467 3.532 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)c(C)n1 ZINC000038029110 174019583 /nfs/dbraw/zinc/01/95/83/174019583.db2.gz WSDJASGNWUBRFU-JKSUJKDBSA-N 1 0 289.467 3.532 10 0 CHAERO C[C@H](c1ccc(F)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032483 174028163 /nfs/dbraw/zinc/02/81/63/174028163.db2.gz HYLAPAOSPCMHPP-GFCCVEGCSA-N 1 0 270.351 3.527 10 0 CHAERO CC[C@@H](c1ccccc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032517 174028233 /nfs/dbraw/zinc/02/82/33/174028233.db2.gz SONSGQFZVDKYLT-SFHVURJKSA-N 1 0 266.388 3.778 10 0 CHAERO C[C@@H](c1cccc(F)c1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032534 174028929 /nfs/dbraw/zinc/02/89/29/174028929.db2.gz MJSXVWLLUXMCJG-LBPRGKRZSA-N 1 0 270.351 3.527 10 0 CHAERO CCCOc1cccc(CNc2c[nH+]ccc2N(C)C)c1 ZINC000038038297 174038398 /nfs/dbraw/zinc/03/83/98/174038398.db2.gz UYVRKWKDJNVSDY-UHFFFAOYSA-N 1 0 285.391 3.549 10 0 CHAERO CCC[NH2+][C@H](C)c1cc(F)ccc1-n1cc(Cl)cn1 ZINC000038053647 174065387 /nfs/dbraw/zinc/06/53/87/174065387.db2.gz MPUBCXNOBOUIKW-SNVBAGLBSA-N 1 0 281.762 3.725 10 0 CHAERO CCC[NH2+][C@H](C)c1ccc(-n2cc(Cl)cn2)c(F)c1 ZINC000038053641 174065405 /nfs/dbraw/zinc/06/54/05/174065405.db2.gz XXTDHTOHWGWIHZ-SNVBAGLBSA-N 1 0 281.762 3.725 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000038058115 174068726 /nfs/dbraw/zinc/06/87/26/174068726.db2.gz VCRUQZPZHIGBPI-GFCCVEGCSA-N 1 0 273.298 3.615 10 0 CHAERO CCC[NH2+]Cc1cccc(-c2ccccc2OC)c1 ZINC000038070434 174081471 /nfs/dbraw/zinc/08/14/71/174081471.db2.gz OEYHMHPSESOCLJ-UHFFFAOYSA-N 1 0 255.361 3.862 10 0 CHAERO [NH3+]Cc1cccc(-c2ccccc2OC(F)(F)F)c1 ZINC000038071078 174081910 /nfs/dbraw/zinc/08/19/10/174081910.db2.gz VIQQKFDGJVONTD-UHFFFAOYSA-N 1 0 267.250 3.711 10 0 CHAERO CCC[NH2+][C@H](CC)c1ccc(-c2cnn(C)c2)cc1 ZINC000038073112 174083246 /nfs/dbraw/zinc/08/32/46/174083246.db2.gz KFXINGKQAFBDEE-MRXNPFEDSA-N 1 0 257.381 3.538 10 0 CHAERO CC[NH2+]Cc1ccccc1-c1ccc(OC)c(F)c1 ZINC000038073721 174083938 /nfs/dbraw/zinc/08/39/38/174083938.db2.gz YYLJBFVLCNTPKU-UHFFFAOYSA-N 1 0 259.324 3.611 10 0 CHAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1ccncc1 ZINC000038077406 174087707 /nfs/dbraw/zinc/08/77/07/174087707.db2.gz SYBCIVBKIIGAAE-KRWDZBQOSA-N 1 0 254.377 3.592 10 0 CHAERO CCC[NH2+][C@H](c1ccccn1)c1ccccc1Cl ZINC000038078539 174088762 /nfs/dbraw/zinc/08/87/62/174088762.db2.gz UETRKXKNPZSOPK-HNNXBMFYSA-N 1 0 260.768 3.824 10 0 CHAERO C[C@@H](C[NH2+][C@H](Cc1cccs1)c1cccs1)N(C)C ZINC000038087461 174099681 /nfs/dbraw/zinc/09/96/81/174099681.db2.gz ZAKVZKSYHILRPZ-GXTWGEPZSA-N 1 0 294.489 3.633 10 0 CHAERO CCC(C)(C)C1CCC([NH2+]C[C@H](C)N(C)C)CC1 ZINC000038088975 174102622 /nfs/dbraw/zinc/10/26/22/174102622.db2.gz DSIOZCGICMINCW-NFOMZHRRSA-N 1 0 254.462 3.521 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000038092401 174106118 /nfs/dbraw/zinc/10/61/18/174106118.db2.gz GMHROHVFBOUILV-CQDKDKBSSA-N 1 0 267.800 3.684 10 0 CHAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000038095379 174108495 /nfs/dbraw/zinc/10/84/95/174108495.db2.gz GTBNZFAIMWAFNX-RISCZKNCSA-N 1 0 298.224 3.669 10 0 CHAERO Cc1ccc([C@H]([NH2+]CC[C@@H]2CCCO2)C2CC2)cc1 ZINC000038096259 174110141 /nfs/dbraw/zinc/11/01/41/174110141.db2.gz YWKZENMFKPDHBR-IRXDYDNUSA-N 1 0 259.393 3.605 10 0 CHAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1cc(C)oc1C ZINC000038134201 174132535 /nfs/dbraw/zinc/13/25/35/174132535.db2.gz CZNKDCGUNZWDCV-INIZCTEOSA-N 1 0 261.340 3.929 10 0 CHAERO CC1CCN([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)CC1 ZINC000038688808 174152304 /nfs/dbraw/zinc/15/23/04/174152304.db2.gz LCRUYKXOXKFUBK-KRWDZBQOSA-N 1 0 274.452 3.716 10 0 CHAERO CCCOc1ccc([C@H](CN)[NH+](CCC)CCC)cc1 ZINC000039789133 174173563 /nfs/dbraw/zinc/17/35/63/174173563.db2.gz ODKCYEIUJTYGIX-KRWDZBQOSA-N 1 0 278.440 3.597 10 0 CHAERO COc1ccc(-c2csc([C@H]([NH3+])C(C)(C)C)n2)cc1 ZINC000041181698 174505580 /nfs/dbraw/zinc/50/55/80/174505580.db2.gz QBDWLIHNTZXQRW-ZDUSSCGKSA-N 1 0 276.405 3.865 10 0 CHAERO [NH3+]C[C@@H](Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000041346341 174528232 /nfs/dbraw/zinc/52/82/32/174528232.db2.gz KEVPGLHGNLWARI-HNNXBMFYSA-N 1 0 259.780 3.700 10 0 CHAERO C[NH2+]C[C@@H](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000041352996 174531440 /nfs/dbraw/zinc/53/14/40/174531440.db2.gz NTBJRNHXWXDSSC-VIFPVBQESA-N 1 0 262.180 3.618 10 0 CHAERO C[NH2+]C[C@@H](C)CCOc1cc(Cl)ccc1Cl ZINC000041352965 174531556 /nfs/dbraw/zinc/53/15/56/174531556.db2.gz LSFSAVOVEGPFEI-VIFPVBQESA-N 1 0 262.180 3.618 10 0 CHAERO FC(F)(F)c1cccc(NCC[NH+]2CCCCC2)c1 ZINC000041406387 174547372 /nfs/dbraw/zinc/54/73/72/174547372.db2.gz OMNSRIXHJSNZNL-UHFFFAOYSA-N 1 0 272.314 3.603 10 0 CHAERO COc1ccc(C[C@H](C[NH3+])Cc2cccc(C)c2)cc1F ZINC000041463987 174556327 /nfs/dbraw/zinc/55/63/27/174556327.db2.gz NLCQWBXEYAKDRA-MRXNPFEDSA-N 1 0 287.378 3.503 10 0 CHAERO COc1ccc(C)cc1[C@H](O)C[NH+](CC(C)C)CC(C)C ZINC000042249758 174665908 /nfs/dbraw/zinc/66/59/08/174665908.db2.gz BPOYOOGWUQDXMN-QGZVFWFLSA-N 1 0 293.451 3.651 10 0 CHAERO CC[NH2+][C@@H](C)c1ccccc1N(CC(C)C)C1CC1 ZINC000042557709 174794229 /nfs/dbraw/zinc/79/42/29/174794229.db2.gz GTGUUAVMTLPOIH-AWEZNQCLSA-N 1 0 260.425 3.982 10 0 CHAERO CC[C@@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)C(C)C ZINC000042585510 174807949 /nfs/dbraw/zinc/80/79/49/174807949.db2.gz NAEMEYWETYSCAR-GFCCVEGCSA-N 1 0 269.772 3.593 10 0 CHAERO COc1ccc(CC[C@H]([NH3+])c2sccc2C)cc1 ZINC000042729025 174858304 /nfs/dbraw/zinc/85/83/04/174858304.db2.gz PHWIIBUWQCRJMY-AWEZNQCLSA-N 1 0 261.390 3.698 10 0 CHAERO CCc1cc(O[C@H](C[NH3+])c2ccccc2)ccc1Cl ZINC000042900102 174905419 /nfs/dbraw/zinc/90/54/19/174905419.db2.gz XQWUITGINLWJKK-MRXNPFEDSA-N 1 0 275.779 3.981 10 0 CHAERO CC[C@H]([NH3+])[C@H](OCc1ccco1)c1ccc(C)cc1 ZINC000042916075 174916316 /nfs/dbraw/zinc/91/63/16/174916316.db2.gz DMFVRJQPIHMLJN-JKSUJKDBSA-N 1 0 259.349 3.583 10 0 CHAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC(C)CC1 ZINC000042944192 174919163 /nfs/dbraw/zinc/91/91/63/174919163.db2.gz ZFESJXMRRJQAMQ-HOTGVXAUSA-N 1 0 280.843 3.850 10 0 CHAERO COc1ccc([C@@H](SCc2ccco2)[C@H](C)[NH3+])cc1 ZINC000042964871 174928711 /nfs/dbraw/zinc/92/87/11/174928711.db2.gz GQWQMMGWKYMZMQ-NHYWBVRUSA-N 1 0 277.389 3.610 10 0 CHAERO C[C@@H]([NH3+])[C@H](Oc1cccc(Cl)c1)c1cccc(F)c1 ZINC000042973586 174937157 /nfs/dbraw/zinc/93/71/57/174937157.db2.gz ZAPWLXJDFOZPLN-BMIGLBTASA-N 1 0 279.742 3.946 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](OCc1cccs1)c1cccc(F)c1 ZINC000042974288 174937725 /nfs/dbraw/zinc/93/77/25/174937725.db2.gz ZEEJQMVUPPYLNB-CABCVRRESA-N 1 0 279.380 3.882 10 0 CHAERO CC[C@H]([NH3+])[C@H](OCC(F)(F)F)c1cccc(Cl)c1 ZINC000043017064 174943590 /nfs/dbraw/zinc/94/35/90/174943590.db2.gz ATXPFMDPRUEXSZ-WDEREUQCSA-N 1 0 281.705 3.697 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OCCC(C)C)c1ccccc1F ZINC000043047426 174957350 /nfs/dbraw/zinc/95/73/50/174957350.db2.gz FYULWZKEXDYCKP-GJZGRUSLSA-N 1 0 253.361 3.667 10 0 CHAERO CC[C@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccccc1Cl ZINC000043053506 174960822 /nfs/dbraw/zinc/96/08/22/174960822.db2.gz HWHUFVBORRDRDL-QWRGUYRKSA-N 1 0 281.705 3.697 10 0 CHAERO C[C@H]([NH3+])[C@H](Oc1cccc(F)c1)c1ccccc1Cl ZINC000043087216 174962651 /nfs/dbraw/zinc/96/26/51/174962651.db2.gz RZYSGBDAIQKPQE-BONVTDFDSA-N 1 0 279.742 3.946 10 0 CHAERO CCCCO[C@@H](c1ccccc1Cl)[C@H]([NH3+])CC ZINC000043088474 174963316 /nfs/dbraw/zinc/96/33/16/174963316.db2.gz CSWPWESDLAZVHE-KGLIPLIRSA-N 1 0 255.789 3.935 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(OC)cc1)c1cccs1 ZINC000043108770 174973634 /nfs/dbraw/zinc/97/36/34/174973634.db2.gz JGKQSFPUKUUAEA-DZGCQCFKSA-N 1 0 277.389 3.614 10 0 CHAERO CC[C@@H](C)Oc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH2+]C ZINC000043460238 175051117 /nfs/dbraw/zinc/05/11/17/175051117.db2.gz GBNYNMCNORNGSX-RISCZKNCSA-N 1 0 263.381 3.686 10 0 CHAERO C[NH2+][C@@H]1CCCCC[C@H]1CCCOCC(F)(F)F ZINC000043650727 175085608 /nfs/dbraw/zinc/08/56/08/175085608.db2.gz DVDMKRZPIWKSEP-NWDGAFQWSA-N 1 0 267.335 3.514 10 0 CHAERO C[C@@H]1CC[C@H]([NH3+])[C@H](Cc2ccccc2Br)C1 ZINC000043652656 175085623 /nfs/dbraw/zinc/08/56/23/175085623.db2.gz DTWHBNIFPDVPTJ-OSMZGAPFSA-N 1 0 282.225 3.755 10 0 CHAERO CC[NH2+][C@H](C)[C@@H](C)Cc1cc(Br)cs1 ZINC000043688064 175095055 /nfs/dbraw/zinc/09/50/55/175095055.db2.gz VHFOVTBYZLNDGE-DTWKUNHWSA-N 1 0 276.243 3.687 10 0 CHAERO CC(C)Oc1ccc([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121901 175143085 /nfs/dbraw/zinc/14/30/85/175143085.db2.gz IQSLOBUTJPJQFO-DAYGRLMNSA-N 1 0 291.435 3.770 10 0 CHAERO FC(F)(F)c1cc([C@H]2CC[NH2+]2)cc(C(F)(F)F)c1 ZINC000044257446 175156779 /nfs/dbraw/zinc/15/67/79/175156779.db2.gz CJYXEHGGORAFSV-SECBINFHSA-N 1 0 269.188 3.759 10 0 in-vitro CHAERO C[C@@H]([NH3+])c1ccccc1N1CCC[C@@H]1C1CCCC1 ZINC000045074420 175302479 /nfs/dbraw/zinc/30/24/79/175302479.db2.gz SFJIYDAWACIJLN-CZUORRHYSA-N 1 0 258.409 3.865 10 0 CHAERO Cc1nc(-c2ccc(C)cc2)sc1C[NH2+]C(C)C ZINC000045205716 175327867 /nfs/dbraw/zinc/32/78/67/175327867.db2.gz ZFBISEZKLJQNQK-UHFFFAOYSA-N 1 0 260.406 3.925 10 0 CHAERO COc1cc2c(cc1Cl)CC[NH2+][C@H]2c1ccccc1 ZINC000045287090 175353980 /nfs/dbraw/zinc/35/39/80/175353980.db2.gz SHKRYSPHCKMQQR-INIZCTEOSA-N 1 0 273.763 3.584 10 0 CHAERO Clc1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000057353438 175594565 /nfs/dbraw/zinc/59/45/65/175594565.db2.gz BCXQNBBUJUFWAE-UHFFFAOYSA-N 1 0 285.778 3.549 10 0 CHAERO CC(C)C[C@@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000070821351 176007706 /nfs/dbraw/zinc/00/77/06/176007706.db2.gz SSFOARWLOUUERI-ZDUSSCGKSA-N 1 0 268.198 3.682 10 0 CHAERO C[C@H]([NH3+])c1csc(-c2cccc(Br)c2)n1 ZINC000070840226 176008307 /nfs/dbraw/zinc/00/83/07/176008307.db2.gz GKSVCITVIVCOIQ-ZETCQYMHSA-N 1 0 283.194 3.592 10 0 CHAERO CCC[NH2+][C@H](CCc1ccc(F)cc1F)C1CC1 ZINC000070940907 176014869 /nfs/dbraw/zinc/01/48/69/176014869.db2.gz UHGBQVPPSRIESR-OAHLLOKOSA-N 1 0 253.336 3.676 10 0 CHAERO CC(C)(C)c1ccccc1N1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000071174498 176053439 /nfs/dbraw/zinc/05/34/39/176053439.db2.gz QYZGCLNNDFUMDL-AWEZNQCLSA-N 1 0 272.436 3.562 10 0 CHAERO c1ccc(-c2ccc([C@@H]3CSCC[NH2+]3)cc2)cc1 ZINC000071203261 176078602 /nfs/dbraw/zinc/07/86/02/176078602.db2.gz ORIPEASRUZNUSE-INIZCTEOSA-N 1 0 255.386 3.731 10 0 CHAERO CC[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000071301638 176114104 /nfs/dbraw/zinc/11/41/04/176114104.db2.gz BHAJPTNHPWKFQI-KBPBESRZSA-N 1 0 288.218 3.805 10 0 CHAERO CC(C)[NH2+]Cc1ccc(OC(C)C)c(C(F)(F)F)c1 ZINC000071398741 176151926 /nfs/dbraw/zinc/15/19/26/176151926.db2.gz YENLOJMZPBCTKZ-UHFFFAOYSA-N 1 0 275.314 3.991 10 0 CHAERO CC(C)Oc1ccc([C@@H](C)CCC[NH3+])cc1Cl ZINC000071577227 176205415 /nfs/dbraw/zinc/20/54/15/176205415.db2.gz OQNQUQSZNLKPKG-NSHDSACASA-N 1 0 255.789 3.970 10 0 CHAERO COc1cc(C)c([C@@H](C)CCCC[NH3+])cc1Cl ZINC000071577201 176205615 /nfs/dbraw/zinc/20/56/15/176205615.db2.gz ZIECMWISKKLNBU-JTQLQIEISA-N 1 0 255.789 3.890 10 0 CHAERO [NH3+]CCCCCCc1ccccc1Br ZINC000071577345 176205940 /nfs/dbraw/zinc/20/59/40/176205940.db2.gz MVJRLCXZZUAYJY-UHFFFAOYSA-N 1 0 256.187 3.511 10 0 CHAERO [NH3+]CC[C@@H](c1ccc(OC2CCCC2)cc1)C1CC1 ZINC000071585737 176211527 /nfs/dbraw/zinc/21/15/27/176211527.db2.gz JAWQSKFNLKECLF-QGZVFWFLSA-N 1 0 259.393 3.850 10 0 CHAERO CCCCc1ccc([C@@H]([C@@H](C)N)[NH+]2CCCC2)cc1 ZINC000071587072 176214007 /nfs/dbraw/zinc/21/40/07/176214007.db2.gz AVRPZTCMOASPCP-RHSMWYFYSA-N 1 0 260.425 3.513 10 0 CHAERO COc1cc(C)c([C@H](CC[NH3+])C2CC2)cc1C(C)C ZINC000071588044 176215549 /nfs/dbraw/zinc/21/55/49/176215549.db2.gz SQPXNJGDGCNJPT-CQSZACIVSA-N 1 0 261.409 3.969 10 0 CHAERO CC[NH2+][C@@H](CC)C(=O)c1cc(C(C)(C)C)ccc1C ZINC000071587968 176215602 /nfs/dbraw/zinc/21/56/02/176215602.db2.gz IXZWJRMYIXJSAL-HNNXBMFYSA-N 1 0 261.409 3.863 10 0 CHAERO CC(C)Oc1ccc(CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000071588137 176215903 /nfs/dbraw/zinc/21/59/03/176215903.db2.gz LHPAMCCNUCDHHE-MRXNPFEDSA-N 1 0 261.409 3.796 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2c1ccc(F)cc1 ZINC000071642245 176239156 /nfs/dbraw/zinc/23/91/56/176239156.db2.gz YVPHGVTWFKBXOQ-KRWDZBQOSA-N 1 0 285.362 3.805 10 0 CHAERO Cc1cccc([C@H](C[NH3+])CCOc2ccccc2)c1 ZINC000076660451 177048518 /nfs/dbraw/zinc/04/85/18/177048518.db2.gz AQTYJCMPMFVSPI-INIZCTEOSA-N 1 0 255.361 3.506 10 0 CHAERO C[C@H](c1ccccc1)[N@H+](CCN)CC1CCCCC1 ZINC000076671513 177053820 /nfs/dbraw/zinc/05/38/20/177053820.db2.gz ZSSYZPQOTOOIPI-OAHLLOKOSA-N 1 0 260.425 3.589 10 0 CHAERO Cc1cc([C@@H](CC[NH3+])CCc2ccco2)ccc1F ZINC000076672499 177054186 /nfs/dbraw/zinc/05/41/86/177054186.db2.gz XDMZVPBMOFRUGH-CYBMUJFWSA-N 1 0 261.340 3.792 10 0 CHAERO [NH3+]CC[C@H](CCc1ccco1)c1cc(F)ccc1F ZINC000076680805 177058355 /nfs/dbraw/zinc/05/83/55/177058355.db2.gz GYBRBDIQYIFTOE-NSHDSACASA-N 1 0 265.303 3.623 10 0 CHAERO CCCOc1cccc(-c2nc([C@@H](C)[NH3+])cs2)c1 ZINC000076784692 177092404 /nfs/dbraw/zinc/09/24/04/177092404.db2.gz XCIAQEBELXKFFU-SNVBAGLBSA-N 1 0 262.378 3.619 10 0 CHAERO [NH3+]C[C@@H](c1cccs1)c1ccc(Br)s1 ZINC000076805094 177099849 /nfs/dbraw/zinc/09/98/49/177099849.db2.gz BTRLRHYGUVNQLJ-ZETCQYMHSA-N 1 0 288.235 3.663 10 0 CHAERO C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCS1 ZINC000171699609 335075053 /nfs/dbraw/zinc/07/50/53/335075053.db2.gz SBJUERYZUFRMKY-LBPRGKRZSA-N 1 0 290.457 3.747 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCSc2ccccc21 ZINC000037166847 260072121 /nfs/dbraw/zinc/07/21/21/260072121.db2.gz NNPWUKPMONCAKU-HOCLYGCPSA-N 1 0 292.492 3.789 10 0 CHAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CCc2ccccc2)o1 ZINC000220880711 260140450 /nfs/dbraw/zinc/14/04/50/260140450.db2.gz BOGMYKJSJWMDDM-JSGCOSHPSA-N 1 0 258.365 3.655 10 0 CHAERO Cc1cc(C)cc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070159 260151243 /nfs/dbraw/zinc/15/12/43/260151243.db2.gz YGUNHGRQPJXAKV-MRXNPFEDSA-N 1 0 253.345 3.527 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)[C@H](C)C1 ZINC000070110583 260151315 /nfs/dbraw/zinc/15/13/15/260151315.db2.gz CFHAUYKQAREACA-LUYZLQTOSA-N 1 0 286.419 3.509 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)C1 ZINC000080427515 260180718 /nfs/dbraw/zinc/18/07/18/260180718.db2.gz YXCKZZCHCUZJQX-PMPSAXMXSA-N 1 0 276.424 3.585 10 0 CHAERO CC1CCC(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000312686899 260190771 /nfs/dbraw/zinc/19/07/71/260190771.db2.gz DRHJTAIAJYKOKY-NHHFINERSA-N 1 0 279.468 3.828 10 0 CHAERO CC(C)n1cncc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000090207903 260239462 /nfs/dbraw/zinc/23/94/62/260239462.db2.gz NZIDGBXKSVJINE-LLVKDONJSA-N 1 0 279.334 3.593 10 0 CHAERO CCCC1(C[NH2+][C@@H](C)c2c(C)nn(CC)c2C)CC1 ZINC000090402101 260258904 /nfs/dbraw/zinc/25/89/04/260258904.db2.gz KLBAOUFYSNTFBS-LBPRGKRZSA-N 1 0 263.429 3.751 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000091024680 260265100 /nfs/dbraw/zinc/26/51/00/260265100.db2.gz JNUSEZDUCZRWHQ-LBPRGKRZSA-N 1 0 276.355 3.507 10 0 CHAERO CC1CCC(C[NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000092300925 260268616 /nfs/dbraw/zinc/26/86/16/260268616.db2.gz IWFAZABMUIJYKY-YMAMQOFZSA-N 1 0 259.393 3.579 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2C(C)(C)C2(C)C)c1C ZINC000092815173 260272132 /nfs/dbraw/zinc/27/21/32/260272132.db2.gz JTRGCCIQSYPKCR-LLVKDONJSA-N 1 0 277.456 3.853 10 0 CHAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000040502404 260285350 /nfs/dbraw/zinc/28/53/50/260285350.db2.gz JKTBDGYELGTBEZ-DZGCQCFKSA-N 1 0 272.392 3.568 10 0 CHAERO Fc1ccc(CN[C@@H]2COc3ccccc32)cc1Cl ZINC000129014118 260380388 /nfs/dbraw/zinc/38/03/88/260380388.db2.gz AZSDUZWUCMNQCR-CQSZACIVSA-N 1 0 277.726 3.702 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000090714305 260387776 /nfs/dbraw/zinc/38/77/76/260387776.db2.gz LNGWFXXEDTXYHS-PBHICJAKSA-N 1 0 268.404 3.946 10 0 CHAERO CCCCN(CCCC)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130125175 260394318 /nfs/dbraw/zinc/39/43/18/260394318.db2.gz CJUXXFGANMMKGK-NVXWUHKLSA-N 1 0 290.451 3.751 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)Cc2ccc(C)s2)c1 ZINC000091015875 260434031 /nfs/dbraw/zinc/43/40/31/260434031.db2.gz XCVZGJSVELTYCA-ZDUSSCGKSA-N 1 0 276.449 3.989 10 0 CHAERO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2c[nH]nc2C)o1 ZINC000093459159 260518887 /nfs/dbraw/zinc/51/88/87/260518887.db2.gz WYWVSESSFITJTG-HNNXBMFYSA-N 1 0 273.380 3.601 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)C1CCCCC1 ZINC000052334017 261084488 /nfs/dbraw/zinc/08/44/88/261084488.db2.gz LJEAPAIYZSOJNH-CZUORRHYSA-N 1 0 286.419 3.653 10 0 CHAERO c1coc([C@H]([NH2+]CCc2ccncc2)c2ccccc2)c1 ZINC000052684675 261114938 /nfs/dbraw/zinc/11/49/38/261114938.db2.gz LCJWANZZHPXMQH-GOSISDBHSA-N 1 0 278.355 3.596 10 0 CHAERO C[C@H](CCn1cccn1)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000158978211 261174890 /nfs/dbraw/zinc/17/48/90/261174890.db2.gz FCDRROFBVCOLCH-ZBFHGGJFSA-N 1 0 299.418 3.554 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)ccc3C)C2)c1 ZINC000106225154 261323397 /nfs/dbraw/zinc/32/33/97/261323397.db2.gz IZUIRIOADIQMTM-GOSISDBHSA-N 1 0 283.419 3.645 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccco1 ZINC000178065303 261375813 /nfs/dbraw/zinc/37/58/13/261375813.db2.gz WJOQXYVXNGWUIR-UONOGXRCSA-N 1 0 259.349 3.536 10 0 CHAERO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCOc2ccccc21 ZINC000178468713 261394141 /nfs/dbraw/zinc/39/41/41/261394141.db2.gz XJAOZTDCRRIEOY-DYVFJYSZSA-N 1 0 285.362 3.870 10 0 CHAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccccn1)[C@H](C)C2 ZINC000180227485 261848345 /nfs/dbraw/zinc/84/83/45/261848345.db2.gz USDZLMRQSONSDQ-QWQRMKEZSA-N 1 0 266.388 3.974 10 0 CHAERO COC1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000183159428 261965202 /nfs/dbraw/zinc/96/52/02/261965202.db2.gz WSDZZGJYBZSKAF-ZBCRRDGASA-N 1 0 289.419 3.836 10 0 CHAERO Clc1cccc(C[N@@H+]2CCCC23CCCC3)n1 ZINC000310462016 262159427 /nfs/dbraw/zinc/15/94/27/262159427.db2.gz YDAIDCIHHJLNCE-UHFFFAOYSA-N 1 0 250.773 3.644 10 0 CHAERO Cc1cc(C[NH2+][C@@H](C)COCc2ccccc2)cs1 ZINC000390577381 262221337 /nfs/dbraw/zinc/22/13/37/262221337.db2.gz XHRFJFYDKHIIOB-ZDUSSCGKSA-N 1 0 275.417 3.751 10 0 CHAERO Cc1ccc(C[NH2+][C@@H](C)COCc2ccccc2)cc1C ZINC000390575131 262221825 /nfs/dbraw/zinc/22/18/25/262221825.db2.gz VVVALTXZPBRZHS-KRWDZBQOSA-N 1 0 283.415 3.998 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000390576119 262221976 /nfs/dbraw/zinc/22/19/76/262221976.db2.gz FQOZRVCAMQTQIH-HOTGVXAUSA-N 1 0 269.388 3.943 10 0 CHAERO CC(C)C1CC([NH2+][C@H](C)COCc2ccccc2)C1 ZINC000390596409 262224397 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CHAERO CC[C@H]([NH2+]Cc1cc(Cl)c(OC)c(OC)c1)C(C)C ZINC000049127681 328341672 /nfs/dbraw/zinc/34/16/72/328341672.db2.gz QHECATDZVHZPHL-ZDUSSCGKSA-N 1 0 285.815 3.881 10 0 CHAERO COc1ccccc1C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000036842401 326829054 /nfs/dbraw/zinc/82/90/54/326829054.db2.gz ZYGBDAZEFFBNPR-UHFFFAOYSA-N 1 0 285.362 3.870 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+]CC[C@H](C)c2ccccc2)o1 ZINC000220931624 326890843 /nfs/dbraw/zinc/89/08/43/326890843.db2.gz QDMPCRZXIIZRBC-GXTWGEPZSA-N 1 0 258.365 3.827 10 0 CHAERO COc1ccccc1C[C@@H]([NH2+]C[C@H](C)SC)C(C)C ZINC000090725042 326929688 /nfs/dbraw/zinc/92/96/88/326929688.db2.gz BVWOXJPXZZZMNZ-DZGCQCFKSA-N 1 0 281.465 3.603 10 0 CHAERO COc1cc([C@@H](C)[NH2+][C@@H]2COc3ccccc32)ccc1F ZINC000092825396 327103879 /nfs/dbraw/zinc/10/38/79/327103879.db2.gz DZVMSFXYULXTLJ-IAQYHMDHSA-N 1 0 287.334 3.619 10 0 CHAERO C[C@H](CCC(C)(C)C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000560235276 327291703 /nfs/dbraw/zinc/29/17/03/327291703.db2.gz GMGYQFNJSAVPMO-RDBSUJKOSA-N 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DJOREAQRQQKVAX-INIZCTEOSA-N 1 0 271.360 3.763 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@H]1CCCO1 ZINC000180791887 329223205 /nfs/dbraw/zinc/22/32/05/329223205.db2.gz PBDBXPVVIIEXJP-CZUORRHYSA-N 1 0 287.359 3.729 10 0 CHAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000182312005 329241461 /nfs/dbraw/zinc/24/14/61/329241461.db2.gz BDVBGNGJRRARAL-OAHLLOKOSA-N 1 0 269.344 3.690 10 0 CHAERO CC/C=C/CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000184494334 329260888 /nfs/dbraw/zinc/26/08/88/329260888.db2.gz MLDXTHZZQMDQRC-ITDFMYJTSA-N 1 0 250.411 3.679 10 0 CHAERO ClC(Cl)(Cl)CC[N@@H+]1CCC2(CCC2)C1 ZINC000184615618 329261299 /nfs/dbraw/zinc/26/12/99/329261299.db2.gz VPILEMXZVQLABQ-UHFFFAOYSA-N 1 0 256.604 3.623 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCSCC2)o1 ZINC000186934436 329350502 /nfs/dbraw/zinc/35/05/02/329350502.db2.gz GQOOCQMNDJNAKZ-NEPJUHHUSA-N 1 0 253.411 3.770 10 0 CHAERO Cc1ccc2[nH+]ccc(N3CCC[C@@H]3c3cnn(C)c3)c2c1 ZINC000185630064 329328103 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ZINC000247225516 329877607 /nfs/dbraw/zinc/87/76/07/329877607.db2.gz YAJGUPLJKGGFJJ-TZMCWYRMSA-N 1 0 295.496 3.710 10 0 CHAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)s1 ZINC000247217124 329877754 /nfs/dbraw/zinc/87/77/54/329877754.db2.gz WEKLALCZBJVAED-DGAVXFQQSA-N 1 0 265.422 3.665 10 0 CHAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC(C)(C)C1 ZINC000247667470 329884056 /nfs/dbraw/zinc/88/40/56/329884056.db2.gz YYOBEIBXQJEZNN-WBTNSWJXSA-N 1 0 297.508 3.846 10 0 CHAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248794023 329899314 /nfs/dbraw/zinc/89/93/14/329899314.db2.gz IZLZXEHNINMMOW-BMGDILEWSA-N 1 0 273.420 3.912 10 0 CHAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1cccc2ccccc21 ZINC000396726236 330223854 /nfs/dbraw/zinc/22/38/54/330223854.db2.gz UHZGNTAFIUMKCX-DEYYWGMASA-N 1 0 268.404 3.631 10 0 CHAERO CC(C)n1cncc1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000424157027 330304429 /nfs/dbraw/zinc/30/44/29/330304429.db2.gz QHSRSEMEUSDDNG-MRXNPFEDSA-N 1 0 299.418 3.856 10 0 CHAERO [NH3+]CC[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087761855 330374207 /nfs/dbraw/zinc/37/42/07/330374207.db2.gz FFWJWGIXSFFLAF-CYBMUJFWSA-N 1 0 287.234 3.697 10 0 CHAERO CC(C)(C)c1ccc2[nH]c(C(F)(F)F)c(CC[NH3+])c2c1 ZINC000536960123 330384172 /nfs/dbraw/zinc/38/41/72/330384172.db2.gz NFGBKAKBVRVKMQ-UHFFFAOYSA-N 1 0 284.325 3.985 10 0 CHAERO C1=CC[C@@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)CC1 ZINC000120852246 330393102 /nfs/dbraw/zinc/39/31/02/330393102.db2.gz YBTNMDUQSZWSFS-CYBMUJFWSA-N 1 0 287.407 3.662 10 0 CHAERO CCc1oc2ccccc2c1C[NH+]1CCC([C@H](C)O)CC1 ZINC000092969933 330415169 /nfs/dbraw/zinc/41/51/69/330415169.db2.gz IOBDKRAIJXPGDC-ZDUSSCGKSA-N 1 0 287.403 3.588 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccccn2)c2ccccc21 ZINC000149236702 330573926 /nfs/dbraw/zinc/57/39/26/330573926.db2.gz SCFUGXSBKXZUAM-DYVFJYSZSA-N 1 0 252.361 3.810 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000153745169 330648055 /nfs/dbraw/zinc/64/80/55/330648055.db2.gz YUFQFLAVTLJQEX-FIXISWKDSA-N 1 0 285.790 3.681 10 0 CHAERO CCOCCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156721593 330745170 /nfs/dbraw/zinc/74/51/70/330745170.db2.gz NVVYDEDBSQBZFP-MRXNPFEDSA-N 1 0 261.409 3.716 10 0 CHAERO COCCCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156739282 330745482 /nfs/dbraw/zinc/74/54/82/330745482.db2.gz WFPDDAUQVYWPRH-INIZCTEOSA-N 1 0 261.409 3.716 10 0 CHAERO CCOC[C@H](C)[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156740018 330745520 /nfs/dbraw/zinc/74/55/20/330745520.db2.gz JVZXWACBIVSUDN-BBRMVZONSA-N 1 0 261.409 3.715 10 0 CHAERO Cc1ccc(C)c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000466407995 331395484 /nfs/dbraw/zinc/39/54/84/331395484.db2.gz DKFFUMJQJSSWGI-HUUCEWRRSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@@H]1CC(C[NH2+]CC2CCCCCC2)C[C@@H](C)O1 ZINC000466410159 331395669 /nfs/dbraw/zinc/39/56/69/331395669.db2.gz PAHCXLVNBLKCED-ZIAGYGMSSA-N 1 0 253.430 3.750 10 0 CHAERO CC(C)C1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000466410517 331395674 /nfs/dbraw/zinc/39/56/74/331395674.db2.gz RJZZFLHGJGWGNK-JCAIJIATSA-N 1 0 267.457 3.994 10 0 CHAERO Cc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000466422873 331396445 /nfs/dbraw/zinc/39/64/45/331396445.db2.gz AVUUULRRNADVEU-GJZGRUSLSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC000466424909 331396531 /nfs/dbraw/zinc/39/65/31/331396531.db2.gz JWTXFLIRPCLCIF-RYUDHWBXSA-N 1 0 296.480 3.734 10 0 CHAERO Cc1cccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1C ZINC000466426247 331396672 /nfs/dbraw/zinc/39/66/72/331396672.db2.gz SKUUODZGHNOORC-KBPBESRZSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)[C@H]1CCCCO1 ZINC000466471176 331397919 /nfs/dbraw/zinc/39/79/19/331397919.db2.gz RIKBLRLTQPZVKH-GFJIZPEISA-N 1 0 293.373 3.902 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C[C@@H](C)O1 ZINC000467456538 331420192 /nfs/dbraw/zinc/42/01/92/331420192.db2.gz UXAIKGOAHYBJIA-UTHRFFRBSA-N 1 0 253.430 3.604 10 0 CHAERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000177410946 333058573 /nfs/dbraw/zinc/05/85/73/333058573.db2.gz CVHANIFLYUFCIZ-LSDHHAIUSA-N 1 0 298.430 3.746 10 0 CHAERO CC(C)[C@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000178215671 333069379 /nfs/dbraw/zinc/06/93/79/333069379.db2.gz DXRHMNYMQOKZHZ-UNXYVOJBSA-N 1 0 251.336 3.989 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]CCn2cc(Cl)cn2)cc1C ZINC000312025496 333075869 /nfs/dbraw/zinc/07/58/69/333075869.db2.gz WDTWWNPOECBPJS-CYBMUJFWSA-N 1 0 277.799 3.504 10 0 CHAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2cccc3ccccc32)C1 ZINC000393346159 333078100 /nfs/dbraw/zinc/07/81/00/333078100.db2.gz FWCYEOHSLIWDMV-GOEBONIOSA-N 1 0 268.404 3.585 10 0 CHAERO COCC(C)(C)C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000336843760 335120835 /nfs/dbraw/zinc/12/08/35/335120835.db2.gz XSYDOOQOADEDNV-AWEZNQCLSA-N 1 0 277.408 3.551 10 0 CHAERO CCO[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCOCC2 ZINC000186222863 333157038 /nfs/dbraw/zinc/15/70/38/333157038.db2.gz YJWNTDBNHPYCRD-SJORKVTESA-N 1 0 295.467 3.521 10 0 CHAERO CCCC(CCC)[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186311018 333158369 /nfs/dbraw/zinc/15/83/69/333158369.db2.gz RGVIHZBHMQDTFA-HZPDHXFCSA-N 1 0 283.456 3.519 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)C12CCOCC2 ZINC000186383818 333159966 /nfs/dbraw/zinc/15/99/66/333159966.db2.gz PRYNMGUDCVPYBQ-BZUAXINKSA-N 1 0 295.467 3.519 10 0 CHAERO CCCC1(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)CCC1 ZINC000186419502 333160425 /nfs/dbraw/zinc/16/04/25/333160425.db2.gz KETAEHOPKWLINB-HZPDHXFCSA-N 1 0 295.467 3.521 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)C1CCSCC1 ZINC000187260584 333169056 /nfs/dbraw/zinc/16/90/56/333169056.db2.gz DANYCPRKFRHWON-LSDHHAIUSA-N 1 0 293.476 3.713 10 0 CHAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187260554 333169100 /nfs/dbraw/zinc/16/91/00/333169100.db2.gz DANYCPRKFRHWON-GJZGRUSLSA-N 1 0 293.476 3.713 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1ccncc1 ZINC000225167401 333232351 /nfs/dbraw/zinc/23/23/51/333232351.db2.gz FYWZTTSAJWDLGP-PVAVHDDUSA-N 1 0 260.425 3.675 10 0 CHAERO Cc1csc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000195337228 333250633 /nfs/dbraw/zinc/25/06/33/333250633.db2.gz IBGBFSJFEKTLAE-AWEZNQCLSA-N 1 0 290.407 3.970 10 0 CHAERO CCC(CC)[C@@H](C[NH2+][C@@H]1CC[C@@H](CC)C1)N(C)C ZINC000227188863 333277776 /nfs/dbraw/zinc/27/77/76/333277776.db2.gz XUMNSQROPSIZLE-FVQBIDKESA-N 1 0 254.462 3.521 10 0 CHAERO Cc1cc(C)cc(N(C)C(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000229407447 333304668 /nfs/dbraw/zinc/30/46/68/333304668.db2.gz JDQHXXPWRUBQPT-UHFFFAOYSA-N 1 0 288.435 3.566 10 0 CHAERO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3)C[C@@H]21 ZINC000230125807 333314792 /nfs/dbraw/zinc/31/47/92/333314792.db2.gz MHKFWAOGSZMWSL-TUKIKUTGSA-N 1 0 299.245 3.553 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000231673203 333327291 /nfs/dbraw/zinc/32/72/91/333327291.db2.gz KSFMDOOGJRIWHX-HUUCEWRRSA-N 1 0 277.408 3.761 10 0 CHAERO Cc1nocc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000339175866 335142111 /nfs/dbraw/zinc/14/21/11/335142111.db2.gz ISAXBBPSQDODAI-JISDDCRVSA-N 1 0 274.408 3.678 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037166849 333506771 /nfs/dbraw/zinc/50/67/71/333506771.db2.gz RLTALZZXLMGALN-JSGCOSHPSA-N 1 0 284.394 3.592 10 0 CHAERO CCOC1CC([NH2+][C@H](C)c2ccccc2Br)C1 ZINC000124761316 333561486 /nfs/dbraw/zinc/56/14/86/333561486.db2.gz AMFOZGNEKSJWOS-VOMCLLRMSA-N 1 0 298.224 3.667 10 0 CHAERO Cc1ccsc1[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000070091522 333798942 /nfs/dbraw/zinc/79/89/42/333798942.db2.gz QSIDQEULRWNHLQ-ZIAGYGMSSA-N 1 0 268.470 3.683 10 0 CHAERO COC1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000129922339 333799657 /nfs/dbraw/zinc/79/96/57/333799657.db2.gz VMRFWTFAVGJNBR-LMCYLSQRSA-N 1 0 267.457 3.994 10 0 CHAERO C[C@@H]([NH2+]CC1(O)CCC1)c1c(Cl)ccc(F)c1Cl ZINC000130792982 333875049 /nfs/dbraw/zinc/87/50/49/333875049.db2.gz ABAWFQNZMUQJEY-MRVPVSSYSA-N 1 0 292.181 3.698 10 0 CHAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000136141711 334148068 /nfs/dbraw/zinc/14/80/68/334148068.db2.gz CBSLYEHTGGNMHY-RDTXWAMCSA-N 1 0 288.435 3.519 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc(Cl)c1 ZINC000246943507 334272350 /nfs/dbraw/zinc/27/23/50/334272350.db2.gz OLKJLAZGMTVMEU-NJZAAPMLSA-N 1 0 267.800 3.542 10 0 CHAERO CC(C)(C)CC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246756720 334268999 /nfs/dbraw/zinc/26/89/99/334268999.db2.gz QMSURONWMOBLBN-WFASDCNBSA-N 1 0 283.362 3.509 10 0 CHAERO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000247936543 334291842 /nfs/dbraw/zinc/29/18/42/334291842.db2.gz COCFUQQEUJTAND-AJNGGQMLSA-N 1 0 255.446 3.588 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c2ccccc12 ZINC000247977636 334292723 /nfs/dbraw/zinc/29/27/23/334292723.db2.gz HZXDXIJTQVGIBB-DOPJRALCSA-N 1 0 299.414 3.803 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc(Cl)c1 ZINC000247998158 334293273 /nfs/dbraw/zinc/29/32/73/334293273.db2.gz KBHGQXJMOVXZHM-WHOFXGATSA-N 1 0 267.800 3.542 10 0 CHAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)s1 ZINC000248175982 334296416 /nfs/dbraw/zinc/29/64/16/334296416.db2.gz VOGKUISAILSFPY-SGMGOOAPSA-N 1 0 267.438 3.512 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1csc(Cl)c1 ZINC000248675994 334312746 /nfs/dbraw/zinc/31/27/46/334312746.db2.gz AEQKWHOMPDWBJJ-HOSYDEDBSA-N 1 0 273.829 3.603 10 0 CHAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCO[C@H]2CCCCO2)o1 ZINC000248857464 334319803 /nfs/dbraw/zinc/31/98/03/334319803.db2.gz ZIMAKUVHXBZTGY-WBVHZDCISA-N 1 0 293.407 3.658 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCCC(C)C)C12CCOCC2 ZINC000248973407 334323560 /nfs/dbraw/zinc/32/35/60/334323560.db2.gz HCNNIQOCEVIVQH-IXDOHACOSA-N 1 0 297.483 3.765 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000249464337 334334473 /nfs/dbraw/zinc/33/44/73/334334473.db2.gz GJILYUGRGDNOGL-FDOIEUKUSA-N 1 0 286.238 3.960 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CC(C2CC2)C2CC2)c1C ZINC000088455564 334338658 /nfs/dbraw/zinc/33/86/58/334338658.db2.gz AHQRSCUSYHWJCD-LLVKDONJSA-N 1 0 275.440 3.607 10 0 CHAERO Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000250881117 334352610 /nfs/dbraw/zinc/35/26/10/334352610.db2.gz VQCSUUZATHMKTO-XOKHGSTOSA-N 1 0 260.425 3.940 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1C ZINC000251060419 334355509 /nfs/dbraw/zinc/35/55/09/334355509.db2.gz GCLFZOQHRILDJI-LZLYRXPVSA-N 1 0 275.436 3.814 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000251597122 334365029 /nfs/dbraw/zinc/36/50/29/334365029.db2.gz COCUVJUCJJNKQE-KNCCTNLNSA-N 1 0 273.420 3.766 10 0 CHAERO C[C@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)c3ccccc32)C[C@@H](C)C1 ZINC000252180401 334375924 /nfs/dbraw/zinc/37/59/24/334375924.db2.gz SUQHJCYFEGSDMZ-NHIYQJMISA-N 1 0 286.419 3.509 10 0 CHAERO C[C@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)[C@H]1CCCO1 ZINC000252700815 334385716 /nfs/dbraw/zinc/38/57/16/334385716.db2.gz BGERBPYLYUOVBZ-XKQJLSEDSA-N 1 0 273.420 3.857 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC000383549533 336113672 /nfs/dbraw/zinc/11/36/72/336113672.db2.gz SEBIWVXQHZFLLO-KZNAEPCWSA-N 1 0 279.468 3.972 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2CC(C)C)c1C ZINC000385789487 336156973 /nfs/dbraw/zinc/15/69/73/336156973.db2.gz DRRCVUSZLOLZNL-NILFDRSVSA-N 1 0 263.429 3.605 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CC23CCCC3)c1C ZINC000387162306 336186735 /nfs/dbraw/zinc/18/67/35/336186735.db2.gz RIVAYRZPHKIBOE-RISCZKNCSA-N 1 0 261.413 3.503 10 0 CHAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc(SC(F)(F)F)cc1 ZINC000054929532 519224708 /nfs/dbraw/zinc/22/47/08/519224708.db2.gz WWLLJOYYJPQQHT-VXGBXAGGSA-N 1 0 293.354 3.705 10 0 CHAERO CC(C)C[NH2+]CCC[C@H](C)n1ncc2ccccc21 ZINC000052574191 519743850 /nfs/dbraw/zinc/74/38/50/519743850.db2.gz MGNCMEMTRQHMFX-AWEZNQCLSA-N 1 0 259.397 3.623 10 0 CHAERO CC(C)C[NH2+]C[C@H](C)Cc1ccc(F)cc1Cl ZINC000052967238 519745625 /nfs/dbraw/zinc/74/56/25/519745625.db2.gz LWUHMWKBUODUHB-LLVKDONJSA-N 1 0 257.780 3.903 10 0 CHAERO CC[NH2+][C@H](C)c1sc(N(C)C2CCCC2)nc1C ZINC000054902531 520183384 /nfs/dbraw/zinc/18/33/84/520183384.db2.gz ACXWEDRCYCWCFX-SNVBAGLBSA-N 1 0 267.442 3.501 10 0 CHAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1ccc(F)cc1C ZINC000055268845 520204182 /nfs/dbraw/zinc/20/41/82/520204182.db2.gz VPQHFNMJIPGDSV-CQSZACIVSA-N 1 0 278.396 3.792 10 0 CHAERO CCCc1nc(N2CCCC[C@H]2C)sc1C[NH2+]C(C)C ZINC000054995263 521530892 /nfs/dbraw/zinc/53/08/92/521530892.db2.gz PIRJDAVKFWHBBU-CYBMUJFWSA-N 1 0 295.496 3.972 10 0 CHAERO C[NH2+]Cc1nc(CO[C@H]2C[C@@H](C)CC(C)(C)C2)cs1 ZINC000052629087 522152603 /nfs/dbraw/zinc/15/26/03/522152603.db2.gz FMMKTQROGGQUFX-YPMHNXCESA-N 1 0 282.453 3.594 10 0 CHAERO CC(C)(C)c1cccc(OCCC[C@H]2CCC[NH2+]2)c1 ZINC000052765125 519056048 /nfs/dbraw/zinc/05/60/48/519056048.db2.gz CTCNPDZCRBTROA-OAHLLOKOSA-N 1 0 261.409 3.895 10 0 CHAERO CC(C)C[C@@H]1[NH2+]CC[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054929078 519281111 /nfs/dbraw/zinc/28/11/11/519281111.db2.gz PDMHBIGGTUDGDB-KGLIPLIRSA-N 1 0 269.335 3.780 10 0 CHAERO CC(C)N(C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1)C(C)C ZINC000102686022 519557606 /nfs/dbraw/zinc/55/76/06/519557606.db2.gz REXDOHGNDUCWNX-ZDUSSCGKSA-N 1 0 296.842 3.636 10 0 CHAERO CC(C)N1C[C@H](Cc2ccccc2)[NH2+]Cc2ccccc21 ZINC000062671277 519695801 /nfs/dbraw/zinc/69/58/01/519695801.db2.gz WOMLGRUMIDVSOM-SFHVURJKSA-N 1 0 280.415 3.616 10 0 CHAERO CC(C)[NH2+]CC1(O[C@@H]2CCC[C@@H](C)C2)CCCC1 ZINC000050497717 519720325 /nfs/dbraw/zinc/72/03/25/519720325.db2.gz UWHAARWINXDDGW-HUUCEWRRSA-N 1 0 253.430 3.893 10 0 CHAERO CC(C)[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000053010687 519723589 /nfs/dbraw/zinc/72/35/89/519723589.db2.gz YIBUUSZTFAEGHK-NSHDSACASA-N 1 0 287.234 3.818 10 0 CHAERO CC(C)[NH2+]C[C@H]1CCN(c2cc(Cl)cc(Cl)c2)C1 ZINC000053010735 519725454 /nfs/dbraw/zinc/72/54/54/519725454.db2.gz BSVQJODYKUONHZ-LLVKDONJSA-N 1 0 287.234 3.818 10 0 CHAERO CC(C)[NH2+]Cc1ccnc(OC2CCCCCC2)c1 ZINC000051549123 519727865 /nfs/dbraw/zinc/72/78/65/519727865.db2.gz MWTYFIZWYRAGNE-UHFFFAOYSA-N 1 0 262.397 3.681 10 0 CHAERO CC(C)CO[C@H](C[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000050492237 519761467 /nfs/dbraw/zinc/76/14/67/519761467.db2.gz TZXMDNVDMUAKHG-OAHLLOKOSA-N 1 0 267.800 3.806 10 0 CHAERO CC(C)C[C@@H](C)OCc1ccoc1C[NH2+]C(C)C ZINC000052603390 519774119 /nfs/dbraw/zinc/77/41/19/519774119.db2.gz OHDYGMALOAOMIB-CYBMUJFWSA-N 1 0 253.386 3.729 10 0 CHAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289525912 519792491 /nfs/dbraw/zinc/79/24/91/519792491.db2.gz AZAZICLUDGVCGT-NXEZZACHSA-N 1 0 271.202 3.539 10 0 CHAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@H+](C)[C@@H](C)C(C)(C)C)C1 ZINC000054559123 519801761 /nfs/dbraw/zinc/80/17/61/519801761.db2.gz SGDFPPDAOSLKFU-ZNMIVQPWSA-N 1 0 267.457 3.994 10 0 CHAERO CC(C)[C@@H]1C[N@H+](C2CCCCC2)[C@H](c2ccccc2)CN1 ZINC000062673057 519804344 /nfs/dbraw/zinc/80/43/44/519804344.db2.gz YQIMQFTVUJJCKW-OALUTQOASA-N 1 0 286.463 3.990 10 0 CHAERO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)[C@H](C(C)C)CN1 ZINC000062668248 519804653 /nfs/dbraw/zinc/80/46/53/519804653.db2.gz VDQIOPDCNGLGQG-SZMVWBNQSA-N 1 0 274.452 3.702 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccc(Cl)cc1 ZINC000062708913 519804729 /nfs/dbraw/zinc/80/47/29/519804729.db2.gz GMEHMNFWDHCHBB-SJORKVTESA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1c(F)cccc1Cl ZINC000062712340 519804840 /nfs/dbraw/zinc/80/48/40/519804840.db2.gz OHFIVQNYSKTPLT-HNNXBMFYSA-N 1 0 298.833 3.688 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000049195326 519814566 /nfs/dbraw/zinc/81/45/66/519814566.db2.gz WDYDDGFVSJOEBQ-AWEZNQCLSA-N 1 0 289.250 3.669 10 0 CHAERO CC(C)[C@H]1CCC(=O)[C@@H](C[N@H+](C)C2CCCCC2)C1 ZINC000054558912 519824451 /nfs/dbraw/zinc/82/44/51/519824451.db2.gz WGQIKSKJRUTBNP-LSDHHAIUSA-N 1 0 265.441 3.892 10 0 CHAERO CC(C)[C@H]1CN(C2CCCC2)c2ccccc2C[NH2+]1 ZINC000062626799 519826749 /nfs/dbraw/zinc/82/67/49/519826749.db2.gz BBCXXDKFVKCNSC-MRXNPFEDSA-N 1 0 258.409 3.563 10 0 CHAERO CC(C)[C@H]1C[N@H+](C2CCCC2)[C@H](c2ccccc2)CN1 ZINC000062666547 519826767 /nfs/dbraw/zinc/82/67/67/519826767.db2.gz GDCIWKGIAGRRGG-MSOLQXFVSA-N 1 0 272.436 3.600 10 0 CHAERO CC(C)[C@H]1CN(Cc2ccccc2Cl)[C@@H](C(C)C)C[NH2+]1 ZINC000062708922 519826874 /nfs/dbraw/zinc/82/68/74/519826874.db2.gz KXLQVFSHKGFSSI-IAGOWNOFSA-N 1 0 294.870 3.794 10 0 CHAERO CC(C)c1ccccc1NC1CC[NH+](C2CC2)CC1 ZINC000297663640 519846538 /nfs/dbraw/zinc/84/65/38/519846538.db2.gz JPAQWYSMXZWHQM-UHFFFAOYSA-N 1 0 258.409 3.849 10 0 CHAERO CCC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062671216 519864559 /nfs/dbraw/zinc/86/45/59/519864559.db2.gz FMOQCAAHMQYKFB-RBUKOAKNSA-N 1 0 280.415 3.784 10 0 CHAERO CCCC1CCC([NH2+]C[C@H](O)c2cccs2)CC1 ZINC000049545246 519898810 /nfs/dbraw/zinc/89/88/10/519898810.db2.gz VIUOAPPYNCPJKC-RUXDESIVSA-N 1 0 267.438 3.730 10 0 CHAERO CCC[NH2+]CCCCO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052629125 519911722 /nfs/dbraw/zinc/91/17/22/519911722.db2.gz HTDHTRCDAUTXSU-HUUCEWRRSA-N 1 0 255.446 3.998 10 0 CHAERO CCC[NH2+]C[C@@](C)(CC)CN(C)c1cccc(F)c1 ZINC000051254495 519929606 /nfs/dbraw/zinc/92/96/06/519929606.db2.gz SEDWIINEBXUULD-MRXNPFEDSA-N 1 0 266.404 3.678 10 0 CHAERO CCC[NH2+]C[C@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000053010663 519936558 /nfs/dbraw/zinc/93/65/58/519936558.db2.gz CSPUIOWPDINPDR-OAHLLOKOSA-N 1 0 274.452 3.810 10 0 CHAERO CCC[NH2+]C[C@H]1C[C@@H]1c1cc(Br)ccc1F ZINC000054592248 519939796 /nfs/dbraw/zinc/93/97/96/519939796.db2.gz UFVJKLVTTZVBGM-KOLCDFICSA-N 1 0 286.188 3.691 10 0 CHAERO CC[NH2+]C[C@@H](Oc1ccc(Cl)cc1C)C(C)C ZINC000052677577 519949474 /nfs/dbraw/zinc/94/94/74/519949474.db2.gz CAQCECLLRGHJKI-CQSZACIVSA-N 1 0 255.789 3.661 10 0 CHAERO CCC[NH2+]Cc1sc(Cc2ccc(OC)cc2)nc1C ZINC000052330581 519972930 /nfs/dbraw/zinc/97/29/30/519972930.db2.gz KZURDMDEJWYGLH-UHFFFAOYSA-N 1 0 290.432 3.551 10 0 CHAERO CC[NH2+]C[C@H](OCCC(C)C)c1ccc(F)cc1 ZINC000050493408 519973476 /nfs/dbraw/zinc/97/34/76/519973476.db2.gz YBJXHRJQKFGVLK-HNNXBMFYSA-N 1 0 253.361 3.539 10 0 CHAERO CC[NH2+]C[C@H](O[C@H](C)CC(C)C)c1cccc(F)c1 ZINC000050488822 519974300 /nfs/dbraw/zinc/97/43/00/519974300.db2.gz MMPFVFRCHKXHGL-CJNGLKHVSA-N 1 0 267.388 3.928 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCCC2(C)C)nc1CC ZINC000063074274 519974669 /nfs/dbraw/zinc/97/46/69/519974669.db2.gz JHTRZWHMXPONKP-UHFFFAOYSA-N 1 0 281.469 3.584 10 0 CHAERO CCC[NH2+]Cc1sc(N2CCCCCCC2)nc1C ZINC000054996210 519975449 /nfs/dbraw/zinc/97/54/49/519975449.db2.gz JSQJKWYZJWOTCU-UHFFFAOYSA-N 1 0 281.469 3.722 10 0 CHAERO CCC[NH2+][C@@H]1CCCc2nc(N(C)CC(C)C)sc21 ZINC000054902615 520022056 /nfs/dbraw/zinc/02/20/56/520022056.db2.gz HZFVHYYTSPKIOC-GFCCVEGCSA-N 1 0 281.469 3.612 10 0 CHAERO CCC[NH2+][C@H](C)[C@H](CC)CCCOCC(F)(F)F ZINC000049312839 520064665 /nfs/dbraw/zinc/06/46/65/520064665.db2.gz KTRKVBGQEREVQI-VXGBXAGGSA-N 1 0 269.351 3.760 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)c(Cl)c1 ZINC000061698337 520073858 /nfs/dbraw/zinc/07/38/58/520073858.db2.gz PNLVVFNCVMRMBR-JTQLQIEISA-N 1 0 263.772 3.505 10 0 CHAERO CC[NH2+][C@@H](C)c1sc(N(C)C2CCCC2)nc1C ZINC000054902529 520082234 /nfs/dbraw/zinc/08/22/34/520082234.db2.gz ACXWEDRCYCWCFX-JTQLQIEISA-N 1 0 267.442 3.501 10 0 CHAERO CCC[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1Cl ZINC000050503230 520092539 /nfs/dbraw/zinc/09/25/39/520092539.db2.gz VCCDLZABSZYIAX-GJZGRUSLSA-N 1 0 267.800 3.777 10 0 CHAERO CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(F)cc1F ZINC000050885272 520092633 /nfs/dbraw/zinc/09/26/33/520092633.db2.gz GZZBKPZYRLXYGC-DOMZBBRYSA-N 1 0 253.336 3.676 10 0 CHAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[C@@H]1CCCO1 ZINC000054630985 520121382 /nfs/dbraw/zinc/12/13/82/520121382.db2.gz KEZAQMKYDUQWSW-LVQVYYBASA-N 1 0 253.430 3.606 10 0 CHAERO CCCCCN(c1ncc([C@H](C)[NH3+])s1)C(C)C ZINC000054897775 520178558 /nfs/dbraw/zinc/17/85/58/520178558.db2.gz NMECZMNFFUTJAX-NSHDSACASA-N 1 0 255.431 3.568 10 0 CHAERO CC[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000050618660 520181956 /nfs/dbraw/zinc/18/19/56/520181956.db2.gz WYKJFWDZQARRBY-SSDOTTSWSA-N 1 0 286.162 3.714 10 0 CHAERO CCCNc1ncccc1C[N@H+](CC(C)C)C(C)C ZINC000052730103 520193661 /nfs/dbraw/zinc/19/36/61/520193661.db2.gz LTCNABPVIXALOH-UHFFFAOYSA-N 1 0 263.429 3.770 10 0 CHAERO CC[NH2+][C@H]1CCCC[C@H]1c1cc(Cl)ccc1OC ZINC000055231541 520213804 /nfs/dbraw/zinc/21/38/04/520213804.db2.gz HFJKFRWAVXFXMQ-JSGCOSHPSA-N 1 0 267.800 3.984 10 0 CHAERO CCCCC[NH2+]CCOc1ccc(OCCC)cc1 ZINC000049633079 520225200 /nfs/dbraw/zinc/22/52/00/520225200.db2.gz ARRJNPDYPZNPDZ-UHFFFAOYSA-N 1 0 265.397 3.634 10 0 CHAERO CC1(C)CC[NH+](Cc2cc(N)ccc2Cl)CC1 ZINC000061818224 520380008 /nfs/dbraw/zinc/38/00/08/520380008.db2.gz TUPBDDVSXUXOBY-UHFFFAOYSA-N 1 0 252.789 3.544 10 0 CHAERO CCCOc1ccc([C@@H]2C[C@@H]2C[NH2+]CC(C)C)cc1 ZINC000054597951 520423177 /nfs/dbraw/zinc/42/31/77/520423177.db2.gz HZJZOPGAPKZJPV-WBVHZDCISA-N 1 0 261.409 3.825 10 0 CHAERO CCC[C@@H](C)C[C@@H](Cc1csc(C)n1)[NH2+]CC ZINC000055295778 520635805 /nfs/dbraw/zinc/63/58/05/520635805.db2.gz AYOPHFGWWLWDIO-YPMHNXCESA-N 1 0 254.443 3.798 10 0 CHAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+][C@@H]1CCCSC1)C2 ZINC000061575113 520640872 /nfs/dbraw/zinc/64/08/72/520640872.db2.gz AKRWGXCZVUWLMU-BHPKHCPMSA-N 1 0 253.455 3.686 10 0 CHAERO CCC[C@@H](CC)[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000050401598 520687871 /nfs/dbraw/zinc/68/78/71/520687871.db2.gz KPUCTHAXWSHRBY-GFCCVEGCSA-N 1 0 265.426 3.681 10 0 CHAERO CCC[C@@H](C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000052970465 520709130 /nfs/dbraw/zinc/70/91/30/520709130.db2.gz RUOWYKDHHCDGCA-LLVKDONJSA-N 1 0 253.336 3.676 10 0 CHAERO CCCCOCCC1(C[NH2+]C2CC2)CCCCC1 ZINC000054655084 520745811 /nfs/dbraw/zinc/74/58/11/520745811.db2.gz HTDNZFLPGPKTLZ-UHFFFAOYSA-N 1 0 253.430 3.896 10 0 CHAERO CCC[C@@](C)(C[NH3+])N1CCC2(CCCCC2)CC1 ZINC000061818843 520909256 /nfs/dbraw/zinc/90/92/56/520909256.db2.gz FWGLFPQMFIPONJ-HNNXBMFYSA-N 1 0 252.446 3.550 10 0 CHAERO CCC[C@@](C)(C[NH2+]CC)Cc1ccc(OC)c(F)c1 ZINC000054656525 520911146 /nfs/dbraw/zinc/91/11/46/520911146.db2.gz QZUDELXSYOTGMZ-MRXNPFEDSA-N 1 0 267.388 3.793 10 0 CHAERO CC1CCC(C[NH2+]C2CC2)(OC2CCCC2)CC1 ZINC000050487982 520921993 /nfs/dbraw/zinc/92/19/93/520921993.db2.gz ZYQWFMLZCKQDPX-UHFFFAOYSA-N 1 0 251.414 3.647 10 0 CHAERO CCC[C@H]([NH2+]CC)[C@H](CC)N1CCC[C@H](C)[C@@H]1C ZINC000050564450 521156950 /nfs/dbraw/zinc/15/69/50/521156950.db2.gz NLIAFLIYJZBTJI-VGWMRTNUSA-N 1 0 254.462 3.664 10 0 CHAERO CCC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049543928 521173047 /nfs/dbraw/zinc/17/30/47/521173047.db2.gz BSZUFVPNAVMGQY-RDBSUJKOSA-N 1 0 267.438 3.873 10 0 CHAERO CC[N@H+](C[C@@](C)(N)c1ccccc1)C1CCCCC1 ZINC000052883235 521234031 /nfs/dbraw/zinc/23/40/31/521234031.db2.gz QOOGUCUCVLGGPL-QGZVFWFLSA-N 1 0 260.425 3.515 10 0 CHAERO CCOc1cccc([C@H](C[NH3+])Nc2ccccc2C)c1 ZINC000057565563 521422230 /nfs/dbraw/zinc/42/22/30/521422230.db2.gz GDEQXPZJKGONLI-KRWDZBQOSA-N 1 0 270.376 3.506 10 0 CHAERO CCC(CC)(c1ccccc1)[C@@H]([NH3+])c1cccnc1 ZINC000062783850 521479992 /nfs/dbraw/zinc/47/99/92/521479992.db2.gz YNLHQQFRZFGZML-INIZCTEOSA-N 1 0 254.377 3.839 10 0 CHAERO CCN(c1ccc(Cl)cc1C(N)=[NH2+])C1CCCCC1 ZINC000052859997 521487953 /nfs/dbraw/zinc/48/79/53/521487953.db2.gz HJFVOVOGKFZUIS-UHFFFAOYSA-N 1 0 279.815 3.783 10 0 CHAERO CC[C@H](C1CCCCC1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000052341991 522087662 /nfs/dbraw/zinc/08/76/62/522087662.db2.gz BSTSRFGGPZNCHB-QGZVFWFLSA-N 1 0 258.409 3.943 10 0 CHAERO C[NH2+]Cc1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000052700019 522118126 /nfs/dbraw/zinc/11/81/26/522118126.db2.gz RSEQHNUVVZYIRN-UHFFFAOYSA-N 1 0 279.767 3.848 10 0 CHAERO C[NH2+]Cc1sc(N(C)CCC(C)C)nc1C(C)(C)C ZINC000055002008 522168061 /nfs/dbraw/zinc/16/80/61/522168061.db2.gz XFOAMEJVWNEYON-UHFFFAOYSA-N 1 0 283.485 3.642 10 0 CHAERO CC[C@H](C[NH2+]C1CC1)Oc1cc(C)c(Cl)c(C)c1 ZINC000052699997 522194714 /nfs/dbraw/zinc/19/47/14/522194714.db2.gz PBUVFCMZHMSQET-CYBMUJFWSA-N 1 0 267.800 3.866 10 0 CHAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)CC(F)(F)F ZINC000049347387 522360845 /nfs/dbraw/zinc/36/08/45/522360845.db2.gz HPTHNPPQPDJODU-ZETCQYMHSA-N 1 0 269.669 3.562 10 0 CHAERO C[NH2+][C@@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000055223846 522363113 /nfs/dbraw/zinc/36/31/13/522363113.db2.gz ZOGQAONSSURZDM-AWEZNQCLSA-N 1 0 281.186 3.892 10 0 CHAERO CCc1nc(N2CCCC[C@H]2C)sc1C[NH2+]C(C)C ZINC000054995319 522385264 /nfs/dbraw/zinc/38/52/64/522385264.db2.gz XFRXAUDOBIUUSM-GFCCVEGCSA-N 1 0 281.469 3.582 10 0 CHAERO CCc1nc([C@@H]([NH3+])c2ccc(F)cc2C)sc1C ZINC000050580386 522426991 /nfs/dbraw/zinc/42/69/91/522426991.db2.gz YWYIDOHIXCNMCB-ZDUSSCGKSA-N 1 0 264.369 3.510 10 0 CHAERO C[NH2+][C@H](C)c1cnc(N2CCC[C@@H]2C2CCCC2)s1 ZINC000054907457 522453360 /nfs/dbraw/zinc/45/33/60/522453360.db2.gz UXWAJDNCOAOQRW-DGCLKSJQSA-N 1 0 279.453 3.583 10 0 CHAERO C[NH2+][C@H](Cc1cc(F)cc(F)c1)c1cccs1 ZINC000049348988 522473579 /nfs/dbraw/zinc/47/35/79/522473579.db2.gz LGPBPVZHMVBHGC-GFCCVEGCSA-N 1 0 253.317 3.530 10 0 CHAERO C[NH2+][C@H](Cc1ccsc1)Cc1cccc(Cl)c1 ZINC000053821027 522475800 /nfs/dbraw/zinc/47/58/00/522475800.db2.gz ZWHHOFJKYCEWQS-AWEZNQCLSA-N 1 0 265.809 3.775 10 0 CHAERO C[NH2+][C@H]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055231433 522490059 /nfs/dbraw/zinc/49/00/59/522490059.db2.gz WXZDLQXRZVJFKQ-OLZOCXBDSA-N 1 0 257.299 3.951 10 0 CHAERO CCc1nc2ccccc2n1[C@@H](C)C[NH2+][C@@H](C)CC ZINC000062808116 522504756 /nfs/dbraw/zinc/50/47/56/522504756.db2.gz JKIUIGDFXQSPQU-STQMWFEESA-N 1 0 259.397 3.548 10 0 CHAERO CNc1c2c(F)cc(F)cc2[nH+]c(C)c1C(C)C ZINC000061687702 522547191 /nfs/dbraw/zinc/54/71/91/522547191.db2.gz DUEGFBBPYGJHLG-UHFFFAOYSA-N 1 0 250.292 3.987 10 0 CHAERO CCc1nccn1[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000119286606 522593175 /nfs/dbraw/zinc/59/31/75/522593175.db2.gz UEQMFGIILBEYEL-MRXNPFEDSA-N 1 0 275.440 3.663 10 0 CHAERO CC[C@@H]([NH3+])c1c(C)nn(Cc2cccc(Cl)c2)c1C ZINC000054716644 522655680 /nfs/dbraw/zinc/65/56/80/522655680.db2.gz KLYWMWHMNRXLMG-CQSZACIVSA-N 1 0 277.799 3.611 10 0 CHAERO CC[C@@H]([NH3+])c1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000054717083 522657124 /nfs/dbraw/zinc/65/71/24/522657124.db2.gz TYRITKCHANGFHR-CYBMUJFWSA-N 1 0 284.190 3.648 10 0 CHAERO CC[C@H]1CCCCN1c1cc(Cl)ccc1C[NH3+] ZINC000062786772 523030897 /nfs/dbraw/zinc/03/08/97/523030897.db2.gz YBPHWYLJVGZJNJ-ZDUSSCGKSA-N 1 0 252.789 3.568 10 0 CHAERO CC[C@H]1CCCC[C@H]1OCc1cc(C[NH3+])c(C)o1 ZINC000052621684 523065542 /nfs/dbraw/zinc/06/55/42/523065542.db2.gz WZODNEOJBKSZDI-SWLSCSKDSA-N 1 0 251.370 3.532 10 0 CHAERO CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C)c2)o1 ZINC000062639729 523179177 /nfs/dbraw/zinc/17/91/77/523179177.db2.gz RNCPDNOUMCDGHS-OAHLLOKOSA-N 1 0 285.391 3.810 10 0 CHAERO CC[C@@H]1CCCC[C@H]1OCc1cc(C[NH3+])c(C)o1 ZINC000052621678 523227931 /nfs/dbraw/zinc/22/79/31/523227931.db2.gz WZODNEOJBKSZDI-IUODEOHRSA-N 1 0 251.370 3.532 10 0 CHAERO CC[C@](C)(CCCOCC(F)(F)F)C[NH2+]C1CC1 ZINC000054661433 523450600 /nfs/dbraw/zinc/45/06/00/523450600.db2.gz ZUAYXQYDSOMHFA-GFCCVEGCSA-N 1 0 267.335 3.514 10 0 CHAERO COc1ccc(Br)cc1C[C@H]1CCCC[C@H]1[NH3+] ZINC000049597126 523501986 /nfs/dbraw/zinc/50/19/86/523501986.db2.gz BUJACTXGHZGSFG-ZWNOBZJWSA-N 1 0 298.224 3.518 10 0 CHAERO CC[C@@](C)(C[NH2+]CCOC)Cc1cccc(Cl)c1 ZINC000054661838 523639303 /nfs/dbraw/zinc/63/93/03/523639303.db2.gz UXPQMPHVKGIKFE-OAHLLOKOSA-N 1 0 269.816 3.535 10 0 CHAERO CC[C@@](C)(C[NH2+]C)Cc1ccc(C(F)(F)F)cc1 ZINC000054660406 523640213 /nfs/dbraw/zinc/64/02/13/523640213.db2.gz PYTCPHPSBGTAGK-CYBMUJFWSA-N 1 0 259.315 3.884 10 0 CHAERO CN1C(=O)C[C@H]([NH2+][C@H]2CCCC(C)(C)C2)c2ccccc21 ZINC000149294751 523711160 /nfs/dbraw/zinc/71/11/60/523711160.db2.gz MXFUEPUHVLZVFX-ZFWWWQNUSA-N 1 0 286.419 3.653 10 0 CHAERO CCc1cc(NC)c2c(OC)ccc(Cl)c2[nH+]1 ZINC000050870976 523820534 /nfs/dbraw/zinc/82/05/34/523820534.db2.gz XLDIXCIXPQQMLQ-UHFFFAOYSA-N 1 0 250.729 3.501 10 0 CHAERO CCc1cc(OCc2ccoc2C[NH3+])ccc1Cl ZINC000052699730 523841131 /nfs/dbraw/zinc/84/11/31/523841131.db2.gz IHVSNIMWCFEUBA-UHFFFAOYSA-N 1 0 265.740 3.533 10 0 CHAERO COCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(Cl)cc1Cl ZINC000054598879 523941377 /nfs/dbraw/zinc/94/13/77/523941377.db2.gz LEGJMKJBIWKDOS-HZMBPMFUSA-N 1 0 288.218 3.507 10 0 CHAERO CCc1ccc(C[C@]2(C[NH2+]CC(C)C)CCOC2)s1 ZINC000054665893 523951602 /nfs/dbraw/zinc/95/16/02/523951602.db2.gz TVBRFSLWRXJRTN-INIZCTEOSA-N 1 0 281.465 3.505 10 0 CHAERO CC[C@H](C)[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062668309 523961673 /nfs/dbraw/zinc/96/16/73/523961673.db2.gz LLLZTFJHSDKFNO-RYQLBKOJSA-N 1 0 274.452 3.846 10 0 CHAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCCCCO)o1 ZINC000130975206 524053860 /nfs/dbraw/zinc/05/38/60/524053860.db2.gz ORUFCXCIWGKZQG-OAHLLOKOSA-N 1 0 265.397 3.532 10 0 CHAERO Cc1ccc(C)c(C[C@@H]([NH3+])CCc2ccccc2)c1 ZINC000049258443 524108157 /nfs/dbraw/zinc/10/81/57/524108157.db2.gz HMYXPBQNRDTRNM-SFHVURJKSA-N 1 0 253.389 3.806 10 0 CHAERO C[C@H]1CCC[C@@H](N(C)c2cc(Cl)ccc2C[NH3+])C1 ZINC000062786922 524145546 /nfs/dbraw/zinc/14/55/46/524145546.db2.gz FDDILKLMXSRMBB-SMDDNHRTSA-N 1 0 266.816 3.814 10 0 CHAERO Cc1cc(C)c(-c2csc([C@H](C)C[NH3+])n2)cc1C ZINC000055265543 524210523 /nfs/dbraw/zinc/21/05/23/524210523.db2.gz AWRBZOXLELKEGH-GFCCVEGCSA-N 1 0 260.406 3.798 10 0 CHAERO COc1ccc(Cl)cc1[C@@H]([NH3+])c1ccc(F)c(C)c1 ZINC000055225078 524252873 /nfs/dbraw/zinc/25/28/73/524252873.db2.gz JYDCZNADAZUYSR-HNNXBMFYSA-N 1 0 279.742 3.844 10 0 CHAERO COc1ccc(Cl)cc1[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000062664094 524254023 /nfs/dbraw/zinc/25/40/23/524254023.db2.gz IUZCXCCBZWXJTP-WCQYABFASA-N 1 0 267.800 3.971 10 0 CHAERO Cc1cc(C)c(COc2ccc(CC[NH3+])cc2)c(C)c1 ZINC000053299811 524274425 /nfs/dbraw/zinc/27/44/25/524274425.db2.gz FGDOUBAFIPNYHU-UHFFFAOYSA-N 1 0 269.388 3.692 10 0 CHAERO Cc1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000062671201 524482021 /nfs/dbraw/zinc/48/20/21/524482021.db2.gz KBROUDDZTNHLFW-QFBILLFUSA-N 1 0 280.415 3.530 10 0 CHAERO C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)c1nccs1 ZINC000193285058 524503308 /nfs/dbraw/zinc/50/33/08/524503308.db2.gz RJZZTBTYSLWRLP-DOMZBBRYSA-N 1 0 287.432 3.783 10 0 CHAERO Cc1ccc(COc2cccc3c2CC[C@@H]3[NH3+])cc1 ZINC000062798798 524630977 /nfs/dbraw/zinc/63/09/77/524630977.db2.gz QAMAUESEKQYZLG-INIZCTEOSA-N 1 0 253.345 3.520 10 0 CHAERO Cc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050940680 524742124 /nfs/dbraw/zinc/74/21/24/524742124.db2.gz SZDXWYPXBXQZNM-ZDUSSCGKSA-N 1 0 280.799 3.509 10 0 CHAERO C[C@H]([NH3+])Cc1ccc(-c2cc(Br)ccc2F)o1 ZINC000062770847 524835280 /nfs/dbraw/zinc/83/52/80/524835280.db2.gz XOKKKNJHYKAUOH-QMMMGPOBSA-N 1 0 298.155 3.738 10 0 CHAERO C[C@H](NC(=[NH2+])Nc1ccccc1)c1cccc(F)c1 ZINC000052048483 524872374 /nfs/dbraw/zinc/87/23/74/524872374.db2.gz XCUKMMDHLCVFRJ-NSHDSACASA-N 1 0 257.312 3.523 10 0 CHAERO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000049154425 524939091 /nfs/dbraw/zinc/93/90/91/524939091.db2.gz GRMJEEWBMYGNOM-RYUDHWBXSA-N 1 0 261.390 3.736 10 0 CHAERO Cc1ccc(N2CC[C@@H](C[NH2+]CC(C)C)C2)cc1Cl ZINC000053010800 524970171 /nfs/dbraw/zinc/97/01/71/524970171.db2.gz RZSXYVIZDJHQCJ-AWEZNQCLSA-N 1 0 280.843 3.720 10 0 CHAERO Cc1ccc(N2CC[C@H](C[NH2+]C(C)(C)C)C2)cc1Cl ZINC000053010795 524974405 /nfs/dbraw/zinc/97/44/05/524974405.db2.gz GBEBUGORVDMQNN-CYBMUJFWSA-N 1 0 280.843 3.863 10 0 CHAERO Cc1cc(F)ccc1[C@H]1CC[NH2+][C@H]1c1ccccc1 ZINC000054684012 525009999 /nfs/dbraw/zinc/00/99/99/525009999.db2.gz IVECJNWWTWCPOO-SJORKVTESA-N 1 0 255.336 3.952 10 0 CHAERO Cc1ccccc1C[N@H+]1CC(C)(C)NC[C@H]1CC(C)C ZINC000062668210 525134184 /nfs/dbraw/zinc/13/41/84/525134184.db2.gz SLQUJERWVBICOT-QGZVFWFLSA-N 1 0 274.452 3.594 10 0 CHAERO Cc1ccccc1Cc1ncc(C[NH2+]CC(C)C)s1 ZINC000052331751 525203424 /nfs/dbraw/zinc/20/34/24/525203424.db2.gz PTVPSRQPXHRHJC-UHFFFAOYSA-N 1 0 274.433 3.788 10 0 CHAERO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000042267459 525239331 /nfs/dbraw/zinc/23/93/31/525239331.db2.gz DRJJPWGKCPTMJJ-HNNXBMFYSA-N 1 0 282.387 3.593 10 0 CHAERO C[C@H]([NH2+]CC(=O)N1CCCCC1)c1ccc2ccccc2c1 ZINC000102686747 525301512 /nfs/dbraw/zinc/30/15/12/525301512.db2.gz HIJGDEQALQKBFR-HNNXBMFYSA-N 1 0 296.414 3.503 10 0 CHAERO Cc1ccc(N[C@@H](C[NH3+])c2ccccc2Cl)cc1 ZINC000057547771 525313365 /nfs/dbraw/zinc/31/33/65/525313365.db2.gz TYFWXSVWLBUELD-HNNXBMFYSA-N 1 0 260.768 3.760 10 0 CHAERO COc1ccc([C@H](C)[NH2+]Cc2ccsc2C)cc1OC ZINC000293480637 525326884 /nfs/dbraw/zinc/32/68/84/525326884.db2.gz FUJCALRUSWQTQP-NSHDSACASA-N 1 0 291.416 3.925 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1OC ZINC000035738764 525334703 /nfs/dbraw/zinc/33/47/03/525334703.db2.gz ALHZKRGLIKXKIK-NWDGAFQWSA-N 1 0 275.348 3.709 10 0 CHAERO C[C@H]([NH2+]Cc1cc[nH]c1)c1cccc(Br)c1 ZINC000080778020 525434636 /nfs/dbraw/zinc/43/46/36/525434636.db2.gz KODLLSSUIWTYTP-JTQLQIEISA-N 1 0 279.181 3.628 10 0 CHAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2Cl)cn1 ZINC000061699787 525477238 /nfs/dbraw/zinc/47/72/38/525477238.db2.gz ONONNXIUISOIAD-SNVBAGLBSA-N 1 0 262.740 3.855 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCCC[C@@H]2O)c(C)s1 ZINC000049506724 525529610 /nfs/dbraw/zinc/52/96/10/525529610.db2.gz QNEHHZBGDNKGHX-CQDKDKBSSA-N 1 0 267.438 3.709 10 0 CHAERO Cc1ccsc1[C@H]([C@H](C)N)[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563439 525890809 /nfs/dbraw/zinc/89/08/09/525890809.db2.gz LWPITNUJUSHKPL-PYJNHQTQSA-N 1 0 266.454 3.565 10 0 CHAERO Cc1ccc([C@H]2CC[NH2+][C@H]2Cc2ccccc2)cc1 ZINC000054686591 526016689 /nfs/dbraw/zinc/01/66/89/526016689.db2.gz GJXBVHMYDBOODU-MSOLQXFVSA-N 1 0 251.373 3.683 10 0 CHAERO Cc1ccc(C(=O)C[NH+]2CCC(C)(C)CC2)c(C)c1 ZINC000061820747 526047412 /nfs/dbraw/zinc/04/74/12/526047412.db2.gz IFQSTAJMEYQHCH-UHFFFAOYSA-N 1 0 259.393 3.608 10 0 CHAERO COc1cccc(C[C@@H](C[NH3+])Cc2ccc(Cl)s2)c1 ZINC000052948134 526072324 /nfs/dbraw/zinc/07/23/24/526072324.db2.gz DWUDQFAZABUVOA-GFCCVEGCSA-N 1 0 295.835 3.770 10 0 CHAERO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253095631 526098382 /nfs/dbraw/zinc/09/83/82/526098382.db2.gz PGONZEKDXNSHNS-BZZMCLGOSA-N 1 0 273.420 3.763 10 0 CHAERO Cc1cnccc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000228654118 526234981 /nfs/dbraw/zinc/23/49/81/526234981.db2.gz BIVRUQXTEXGBTR-LBPRGKRZSA-N 1 0 260.768 3.894 10 0 CHAERO Cc1ccc2[nH]c(SCC[NH2+]CCC(C)C)nc2c1 ZINC000061441462 526255456 /nfs/dbraw/zinc/25/54/56/526255456.db2.gz CIPJMHXLEYNFNG-UHFFFAOYSA-N 1 0 277.437 3.599 10 0 CHAERO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000157019374 526410258 /nfs/dbraw/zinc/41/02/58/526410258.db2.gz COYIZKKIUWYZSO-ZDUSSCGKSA-N 1 0 276.380 3.662 10 0 CHAERO c1cc2cnccc2c(C[NH2+]CCC2CCCC2)c1 ZINC000061125358 526450410 /nfs/dbraw/zinc/45/04/10/526450410.db2.gz MGVLRYJJRLLPRL-UHFFFAOYSA-N 1 0 254.377 3.905 10 0 CHAERO c1ccc2c(c1)c1ccccc1n2CC[NH2+]C1CC1 ZINC000048784615 526513043 /nfs/dbraw/zinc/51/30/43/526513043.db2.gz JWGFCGRLXVBPJI-UHFFFAOYSA-N 1 0 250.345 3.547 10 0 CHAERO c1coc([C@@H]([NH2+]C[C@H]2CCCS2)c2ccccc2)c1 ZINC000149563152 526569351 /nfs/dbraw/zinc/56/93/51/526569351.db2.gz HFNIBWYYNWPEIQ-ZBFHGGJFSA-N 1 0 273.401 3.854 10 0 CHAERO Cc1nc(-c2ccc(F)cc2)sc1C[NH2+]C(C)C ZINC000052330694 526574956 /nfs/dbraw/zinc/57/49/56/526574956.db2.gz KIIAZSSUXZJMEM-UHFFFAOYSA-N 1 0 264.369 3.756 10 0 CHAERO Cc1oc(C[NH2+]CC(C)C)cc1COCC(C)C ZINC000052622748 526774084 /nfs/dbraw/zinc/77/40/84/526774084.db2.gz JTHFCLBQYSPMGU-UHFFFAOYSA-N 1 0 253.386 3.506 10 0 CHAERO Cc1nc(C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cs1 ZINC000055294908 526917749 /nfs/dbraw/zinc/91/77/49/526917749.db2.gz VLAVMUPKLFVEML-OAHLLOKOSA-N 1 0 260.406 3.817 10 0 CHAERO Clc1cc(Cl)cc(N2CC[C@@H](C[NH2+]C3CC3)C2)c1 ZINC000053010715 526928158 /nfs/dbraw/zinc/92/81/58/526928158.db2.gz HLXJWICTJNXVJZ-JTQLQIEISA-N 1 0 285.218 3.572 10 0 CHAERO Clc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCC1)CCO2 ZINC000052208524 526928560 /nfs/dbraw/zinc/92/85/60/526928560.db2.gz XKXKMOXLWCASPY-GFCCVEGCSA-N 1 0 272.175 3.959 10 0 CHAERO Clc1ccc(-c2cc(C[NH2+]C3CC3)[nH]n2)c(Cl)c1 ZINC000050479283 526932262 /nfs/dbraw/zinc/93/22/62/526932262.db2.gz ZDRVRQFFJCUURF-UHFFFAOYSA-N 1 0 282.174 3.636 10 0 CHAERO [NH3+]C1(c2nc(-c3cccc(Cl)c3)cs2)CCC1 ZINC000061713568 527132726 /nfs/dbraw/zinc/13/27/26/527132726.db2.gz CJBUYEDHEDMRCN-UHFFFAOYSA-N 1 0 264.781 3.801 10 0 CHAERO [NH3+]C[C@@H](SCC1CCCC1)c1ccc(F)cc1 ZINC000062835929 527206451 /nfs/dbraw/zinc/20/64/51/527206451.db2.gz DDTCOLAOLHVSGJ-CQSZACIVSA-N 1 0 253.386 3.749 10 0 CHAERO [NH3+]Cc1cc(Cl)ccc1Oc1cccc(F)c1 ZINC000052858213 527248979 /nfs/dbraw/zinc/24/89/79/527248979.db2.gz LPGOFAWAEFGMSP-UHFFFAOYSA-N 1 0 251.688 3.730 10 0 CHAERO [NH3+][C@@H](CCc1ccccc1)c1nc2c(s1)CCCC2 ZINC000061625688 527331384 /nfs/dbraw/zinc/33/13/84/527331384.db2.gz XVGMGGPGGDGYBA-ZDUSSCGKSA-N 1 0 272.417 3.655 10 0 CHAERO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)c1cncc(F)c1 ZINC000049576231 527334468 /nfs/dbraw/zinc/33/44/68/527334468.db2.gz LSUNWECATMNCGQ-ZDUSSCGKSA-N 1 0 285.149 3.770 10 0 CHAERO [NH3+][C@@H](Cc1cc(F)cc(F)c1)c1ccccc1Cl ZINC000049348705 527334755 /nfs/dbraw/zinc/33/47/55/527334755.db2.gz YRZBBDBUJUATAZ-AWEZNQCLSA-N 1 0 267.706 3.861 10 0 CHAERO [NH3+][C@H](Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000049348664 527388284 /nfs/dbraw/zinc/38/82/84/527388284.db2.gz KFTAJTGCMNBPFI-CQSZACIVSA-N 1 0 267.706 3.861 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C(C)(C)C)cc1 ZINC000083441520 535825048 /nfs/dbraw/zinc/82/50/48/535825048.db2.gz KLFKLYWNWOMNHG-DZGCQCFKSA-N 1 0 260.425 3.561 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(Cl)c(Cl)c1 ZINC000083536496 535825412 /nfs/dbraw/zinc/82/54/12/535825412.db2.gz ZDNUZWZZYSMWFV-VHSXEESVSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1cccc(C)c1C ZINC000083441696 536169661 /nfs/dbraw/zinc/16/96/61/536169661.db2.gz CQFUCXFWNSMTEN-HOTGVXAUSA-N 1 0 260.425 3.516 10 0 CHAERO Cc1[nH+]ccc(N2C[C@@H](C)C[C@H](C)C2)c1Br ZINC000669379464 566950826 /nfs/dbraw/zinc/95/08/26/566950826.db2.gz CMFGTYJTKYGLFY-UWVGGRQHSA-N 1 0 283.213 3.635 10 0 CHAERO CCC[C@H]([NH3+])c1cc2ccc(Br)cc2o1 ZINC000675081338 567026626 /nfs/dbraw/zinc/02/66/26/567026626.db2.gz RNLCWZJZKMWBQH-JTQLQIEISA-N 1 0 268.154 3.995 10 0 CHAERO CC(C)[C@@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675081217 567028617 /nfs/dbraw/zinc/02/86/17/567028617.db2.gz MNMQGTSFLRCNPJ-GFCCVEGCSA-N 1 0 268.154 3.851 10 0 CHAERO Clc1sccc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712542787 567851705 /nfs/dbraw/zinc/85/17/05/567851705.db2.gz QEPZUYRYGPLHAI-SECBINFHSA-N 1 0 255.795 3.698 10 0 CHAERO CCCCCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731591 567867532 /nfs/dbraw/zinc/86/75/32/567867532.db2.gz RCVXNMIUAZQXDC-UHFFFAOYSA-N 1 0 285.391 3.939 10 0 CHAERO c1csc([C@@]2([NH+]3CCCCC3)CCCSC2)c1 ZINC000048546160 567892744 /nfs/dbraw/zinc/89/27/44/567892744.db2.gz FMPXQTRXRDZBPU-CQSZACIVSA-N 1 0 267.463 3.956 10 0 CHAERO CCC(C)(C)[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000057353281 567895058 /nfs/dbraw/zinc/89/50/58/567895058.db2.gz CUKLBJLFFJITIX-UHFFFAOYSA-N 1 0 286.423 3.804 10 0 CHAERO C[C@H]([NH3+])c1ccc(-c2cc(Cl)cnc2F)cc1 ZINC000725241234 567907792 /nfs/dbraw/zinc/90/77/92/567907792.db2.gz DTBQYFQEAUPPEP-QMMMGPOBSA-N 1 0 250.704 3.561 10 0 CHAERO CCCCOCCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000040731223 567907946 /nfs/dbraw/zinc/90/79/46/567907946.db2.gz IVUVCVMUVLVRIV-UHFFFAOYSA-N 1 0 279.424 3.770 10 0 CHAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@H]1c1ccccc1Br ZINC000725254393 567913409 /nfs/dbraw/zinc/91/34/09/567913409.db2.gz NCGWVXSLJAMAQC-MRCXROJRSA-N 1 0 280.209 3.693 10 0 CHAERO CC(C)(C)[C@@H]1C[C@H]2CC[C@@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000725268197 567924146 /nfs/dbraw/zinc/92/41/46/567924146.db2.gz KOPJWUJWSGCGCT-KBUPBQIOSA-N 1 0 263.425 3.502 10 0 CHAERO C[NH+](C)[C@]1(C)CC=C(c2ccc(C=O)c(F)c2)CC1 ZINC000725256676 570259370 /nfs/dbraw/zinc/25/93/70/570259370.db2.gz CZRPLQSBORBAQA-MRXNPFEDSA-N 1 0 261.340 3.526 10 0 CHAERO CCC1(CC)[C@H]([NH3+])[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669383860 570352920 /nfs/dbraw/zinc/35/29/20/570352920.db2.gz LRIYFHKGAVHJBV-BFHYXJOUSA-N 1 0 296.455 3.540 10 0 CHAERO CC/C=C\CC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000588527471 1120515885 /nfs/dbraw/zinc/51/58/85/1120515885.db2.gz JIUNTBYYFCGCCU-ZRUQZJFASA-N 1 0 250.411 3.945 10 0 CHAERO c1csc([C@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)n1 ZINC000195350705 1125566050 /nfs/dbraw/zinc/56/60/50/1125566050.db2.gz CQCPTKACATYGOY-LBPRGKRZSA-N 1 0 299.399 3.664 10 0 CHAERO Cc1nc([C@@H]2CCCN2Cc2cccs2)cs1 ZINC000189929857 1126936331 /nfs/dbraw/zinc/93/63/31/1126936331.db2.gz MMZVKGWJMIXPRP-ZDUSSCGKSA-N 1 0 264.419 3.850 10 0 CHAERO c1ccc2c(C[NH2+]CC3CCCCC3)ccnc2c1 ZINC000104420541 1117935967 /nfs/dbraw/zinc/93/59/67/1117935967.db2.gz VWBPBTRBZDBSFX-UHFFFAOYSA-N 1 0 254.377 3.905 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)C[C@H](C)O1 ZINC000336349685 1119040742 /nfs/dbraw/zinc/04/07/42/1119040742.db2.gz HHSJWMACRHLCAA-MUJYYYPQSA-N 1 0 295.467 3.519 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000368496823 1119370543 /nfs/dbraw/zinc/37/05/43/1119370543.db2.gz SFYFFHNFQZGZPF-PDEGPIFNSA-N 1 0 286.202 3.536 10 0 CHAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000102690922 1123592221 /nfs/dbraw/zinc/59/22/21/1123592221.db2.gz UWIISCDAKYIHFC-CQSZACIVSA-N 1 0 298.430 3.795 10 0 CHAERO CCc1ccc(C)[n+](C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000191698447 1125328815 /nfs/dbraw/zinc/32/88/15/1125328815.db2.gz BCBSZKKPJWKFAN-QGZVFWFLSA-N 1 0 274.428 3.727 10 0 CHAERO CCCc1nc(-c2c(F)cccc2F)sc1C[NH2+]C ZINC000082427360 178003009 /nfs/dbraw/zinc/00/30/09/178003009.db2.gz QMUXKBIZTKKCPP-UHFFFAOYSA-N 1 0 282.359 3.760 10 0 CHAERO CCCc1nc(-c2cccnc2)sc1C[NH2+]C(C)C ZINC000082427248 178003154 /nfs/dbraw/zinc/00/31/54/178003154.db2.gz UBYJVXSNSVSDEV-UHFFFAOYSA-N 1 0 275.421 3.656 10 0 CHAERO CCCc1nc(-c2cccs2)sc1C[NH2+]C ZINC000082428483 178004610 /nfs/dbraw/zinc/00/46/10/178004610.db2.gz MMGQRQQACSBORS-UHFFFAOYSA-N 1 0 252.408 3.544 10 0 CHAERO C[NH2+]Cc1sc(-c2cccs2)nc1C(C)C ZINC000082431319 178009087 /nfs/dbraw/zinc/00/90/87/178009087.db2.gz OBDKACISNXDLNJ-UHFFFAOYSA-N 1 0 252.408 3.714 10 0 CHAERO CCOc1ccccc1-c1nc(C(C)C)c(C[NH3+])s1 ZINC000082431075 178009132 /nfs/dbraw/zinc/00/91/32/178009132.db2.gz HRZHVAFUXUHVEH-UHFFFAOYSA-N 1 0 276.405 3.791 10 0 CHAERO CC[NH2+]Cc1sc(N2CCCCCC2)nc1C(C)C ZINC000082434988 178012193 /nfs/dbraw/zinc/01/21/93/178012193.db2.gz WXCFBZJCSLHXGL-UHFFFAOYSA-N 1 0 281.469 3.756 10 0 CHAERO CC[NH2+]Cc1sc(N2CCC[C@H](C)C2)nc1C(C)C ZINC000082434822 178012306 /nfs/dbraw/zinc/01/23/06/178012306.db2.gz WNGWQJXDLHJGQL-LBPRGKRZSA-N 1 0 281.469 3.612 10 0 CHAERO CCC[NH2+]Cc1sc(C(C)(C)C)nc1C1CC1 ZINC000082436338 178014040 /nfs/dbraw/zinc/01/40/40/178014040.db2.gz OFQKSYMEPOMWKT-UHFFFAOYSA-N 1 0 252.427 3.818 10 0 CHAERO C[NH2+]Cc1sc(Cc2ccccc2)nc1C(C)(C)C ZINC000082438844 178016927 /nfs/dbraw/zinc/01/69/27/178016927.db2.gz XPUYKBOPCCPVGO-UHFFFAOYSA-N 1 0 274.433 3.751 10 0 CHAERO CC(C)(C)c1nc(C2CC2)sc1C[NH2+]C1CC1 ZINC000082439911 178017854 /nfs/dbraw/zinc/01/78/54/178017854.db2.gz AGDKNCIAUNSVAE-UHFFFAOYSA-N 1 0 250.411 3.570 10 0 CHAERO C[NH2+]Cc1sc(-c2ccc(OC)cc2)nc1C(C)(C)C ZINC000082440504 178018209 /nfs/dbraw/zinc/01/82/09/178018209.db2.gz KGYJSHATKVKQRH-UHFFFAOYSA-N 1 0 290.432 3.836 10 0 CHAERO CC[NH2+]Cc1sc(C(C)(C)C)nc1C(C)(C)C ZINC000082440051 178018653 /nfs/dbraw/zinc/01/86/53/178018653.db2.gz TZXBGIFWBMQAOT-UHFFFAOYSA-N 1 0 254.443 3.848 10 0 CHAERO CC(=O)[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000095764185 185027389 /nfs/dbraw/zinc/02/73/89/185027389.db2.gz HPIOOTFKTKCKLG-MOPGFXCFSA-N 1 0 279.383 3.839 10 0 CHAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1cc(C)ccc1C ZINC000082660631 178146748 /nfs/dbraw/zinc/14/67/48/178146748.db2.gz AHIUSRFRSHNAFZ-UHFFFAOYSA-N 1 0 271.408 3.543 10 0 CHAERO Clc1ccc(-c2cnc(C[NH2+]C3CC3)s2)cc1 ZINC000083240082 178366575 /nfs/dbraw/zinc/36/65/75/178366575.db2.gz LQTBLDLKGDYURV-UHFFFAOYSA-N 1 0 264.781 3.716 10 0 CHAERO CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000096747940 185111360 /nfs/dbraw/zinc/11/13/60/185111360.db2.gz GRBOJZGPSPHANX-BZUAXINKSA-N 1 0 256.478 3.767 10 0 CHAERO CCSc1cc(OC)c2c(c1OC)[C@H](C(C)C)[NH2+]CC2 ZINC000096889059 185123804 /nfs/dbraw/zinc/12/38/04/185123804.db2.gz KCGFLUWXJKZXFP-HNNXBMFYSA-N 1 0 295.448 3.659 10 0 CHAERO CC[NH2+][C@@H](C(=O)c1cc(C(C)C)ccc1C)C(C)C ZINC000096890729 185123838 /nfs/dbraw/zinc/12/38/38/185123838.db2.gz WGMVNAYRLMTQJT-MRXNPFEDSA-N 1 0 261.409 3.935 10 0 CHAERO CCOc1cc(C)c(CC[NH2+]C(C)C)cc1Cl ZINC000098130227 185691541 /nfs/dbraw/zinc/69/15/41/185691541.db2.gz WVNUPJBVXJTSRQ-UHFFFAOYSA-N 1 0 255.789 3.588 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(OC2CCCC2)cc1)C(C)C ZINC000098130710 185691674 /nfs/dbraw/zinc/69/16/74/185691674.db2.gz NCBXTWQBOAXQER-KRWDZBQOSA-N 1 0 261.409 3.795 10 0 CHAERO CC[C@H]([NH3+])Cc1ccccc1N(CC(C)C)C(C)C ZINC000104276436 185952738 /nfs/dbraw/zinc/95/27/38/185952738.db2.gz QETIQZBZHHLHBW-INIZCTEOSA-N 1 0 262.441 3.837 10 0 CHAERO CSc1ccc(OCc2ccc(F)cc2C[NH3+])cc1 ZINC000104342596 185976928 /nfs/dbraw/zinc/97/69/28/185976928.db2.gz KEYXFKBJNUZVRZ-UHFFFAOYSA-N 1 0 277.364 3.585 10 0 CHAERO CC(C)[C@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000104362325 185984108 /nfs/dbraw/zinc/98/41/08/185984108.db2.gz NPACIJYTDJAHOT-NHYWBVRUSA-N 1 0 296.252 3.941 10 0 CHAERO C[C@@H]([NH3+])c1nc2c(cccc2Cl)n1-c1ccccc1 ZINC000091692137 180228371 /nfs/dbraw/zinc/22/83/71/180228371.db2.gz ORCRDCMKMNJIAN-SNVBAGLBSA-N 1 0 271.751 3.699 10 0 CHAERO C[C@@H]([NH3+])c1ccccc1Nc1ccc(Br)cn1 ZINC000111762738 186454834 /nfs/dbraw/zinc/45/48/34/186454834.db2.gz FLIDASXODXOFET-SECBINFHSA-N 1 0 292.180 3.607 10 0 CHAERO CC(C)(C)OC(=O)n1cc(CC[NH3+])c2c1cccc2Cl ZINC000261507669 190040178 /nfs/dbraw/zinc/04/01/78/190040178.db2.gz KXVDXVHQFOGQJO-UHFFFAOYSA-N 1 0 294.782 3.579 10 0 CHAERO OC1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000095936504 256745247 /nfs/dbraw/zinc/74/52/47/256745247.db2.gz RWMDJQJCEISWRT-UHFFFAOYSA-N 1 0 295.426 3.992 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(Cl)cc1 ZINC000083493790 135024584 /nfs/dbraw/zinc/02/45/84/135024584.db2.gz AESFAMDHGFAROX-DZGCQCFKSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@@H]1CN(c2ccc(C)cc2Cl)[C@H](CC)C[NH2+]1 ZINC000083493759 135024739 /nfs/dbraw/zinc/02/47/39/135024739.db2.gz PIDBDTUSFSXJIN-CHWSQXEVSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1c(Cl)cccc1Cl ZINC000083536529 135027594 /nfs/dbraw/zinc/02/75/94/135027594.db2.gz LWKZCFNYITYYIF-UWVGGRQHSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(Cl)cc1Cl ZINC000083536489 135027886 /nfs/dbraw/zinc/02/78/86/135027886.db2.gz FUELPFNDEKPBMD-ONGXEEELSA-N 1 0 273.207 3.570 10 0 CHAERO C[C@@H](COc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1 ZINC000001842961 169759007 /nfs/dbraw/zinc/75/90/07/169759007.db2.gz URCIJDUOBBSMII-HOTGVXAUSA-N 1 0 269.388 3.675 10 0 in-man CHAERO Cc1ccc(C[C@@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000011600431 170425442 /nfs/dbraw/zinc/42/54/42/170425442.db2.gz ARRWXKWXKDLDPN-MRXNPFEDSA-N 1 0 259.780 3.761 10 0 CHAERO COc1cccc(C[C@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000011603433 170426198 /nfs/dbraw/zinc/42/61/98/170426198.db2.gz HHOAFYRPQOTFSA-HNNXBMFYSA-N 1 0 261.752 3.591 10 0 CHAERO COc1cccc(C[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000011603427 170426470 /nfs/dbraw/zinc/42/64/70/170426470.db2.gz ZSWHPKWCKDFQRW-HNNXBMFYSA-N 1 0 261.752 3.591 10 0 CHAERO COc1ccc(CC[C@@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000011606896 170427283 /nfs/dbraw/zinc/42/72/83/170427283.db2.gz LVUDDLFMZGPWMD-GOSISDBHSA-N 1 0 269.388 3.945 10 0 CHAERO [NH3+]Cc1c(-c2ccc(Cl)cc2)cn2ccccc12 ZINC000011630989 170429265 /nfs/dbraw/zinc/42/92/65/170429265.db2.gz PPSMSQXFXUGANW-UHFFFAOYSA-N 1 0 256.736 3.718 10 0 CHAERO [NH3+][C@@H]1CCCc2nc(Cc3ccc(Cl)cc3)sc21 ZINC000011850398 170447619 /nfs/dbraw/zinc/44/76/19/170447619.db2.gz NDHBQIVVZTYDJH-LLVKDONJSA-N 1 0 278.808 3.723 10 0 CHAERO [NH3+]Cc1ccc(-c2nc3c(s2)CCCCC3)cc1 ZINC000011886875 170452586 /nfs/dbraw/zinc/45/25/86/170452586.db2.gz LHWUICDPEJITFV-UHFFFAOYSA-N 1 0 258.390 3.538 10 0 CHAERO C[C@H](C[NH3+])Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000011946289 170460188 /nfs/dbraw/zinc/46/01/88/170460188.db2.gz IFRSVJYXNOPOQJ-CQSZACIVSA-N 1 0 269.388 3.739 10 0 CHAERO [NH3+]Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000011994649 170465668 /nfs/dbraw/zinc/46/56/68/170465668.db2.gz MWELHBXGMKPJST-UHFFFAOYSA-N 1 0 263.340 3.878 10 0 CHAERO [NH3+]Cc1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000019272590 170767686 /nfs/dbraw/zinc/76/76/86/170767686.db2.gz YFNBDRCKEBAANI-UHFFFAOYSA-N 1 0 276.339 3.551 10 0 CHAERO C[C@@H](OCc1cc(C[NH3+])ccc1F)c1ccccc1 ZINC000019278486 170770366 /nfs/dbraw/zinc/77/03/66/170770366.db2.gz ODVXAJDQPVNAGD-GFCCVEGCSA-N 1 0 259.324 3.562 10 0 CHAERO [NH3+]Cc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000019401062 170784702 /nfs/dbraw/zinc/78/47/02/170784702.db2.gz ITTOFWYABTWOLI-UHFFFAOYSA-N 1 0 276.339 3.551 10 0 CHAERO CC[C@@H](C)c1ccccc1Oc1ccc(C(N)=[NH2+])cn1 ZINC000019426453 170795149 /nfs/dbraw/zinc/79/51/49/170795149.db2.gz VVWNDIUQGXDFIO-LLVKDONJSA-N 1 0 269.348 3.671 10 0 CHAERO CC(C)c1ccc(O[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000019670782 170835560 /nfs/dbraw/zinc/83/55/60/170835560.db2.gz SQGHYUJSUZKERU-KRWDZBQOSA-N 1 0 255.361 3.889 10 0 CHAERO Cc1ccc(C)c(O[C@@H](C[NH3+])c2ccccc2F)c1 ZINC000019671755 170835904 /nfs/dbraw/zinc/83/59/04/170835904.db2.gz APHPEIPVHASZPU-INIZCTEOSA-N 1 0 259.324 3.521 10 0 CHAERO NC(=[NH2+])c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000019866128 170899531 /nfs/dbraw/zinc/89/95/31/170899531.db2.gz XOTBDUPPBNODRV-UHFFFAOYSA-N 1 0 262.312 3.916 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2F)cc1 ZINC000019967498 170948897 /nfs/dbraw/zinc/94/88/97/170948897.db2.gz LORKSSNHCLDRKP-OAHLLOKOSA-N 1 0 279.742 3.926 10 0 CHAERO c1ccc(CCC[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000020122756 171003600 /nfs/dbraw/zinc/00/36/00/171003600.db2.gz VIQFOVBLFKROHP-QGZVFWFLSA-N 1 0 267.372 3.733 10 0 CHAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000020129396 171017142 /nfs/dbraw/zinc/01/71/42/171017142.db2.gz OOEMEKRRCOTUKZ-VQIMIIECSA-N 1 0 282.431 3.949 10 0 CHAERO CSc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N(C)C)cc1 ZINC000020145886 171032159 /nfs/dbraw/zinc/03/21/59/171032159.db2.gz NBCQWWKQMMWASR-BBRMVZONSA-N 1 0 280.481 3.645 10 0 CHAERO C=COCCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000020197659 171061735 /nfs/dbraw/zinc/06/17/35/171061735.db2.gz DJURHXGSQAUJKF-GFCCVEGCSA-N 1 0 251.395 3.609 10 0 CHAERO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000020208221 171072200 /nfs/dbraw/zinc/07/22/00/171072200.db2.gz QKNWBKHCVZPZOO-RULNRJAQSA-N 1 0 271.763 3.697 10 0 CHAERO CN(Cc1cccc(Cl)c1)[C@@H](C[NH3+])c1cccs1 ZINC000020225322 171087703 /nfs/dbraw/zinc/08/77/03/171087703.db2.gz QXTLZKDYSJDCRD-ZDUSSCGKSA-N 1 0 280.824 3.533 10 0 CHAERO CN(Cc1ccccc1F)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225955 171089399 /nfs/dbraw/zinc/08/93/99/171089399.db2.gz BOSLTBSYQNDSRU-MRXNPFEDSA-N 1 0 292.785 3.611 10 0 CHAERO CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000020225908 171090125 /nfs/dbraw/zinc/09/01/25/171090125.db2.gz RRVVDJWFJBUDEM-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CC(C)CN(C)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020226699 171091713 /nfs/dbraw/zinc/09/17/13/171091713.db2.gz OGJNVRADIRBRLW-CYBMUJFWSA-N 1 0 275.223 3.581 10 0 CHAERO CCc1ccc(CN(CCC[NH3+])c2ccccc2)cc1 ZINC000020236886 171095988 /nfs/dbraw/zinc/09/59/88/171095988.db2.gz JCGFIDSAXGWKRK-UHFFFAOYSA-N 1 0 268.404 3.604 10 0 CHAERO [NH3+]CCCN(Cc1ccccc1)c1cccc(Cl)c1 ZINC000020237367 171096230 /nfs/dbraw/zinc/09/62/30/171096230.db2.gz MQDRRRYBKGUBAP-UHFFFAOYSA-N 1 0 274.795 3.695 10 0 CHAERO [NH3+]CCCN(Cc1cccc(Cl)c1)c1ccccc1 ZINC000020236902 171096519 /nfs/dbraw/zinc/09/65/19/171096519.db2.gz WYLRMKZBRQKNSE-UHFFFAOYSA-N 1 0 274.795 3.695 10 0 CHAERO N[C@H](CC[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000020273998 171130491 /nfs/dbraw/zinc/13/04/91/171130491.db2.gz WUAADKHHMXKFJC-OAHLLOKOSA-N 1 0 266.816 3.606 10 0 CHAERO [NH3+]CCCCCCc1nc2cc(Cl)ccc2o1 ZINC000020376202 171170888 /nfs/dbraw/zinc/17/08/88/171170888.db2.gz MCDFEABBBGDZLD-UHFFFAOYSA-N 1 0 252.745 3.543 10 0 CHAERO [NH3+][C@@H](CCc1ccccc1)c1ccc2c(c1)CCC2 ZINC000020384572 171175373 /nfs/dbraw/zinc/17/53/73/171175373.db2.gz QNSBMLOWMIFRDU-SFHVURJKSA-N 1 0 251.373 3.808 10 0 CHAERO CCc1ccc(-n2cc(C[NH3+])c(-c3ccc(C)cc3)n2)cc1 ZINC000020390798 171179348 /nfs/dbraw/zinc/17/93/48/171179348.db2.gz DREZMASNPYEPJO-UHFFFAOYSA-N 1 0 291.398 3.869 10 0 CHAERO C[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1C[NH3+] ZINC000020469975 171211866 /nfs/dbraw/zinc/21/18/66/171211866.db2.gz HVPHBZYHQYEMLQ-ZWNOBZJWSA-N 1 0 253.773 3.756 10 0 CHAERO CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000020482070 171222188 /nfs/dbraw/zinc/22/21/88/171222188.db2.gz LLQKOLVMKKBVJP-CHWSQXEVSA-N 1 0 262.397 3.861 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)c1ccc(C)cc1 ZINC000020484709 171224513 /nfs/dbraw/zinc/22/45/13/171224513.db2.gz GQTFLBGXWVWUFS-QGZVFWFLSA-N 1 0 262.441 3.897 10 0 CHAERO CCCC[NH+](CCCC)C[C@H](N)c1ccc(C)cc1 ZINC000020485471 171225470 /nfs/dbraw/zinc/22/54/70/171225470.db2.gz QVCRMSCWWAYTKU-KRWDZBQOSA-N 1 0 262.441 3.897 10 0 CHAERO CC(C)CCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020511342 171230983 /nfs/dbraw/zinc/23/09/83/171230983.db2.gz DHZRJIBXCPYRMI-SOUVJXGZSA-N 1 0 255.446 3.981 10 0 CHAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000020517101 171232708 /nfs/dbraw/zinc/23/27/08/171232708.db2.gz PHYKQPSNTYHKOP-WZRBSPASSA-N 1 0 251.345 3.803 10 0 CHAERO CCCCCC[C@@H](CN)[N@H+](CC)C1CCCCC1 ZINC000020520585 171233921 /nfs/dbraw/zinc/23/39/21/171233921.db2.gz CZSZOKHLMUHLBI-INIZCTEOSA-N 1 0 254.462 3.939 10 0 CHAERO CCc1ccc([C@@H]([NH3+])COc2ccc(C)c(C)c2)cc1 ZINC000020546499 171243987 /nfs/dbraw/zinc/24/39/87/171243987.db2.gz YWOTVPLHHNYNRH-SFHVURJKSA-N 1 0 269.388 3.945 10 0 CHAERO CC(C)[C@@H]([C@@H](N)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000020546227 171244033 /nfs/dbraw/zinc/24/40/33/171244033.db2.gz GPQSLYWPUOZNAR-XIRDDKMYSA-N 1 0 260.425 3.585 10 0 CHAERO CCCC[N@H+](CC)C[C@@H](N)c1ccc(CCC)cc1 ZINC000020547436 171245162 /nfs/dbraw/zinc/24/51/62/171245162.db2.gz OZUOLWYRMMRIJF-QGZVFWFLSA-N 1 0 262.441 3.761 10 0 CHAERO CC(C)c1ccc(OC[C@H]([NH3+])c2ccccc2)cc1 ZINC000020564196 171253023 /nfs/dbraw/zinc/25/30/23/171253023.db2.gz SJURMUUHQCVYRR-KRWDZBQOSA-N 1 0 255.361 3.889 10 0 CHAERO Nc1c[nH+]ccc1Nc1ccc(Cl)cc1Cl ZINC000020584958 171258159 /nfs/dbraw/zinc/25/81/59/171258159.db2.gz ZBIMYOLQZPZYTH-UHFFFAOYSA-N 1 0 254.120 3.714 10 0 CHAERO Fc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000020595869 171264747 /nfs/dbraw/zinc/26/47/47/171264747.db2.gz IPBPSIKVMHBMCH-KRWDZBQOSA-N 1 0 270.351 3.512 10 0 CHAERO Cc1ccc(OC[C@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000021009019 171285866 /nfs/dbraw/zinc/28/58/66/171285866.db2.gz QYZWTXXYYZPJSH-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO CC(C)c1ccc([C@@H]([NH3+])CN(C)c2ccccc2)cc1 ZINC000021010844 171286616 /nfs/dbraw/zinc/28/66/16/171286616.db2.gz BZOHTPHUISTYHK-SFHVURJKSA-N 1 0 268.404 3.946 10 0 CHAERO CC[NH+](CC)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000021011458 171287199 /nfs/dbraw/zinc/28/71/99/171287199.db2.gz HCOJJWJRCZKJNJ-HOTGVXAUSA-N 1 0 254.462 3.939 10 0 CHAERO Cc1cc(C)c([C@@H]([NH3+])COc2ccccc2)c(C)c1 ZINC000021020239 171290476 /nfs/dbraw/zinc/29/04/76/171290476.db2.gz OPRBVBWYJYUTPQ-INIZCTEOSA-N 1 0 255.361 3.691 10 0 CHAERO CCCc1ccc([C@H](N)C[NH+]2CCCCCC2)cc1 ZINC000021057487 171296010 /nfs/dbraw/zinc/29/60/10/171296010.db2.gz MFIZFHVBKFCORA-QGZVFWFLSA-N 1 0 260.425 3.515 10 0 CHAERO C[C@H]1C[C@H](C)C[NH+](C[C@@H](N)c2ccc(C(C)(C)C)cc2)C1 ZINC000021059844 171296876 /nfs/dbraw/zinc/29/68/76/171296876.db2.gz CTQANEYRCWMJON-RLFYNMQTSA-N 1 0 288.479 3.962 10 0 CHAERO CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C)N(C)C ZINC000021501193 171305408 /nfs/dbraw/zinc/30/54/08/171305408.db2.gz WYZDTENYNYPFQZ-YVSFHVDLSA-N 1 0 268.489 3.623 10 0 CHAERO C[C@@H]1CCCC[N@@H+]1C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021504147 171307014 /nfs/dbraw/zinc/30/70/14/171307014.db2.gz NVTUOCJCGORCAK-RHSMWYFYSA-N 1 0 274.452 3.858 10 0 CHAERO C[C@@H]1CCCC[N@@H+]1[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000021507096 171308408 /nfs/dbraw/zinc/30/84/08/171308408.db2.gz WLNXLSZAFWAAEF-PBHICJAKSA-N 1 0 274.452 3.858 10 0 CHAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H]1CCCC[NH2+]1 ZINC000021507272 171308469 /nfs/dbraw/zinc/30/84/69/171308469.db2.gz IPBUIVCNBXWVAD-VGWMRTNUSA-N 1 0 253.430 3.606 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@@H]1CCCC[NH2+]1 ZINC000021507270 171308471 /nfs/dbraw/zinc/30/84/71/171308471.db2.gz IPBUIVCNBXWVAD-UGUYLWEFSA-N 1 0 253.430 3.606 10 0 CHAERO CCc1cccc(OC[C@H]([NH3+])c2ccc(C)cc2)c1 ZINC000021508563 171308665 /nfs/dbraw/zinc/30/86/65/171308665.db2.gz HSNZPPYYGSFEDK-KRWDZBQOSA-N 1 0 255.361 3.636 10 0 CHAERO CCOc1cc2c(cc1C[NH2+]CCC(C)C)O[C@@H](C)C2 ZINC000021507962 171308779 /nfs/dbraw/zinc/30/87/79/171308779.db2.gz RYHHWTAAIYIYTK-ZDUSSCGKSA-N 1 0 277.408 3.544 10 0 CHAERO CCN1CCC[C@@H]1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510989 171310210 /nfs/dbraw/zinc/31/02/10/171310210.db2.gz VQADWPQNARJUMQ-RZVNPHJZSA-N 1 0 290.495 3.665 10 0 CHAERO CCCC[N@H+](CC)C[C@H](N)c1ccc(OCCC)cc1 ZINC000021515333 171311745 /nfs/dbraw/zinc/31/17/45/171311745.db2.gz XQEZKVIMWDOPKE-KRWDZBQOSA-N 1 0 278.440 3.597 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])COc2c(C)cccc2C)cc1 ZINC000021515358 171311792 /nfs/dbraw/zinc/31/17/92/171311792.db2.gz RHWANFYKOGCORY-KRWDZBQOSA-N 1 0 285.387 3.781 10 0 CHAERO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000021514871 171311962 /nfs/dbraw/zinc/31/19/62/171311962.db2.gz IEIOMESVALJAIP-CVEARBPZSA-N 1 0 254.462 3.521 10 0 CHAERO CCCOc1ccccc1O[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000021800933 171325836 /nfs/dbraw/zinc/32/58/36/171325836.db2.gz DQQXSVCOTAUJHR-HUUCEWRRSA-N 1 0 277.408 3.904 10 0 CHAERO CCC(CC)[C@@H](C[NH2+][C@@H](C)CCC(C)C)N(C)C ZINC000021801438 171326324 /nfs/dbraw/zinc/32/63/24/171326324.db2.gz NLTGRHLJYDHWQM-GOEBONIOSA-N 1 0 256.478 3.767 10 0 CHAERO CCc1ccc([C@@H]([NH3+])CN2c3ccccc3C[C@@H]2C)cc1 ZINC000021811150 171329480 /nfs/dbraw/zinc/32/94/80/171329480.db2.gz LNXTYUKXIUMFPJ-KSSFIOAISA-N 1 0 280.415 3.700 10 0 CHAERO CC[N@H+](C[C@H](N)c1ccc(C)c(C)c1)C1CCCCC1 ZINC000021813265 171330542 /nfs/dbraw/zinc/33/05/42/171330542.db2.gz GMHWNQJELIRHQT-SFHVURJKSA-N 1 0 274.452 3.958 10 0 CHAERO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000021814091 171331394 /nfs/dbraw/zinc/33/13/94/171331394.db2.gz PKVZVKVBJXFHAB-MAUKXSAKSA-N 1 0 274.452 3.945 10 0 CHAERO C[C@@H]([NH3+])c1ccc(Oc2ccc3c(c2)CCC3)cc1 ZINC000021819567 171334152 /nfs/dbraw/zinc/33/41/52/171334152.db2.gz ORJMBUPYSZMWCR-GFCCVEGCSA-N 1 0 253.345 3.987 10 0 CHAERO CCc1ccc([C@@H](N)C[NH+]2CCCCCCC2)cc1 ZINC000021819813 171334244 /nfs/dbraw/zinc/33/42/44/171334244.db2.gz OMUDTHOJCWZKRH-KRWDZBQOSA-N 1 0 260.425 3.515 10 0 CHAERO CCN(CC)CC[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000022151185 171358438 /nfs/dbraw/zinc/35/84/38/171358438.db2.gz MJHBVEMWLXZBSF-UHFFFAOYSA-N 1 0 292.467 3.543 10 0 CHAERO CC[N@H+](C[C@@H](N)c1ccc(C)cc1)C1CCCCC1 ZINC000022151139 171358646 /nfs/dbraw/zinc/35/86/46/171358646.db2.gz YRMXCQHHHPBXFX-QGZVFWFLSA-N 1 0 260.425 3.649 10 0 CHAERO CC[C@H]([NH3+])c1ccccc1OCCc1ccccc1 ZINC000022161207 171364314 /nfs/dbraw/zinc/36/43/14/171364314.db2.gz VYOJHOHFUJHNIM-INIZCTEOSA-N 1 0 255.361 3.718 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(OCc2cccc(F)c2)cc1 ZINC000022212765 171374344 /nfs/dbraw/zinc/37/43/44/171374344.db2.gz LGUSWQWFLDYGQJ-MRXNPFEDSA-N 1 0 259.324 3.815 10 0 CHAERO CC1CC[NH+](C[C@@H](N)c2ccc3ccccc3c2)CC1 ZINC000023070867 171410588 /nfs/dbraw/zinc/41/05/88/171410588.db2.gz SNPOXUKFDJSHEN-GOSISDBHSA-N 1 0 268.404 3.572 10 0 CHAERO [NH3+]CCSc1nc2ccccc2cc1-c1ccccc1 ZINC000026293361 171479210 /nfs/dbraw/zinc/47/92/10/171479210.db2.gz SNXVNYPGTWYYJB-UHFFFAOYSA-N 1 0 280.396 3.953 10 0 CHAERO C[NH+](C)Cc1sc(N)nc1-c1ccc2ccccc2c1 ZINC000026442869 171484572 /nfs/dbraw/zinc/48/45/72/171484572.db2.gz KWHWXAFZSQQRFB-UHFFFAOYSA-N 1 0 283.400 3.607 10 0 CHAERO C=Cc1cc(C)c2cc(OC)cc(N[C@H](C)CCC[NH3+])c2n1 ZINC000027648071 171526660 /nfs/dbraw/zinc/52/66/60/171526660.db2.gz AYDFUWBKVGDLBN-CYBMUJFWSA-N 1 0 299.418 3.734 10 0 CHAERO Fc1ccc(Oc2ccccc2C[NH2+]C2CC2)cc1 ZINC000034833923 171882133 /nfs/dbraw/zinc/88/21/33/171882133.db2.gz QDLCKXMJCQXPON-UHFFFAOYSA-N 1 0 257.308 3.870 10 0 CHAERO CCOc1cccc(C[NH2+]C2CCC(C)CC2)c1OC ZINC000034991910 171918893 /nfs/dbraw/zinc/91/88/93/171918893.db2.gz JQKWWYMSINTZQL-UHFFFAOYSA-N 1 0 277.408 3.762 10 0 CHAERO CC(C)CC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159838 172017501 /nfs/dbraw/zinc/01/75/01/172017501.db2.gz JZKLDCYXDJBEQC-UHFFFAOYSA-N 1 0 289.206 3.568 10 0 CHAERO CC1CCC(C[NH3+])(N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000035176765 172030222 /nfs/dbraw/zinc/03/02/22/172030222.db2.gz GUWDKLRVFNCEGX-YZUHTNEWSA-N 1 0 264.457 3.549 10 0 CHAERO C[N@H+](C1CCCCC1)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000035219765 172060854 /nfs/dbraw/zinc/06/08/54/172060854.db2.gz UXTSKUIEIWJQAD-MSOLQXFVSA-N 1 0 272.436 3.656 10 0 CHAERO CCC[C@H](C)[N@H+](C)Cc1cc(C(C)=O)ccc1OC ZINC000035255588 172085231 /nfs/dbraw/zinc/08/52/31/172085231.db2.gz KSBJTQRQTMQUIC-LBPRGKRZSA-N 1 0 263.381 3.518 10 0 CHAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000035258123 172089346 /nfs/dbraw/zinc/08/93/46/172089346.db2.gz PEKMDTGHNUNXPU-NEPJUHHUSA-N 1 0 261.287 3.799 10 0 CHAERO C[C@H]1CCCC[C@H]1Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332613 172131089 /nfs/dbraw/zinc/13/10/89/172131089.db2.gz WOJAAMDWYBVATP-XHDPSFHLSA-N 1 0 255.365 3.808 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cc3c(s2)CCC3)c(C)c1 ZINC000035381198 172163531 /nfs/dbraw/zinc/16/35/31/172163531.db2.gz GWIDDWZVDMMPBP-INIZCTEOSA-N 1 0 273.401 3.602 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cc(Cl)ccc2F)cc1F ZINC000035424597 172193316 /nfs/dbraw/zinc/19/33/16/172193316.db2.gz JNQSZUYEBVTSQD-AWEZNQCLSA-N 1 0 283.705 3.675 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)c(Br)c1)C(C)(C)C ZINC000035455160 172206703 /nfs/dbraw/zinc/20/67/03/172206703.db2.gz KYWAITKTYWFRGG-GFCCVEGCSA-N 1 0 286.213 3.764 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)c(Br)c1)C1CCCC1 ZINC000035455755 172206742 /nfs/dbraw/zinc/20/67/42/172206742.db2.gz COAUFZMOQHZTCM-CQSZACIVSA-N 1 0 298.224 3.908 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccccc1OC(F)F ZINC000035458764 172207351 /nfs/dbraw/zinc/20/73/51/172207351.db2.gz CHLSPKHALMUCEL-CYBMUJFWSA-N 1 0 283.343 3.967 10 0 CHAERO C[NH2+][C@H](c1ccc(C)c(C)c1)c1cc(F)cc(F)c1 ZINC000035457409 172207787 /nfs/dbraw/zinc/20/77/87/172207787.db2.gz POENENMFUHXCFI-MRXNPFEDSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@H](c1ccc(C)o1)c1ccc(OC)c(Cl)c1 ZINC000035461574 172210185 /nfs/dbraw/zinc/21/01/85/172210185.db2.gz YLJOAZUTGMEWEL-AWEZNQCLSA-N 1 0 265.740 3.559 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc(OC)c(Cl)c1 ZINC000035461570 172210256 /nfs/dbraw/zinc/21/02/56/172210256.db2.gz YLJOAZUTGMEWEL-CQSZACIVSA-N 1 0 265.740 3.559 10 0 CHAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(OC)c(Cl)c1 ZINC000035462219 172210836 /nfs/dbraw/zinc/21/08/36/172210836.db2.gz BJCZPYDAWHOQPA-SECBINFHSA-N 1 0 267.678 3.562 10 0 CHAERO CCOc1ccccc1[C@@H]([NH2+]C)c1ccc(F)cc1 ZINC000035463876 172211335 /nfs/dbraw/zinc/21/13/35/172211335.db2.gz OUVRKWRUVRUTKK-INIZCTEOSA-N 1 0 259.324 3.533 10 0 CHAERO C[NH2+][C@H](c1cc2c(s1)CCCC2)c1ccccc1 ZINC000035464794 172212462 /nfs/dbraw/zinc/21/24/62/172212462.db2.gz CZDYYTMEKHGIGQ-INIZCTEOSA-N 1 0 257.402 3.936 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)cc1)c1ccc(Cl)cc1F ZINC000035465718 172213244 /nfs/dbraw/zinc/21/32/44/172213244.db2.gz FMRDTSCRIPESNB-HNNXBMFYSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@@H](CCc1ccccc1)c1cc(F)ccc1F ZINC000035468734 172218583 /nfs/dbraw/zinc/21/85/83/172218583.db2.gz YDNQBQGWKSVESI-INIZCTEOSA-N 1 0 261.315 3.858 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035468794 172218665 /nfs/dbraw/zinc/21/86/65/172218665.db2.gz KAQIGGSJRUNJAO-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1ccc(OC(F)F)cc1 ZINC000035487884 172223340 /nfs/dbraw/zinc/22/33/40/172223340.db2.gz LPCBLMOCLZVNHT-GFCCVEGCSA-N 1 0 269.316 3.658 10 0 CHAERO C[NH2+][C@H](c1cc(C)ccc1C)c1c(F)cccc1F ZINC000035489811 172224982 /nfs/dbraw/zinc/22/49/82/172224982.db2.gz LVZSBFMITVVINL-MRXNPFEDSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)[C@H]1Cc2ccccc2O1 ZINC000035497607 172231541 /nfs/dbraw/zinc/23/15/41/172231541.db2.gz DZCGAQNJNVGGLX-CVEARBPZSA-N 1 0 273.401 3.629 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035498419 172231986 /nfs/dbraw/zinc/23/19/86/172231986.db2.gz XRUNOONDJVBDEI-GFCCVEGCSA-N 1 0 255.745 3.849 10 0 CHAERO C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(Cl)s1 ZINC000035498543 172232002 /nfs/dbraw/zinc/23/20/02/172232002.db2.gz WWKIYHWGVYZCMZ-GFCCVEGCSA-N 1 0 281.808 3.913 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)c(Br)c1)C1CCC1 ZINC000035508643 172241067 /nfs/dbraw/zinc/24/10/67/172241067.db2.gz ABIOVOOSYWGOAV-CQSZACIVSA-N 1 0 298.224 3.908 10 0 CHAERO CCCC[C@H]([NH2+]CC)c1ccc(OC)c(OC)c1 ZINC000035539462 172245536 /nfs/dbraw/zinc/24/55/36/172245536.db2.gz DDAQCQVKWKBKGT-ZDUSSCGKSA-N 1 0 251.370 3.545 10 0 CHAERO CC[NH2+][C@H](c1sccc1C)c1ccc(OC)cc1 ZINC000035540710 172246924 /nfs/dbraw/zinc/24/69/24/172246924.db2.gz PVIIGBNZTPXUPK-AWEZNQCLSA-N 1 0 261.390 3.764 10 0 CHAERO CC[NH2+][C@@H](c1ccc(Br)o1)c1ccccc1 ZINC000035540446 172246927 /nfs/dbraw/zinc/24/69/27/172246927.db2.gz OEZKHKANYCUZPH-CYBMUJFWSA-N 1 0 280.165 3.741 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1ccc(F)c(F)c1 ZINC000035545452 172253454 /nfs/dbraw/zinc/25/34/54/172253454.db2.gz YJLKYKXSWLNPGB-CYBMUJFWSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@@H](c1occc1C)c1ccc(F)c(F)c1 ZINC000035548609 172256861 /nfs/dbraw/zinc/25/68/61/172256861.db2.gz RXPABVNWAKYHER-CYBMUJFWSA-N 1 0 251.276 3.565 10 0 CHAERO CC[NH2+][C@@H](CC(C)(C)C)c1cc(F)ccc1OC ZINC000035554599 172260924 /nfs/dbraw/zinc/26/09/24/172260924.db2.gz KYCHDLPZUKEGJI-ZDUSSCGKSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)[C@@H]1C[C@@H]1C ZINC000035557639 172263897 /nfs/dbraw/zinc/26/38/97/172263897.db2.gz VBWQQJLQWJWSAL-WMFXKJRFSA-N 1 0 283.799 3.664 10 0 CHAERO CC[NH2+][C@@H](c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000035559729 172264187 /nfs/dbraw/zinc/26/41/87/172264187.db2.gz RWORQXMEKLWHFY-SCZZXKLOSA-N 1 0 280.220 3.885 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(F)c1)C1CCCC1 ZINC000035572389 172268892 /nfs/dbraw/zinc/26/88/92/172268892.db2.gz WLOGCQPUGUQRFK-HNNXBMFYSA-N 1 0 251.345 3.675 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(CC)s1)[C@@H]1CCCO1 ZINC000035573633 172270532 /nfs/dbraw/zinc/27/05/32/172270532.db2.gz WHWXYYYPAQGBIT-GXTWGEPZSA-N 1 0 253.411 3.530 10 0 CHAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)cc1 ZINC000035576701 172273491 /nfs/dbraw/zinc/27/34/91/172273491.db2.gz BUSGGAKIWYHPLF-GFCCVEGCSA-N 1 0 261.287 3.688 10 0 CHAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1F ZINC000035582035 172279635 /nfs/dbraw/zinc/27/96/35/172279635.db2.gz XRJIXMJHQXWKPF-NSHDSACASA-N 1 0 267.241 3.958 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(CCC)cc1)[C@H]1CCCO1 ZINC000035582864 172281275 /nfs/dbraw/zinc/28/12/75/172281275.db2.gz RBPKAHWOCXHYRX-SJORKVTESA-N 1 0 261.409 3.859 10 0 CHAERO CCC[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000035583671 172281714 /nfs/dbraw/zinc/28/17/14/172281714.db2.gz GXIUZCOIDHSDDZ-CABZTGNLSA-N 1 0 259.802 3.621 10 0 CHAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)[C@H](C)CC ZINC000035583910 172282786 /nfs/dbraw/zinc/28/27/86/172282786.db2.gz IDGJKWWGLQQPHJ-IAQYHMDHSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035586352 172285549 /nfs/dbraw/zinc/28/55/49/172285549.db2.gz ABUVRTFLDLGMBS-CYBMUJFWSA-N 1 0 298.217 4.000 10 0 CHAERO CCCC[C@H](CC)[C@@H](Cc1ncc[nH]1)[NH2+]CCC ZINC000035586394 172285686 /nfs/dbraw/zinc/28/56/86/172285686.db2.gz YNYMLSTXZAVGEF-UONOGXRCSA-N 1 0 251.418 3.537 10 0 CHAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(OC)c(F)c1 ZINC000035598538 172287716 /nfs/dbraw/zinc/28/77/16/172287716.db2.gz HDUFWXWXIHIZGQ-AWEZNQCLSA-N 1 0 253.361 3.921 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@H](C)CC ZINC000035598526 172287869 /nfs/dbraw/zinc/28/78/69/172287869.db2.gz BDFAUWAHYLJZPM-IAQYHMDHSA-N 1 0 253.361 3.921 10 0 CHAERO Cc1ccc(OCc2ccccc2F)c([C@@H](C)[NH3+])c1 ZINC000035629414 172310176 /nfs/dbraw/zinc/31/01/76/172310176.db2.gz LQXMFIPELUOGJZ-GFCCVEGCSA-N 1 0 259.324 3.733 10 0 CHAERO Clc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CC1)CCO2 ZINC000035654186 172330520 /nfs/dbraw/zinc/33/05/20/172330520.db2.gz LCXPWNOUWDRTNU-NSHDSACASA-N 1 0 258.148 3.569 10 0 CHAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000035717268 172371194 /nfs/dbraw/zinc/37/11/94/172371194.db2.gz FKLBCNMEJXYIAZ-AWEZNQCLSA-N 1 0 280.824 3.533 10 0 CHAERO CN(Cc1cccs1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000035717253 172371258 /nfs/dbraw/zinc/37/12/58/172371258.db2.gz BAYZUGQEVUHGRB-CQSZACIVSA-N 1 0 280.824 3.533 10 0 CHAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000035717251 172371531 /nfs/dbraw/zinc/37/15/31/172371531.db2.gz BAYZUGQEVUHGRB-AWEZNQCLSA-N 1 0 280.824 3.533 10 0 CHAERO [NH3+]Cc1ccc(Sc2ccc(F)c(F)c2)cc1 ZINC000035719911 172374823 /nfs/dbraw/zinc/37/48/23/172374823.db2.gz QUVBLUPHBHCESP-UHFFFAOYSA-N 1 0 251.301 3.575 10 0 CHAERO COc1ccc(S[C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC000035723787 172378795 /nfs/dbraw/zinc/37/87/95/172378795.db2.gz LDFKBNPJFCULCO-YWPYICTPSA-N 1 0 265.422 3.551 10 0 CHAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1nc2ccccc2[nH]1 ZINC000035723676 172378812 /nfs/dbraw/zinc/37/88/12/172378812.db2.gz WKRXWVRPFXWALU-FZMZJTMJSA-N 1 0 275.421 3.563 10 0 CHAERO Cc1cc(OCc2cccc(C[NH3+])c2)ccc1Cl ZINC000035725621 172379753 /nfs/dbraw/zinc/37/97/53/172379753.db2.gz VREMKSBALVEYPD-UHFFFAOYSA-N 1 0 261.752 3.686 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1cc(F)ccc1F ZINC000035725011 172379927 /nfs/dbraw/zinc/37/99/27/172379927.db2.gz QSDZYKNMZJQBOK-CABZTGNLSA-N 1 0 257.349 3.574 10 0 CHAERO C[C@H](C[NH3+])COc1ccc2cc(Br)ccc2c1 ZINC000035726757 172380425 /nfs/dbraw/zinc/38/04/25/172380425.db2.gz XCNMIVSTIYVDEV-SNVBAGLBSA-N 1 0 294.192 3.576 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+]C(C)C)C[C@H](C)S2 ZINC000035760795 172399307 /nfs/dbraw/zinc/39/93/07/172399307.db2.gz XDYAUHDRGRJVHE-GWCFXTLKSA-N 1 0 251.395 3.619 10 0 CHAERO COc1cc(OC)cc(Oc2ccc([C@@H](C)[NH3+])cc2F)c1 ZINC000036205284 172516742 /nfs/dbraw/zinc/51/67/42/172516742.db2.gz OGKJTNCTQVBZFU-SNVBAGLBSA-N 1 0 291.322 3.655 10 0 CHAERO CCCCSc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000036333189 172617346 /nfs/dbraw/zinc/61/73/46/172617346.db2.gz CVOYTWFSIWOTCU-UHFFFAOYSA-N 1 0 276.327 3.882 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)cc1Cl)C1CCCC1 ZINC000036768208 172686556 /nfs/dbraw/zinc/68/65/56/172686556.db2.gz CNYAWQJOBQGXIF-AWEZNQCLSA-N 1 0 253.773 3.799 10 0 CHAERO Cc1ccc(C)c(Oc2ccc(C(N)=[NH2+])cc2F)c1C ZINC000036888141 172783062 /nfs/dbraw/zinc/78/30/62/172783062.db2.gz VKKOCVMULQHUOD-UHFFFAOYSA-N 1 0 272.323 3.827 10 0 CHAERO NC(=[NH2+])c1ccc(Oc2ccccc2Cl)c(F)c1 ZINC000036887939 172783101 /nfs/dbraw/zinc/78/31/01/172783101.db2.gz KCIMTVSSUYJQHL-UHFFFAOYSA-N 1 0 264.687 3.555 10 0 CHAERO C[C@H]([NH3+])c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000036889686 172784262 /nfs/dbraw/zinc/78/42/62/172784262.db2.gz GBOJHWCZONMURI-JTQLQIEISA-N 1 0 274.751 3.612 10 0 CHAERO CCCCCN(C)c1cccc(F)c1[C@H](C)[NH2+]C ZINC000037171806 173005208 /nfs/dbraw/zinc/00/52/08/173005208.db2.gz FQANAHPAQROWBB-LBPRGKRZSA-N 1 0 252.377 3.733 10 0 CHAERO Cc1ccc2sc([C@H]([NH3+])Cc3ccccc3)nc2c1 ZINC000037204481 173026709 /nfs/dbraw/zinc/02/67/09/173026709.db2.gz BQLYSQKBWUBWDO-CYBMUJFWSA-N 1 0 268.385 3.847 10 0 CHAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(C)cc2)C1 ZINC000037210397 173032676 /nfs/dbraw/zinc/03/26/76/173032676.db2.gz ABVWTMGXSASZGX-HZPDHXFCSA-N 1 0 260.425 3.917 10 0 CHAERO Cc1ccc(N[C@H](C)[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000037221878 173041740 /nfs/dbraw/zinc/04/17/40/173041740.db2.gz UMSQJDHIEIBVFD-CHWSQXEVSA-N 1 0 266.816 3.791 10 0 CHAERO CC(C)[C@@H](CN[C@@H](C)c1ccc(F)cc1Cl)[NH+](C)C ZINC000037233288 173052742 /nfs/dbraw/zinc/05/27/42/173052742.db2.gz DDQZQKWTEOVYAU-XHDPSFHLSA-N 1 0 286.822 3.716 10 0 CHAERO COc1ccc(C[NH2+][C@H](c2cccs2)C(C)C)cn1 ZINC000037235992 173054233 /nfs/dbraw/zinc/05/42/33/173054233.db2.gz WJTIOHQFONMGOK-HNNXBMFYSA-N 1 0 276.405 3.639 10 0 CHAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OC)c1ccc(C)cc1 ZINC000037296012 173100189 /nfs/dbraw/zinc/10/01/89/173100189.db2.gz VBWUFFICJUCXIY-ZACQAIPSSA-N 1 0 261.409 3.993 10 0 CHAERO CC[C@@H](C)C[N@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037337221 173138410 /nfs/dbraw/zinc/13/84/10/173138410.db2.gz PEVSKABXTGALGE-GFCCVEGCSA-N 1 0 261.409 3.772 10 0 CHAERO Cc1ccc(C(=O)C[N@@H+](C)C2CCCCCC2)cc1 ZINC000037340206 173142088 /nfs/dbraw/zinc/14/20/88/173142088.db2.gz HFFIHCYUOSBPPX-UHFFFAOYSA-N 1 0 259.393 3.832 10 0 CHAERO CSCC[C@H]([NH3+])c1nc2cc(C)ccc2n1C(C)C ZINC000037438533 173208949 /nfs/dbraw/zinc/20/89/49/173208949.db2.gz LEJZGHCFYMVHPZ-LBPRGKRZSA-N 1 0 277.437 3.679 10 0 CHAERO CCn1c2c(cccc2Cl)nc1[C@@H]([NH3+])CC(C)C ZINC000037443877 173211979 /nfs/dbraw/zinc/21/19/79/173211979.db2.gz VUPNMNVLZJUVTL-NSHDSACASA-N 1 0 265.788 3.756 10 0 CHAERO C[C@]([NH3+])(Cc1ccccc1Br)c1ccccc1 ZINC000037531029 173253471 /nfs/dbraw/zinc/25/34/71/173253471.db2.gz GFSMEJJXORQPPL-HNNXBMFYSA-N 1 0 290.204 3.866 10 0 CHAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037534061 173254312 /nfs/dbraw/zinc/25/43/12/173254312.db2.gz URXQZLDMJMYUNY-OAHLLOKOSA-N 1 0 263.743 3.982 10 0 CHAERO COc1cccc([C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000037533845 173254567 /nfs/dbraw/zinc/25/45/67/173254567.db2.gz HDXISPMRLANIEE-AWEZNQCLSA-N 1 0 292.176 3.506 10 0 CHAERO CCCCCCOc1ccc(C[C@H](C)[NH3+])cc1OC ZINC000037727053 173645667 /nfs/dbraw/zinc/64/56/67/173645667.db2.gz VEBOCOBNUNLGIQ-ZDUSSCGKSA-N 1 0 265.397 3.544 10 0 CHAERO C[C@H](Cc1c(F)cccc1F)[NH2+]Cc1cccs1 ZINC000037775976 173708035 /nfs/dbraw/zinc/70/80/35/173708035.db2.gz ODWYURRJXOYLMT-SNVBAGLBSA-N 1 0 267.344 3.747 10 0 CHAERO CCSc1ccccc1N[C@H](C)C1CC[NH+](C)CC1 ZINC000037779391 173710587 /nfs/dbraw/zinc/71/05/87/173710587.db2.gz DGPIBFFGDHLFGK-CYBMUJFWSA-N 1 0 278.465 3.941 10 0 CHAERO COC(C)(C)C[C@H](C)[NH2+]CCSc1ccccc1 ZINC000037904101 173836224 /nfs/dbraw/zinc/83/62/24/173836224.db2.gz ZGAAJIUPCQKROT-ZDUSSCGKSA-N 1 0 267.438 3.572 10 0 CHAERO CC[NH2+]Cc1c(Cl)cccc1N1CCC[C@H]1CC ZINC000037914663 173848495 /nfs/dbraw/zinc/84/84/95/173848495.db2.gz IDHHDOALUHRKOH-GFCCVEGCSA-N 1 0 266.816 3.828 10 0 CHAERO CCOC(=O)[C@H]([NH2+]C1CCCCCC1)[C@@H]1CC=CCC1 ZINC000037972749 173926425 /nfs/dbraw/zinc/92/64/25/173926425.db2.gz SIIYVRBNYOBBPM-GDBMZVCRSA-N 1 0 279.424 3.587 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000037992392 173952597 /nfs/dbraw/zinc/95/25/97/173952597.db2.gz KIEHHZCIDKZHQM-INIZCTEOSA-N 1 0 275.779 3.852 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1Cl)c1cccnc1 ZINC000037992661 173952703 /nfs/dbraw/zinc/95/27/03/173952703.db2.gz SJYOJWDFRXBKPU-HNNXBMFYSA-N 1 0 260.768 3.628 10 0 CHAERO CCC[NH2+]CCCOc1ccc(Cl)c(Cl)c1 ZINC000038001551 173964790 /nfs/dbraw/zinc/96/47/90/173964790.db2.gz JIQKLURDFUDCEG-UHFFFAOYSA-N 1 0 262.180 3.762 10 0 CHAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(OC)c(F)c1 ZINC000038005001 173967059 /nfs/dbraw/zinc/96/70/59/173967059.db2.gz LQONFLLYJPAQKK-OCCSQVGLSA-N 1 0 267.388 3.791 10 0 CHAERO C[C@@H](c1ccccc1F)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032476 174028923 /nfs/dbraw/zinc/02/89/23/174028923.db2.gz VIXSUHRREPRRDL-LBPRGKRZSA-N 1 0 270.351 3.527 10 0 CHAERO Cc1nccc(C[NH2+]Cc2cc(-c3ccccc3)cs2)n1 ZINC000038037822 174038635 /nfs/dbraw/zinc/03/86/35/174038635.db2.gz OPEZGFHTVMAKQT-UHFFFAOYSA-N 1 0 295.411 3.803 10 0 CHAERO CCCOc1cccc(C[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000038038344 174039249 /nfs/dbraw/zinc/03/92/49/174039249.db2.gz ZUYGLDWFAZZMFM-KRWDZBQOSA-N 1 0 292.467 3.541 10 0 CHAERO C[NH2+][C@@H](c1ccc2c(c1)CCCO2)C1CCCCC1 ZINC000038058036 174068166 /nfs/dbraw/zinc/06/81/66/174068166.db2.gz IYBFXASIGAWQLS-QGZVFWFLSA-N 1 0 259.393 3.852 10 0 CHAERO C[NH2+][C@@H](CC1CCCC1)c1ccc2c(c1)CCCO2 ZINC000038057940 174068364 /nfs/dbraw/zinc/06/83/64/174068364.db2.gz KQBLFWNKLRBNEJ-INIZCTEOSA-N 1 0 259.393 3.852 10 0 CHAERO C[NH2+][C@H](C)c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000038070481 174081650 /nfs/dbraw/zinc/08/16/50/174081650.db2.gz HCZAFPIEYUIZLY-GFCCVEGCSA-N 1 0 271.360 3.651 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2cnn(-c3ccccc3)c2)c1 ZINC000038073246 174083471 /nfs/dbraw/zinc/08/34/71/174083471.db2.gz YDNSMRZAGINPSJ-CQSZACIVSA-N 1 0 277.371 3.820 10 0 CHAERO C[NH2+][C@@H](C)c1ccccc1-c1ccc(OC)cc1F ZINC000038073779 174084087 /nfs/dbraw/zinc/08/40/87/174084087.db2.gz LYQMMMAWILEZKK-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO Cc1cc(C)cc(C[N@@H+](C)Cc2ccccc2N)c1 ZINC000038076867 174087596 /nfs/dbraw/zinc/08/75/96/174087596.db2.gz GIJDMDMPEAYDRR-UHFFFAOYSA-N 1 0 254.377 3.518 10 0 CHAERO [NH3+][C@@H]1CCCOc2c(Br)c3ccccc3cc21 ZINC000038077574 174087946 /nfs/dbraw/zinc/08/79/46/174087946.db2.gz XEHPHHPLKBMFES-GFCCVEGCSA-N 1 0 292.176 3.775 10 0 CHAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc(Br)c1 ZINC000038095380 174108896 /nfs/dbraw/zinc/10/88/96/174108896.db2.gz GTBNZFAIMWAFNX-SMDDNHRTSA-N 1 0 298.224 3.669 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCCO2)c(C)c1 ZINC000038095612 174109618 /nfs/dbraw/zinc/10/96/18/174109618.db2.gz VGCJUSDMNRQVJL-HZPDHXFCSA-N 1 0 261.409 3.832 10 0 CHAERO Cc1cc([C@@H]([NH3+])Cc2ccc(Br)cc2)c(C)o1 ZINC000038128448 174131571 /nfs/dbraw/zinc/13/15/71/174131571.db2.gz UKAYZOMFNPUHQG-AWEZNQCLSA-N 1 0 294.192 3.901 10 0 CHAERO [NH3+]CCc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC000038314316 174139440 /nfs/dbraw/zinc/13/94/40/174139440.db2.gz BLPGQAOAHPXCBK-UHFFFAOYSA-N 1 0 265.715 3.773 10 0 CHAERO [NH3+]C[C@@H](c1ccc(Cl)cc1Cl)N1CCCCCC1 ZINC000039142608 174164454 /nfs/dbraw/zinc/16/44/54/174164454.db2.gz VOTKQXKBHQRRPI-AWEZNQCLSA-N 1 0 287.234 3.869 10 0 CHAERO CCN(CC)[C@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000039789193 174173761 /nfs/dbraw/zinc/17/37/61/174173761.db2.gz KCPUFGQXDMCDOM-LJQANCHMSA-N 1 0 298.430 3.607 10 0 CHAERO C[C@@H]1CCC[C@@H](OC[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000040177343 174202456 /nfs/dbraw/zinc/20/24/56/174202456.db2.gz ZUHOOTSORCNMMI-GYSYKLTISA-N 1 0 269.335 3.560 10 0 CHAERO Cc1ccccc1-c1nc2ccccc2n1CCC[NH+](C)C ZINC000040389662 174252407 /nfs/dbraw/zinc/25/24/07/174252407.db2.gz STFWQNGVPFNCPW-UHFFFAOYSA-N 1 0 293.414 3.963 10 0 CHAERO CC[C@@H]([NH3+])CCSc1ccc(Br)cc1 ZINC000040542081 174323115 /nfs/dbraw/zinc/32/31/15/174323115.db2.gz FQODOUCASOHZCS-SNVBAGLBSA-N 1 0 274.227 3.669 10 0 CHAERO COCCC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729719 174388367 /nfs/dbraw/zinc/38/83/67/174388367.db2.gz JZYXDKLTOQTORA-UHFFFAOYSA-N 1 0 287.403 3.753 10 0 CHAERO c1csc([C@H]([NH2+]CCN2CCCCCC2)C2CC2)c1 ZINC000042331657 174687471 /nfs/dbraw/zinc/68/74/71/174687471.db2.gz LCSQURAOAWDZDF-MRXNPFEDSA-N 1 0 278.465 3.665 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042331168 174687485 /nfs/dbraw/zinc/68/74/85/174687485.db2.gz SNTSZOMUIPKXOL-ZBFHGGJFSA-N 1 0 280.481 3.765 10 0 CHAERO CC[N@H+]([C@H](c1ccccc1)[C@@H](C)N)C1CCCCC1 ZINC000042900783 174905294 /nfs/dbraw/zinc/90/52/94/174905294.db2.gz MDPDWSDKSVDIAD-PBHICJAKSA-N 1 0 260.425 3.730 10 0 CHAERO Cc1cc(C)c(C)c(O[C@@H](C[NH3+])c2ccccc2)c1 ZINC000042899957 174905348 /nfs/dbraw/zinc/90/53/48/174905348.db2.gz FVNLAHIGWRZLIJ-KRWDZBQOSA-N 1 0 255.361 3.691 10 0 CHAERO Cc1cccc(O[C@@H](c2ccccc2)[C@@H](C)[NH3+])c1C ZINC000042903105 174906656 /nfs/dbraw/zinc/90/66/56/174906656.db2.gz ZUBIELXXYFICAM-RHSMWYFYSA-N 1 0 255.361 3.771 10 0 CHAERO Cc1ccc(O[C@@H](c2ccccc2)[C@H](C)[NH3+])cc1C ZINC000042903229 174907062 /nfs/dbraw/zinc/90/70/62/174907062.db2.gz GXMMULOTXSILLH-WMLDXEAASA-N 1 0 255.361 3.771 10 0 CHAERO COc1cccc(S[C@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000042904488 174907283 /nfs/dbraw/zinc/90/72/83/174907283.db2.gz SNKXSTZLUZFNOO-LRDDRELGSA-N 1 0 273.401 3.876 10 0 CHAERO Cc1ccc([C@H](Oc2ccc(F)cc2)[C@H](C)[NH3+])cc1 ZINC000042910741 174909834 /nfs/dbraw/zinc/90/98/34/174909834.db2.gz YRKGOFHJUFPFRC-BLLLJJGKSA-N 1 0 259.324 3.601 10 0 CHAERO Cc1cccc(O[C@@H](c2ccc(F)cc2)[C@H](C)[NH3+])c1 ZINC000042916277 174916329 /nfs/dbraw/zinc/91/63/29/174916329.db2.gz SFWSZXJELXQKPN-BLLLJJGKSA-N 1 0 259.324 3.601 10 0 CHAERO CCCCOCCO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042949211 174923298 /nfs/dbraw/zinc/92/32/98/174923298.db2.gz IFXAWXFDEILCKA-DOMZBBRYSA-N 1 0 285.815 3.562 10 0 CHAERO CCCCO[C@H](c1ccc(Cl)cc1)[C@H]([NH3+])CC ZINC000042949550 174923344 /nfs/dbraw/zinc/92/33/44/174923344.db2.gz IKWYHJWJUJCTDG-ZIAGYGMSSA-N 1 0 255.789 3.935 10 0 CHAERO Cc1cccc([C@H](Oc2ccc(F)cc2)[C@@H](C)[NH3+])c1 ZINC000042968112 174932602 /nfs/dbraw/zinc/93/26/02/174932602.db2.gz AAGWOXLKYZCBOG-MLGOLLRUSA-N 1 0 259.324 3.601 10 0 CHAERO Cc1csc(S[C@H](C[NH3+])c2cccc(C)c2)n1 ZINC000042969891 174932840 /nfs/dbraw/zinc/93/28/40/174932840.db2.gz ZXRYDWXZSFETQS-GFCCVEGCSA-N 1 0 264.419 3.552 10 0 CHAERO C[C@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1cccc(F)c1 ZINC000042973749 174937212 /nfs/dbraw/zinc/93/72/12/174937212.db2.gz XOHKHMSNNRISMY-UURUTEADSA-N 1 0 265.372 3.809 10 0 CHAERO [NH3+]C[C@@H](Sc1ccc(F)cc1)c1cccc(F)c1 ZINC000042974431 174937699 /nfs/dbraw/zinc/93/76/99/174937699.db2.gz OEQFUMZIUFZIEC-CQSZACIVSA-N 1 0 265.328 3.757 10 0 CHAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccc(F)cc1Cl ZINC000043040367 174953153 /nfs/dbraw/zinc/95/31/53/174953153.db2.gz XGIHDMUZNXYCBB-HNNXBMFYSA-N 1 0 279.742 3.866 10 0 CHAERO CC[C@H]([NH3+])[C@H](OCC(C)C)c1ccccc1Cl ZINC000043087497 174963451 /nfs/dbraw/zinc/96/34/51/174963451.db2.gz RVGZNTPNMUTZOH-UONOGXRCSA-N 1 0 255.789 3.791 10 0 CHAERO COc1ccccc1[C@@H](C[NH3+])Sc1cccc(C)c1 ZINC000043101941 174967999 /nfs/dbraw/zinc/96/79/99/174967999.db2.gz TXVVETZDHIIYPY-MRXNPFEDSA-N 1 0 273.401 3.796 10 0 CHAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)Cc1ccsc1 ZINC000043103765 174969290 /nfs/dbraw/zinc/96/92/90/174969290.db2.gz ITBYCYWGOHUYQD-TZMCWYRMSA-N 1 0 280.462 3.720 10 0 CHAERO CC[C@@H]([NH3+])[C@H](OC1CCCCC1)c1cccs1 ZINC000043107526 174973162 /nfs/dbraw/zinc/97/31/62/174973162.db2.gz KJDLGBRICNVACZ-OCCSQVGLSA-N 1 0 253.411 3.876 10 0 CHAERO Cc1cc(C)cc(O[C@H](c2cccs2)[C@@H](C)[NH3+])c1 ZINC000043108383 174973610 /nfs/dbraw/zinc/97/36/10/174973610.db2.gz FEGHUPUDMJIBOD-DOMZBBRYSA-N 1 0 261.390 3.832 10 0 CHAERO Cc1ccc([C@@H](O)C[N@@H+](C)C2CCCCC2)cc1C ZINC000043501823 175058764 /nfs/dbraw/zinc/05/87/64/175058764.db2.gz FQSZLWLQUKFRFY-KRWDZBQOSA-N 1 0 261.409 3.601 10 0 CHAERO CCc1ccc([C@H](Cc2cccs2)[NH2+]C)s1 ZINC000043640180 175084110 /nfs/dbraw/zinc/08/41/10/175084110.db2.gz KXNURGLDESBMCO-LBPRGKRZSA-N 1 0 251.420 3.875 10 0 CHAERO CCc1ccc([C@@H](Cc2cccs2)[NH2+]C)s1 ZINC000043640179 175084134 /nfs/dbraw/zinc/08/41/34/175084134.db2.gz KXNURGLDESBMCO-GFCCVEGCSA-N 1 0 251.420 3.875 10 0 CHAERO C[NH2+][C@H]1CCCCC[C@H]1CCCOCC(F)(F)F ZINC000043650729 175085637 /nfs/dbraw/zinc/08/56/37/175085637.db2.gz DVDMKRZPIWKSEP-RYUDHWBXSA-N 1 0 267.335 3.514 10 0 CHAERO CC[C@@H](Cc1cc(Br)cs1)[C@@H](C)[NH2+]C ZINC000043688075 175095662 /nfs/dbraw/zinc/09/56/62/175095662.db2.gz FNVAXVIWGNRADH-BDAKNGLRSA-N 1 0 276.243 3.687 10 0 CHAERO Cc1ccc([C@@H](O)C[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000044120610 175142828 /nfs/dbraw/zinc/14/28/28/175142828.db2.gz QHSSFBQEIYGTJZ-KRWDZBQOSA-N 1 0 261.409 3.601 10 0 CHAERO CCCc1ccc([C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121871 175143175 /nfs/dbraw/zinc/14/31/75/175143175.db2.gz JICXLKONOIVWJB-RLFYNMQTSA-N 1 0 275.436 3.935 10 0 CHAERO CCc1ccc([C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121777 175143266 /nfs/dbraw/zinc/14/32/66/175143266.db2.gz MZZKKHLYXMKTQV-GRDNDAEWSA-N 1 0 261.409 3.545 10 0 CHAERO C[NH2+][C@@H]1CC(C)(C)Oc2cc(OCC(C)C)ccc21 ZINC000044421729 175174161 /nfs/dbraw/zinc/17/41/61/175174161.db2.gz LPCUAHAIJYBDNU-CQSZACIVSA-N 1 0 263.381 3.543 10 0 CHAERO CC(C)c1ccc(NC(=O)C2(C[NH3+])CCCCC2)cc1 ZINC000044762185 175246283 /nfs/dbraw/zinc/24/62/83/175246283.db2.gz FCEMEEZQUVRLIS-UHFFFAOYSA-N 1 0 274.408 3.658 10 0 CHAERO [NH3+]Cc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000044880045 175269638 /nfs/dbraw/zinc/26/96/38/175269638.db2.gz OLRGFBFEMAXBFN-UHFFFAOYSA-N 1 0 276.339 3.551 10 0 CHAERO CC(C)c1ccc(Cn2c(N)[nH+]c3ccccc32)cc1 ZINC000045046357 175296405 /nfs/dbraw/zinc/29/64/05/175296405.db2.gz AJVIOEZHPVOIEP-UHFFFAOYSA-N 1 0 265.360 3.790 10 0 CHAERO Clc1ccc(-c2csc(C[NH2+]C3CC3)n2)cc1 ZINC000045206550 175328260 /nfs/dbraw/zinc/32/82/60/175328260.db2.gz JRLOUKRITWJUMO-UHFFFAOYSA-N 1 0 264.781 3.716 10 0 CHAERO CCC[NH2+]CC(C)(C)Oc1ccccc1OCCC ZINC000051957788 175528644 /nfs/dbraw/zinc/52/86/44/175528644.db2.gz TYHGOPSOUZOQRB-UHFFFAOYSA-N 1 0 265.397 3.632 10 0 CHAERO CCC1(CC)CSC(NCc2ccccc2F)=[NH+]1 ZINC000053046019 175542120 /nfs/dbraw/zinc/54/21/20/175542120.db2.gz OVENPRADYARSIA-UHFFFAOYSA-N 1 0 266.385 3.577 10 0 CHAERO NC(=[NH2+])c1ccc(Oc2cc(F)ccc2F)cc1Cl ZINC000071167860 176049642 /nfs/dbraw/zinc/04/96/42/176049642.db2.gz NWAXMVHCOZNKHJ-UHFFFAOYSA-N 1 0 282.677 3.695 10 0 CHAERO COc1ccc(C2CC([NH2+][C@H]3CCC[C@@H]3C)C2)cc1 ZINC000071206343 176079957 /nfs/dbraw/zinc/07/99/57/176079957.db2.gz DVQKIYMCRFUJHZ-AIDBPNLOSA-N 1 0 259.393 3.719 10 0 CHAERO C[C@H](c1ccccc1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268590 176102035 /nfs/dbraw/zinc/10/20/35/176102035.db2.gz LEARAXKCCOSOTD-LLVKDONJSA-N 1 0 254.308 3.728 10 0 CHAERO CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314687 176120989 /nfs/dbraw/zinc/12/09/89/176120989.db2.gz SGUIUQVQYZSHSL-OWCLPIDISA-N 1 0 266.473 3.665 10 0 CHAERO CC(C)Oc1ccc([C@@H](CC[NH3+])C(C)C)cc1F ZINC000071574907 176202007 /nfs/dbraw/zinc/20/20/07/176202007.db2.gz JWGLZWNDMGEJHR-ZDUSSCGKSA-N 1 0 253.361 3.701 10 0 CHAERO Cc1ccc(C(C)(C)C)cc1[C@@H](OCC[NH3+])C1CC1 ZINC000071587979 176215679 /nfs/dbraw/zinc/21/56/79/176215679.db2.gz KPEAIXFSZIYZIJ-INIZCTEOSA-N 1 0 261.409 3.719 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2c1cccc(C)c1 ZINC000071630429 176236081 /nfs/dbraw/zinc/23/60/81/176236081.db2.gz LQXJMPZLZVULDN-SFHVURJKSA-N 1 0 279.383 3.728 10 0 CHAERO Cc1ccc([C@@H](CC[NH3+])COc2ccccc2)cc1 ZINC000076660491 177048842 /nfs/dbraw/zinc/04/88/42/177048842.db2.gz LRGLXEKCBYGFOI-INIZCTEOSA-N 1 0 255.361 3.506 10 0 CHAERO CC(C)(C)[C@H](C[NH3+])c1ccccc1Br ZINC000076661557 177049085 /nfs/dbraw/zinc/04/90/85/177049085.db2.gz LEORONMYOKEITH-SNVBAGLBSA-N 1 0 256.187 3.538 10 0 CHAERO CCCCN(CC[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000076671789 177054224 /nfs/dbraw/zinc/05/42/24/177054224.db2.gz PWFVZNVIDNXULM-UHFFFAOYSA-N 1 0 261.196 3.559 10 0 CHAERO CCc1ccc(OC)c([C@H](CC[NH3+])C2CCCC2)c1 ZINC000076673331 177054571 /nfs/dbraw/zinc/05/45/71/177054571.db2.gz BZXLWBSJMPDESJ-OAHLLOKOSA-N 1 0 261.409 3.880 10 0 CHAERO [NH3+]CC[C@H](CCc1ccco1)c1ccc(F)c(F)c1 ZINC000076680811 177058360 /nfs/dbraw/zinc/05/83/60/177058360.db2.gz LRRZCEOJSGAIBW-NSHDSACASA-N 1 0 265.303 3.623 10 0 CHAERO CCSc1ccc([C@H](CC[NH3+])c2ccncc2)cc1 ZINC000076715416 177068447 /nfs/dbraw/zinc/06/84/47/177068447.db2.gz VKVRWWCEEYYDQT-INIZCTEOSA-N 1 0 272.417 3.674 10 0 CHAERO Brc1ccc(CC[C@H]2CCCCC[NH2+]2)cc1 ZINC000076727478 177071658 /nfs/dbraw/zinc/07/16/58/177071658.db2.gz IXJHVDBQUNLORE-CQSZACIVSA-N 1 0 282.225 3.914 10 0 CHAERO CC[NH+](CC)CC[C@@H](O)c1ccc2ccccc2c1 ZINC000076732266 177073501 /nfs/dbraw/zinc/07/35/01/177073501.db2.gz VRHNVVBKJJBWNN-QGZVFWFLSA-N 1 0 257.377 3.605 10 0 CHAERO CCC[NH2+]CCc1csc(C2CCCCC2)n1 ZINC000076783441 177091280 /nfs/dbraw/zinc/09/12/80/177091280.db2.gz GKQAUMBVPUPGDA-UHFFFAOYSA-N 1 0 252.427 3.733 10 0 CHAERO CCN(c1nc([C@H](C)[NH2+]C)cs1)c1ccccc1 ZINC000076787610 177094818 /nfs/dbraw/zinc/09/48/18/177094818.db2.gz KPNCDFVQOYUKLD-NSHDSACASA-N 1 0 261.394 3.582 10 0 CHAERO COCc1c(C[NH2+]C(C)C)oc2cc(C)cc(C)c21 ZINC000077071478 177187058 /nfs/dbraw/zinc/18/70/58/177187058.db2.gz FRLWAAACOUFCQI-UHFFFAOYSA-N 1 0 261.365 3.694 10 0 CHAERO COc1ccc([C@@H]([NH3+])c2c(C)oc(C)c2C)cc1Cl ZINC000077088678 177212225 /nfs/dbraw/zinc/21/22/25/177212225.db2.gz HMMVCOMHCZIBGC-OAHLLOKOSA-N 1 0 279.767 3.915 10 0 CHAERO COc1ccc(C)cc1[C@H]([NH3+])c1c(C)oc(C)c1C ZINC000077088680 177212410 /nfs/dbraw/zinc/21/24/10/177212410.db2.gz PRDMEKYGUVNLCZ-INIZCTEOSA-N 1 0 259.349 3.570 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c(C)o1 ZINC000037167324 260071809 /nfs/dbraw/zinc/07/18/09/260071809.db2.gz IKVMESVNXYJLGB-ZFWWWQNUSA-N 1 0 266.429 3.523 10 0 CHAERO Cc1ccc([C@](C)(O)CNc2cc[nH+]c3c(C)cccc23)o1 ZINC000301648688 227626146 /nfs/dbraw/zinc/62/61/46/227626146.db2.gz FFBXKVANHMWYAF-GOSISDBHSA-N 1 0 296.370 3.764 10 0 CHAERO Cc1cccc2c(NCCc3ccc(CO)cc3)cc[nH+]c12 ZINC000302020136 227760146 /nfs/dbraw/zinc/76/01/46/227760146.db2.gz NMBCGLKFXSDYCI-UHFFFAOYSA-N 1 0 292.382 3.690 10 0 CHAERO CCCn1cc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)cn1 ZINC000088766000 260001694 /nfs/dbraw/zinc/00/16/94/260001694.db2.gz FRRUKCFVXNVSOH-ZDUSSCGKSA-N 1 0 275.371 3.591 10 0 CHAERO COc1ccsc1[C@H](C)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000186228095 260043381 /nfs/dbraw/zinc/04/33/81/260043381.db2.gz YPZDXXIKEVHFCW-UONOGXRCSA-N 1 0 296.480 3.528 10 0 CHAERO COc1ccccc1C1CC([NH2+]C2CCCCC2)C1 ZINC000037506675 260113502 /nfs/dbraw/zinc/11/35/02/260113502.db2.gz ZLTBZHQLGRIPPL-UHFFFAOYSA-N 1 0 259.393 3.864 10 0 CHAERO Cc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1C ZINC000070070337 260151310 /nfs/dbraw/zinc/15/13/10/260151310.db2.gz ONWALQLADKNCPS-MRXNPFEDSA-N 1 0 253.345 3.527 10 0 CHAERO COc1ccccc1C1CC([NH2+][C@@H](C)CC2CC2)C1 ZINC000070100533 260152262 /nfs/dbraw/zinc/15/22/62/260152262.db2.gz CNRQXDCURZGZDS-GRTSSRMGSA-N 1 0 259.393 3.719 10 0 CHAERO CC[C@H]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)C1 ZINC000078005399 260167861 /nfs/dbraw/zinc/16/78/61/260167861.db2.gz OHFBAEFTXBLBBG-LSDHHAIUSA-N 1 0 271.408 3.513 10 0 CHAERO CCc1cc(N[C@@H](C)c2sc(C)nc2C)nc(C)n1 ZINC000088760216 260234302 /nfs/dbraw/zinc/23/43/02/260234302.db2.gz UFSKXOOGSGKSHI-VIFPVBQESA-N 1 0 276.409 3.594 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]Cc2cncn2C(C)C)c(C)c1 ZINC000090208552 260239226 /nfs/dbraw/zinc/23/92/26/260239226.db2.gz HXHSDZJCHTZDOV-OAHLLOKOSA-N 1 0 271.408 3.932 10 0 CHAERO O[C@]12CCCC[C@H]1C[N@H+](CCC1CCCCC1)CC2 ZINC000311363195 260243487 /nfs/dbraw/zinc/24/34/87/260243487.db2.gz CDHNYLMWKNQVRY-IRXDYDNUSA-N 1 0 265.441 3.584 10 0 CHAERO CCC1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000311551223 260253168 /nfs/dbraw/zinc/25/31/68/260253168.db2.gz ASJBEXIGVDNXFY-TUUUFIMRSA-N 1 0 279.346 3.655 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000091011413 260264596 /nfs/dbraw/zinc/26/45/96/260264596.db2.gz IKSSTNZOZXZJGW-CYBMUJFWSA-N 1 0 290.382 3.897 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000091024546 260265071 /nfs/dbraw/zinc/26/50/71/260265071.db2.gz XWVAXHZSZXJNJN-LBPRGKRZSA-N 1 0 276.355 3.507 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000091024598 260265079 /nfs/dbraw/zinc/26/50/79/260265079.db2.gz CLQNKAWZTWOCRX-LBPRGKRZSA-N 1 0 294.345 3.960 10 0 CHAERO CCn1cccc1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000091024599 260265251 /nfs/dbraw/zinc/26/52/51/260265251.db2.gz CLQNKAWZTWOCRX-GFCCVEGCSA-N 1 0 294.345 3.960 10 0 CHAERO CCn1cccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000091127718 260265297 /nfs/dbraw/zinc/26/52/97/260265297.db2.gz ZXLASCWSFVKOKP-UHFFFAOYSA-N 1 0 282.309 3.817 10 0 CHAERO CCn1cccc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000091022924 260265350 /nfs/dbraw/zinc/26/53/50/260265350.db2.gz MUXMKUWJISMNHI-KRWDZBQOSA-N 1 0 254.377 3.675 10 0 CHAERO CC1CCC(C[NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000092300928 260268851 /nfs/dbraw/zinc/26/88/51/260268851.db2.gz IWFAZABMUIJYKY-NRXISQOPSA-N 1 0 259.393 3.579 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C[C@H](C)CCO)c1ccccc1 ZINC000093248990 260273380 /nfs/dbraw/zinc/27/33/80/260273380.db2.gz TUYRUXJHISYQBL-BEFAXECRSA-N 1 0 283.415 3.693 10 0 CHAERO CCC1(C)CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000130552684 260398739 /nfs/dbraw/zinc/39/87/39/260398739.db2.gz QNFCRVYWYLFEEO-UHFFFAOYSA-N 1 0 258.409 3.667 10 0 CHAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1CCCC1)CC2 ZINC000092837484 261061191 /nfs/dbraw/zinc/06/11/91/261061191.db2.gz RNSFAFCJGYDNAR-PXAZEXFGSA-N 1 0 259.393 3.851 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C2)c1C ZINC000300305660 261191821 /nfs/dbraw/zinc/19/18/21/261191821.db2.gz CXVNLWLGFHTRCE-SLEUVZQESA-N 1 0 263.429 3.607 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000300415442 261199231 /nfs/dbraw/zinc/19/92/31/261199231.db2.gz VYQJTAIXKAJHSN-YUELXQCFSA-N 1 0 277.408 3.933 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)c2ccccc21 ZINC000300413233 261199518 /nfs/dbraw/zinc/19/95/18/261199518.db2.gz ZKJKIRXRGSASJJ-KNCCTNLNSA-N 1 0 273.420 3.766 10 0 CHAERO Cc1cnn([C@H]2CCC[N@H+](CCCc3ccccc3C)C2)c1 ZINC000175906447 261251800 /nfs/dbraw/zinc/25/18/00/261251800.db2.gz HGUYQSCNSLWXEB-IBGZPJMESA-N 1 0 297.446 3.770 10 0 CHAERO CCc1ccc([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)o1 ZINC000163874053 261332624 /nfs/dbraw/zinc/33/26/24/261332624.db2.gz OIVMDLMGKIAXEU-RHSMWYFYSA-N 1 0 286.419 3.796 10 0 CHAERO CC1(C)Cc2cc(C[NH2+][C@H]3COc4ccccc43)ccc2O1 ZINC000105468061 261359593 /nfs/dbraw/zinc/35/95/93/261359593.db2.gz WDCOECVLLRZTID-INIZCTEOSA-N 1 0 295.382 3.623 10 0 CHAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCc2cccnc2)o1 ZINC000172868897 261513938 /nfs/dbraw/zinc/51/39/38/261513938.db2.gz DIMVODUMLJGRIP-MRXNPFEDSA-N 1 0 270.376 3.753 10 0 CHAERO Cc1cccc([C@H](C)[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000173605276 261539660 /nfs/dbraw/zinc/53/96/60/261539660.db2.gz PAVOPRSHVIHSRT-HNNXBMFYSA-N 1 0 283.419 3.669 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CCCC(C)(F)F)c1C ZINC000390246429 262164196 /nfs/dbraw/zinc/16/41/96/262164196.db2.gz QRMPWVONTIEQAA-JTQLQIEISA-N 1 0 273.371 3.606 10 0 CHAERO [NH3+]CCC[C@@H](Nc1ccc(Cl)cn1)c1ccccc1 ZINC000312080415 262347762 /nfs/dbraw/zinc/34/77/62/262347762.db2.gz SRJPCZPNJUYWJW-CQSZACIVSA-N 1 0 275.783 3.627 10 0 CHAERO Cc1cnn(CC[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)c1 ZINC000187313867 262399628 /nfs/dbraw/zinc/39/96/28/262399628.db2.gz OQBCSWRYLYKIPA-GOSISDBHSA-N 1 0 283.419 3.631 10 0 CHAERO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000289746870 263111795 /nfs/dbraw/zinc/11/17/95/263111795.db2.gz FEOZLKUSMHWQLV-CYBMUJFWSA-N 1 0 271.408 3.866 10 0 CHAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000094826918 265260586 /nfs/dbraw/zinc/26/05/86/265260586.db2.gz IOUARYFPYTXHGQ-MLGOLLRUSA-N 1 0 284.394 3.592 10 0 CHAERO CCn1cccc1C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000094952628 265277410 /nfs/dbraw/zinc/27/74/10/265277410.db2.gz JSRBCXDZUWHVKR-CYBMUJFWSA-N 1 0 260.356 3.806 10 0 CHAERO Fc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116293011 267137533 /nfs/dbraw/zinc/13/75/33/267137533.db2.gz OUHRBDIVNJAKLC-HNNXBMFYSA-N 1 0 275.323 3.635 10 0 CHAERO Fc1cccc(OCC[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116292235 267137562 /nfs/dbraw/zinc/13/75/62/267137562.db2.gz CLYWRPCTWXUWGH-HNNXBMFYSA-N 1 0 275.323 3.635 10 0 CHAERO Fc1ccc(N[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000040671182 328015297 /nfs/dbraw/zinc/01/52/97/328015297.db2.gz MHEHQCMVAJIAOC-SFHVURJKSA-N 1 0 284.378 3.555 10 0 CHAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](CO)CC(C)C ZINC000040775723 328020358 /nfs/dbraw/zinc/02/03/58/328020358.db2.gz PLCUGKCHISNODW-KBPBESRZSA-N 1 0 275.392 3.799 10 0 CHAERO Fc1ccc(CC[N@@H+]2CCC[C@H]2c2ccco2)cc1F ZINC000152094352 328065181 /nfs/dbraw/zinc/06/51/81/328065181.db2.gz XKLFUPJARBMVMN-HNNXBMFYSA-N 1 0 277.314 3.937 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCOCC(F)(F)F ZINC000070167211 328441841 /nfs/dbraw/zinc/44/18/41/328441841.db2.gz FLHPINGEPWGCPP-FRRDWIJNSA-N 1 0 281.362 3.616 10 0 CHAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036959788 326878424 /nfs/dbraw/zinc/87/84/24/326878424.db2.gz GZCRXJSIKXJXKA-KBPBESRZSA-N 1 0 290.451 3.549 10 0 CHAERO FC(F)(F)[C@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000255624069 327000118 /nfs/dbraw/zinc/00/01/18/327000118.db2.gz TVYQYXFWWBFECN-VCDPDADVSA-N 1 0 269.310 3.974 10 0 CHAERO CC[C@H]([NH2+]Cc1cnn(C)c1C)c1ccc(Cl)cc1 ZINC000093649573 327132698 /nfs/dbraw/zinc/13/26/98/327132698.db2.gz KSMCRPWLBYRKJB-HNNXBMFYSA-N 1 0 277.799 3.623 10 0 CHAERO C[NH2+]Cc1ccccc1NC(=O)c1csc2ccccc12 ZINC000042891990 327242473 /nfs/dbraw/zinc/24/24/73/327242473.db2.gz JOBNDYMNJVCJKG-UHFFFAOYSA-N 1 0 296.395 3.873 10 0 CHAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000052271899 328641862 /nfs/dbraw/zinc/64/18/62/328641862.db2.gz VXCMVGUCLXMBPG-JLSDUUJJSA-N 1 0 251.373 3.968 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(Br)c1 ZINC000052271112 328641995 /nfs/dbraw/zinc/64/19/95/328641995.db2.gz NXGFSUVABBBDSO-AUTRQRHGSA-N 1 0 254.171 3.508 10 0 CHAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000300412767 332814567 /nfs/dbraw/zinc/81/45/67/332814567.db2.gz VRSLRAQHTQFWSX-ZOBUZTSGSA-N 1 0 261.409 3.505 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000300413609 332814649 /nfs/dbraw/zinc/81/46/49/332814649.db2.gz DKODTWZHVACREC-YUELXQCFSA-N 1 0 275.392 3.687 10 0 CHAERO CC[C@H]([NH2+]Cc1ccc(Br)cc1)C(C)C ZINC000042306729 328764850 /nfs/dbraw/zinc/76/48/50/328764850.db2.gz RINPDWJYPWWDFP-ZDUSSCGKSA-N 1 0 270.214 3.973 10 0 CHAERO C=Cn1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2)cn1 ZINC000194178873 329066397 /nfs/dbraw/zinc/06/63/97/329066397.db2.gz AHCIXGCTPYAMJZ-CQSZACIVSA-N 1 0 277.371 3.988 10 0 CHAERO COCC(C)(C)NCc1ncc(-c2ccccc2Cl)o1 ZINC000173639738 329150291 /nfs/dbraw/zinc/15/02/91/329150291.db2.gz KBHXRXLYIAIERP-UHFFFAOYSA-N 1 0 294.782 3.510 10 0 CHAERO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173656188 329150301 /nfs/dbraw/zinc/15/03/01/329150301.db2.gz ZAUGASWBRCFINN-CRAIPNDOSA-N 1 0 283.419 3.578 10 0 CHAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178543995 329198343 /nfs/dbraw/zinc/19/83/43/329198343.db2.gz XPYDLJNCGHJCSA-INIZCTEOSA-N 1 0 295.386 3.602 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@H]1CCCO1 ZINC000180791873 329223171 /nfs/dbraw/zinc/22/31/71/329223171.db2.gz PBDBXPVVIIEXJP-XJKSGUPXSA-N 1 0 287.359 3.729 10 0 CHAERO Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCN(C)c3ccccc32)c1 ZINC000184439779 329257981 /nfs/dbraw/zinc/25/79/81/329257981.db2.gz WCRHMSXXYZZKBO-CVEARBPZSA-N 1 0 295.430 3.664 10 0 CHAERO Cc1csc([C@H]2CCC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000184671249 329261688 /nfs/dbraw/zinc/26/16/88/329261688.db2.gz GFJLXYAGIIIYQS-KBPBESRZSA-N 1 0 294.464 3.589 10 0 CHAERO Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)[nH]1 ZINC000392351611 329274457 /nfs/dbraw/zinc/27/44/57/329274457.db2.gz PXKDPDAPANPWIH-NWDGAFQWSA-N 1 0 272.396 3.648 10 0 CHAERO ClC(Cl)(Cl)CC[N@@H+]1CCCC2(CC2)C1 ZINC000186977953 329352537 /nfs/dbraw/zinc/35/25/37/329352537.db2.gz AXHRPDQWJTWHRH-UHFFFAOYSA-N 1 0 256.604 3.623 10 0 CHAERO Fc1ccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)cn1 ZINC000189165777 329376629 /nfs/dbraw/zinc/37/66/29/329376629.db2.gz UUXBQANCJQZNJB-UHFFFAOYSA-N 1 0 293.345 3.573 10 0 CHAERO C[C@H](O)CC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000085982603 329396676 /nfs/dbraw/zinc/39/66/76/329396676.db2.gz RZXNTFKNDLATGW-YUMQZZPRSA-N 1 0 280.170 3.554 10 0 CHAERO CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000398486209 329443850 /nfs/dbraw/zinc/44/38/50/329443850.db2.gz GPMLVHUBCUSJIH-RRFJBIMHSA-N 1 0 255.446 3.732 10 0 CHAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000245771068 329747190 /nfs/dbraw/zinc/74/71/90/329747190.db2.gz MKKCVFNXIAYVLY-QMCVQRASSA-N 1 0 259.393 3.603 10 0 CHAERO C[C@H](CCn1cccn1)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000245927442 329759780 /nfs/dbraw/zinc/75/97/80/329759780.db2.gz HTVSTJUBVVNKMO-DAYGRLMNSA-N 1 0 283.419 3.890 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2cccc(C3CC3)c2)C[C@@H](C)O1 ZINC000421373754 329816115 /nfs/dbraw/zinc/81/61/15/329816115.db2.gz CFKPTRGSOKENNN-ZIAGYGMSSA-N 1 0 273.420 3.857 10 0 CHAERO C[C@H]1CCCN(Cc2cccc(Cl)c2Cl)[C@@H]1C[NH3+] ZINC000070175524 329855432 /nfs/dbraw/zinc/85/54/32/329855432.db2.gz FARPCYNHLWPDOL-GXFFZTMASA-N 1 0 287.234 3.553 10 0 CHAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1OC(F)F ZINC000246880808 329871997 /nfs/dbraw/zinc/87/19/97/329871997.db2.gz CZTMQIBFDWWILS-USWWRNFRSA-N 1 0 255.308 3.737 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc2ccccc2n1 ZINC000247019528 329874524 /nfs/dbraw/zinc/87/45/24/329874524.db2.gz KSTHWBPKTLLVFD-JECZMYCTSA-N 1 0 296.414 3.843 10 0 CHAERO c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000248821331 329899817 /nfs/dbraw/zinc/89/98/17/329899817.db2.gz LJSGJOXRYCTPKD-CWRNSKLLSA-N 1 0 289.444 3.771 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1Cl ZINC000248908315 329902218 /nfs/dbraw/zinc/90/22/18/329902218.db2.gz VCAGCSJIUGDCKC-DETPVDSQSA-N 1 0 279.811 3.948 10 0 CHAERO CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262236547 330002284 /nfs/dbraw/zinc/00/22/84/330002284.db2.gz QZHUEUPJUNJHIZ-ZDUSSCGKSA-N 1 0 288.435 3.727 10 0 CHAERO CC1(C)[C@H]([NH2+]CC(C2CCC2)C2CCC2)[C@@H]2CCO[C@H]21 ZINC000527927069 330296716 /nfs/dbraw/zinc/29/67/16/330296716.db2.gz RDKGYULBBWDESB-USXIJHARSA-N 1 0 277.452 3.606 10 0 CHAERO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000044690305 330332222 /nfs/dbraw/zinc/33/22/22/330332222.db2.gz RNQVEIJBRJNWKW-CABCVRRESA-N 1 0 279.424 3.797 10 0 CHAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(C(C)C)cc2)c1 ZINC000106402689 330337592 /nfs/dbraw/zinc/33/75/92/330337592.db2.gz LMYKYJWALSOCAF-OAHLLOKOSA-N 1 0 271.408 3.666 10 0 CHAERO CC[NH+](CC)C[C@H](C)N[C@H](c1ccco1)c1ccccc1 ZINC000045690623 330348583 /nfs/dbraw/zinc/34/85/83/330348583.db2.gz VDALNEWANOHHNH-YJBOKZPZSA-N 1 0 286.419 3.689 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc2ccccc2c1 ZINC000119816802 330380050 /nfs/dbraw/zinc/38/00/50/330380050.db2.gz GSRWLPVCRCZARA-OGHNNQOOSA-N 1 0 255.361 3.668 10 0 CHAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1Br ZINC000536953081 330382744 /nfs/dbraw/zinc/38/27/44/330382744.db2.gz GZWCMPGJDQPCLR-PWSUYJOCSA-N 1 0 268.198 3.552 10 0 CHAERO CCC[C@H](NC[C@H]1CCC[N@@H+]1CC(C)C)c1ccccn1 ZINC000090773239 330395820 /nfs/dbraw/zinc/39/58/20/330395820.db2.gz UYNIPSMFBLQPSJ-SJORKVTESA-N 1 0 289.467 3.633 10 0 CHAERO CCn1cccc1C[NH2+]Cc1ccccc1Br ZINC000091127464 330398940 /nfs/dbraw/zinc/39/89/40/330398940.db2.gz CWCOXCASUNUIKY-UHFFFAOYSA-N 1 0 293.208 3.560 10 0 CHAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000449299471 330912952 /nfs/dbraw/zinc/91/29/52/330912952.db2.gz AUEBYSMXQDSMSZ-XSEXMBABSA-N 1 0 253.430 3.604 10 0 CHAERO CCCCOC[C@@H](O)C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000195211144 331158593 /nfs/dbraw/zinc/15/85/93/331158593.db2.gz WZIFASYDAGESCZ-HOTGVXAUSA-N 1 0 299.842 3.558 10 0 CHAERO C[C@H]1CC(C[NH2+]CCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000459545971 331287046 /nfs/dbraw/zinc/28/70/46/331287046.db2.gz TXNVTMIYMYTTKN-STQMWFEESA-N 1 0 281.827 3.676 10 0 CHAERO COc1ccccc1C1CC([NH2+][C@H](C)C2CCC2)C1 ZINC000165265592 331305976 /nfs/dbraw/zinc/30/59/76/331305976.db2.gz SAPQBLXKSVRKKX-LRVUVFPRSA-N 1 0 259.393 3.719 10 0 CHAERO CC[C@@H](O)CC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000166130947 331306648 /nfs/dbraw/zinc/30/66/48/331306648.db2.gz JPCCSPIFYSUVLV-IEBWSBKVSA-N 1 0 283.415 3.835 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000466408741 331395402 /nfs/dbraw/zinc/39/54/02/331395402.db2.gz IDKDHFSDYPGQNO-XVIXHAIJSA-N 1 0 293.373 3.901 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+]Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000466408751 331395546 /nfs/dbraw/zinc/39/55/46/331395546.db2.gz IFRLCBXWQQDKIM-ZSBIGDGJSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@H]1CC(C[NH2+]Cc2cnc(C(C)(C)C)s2)C[C@H](C)O1 ZINC000466410938 331395708 /nfs/dbraw/zinc/39/57/08/331395708.db2.gz VQLFEVJNYVRXMV-RYUDHWBXSA-N 1 0 296.480 3.734 10 0 CHAERO Cc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000466422875 331396349 /nfs/dbraw/zinc/39/63/49/331396349.db2.gz AVUUULRRNADVEU-HUUCEWRRSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C[C@@H](C)O1 ZINC000466425422 331396586 /nfs/dbraw/zinc/39/65/86/331396586.db2.gz MXZBEYOMBRUXEQ-KQTLUZQSSA-N 1 0 267.457 3.994 10 0 CHAERO C[C@@H](CCC1CC1)[NH2+][C@@H](C)COCc1ccccc1 ZINC000469795279 331459844 /nfs/dbraw/zinc/45/98/44/331459844.db2.gz BDVNLHUJKRMPTD-GJZGRUSLSA-N 1 0 261.409 3.760 10 0 CHAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000494606442 332479885 /nfs/dbraw/zinc/47/98/85/332479885.db2.gz WUCCGSUORNRJSY-VXLLPVPCSA-N 1 0 259.393 3.512 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000503550574 332691820 /nfs/dbraw/zinc/69/18/20/332691820.db2.gz HJWDVESZNDWDFP-KKUMJFAQSA-N 1 0 261.409 3.849 10 0 CHAERO C[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000400501011 332712186 /nfs/dbraw/zinc/71/21/86/332712186.db2.gz INFVRTONTXUDBH-GARJFASQSA-N 1 0 287.234 3.642 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCc1ccc(Cl)cc1)CC2 ZINC000308450956 333031617 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COCCC1(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000222326436 333190547 /nfs/dbraw/zinc/19/05/47/333190547.db2.gz CLLVWWMXMSRLCM-HUUCEWRRSA-N 1 0 267.457 3.998 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)C2)c1C ZINC000222669587 333198823 /nfs/dbraw/zinc/19/88/23/333198823.db2.gz WNTGMIMKPGBTBX-DVOMOZLQSA-N 1 0 277.456 3.997 10 0 CHAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C(C)C)CCS2 ZINC000191488514 333220386 /nfs/dbraw/zinc/22/03/86/333220386.db2.gz RTJKZNNZHVCXOI-BXUZGUMPSA-N 1 0 265.422 3.866 10 0 CHAERO Cc1csc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000195337220 333250714 /nfs/dbraw/zinc/25/07/14/333250714.db2.gz IBGBFSJFEKTLAE-CQSZACIVSA-N 1 0 290.407 3.970 10 0 CHAERO OCC[C@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000227575105 333286122 /nfs/dbraw/zinc/28/61/22/333286122.db2.gz KLPCIQVYAAIZRL-LLVKDONJSA-N 1 0 295.835 3.759 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)c1C ZINC000230405518 333317421 /nfs/dbraw/zinc/31/74/21/333317421.db2.gz CXVNLWLGFHTRCE-TYNCELHUSA-N 1 0 263.429 3.607 10 0 CHAERO CC(C)[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000232751981 333342095 /nfs/dbraw/zinc/34/20/95/333342095.db2.gz YLWAXMGJGNKMJW-BZSNNMDCSA-N 1 0 275.436 3.567 10 0 CHAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037007448 333459857 /nfs/dbraw/zinc/45/98/57/333459857.db2.gz INBQNFHAAWRPIF-HEHGZKQESA-N 1 0 290.451 3.535 10 0 CHAERO COc1ccccc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000037195534 333511870 /nfs/dbraw/zinc/51/18/70/333511870.db2.gz VNXXDGUMHDPHHN-CQSZACIVSA-N 1 0 255.361 3.854 10 0 CHAERO CC(C)[C@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000125092476 333563735 /nfs/dbraw/zinc/56/37/35/333563735.db2.gz KSFNMTZFDUTOPE-VIFPVBQESA-N 1 0 263.278 3.979 10 0 CHAERO CC[C@@H](CCO)[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000126729665 333603563 /nfs/dbraw/zinc/60/35/63/333603563.db2.gz SXLOJLRVLCVYEV-SWLSCSKDSA-N 1 0 297.826 3.613 10 0 CHAERO CC[C@@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1CC ZINC000133567725 334045336 /nfs/dbraw/zinc/04/53/36/334045336.db2.gz DIXBAXVBPYTVEO-OLZOCXBDSA-N 1 0 259.397 3.753 10 0 CHAERO COc1ccccc1C[C@H]([NH2+]CCCCSC)C(C)C ZINC000133721271 334051244 /nfs/dbraw/zinc/05/12/44/334051244.db2.gz KWBXHYYERFZKJO-INIZCTEOSA-N 1 0 295.492 3.995 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCC23CCCC3)C[C@@H](C)O1 ZINC000550795180 334228600 /nfs/dbraw/zinc/22/86/00/334228600.db2.gz CGZOIFRCYAZRJB-IIAWOOMASA-N 1 0 265.441 3.893 10 0 CHAERO C[C@H](C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000247224814 334277766 /nfs/dbraw/zinc/27/77/66/334277766.db2.gz VWDAEAPUTSBXBI-PBHICJAKSA-N 1 0 269.392 3.740 10 0 CHAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247955724 334292027 /nfs/dbraw/zinc/29/20/27/334292027.db2.gz FNVHIFXCWJUPDF-XNJGSVPQSA-N 1 0 295.373 3.653 10 0 CHAERO CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000248856681 334319666 /nfs/dbraw/zinc/31/96/66/334319666.db2.gz DOMMMCCWSVEFOW-HZPDHXFCSA-N 1 0 292.471 3.694 10 0 CHAERO C[C@H]([NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000249203635 334330155 /nfs/dbraw/zinc/33/01/55/334330155.db2.gz UZUUGPDJXQMYPW-RANZSIQMSA-N 1 0 273.420 3.654 10 0 CHAERO CCC[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249255921 334330509 /nfs/dbraw/zinc/33/05/09/334330509.db2.gz GLPJRBDCAFTOFI-QWHCGFSZSA-N 1 0 252.427 3.820 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000249292898 334331640 /nfs/dbraw/zinc/33/16/40/334331640.db2.gz AVJPMLHONVZRAY-GMXVVIOVSA-N 1 0 296.480 3.967 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000251537961 334363613 /nfs/dbraw/zinc/36/36/13/334363613.db2.gz OAZQOVGBEZLABP-VBNZEHGJSA-N 1 0 281.355 3.622 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000251597111 334365082 /nfs/dbraw/zinc/36/50/82/334365082.db2.gz COCUVJUCJJNKQE-KJWYOANISA-N 1 0 273.420 3.766 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CC(=O)N(C)c3ccccc32)[C@H](C)C1 ZINC000251726173 334368401 /nfs/dbraw/zinc/36/84/01/334368401.db2.gz CFHAUYKQAREACA-VDERGJSUSA-N 1 0 286.419 3.509 10 0 CHAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000251742371 334368596 /nfs/dbraw/zinc/36/85/96/334368596.db2.gz CVMZVQHZGXAKEF-CSMYWGQOSA-N 1 0 255.336 3.913 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1Cl ZINC000251799853 334369795 /nfs/dbraw/zinc/36/97/95/334369795.db2.gz XZBFUIDGSSKDLF-QCZZGDTMSA-N 1 0 288.218 3.948 10 0 CHAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000252172156 334375711 /nfs/dbraw/zinc/37/57/11/334375711.db2.gz RIUVVRAUIRHVDB-YIDVYQOGSA-N 1 0 253.430 3.604 10 0 CHAERO CC(C)(C)C[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000091524822 334379689 /nfs/dbraw/zinc/37/96/89/334379689.db2.gz JOZKOHUWZKOQMM-AVVWSFFYSA-N 1 0 261.409 3.524 10 0 CHAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc2c(s1)CCCC2 ZINC000252476417 334381173 /nfs/dbraw/zinc/38/11/73/334381173.db2.gz IIJBTSSYKCZKNK-AEGPPILISA-N 1 0 293.476 3.829 10 0 CHAERO CCC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000252885477 334398649 /nfs/dbraw/zinc/39/86/49/334398649.db2.gz XYTVDKKUHTURPV-GVDBMIGSSA-N 1 0 261.409 3.811 10 0 CHAERO CCC[C@@H](C[NH+]1CCC([C@@H](C)O)CC1)c1ccccc1 ZINC000180017103 335541557 /nfs/dbraw/zinc/54/15/57/335541557.db2.gz PEIWUBMIUHLWLP-QAPCUYQASA-N 1 0 275.436 3.663 10 0 CHAERO O[C@@H]1CCCC[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000180236446 335561913 /nfs/dbraw/zinc/56/19/13/335561913.db2.gz SWROWQSDFYVJSS-WOJBJXKFSA-N 1 0 295.426 3.712 10 0 CHAERO CCn1c(C)nnc1C[NH+](CC(C)(C)C)CC(C)(C)C ZINC000182078795 335797920 /nfs/dbraw/zinc/79/79/20/335797920.db2.gz PUBBEMAEVNBOAN-UHFFFAOYSA-N 1 0 280.460 3.501 10 0 CHAERO CC(C)c1nnc(C[NH+](CC(C)(C)C)CC(C)(C)C)n1C ZINC000182082969 335798184 /nfs/dbraw/zinc/79/81/84/335798184.db2.gz TYVPWJYVOSUZOX-UHFFFAOYSA-N 1 0 294.487 3.833 10 0 CHAERO Oc1ccc2c(c1)[C@@H]([NH2+]CCOCc1ccccc1)CCC2 ZINC000361009465 335839186 /nfs/dbraw/zinc/83/91/86/335839186.db2.gz KJIAYERSCUOHDV-IBGZPJMESA-N 1 0 297.398 3.576 10 0 CHAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000380599012 336003216 /nfs/dbraw/zinc/00/32/16/336003216.db2.gz ZCRHVFOXBSJHTH-ILOCAZANSA-N 1 0 279.468 3.828 10 0 CHAERO CC(C)CO[C@@H](C[NH2+]C(C)C)c1ccc(F)cc1 ZINC000050492258 519759759 /nfs/dbraw/zinc/75/97/59/519759759.db2.gz VNUYDDPJQPYAFO-HNNXBMFYSA-N 1 0 253.361 3.537 10 0 CHAERO CC(C)C[C@@H](C)OCc1cc(C[NH2+]C(C)C)co1 ZINC000052603643 519773995 /nfs/dbraw/zinc/77/39/95/519773995.db2.gz ZUHYKZGRJQOEFD-CYBMUJFWSA-N 1 0 253.386 3.729 10 0 CHAERO CCC[NH2+]CCCCCN(C)c1cc(C)cc(C)c1 ZINC000052544676 519912255 /nfs/dbraw/zinc/91/22/55/519912255.db2.gz PDQWELFRSFDPHP-UHFFFAOYSA-N 1 0 262.441 3.910 10 0 CHAERO CC[NH2+]CC1(O[C@@H](C)CC(C)C)CCC(C)CC1 ZINC000050489175 519913537 /nfs/dbraw/zinc/91/35/37/519913537.db2.gz SSIIVCCGFDGMSM-PCKAHOCUSA-N 1 0 255.446 3.996 10 0 CHAERO CC[NH2+]CCCCO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000052625206 519919288 /nfs/dbraw/zinc/91/92/88/519919288.db2.gz FPZFNRUTOKMKAD-ARFHVFGLSA-N 1 0 255.446 3.854 10 0 CHAERO CCC[NH2+]C[C@@H]1C[C@H]1c1cc(Br)ccc1F ZINC000054592249 519926697 /nfs/dbraw/zinc/92/66/97/519926697.db2.gz UFVJKLVTTZVBGM-GXSJLCMTSA-N 1 0 286.188 3.691 10 0 CHAERO CCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(OC(C)C)cc1 ZINC000054593452 519927329 /nfs/dbraw/zinc/92/73/29/519927329.db2.gz HQOWEGKAVOABQY-RDJZCZTQSA-N 1 0 261.409 3.751 10 0 CHAERO CC[NH2+]C[C@H](Cc1cccc(OC)c1)C[C@H](C)CC ZINC000052978409 519973594 /nfs/dbraw/zinc/97/35/94/519973594.db2.gz IPQMVDGUBDWCSV-ZBFHGGJFSA-N 1 0 263.425 3.900 10 0 CHAERO CC[NH2+]Cc1sc(N2CCC(C)CC2)nc1C(C)(C)C ZINC000054995112 520032559 /nfs/dbraw/zinc/03/25/59/520032559.db2.gz NEMJLYRZOJXCBH-UHFFFAOYSA-N 1 0 295.496 3.786 10 0 CHAERO CC[NH2+]Cc1sc(N2CCCC[C@@H]2C)nc1C(C)(C)C ZINC000054995303 520032783 /nfs/dbraw/zinc/03/27/83/520032783.db2.gz LEYYKPSGCKOGPG-LBPRGKRZSA-N 1 0 295.496 3.929 10 0 CHAERO CC[NH2+][C@@H](C)[C@@H](CCCOCC(F)(F)F)C(C)C ZINC000061687069 520072978 /nfs/dbraw/zinc/07/29/78/520072978.db2.gz DQCLZZCIMGOEHQ-RYUDHWBXSA-N 1 0 269.351 3.616 10 0 CHAERO CCCc1nc(C[C@H]([NH2+]CC)c2ccccc2)cs1 ZINC000051966111 521525190 /nfs/dbraw/zinc/52/51/90/521525190.db2.gz GGNMGMVFPRMDQI-HNNXBMFYSA-N 1 0 274.433 3.989 10 0 CHAERO C[NH2+]Cc1oc(COc2ccc(Cl)cc2)cc1C ZINC000052665277 522159893 /nfs/dbraw/zinc/15/98/93/522159893.db2.gz PQRDACJFUDWPSW-UHFFFAOYSA-N 1 0 265.740 3.540 10 0 CHAERO CC[C@@H](C)[NH2+]C[C@@H](C)N(C)Cc1ccccc1Cl ZINC000053498457 522227665 /nfs/dbraw/zinc/22/76/65/522227665.db2.gz HOPDECAOAGOFLT-CHWSQXEVSA-N 1 0 268.832 3.548 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(Sc2nccn2C)c(Cl)c1 ZINC000061699923 522335643 /nfs/dbraw/zinc/33/56/43/522335643.db2.gz GBCLWESMPASJTF-VIFPVBQESA-N 1 0 281.812 3.505 10 0 CHAERO C[NH2+][C@H](C)c1sc(N(C)CC2CCCCC2)nc1C ZINC000054909307 522456896 /nfs/dbraw/zinc/45/68/96/522456896.db2.gz QKYQCSAZNCDSTI-LLVKDONJSA-N 1 0 281.469 3.748 10 0 CHAERO C[NH2+][C@H](C)c1sc(N2CCCCCCC2)nc1C ZINC000054901904 522457253 /nfs/dbraw/zinc/45/72/53/522457253.db2.gz WQZDQRLGQKYPPN-LLVKDONJSA-N 1 0 267.442 3.502 10 0 CHAERO C[NH2+][C@H](Cc1nc(C)cs1)c1cc(C)ccc1C ZINC000055268042 522475148 /nfs/dbraw/zinc/47/51/48/522475148.db2.gz NAIYLQJXKJKSJO-CQSZACIVSA-N 1 0 260.406 3.572 10 0 CHAERO C[C@@H]1CC(C[NH2+][C@@H]2CCC23CCCC3)C[C@@H](C)O1 ZINC000343621669 534147757 /nfs/dbraw/zinc/14/77/57/534147757.db2.gz UPPVSKSSPYXRAK-UMVBOHGHSA-N 1 0 251.414 3.502 10 0 CHAERO CC(C)(C)[NH2+]CC(C)(C)Cc1cccc(F)c1F ZINC000054638469 518753039 /nfs/dbraw/zinc/75/30/39/518753039.db2.gz QIGTWFRGKQTEDH-UHFFFAOYSA-N 1 0 255.352 3.922 10 0 CHAERO CC(C)(C)[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000055029613 518761404 /nfs/dbraw/zinc/76/14/04/518761404.db2.gz YFJFLYWDMQQOLQ-KRWDZBQOSA-N 1 0 269.388 3.775 10 0 CHAERO CC(C)(C)[NH2+]C[C@H]1C[C@@]1(C)c1ccc(F)c(F)c1 ZINC000054597198 518762369 /nfs/dbraw/zinc/76/23/69/518762369.db2.gz IXVUKJMOPVYUFO-ABAIWWIYSA-N 1 0 253.336 3.631 10 0 CHAERO CC(C)(C)[C@H]1CCCC[C@@]1([NH3+])c1cncc(F)c1 ZINC000049575974 518973337 /nfs/dbraw/zinc/97/33/37/518973337.db2.gz ATTGCTYZQGASFT-UKRRQHHQSA-N 1 0 250.361 3.611 10 0 CHAERO CC(C)C[C@H]1[NH2+]CC[C@H]1c1cccc(OC(C)C)c1 ZINC000054929175 519420058 /nfs/dbraw/zinc/42/00/58/519420058.db2.gz KFOCBSIYOWDCLY-DLBZAZTESA-N 1 0 261.409 3.965 10 0 CHAERO CC(C)[NH2+]C[C@@H](Oc1ccccc1Cl)C(C)C ZINC000052664450 519723146 /nfs/dbraw/zinc/72/31/46/519723146.db2.gz KDHUWJXNPCXWNK-CQSZACIVSA-N 1 0 255.789 3.741 10 0 CHAERO CC(C)[NH2+]C[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052966347 519724780 /nfs/dbraw/zinc/72/47/80/519724780.db2.gz YKFHHISYMBFOGQ-LLVKDONJSA-N 1 0 259.315 3.882 10 0 CHAERO CC(C)[NH2+]Cc1sc(N2CCCC2)nc1C(C)(C)C ZINC000054995154 519730315 /nfs/dbraw/zinc/73/03/15/519730315.db2.gz GLTJEQCFTTYFBV-UHFFFAOYSA-N 1 0 281.469 3.539 10 0 CHAERO CC(C)C[NH2+]C[C@H](C)Oc1cccc2ccccc21 ZINC000052676125 519746019 /nfs/dbraw/zinc/74/60/19/519746019.db2.gz JUBUDLDVFKUTEY-AWEZNQCLSA-N 1 0 257.377 3.853 10 0 CHAERO CC(C)C[NH2+]Cc1cc(F)ccc1N(C)CC(C)C ZINC000062735335 519746634 /nfs/dbraw/zinc/74/66/34/519746634.db2.gz LDRPFAJWELDZFJ-UHFFFAOYSA-N 1 0 266.404 3.664 10 0 CHAERO CC(C)C[NH2+]Cc1cnc(N(C)[C@@H](C)CC(C)C)s1 ZINC000054908899 519748511 /nfs/dbraw/zinc/74/85/11/519748511.db2.gz ZBSHASUUOPENOT-ZDUSSCGKSA-N 1 0 283.485 3.760 10 0 CHAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](Oc2ccc(Cl)cc2)C1 ZINC000054556765 519803370 /nfs/dbraw/zinc/80/33/70/519803370.db2.gz LHUMOWKOWUVMLU-BYCMXARLSA-N 1 0 267.800 3.871 10 0 CHAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1cccc(Cl)c1 ZINC000062671499 519804845 /nfs/dbraw/zinc/80/48/45/519804845.db2.gz QEKLKDXDTSSSGW-HNNXBMFYSA-N 1 0 280.843 3.548 10 0 CHAERO CC(C)[C@H](C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000192982665 519813257 /nfs/dbraw/zinc/81/32/57/519813257.db2.gz OPMGZQOZKWRRAG-JTQLQIEISA-N 1 0 250.367 3.537 10 0 CHAERO CC(C)[C@H](C[NH2+]C1CC1)Cc1cccc(Cl)c1 ZINC000052972382 519815837 /nfs/dbraw/zinc/81/58/37/519815837.db2.gz GYWXKKYEFUVUCM-ZDUSSCGKSA-N 1 0 251.801 3.907 10 0 CHAERO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H](C)C(C)C)cc1 ZINC000236657951 519840159 /nfs/dbraw/zinc/84/01/59/519840159.db2.gz DXKJMRLPJINORI-WMLDXEAASA-N 1 0 290.451 3.608 10 0 CHAERO CC(C)c1csc([C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000156521902 519857189 /nfs/dbraw/zinc/85/71/89/519857189.db2.gz CBRZDNSWNYQARW-ZDUSSCGKSA-N 1 0 264.438 3.856 10 0 CHAERO CCCN1C[C@H](c2ccccc2)[NH2+]Cc2ccccc21 ZINC000062662947 519864492 /nfs/dbraw/zinc/86/44/92/519864492.db2.gz FBRKHKUMSMCGQC-QGZVFWFLSA-N 1 0 266.388 3.748 10 0 CHAERO CCCC1CCC(C[NH2+]C)(OCC(F)(F)F)CC1 ZINC000050502414 519895470 /nfs/dbraw/zinc/89/54/70/519895470.db2.gz GZNFFELABAWYEL-UHFFFAOYSA-N 1 0 267.335 3.514 10 0 CHAERO CCCC1CCN([C@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000050892955 519903142 /nfs/dbraw/zinc/90/31/42/519903142.db2.gz XKRYARZHGSJCAP-GFCCVEGCSA-N 1 0 286.872 3.913 10 0 CHAERO CCC[NH2+]C[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000053010483 519922888 /nfs/dbraw/zinc/92/28/88/519922888.db2.gz JYMHHWWYNMAYFU-NSHDSACASA-N 1 0 287.234 3.819 10 0 CHAERO CCC[NH2+]C[C@H](OC(C)(C)C)c1cccc(F)c1 ZINC000050483971 519932908 /nfs/dbraw/zinc/93/29/08/519932908.db2.gz BEJMDQZQNWLMSE-AWEZNQCLSA-N 1 0 253.361 3.682 10 0 CHAERO CCC[NH2+]C[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000054592535 519940119 /nfs/dbraw/zinc/94/01/19/519940119.db2.gz UJURHSKRTXBUQF-DGCLKSJQSA-N 1 0 257.299 3.809 10 0 CHAERO CC[NH2+]C[C@@H](C)c1c(C)nc(-c2cccs2)nc1C ZINC000054854810 519945200 /nfs/dbraw/zinc/94/52/00/519945200.db2.gz LFAZIWKJASSWIG-SNVBAGLBSA-N 1 0 275.421 3.535 10 0 CHAERO CC[NH2+]C[C@@H](CCCOCC(F)(F)F)CC(C)C ZINC000052968077 519946090 /nfs/dbraw/zinc/94/60/90/519946090.db2.gz YSMWDCWYFVDTHQ-LBPRGKRZSA-N 1 0 269.351 3.617 10 0 CHAERO CC[NH2+]C[C@@H](O[C@H](C)CC(C)C)c1cccc(F)c1 ZINC000050488824 519949696 /nfs/dbraw/zinc/94/96/96/519949696.db2.gz MMPFVFRCHKXHGL-CZUORRHYSA-N 1 0 267.388 3.928 10 0 CHAERO CCC[NH2+]Cc1ccccc1COc1ccccc1 ZINC000052668432 519957275 /nfs/dbraw/zinc/95/72/75/519957275.db2.gz STWGQKGGFUJZEE-UHFFFAOYSA-N 1 0 255.361 3.765 10 0 CHAERO CC[NH2+]C[C@@]1(CCc2scnc2C)C[C@H]2CC[C@@H]1C2 ZINC000054638961 519957762 /nfs/dbraw/zinc/95/77/62/519957762.db2.gz OKPRMMCZKYKMCU-SQWLQELKSA-N 1 0 278.465 3.800 10 0 CHAERO CCC[NH2+]Cc1nc(CN(C)[C@H](C)C(C)(C)C)cs1 ZINC000052504223 519966259 /nfs/dbraw/zinc/96/62/59/519966259.db2.gz VILXCLNGZOUHNK-GFCCVEGCSA-N 1 0 283.485 3.509 10 0 CHAERO CCC[NH2+]Cc1nc(-c2cc(C)c(C)cc2C)c[nH]1 ZINC000055265681 519967941 /nfs/dbraw/zinc/96/79/41/519967941.db2.gz VJCRFGZLEZWMDJ-UHFFFAOYSA-N 1 0 257.381 3.502 10 0 CHAERO CCC[NH2+]Cc1sc(N(C)[C@@H](C)C(C)(C)C)nc1C ZINC000054998623 519975525 /nfs/dbraw/zinc/97/55/25/519975525.db2.gz UZGAXKOKOFBQAA-LBPRGKRZSA-N 1 0 283.485 3.822 10 0 CHAERO CC[NH2+]Cc1ccoc1COc1cc(C)cc(C)c1 ZINC000052666363 520014088 /nfs/dbraw/zinc/01/40/88/520014088.db2.gz ONNONDRNYZQZOC-UHFFFAOYSA-N 1 0 259.349 3.585 10 0 CHAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@H]1CCCCO1 ZINC000050962491 520015410 /nfs/dbraw/zinc/01/54/10/520015410.db2.gz LTRFYHUYCARXDZ-CABCVRRESA-N 1 0 269.335 3.575 10 0 CHAERO CC[NH2+]Cc1sc(-c2cc(F)c(F)c(F)c2)nc1C ZINC000052330436 520031293 /nfs/dbraw/zinc/03/12/93/520031293.db2.gz DOIAYWCSKHYQIO-UHFFFAOYSA-N 1 0 286.322 3.645 10 0 CHAERO CC[NH2+]Cc1sc(N2CCCCCC2)nc1C(C)(C)C ZINC000054995645 520033326 /nfs/dbraw/zinc/03/33/26/520033326.db2.gz BKZRBWNEELAAHV-UHFFFAOYSA-N 1 0 295.496 3.931 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(OCCOC(C)C)c(Cl)c1 ZINC000061698895 520077951 /nfs/dbraw/zinc/07/79/51/520077951.db2.gz KHQGDPMHTCJEBD-LBPRGKRZSA-N 1 0 285.815 3.814 10 0 CHAERO CCC[NH2+][C@H](CSC)Cc1c(C)cc(C)cc1C ZINC000054496608 520084597 /nfs/dbraw/zinc/08/45/97/520084597.db2.gz MWPFMHXGWGBASW-HNNXBMFYSA-N 1 0 265.466 3.886 10 0 CHAERO CC(C)n1nccc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000280042074 520110996 /nfs/dbraw/zinc/11/09/96/520110996.db2.gz VLSUUDOLHKCXMM-LBPRGKRZSA-N 1 0 277.799 3.968 10 0 CHAERO CCCCCN(C)[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052454974 520154606 /nfs/dbraw/zinc/15/46/06/520154606.db2.gz KHGSPYQGUKHSBT-KRWDZBQOSA-N 1 0 262.441 3.848 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(-n2ccnc2C)c(Cl)c1 ZINC000061698338 520176065 /nfs/dbraw/zinc/17/60/65/520176065.db2.gz PNLVVFNCVMRMBR-SNVBAGLBSA-N 1 0 263.772 3.505 10 0 CHAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)CC(F)(F)F ZINC000049669778 520202054 /nfs/dbraw/zinc/20/20/54/520202054.db2.gz DGNMEFNREVMLNK-CYBMUJFWSA-N 1 0 259.315 3.776 10 0 CHAERO CC[NH2+][C@H](c1cccnc1)C(C)(C)c1ccccc1 ZINC000062773527 520212276 /nfs/dbraw/zinc/21/22/76/520212276.db2.gz YRXSOCKPCSNDDY-MRXNPFEDSA-N 1 0 254.377 3.710 10 0 CHAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1Oc1ccccc1 ZINC000054556294 520220319 /nfs/dbraw/zinc/22/03/19/520220319.db2.gz UNBJIQLVIHETCK-XIRDDKMYSA-N 1 0 261.409 3.868 10 0 CHAERO CCCCCO[C@@H](C[NH2+]CC)c1ccccc1F ZINC000050500958 520248539 /nfs/dbraw/zinc/24/85/39/520248539.db2.gz PGDZNDCIXJCVCW-HNNXBMFYSA-N 1 0 253.361 3.683 10 0 CHAERO CCNc1ccc(Cl)c(C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000061630597 520308945 /nfs/dbraw/zinc/30/89/45/520308945.db2.gz XLJXDIJNHZYRDR-RYUDHWBXSA-N 1 0 281.831 3.645 10 0 CHAERO CCNc1ccc(Cl)c(C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000061630598 520309342 /nfs/dbraw/zinc/30/93/42/520309342.db2.gz XLJXDIJNHZYRDR-VXGBXAGGSA-N 1 0 281.831 3.645 10 0 CHAERO CCCCOCCOC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000050496599 520785594 /nfs/dbraw/zinc/78/55/94/520785594.db2.gz FLQCQBHTMBONDU-UHFFFAOYSA-N 1 0 271.445 3.521 10 0 CHAERO Cc1ccc2[nH+]ccc(N[C@H](C)[C@@H]3CCCO3)c2c1 ZINC000302136624 534522590 /nfs/dbraw/zinc/52/25/90/534522590.db2.gz BLMOMYYRBCPBFX-WBMJQRKESA-N 1 0 256.349 3.523 10 0 CHAERO CCOC(=O)C[C@H]([NH2+]Cc1ccccc1)c1cccs1 ZINC000067730373 520888651 /nfs/dbraw/zinc/88/86/51/520888651.db2.gz GTUSISKJYZQQER-AWEZNQCLSA-N 1 0 289.400 3.532 10 0 CHAERO CC1CCC([NH2+]CCO[C@H]2CCC[C@@H](C)C2)CC1 ZINC000053569046 520954197 /nfs/dbraw/zinc/95/41/97/520954197.db2.gz GIEOUXSIFSGDFA-KNIAUWFNSA-N 1 0 253.430 3.750 10 0 CHAERO CC1CC[NH+](CCN2CC=C(c3cccs3)CC2)CC1 ZINC000153967670 521007628 /nfs/dbraw/zinc/00/76/28/521007628.db2.gz GEGHUQHRTNYXNJ-UHFFFAOYSA-N 1 0 290.476 3.569 10 0 CHAERO CCC[C@H](C)C[C@@H](Cc1nc(C)cs1)[NH2+]CC ZINC000055269021 521026863 /nfs/dbraw/zinc/02/68/63/521026863.db2.gz DILWQSZMOOAIGU-AAEUAGOBSA-N 1 0 254.443 3.798 10 0 CHAERO CCC[C@H](CCCCOCC(F)(F)F)[NH2+]CC ZINC000049312791 521089505 /nfs/dbraw/zinc/08/95/05/521089505.db2.gz ODCQKYOGMABEHS-LLVKDONJSA-N 1 0 255.324 3.514 10 0 CHAERO CCCC[C@@](CC)(CCOCC(F)(F)F)C[NH2+]C ZINC000054657790 521121751 /nfs/dbraw/zinc/12/17/51/521121751.db2.gz RSKMPNKSHFEXMU-LBPRGKRZSA-N 1 0 269.351 3.761 10 0 CHAERO CCC[C@H]([NH2+]CCN(CC)CC)c1cccs1 ZINC000049544783 521157316 /nfs/dbraw/zinc/15/73/16/521157316.db2.gz ZHZYWEYOGMXNBH-ZDUSSCGKSA-N 1 0 254.443 3.521 10 0 CHAERO CCCC[C@H](CC)C[C@]1(C[NH2+]C(C)C)CCOC1 ZINC000054665027 521180811 /nfs/dbraw/zinc/18/08/11/521180811.db2.gz UQVCJSRFYPHXKC-HOTGVXAUSA-N 1 0 255.446 3.998 10 0 CHAERO CCC(C)(C)[NH2+]C[C@@H](C)N1CCC(C)(CC)CC1 ZINC000062958735 521352651 /nfs/dbraw/zinc/35/26/51/521352651.db2.gz QTDHVGBRAPYIGL-CQSZACIVSA-N 1 0 254.462 3.665 10 0 CHAERO CCCc1ccc(NCC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000052205508 521402879 /nfs/dbraw/zinc/40/28/79/521402879.db2.gz RIIOBCQHFAPSNP-KRWDZBQOSA-N 1 0 260.425 3.925 10 0 CHAERO CCCc1ccc([C@@H](Cc2ccncc2)[NH2+]C)cc1 ZINC000055242153 521414539 /nfs/dbraw/zinc/41/45/39/521414539.db2.gz LCAGDFWBUXYJIN-QGZVFWFLSA-N 1 0 254.377 3.537 10 0 CHAERO CCN([C@H](C[NH2+]CC(C)C)C(C)C)C1CCCC1 ZINC000052457548 521477209 /nfs/dbraw/zinc/47/72/09/521477209.db2.gz BCVCRGMTRFIXQR-MRXNPFEDSA-N 1 0 254.462 3.521 10 0 CHAERO CCCc1nc(N2CCCC[C@H]2CC)sc1C[NH2+]C ZINC000054996575 521531182 /nfs/dbraw/zinc/53/11/82/521531182.db2.gz ZDOQWPWBCOYPSZ-GFCCVEGCSA-N 1 0 281.469 3.584 10 0 CHAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000293714267 521573544 /nfs/dbraw/zinc/57/35/44/521573544.db2.gz FBGNRIDPACDAQZ-BARDWOONSA-N 1 0 277.408 3.692 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@H](C)C[NH2+]CC ZINC000061219236 521636718 /nfs/dbraw/zinc/63/67/18/521636718.db2.gz VBIKTYRXWUUYLR-LLVKDONJSA-N 1 0 279.815 3.813 10 0 CHAERO CCCn1c2ccc(Cl)cc2nc1[C@@H](C)C[NH2+]CC ZINC000061219234 521637156 /nfs/dbraw/zinc/63/71/56/521637156.db2.gz VBIKTYRXWUUYLR-NSHDSACASA-N 1 0 279.815 3.813 10 0 CHAERO CCc1ccccc1[C@@H](CN)[N@H+](C)[C@@H](C)CC(C)C ZINC000052203816 521929496 /nfs/dbraw/zinc/92/94/96/521929496.db2.gz IZEVKGBRFATYJV-WMLDXEAASA-N 1 0 262.441 3.615 10 0 CHAERO C[NH2+]C[C@@H](Cc1ccsc1)Cc1ccc(C)cc1 ZINC000052974374 522034515 /nfs/dbraw/zinc/03/45/15/522034515.db2.gz MXMVYOYHMBEBMJ-MRXNPFEDSA-N 1 0 259.418 3.677 10 0 CHAERO C[NH2+]C[C@@]1(OC2CCCCCC2)CCC[C@@H](C)C1 ZINC000050504791 522063864 /nfs/dbraw/zinc/06/38/64/522063864.db2.gz QXZUPPHKFPURLT-GDBMZVCRSA-N 1 0 253.430 3.894 10 0 CHAERO C[NH2+]C[C@H](Cc1cccs1)Cc1cccc(C)c1 ZINC000052976295 522074750 /nfs/dbraw/zinc/07/47/50/522074750.db2.gz IHCCKJPESZFLLY-HNNXBMFYSA-N 1 0 259.418 3.677 10 0 CHAERO C[NH2+]C[C@H](OC1CCC(C)CC1)c1ccccc1F ZINC000050491001 522075646 /nfs/dbraw/zinc/07/56/46/522075646.db2.gz RHWYAASLUKCHCT-ZUEPYMLJSA-N 1 0 265.372 3.682 10 0 CHAERO C[NH2+]Cc1cc(F)c(Oc2cccc(C)c2)c(F)c1 ZINC000062720417 522113439 /nfs/dbraw/zinc/11/34/39/522113439.db2.gz QNAUNMKWLXETKJ-UHFFFAOYSA-N 1 0 263.287 3.785 10 0 CHAERO C[NH2+]Cc1ccc(COc2c(C)cc(Cl)cc2C)o1 ZINC000052651363 522116050 /nfs/dbraw/zinc/11/60/50/522116050.db2.gz LYGMSTMPULNYEF-UHFFFAOYSA-N 1 0 279.767 3.848 10 0 CHAERO C[NH2+]Cc1sc(-c2cccc(C(F)(F)F)c2)nc1C ZINC000052330064 522165123 /nfs/dbraw/zinc/16/51/23/522165123.db2.gz AOODBVSERRXOMC-UHFFFAOYSA-N 1 0 286.322 3.857 10 0 CHAERO CC[C@@H](C)O[C@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050484605 522256415 /nfs/dbraw/zinc/25/64/15/522256415.db2.gz PXVRXCZVNNRDFX-IUODEOHRSA-N 1 0 253.361 3.680 10 0 CHAERO C[NH2+][C@H]1CCCC[C@H]1Cc1c(F)cccc1Cl ZINC000049345995 522490585 /nfs/dbraw/zinc/49/05/85/522490585.db2.gz YNKHFKDGFQCYPY-HZMBPMFUSA-N 1 0 255.764 3.800 10 0 CHAERO CCc1nc2ccccc2n1[C@@H](C)C[NH2+][C@H](C)CC ZINC000062808118 522505256 /nfs/dbraw/zinc/50/52/56/522505256.db2.gz JKIUIGDFXQSPQU-OLZOCXBDSA-N 1 0 259.397 3.548 10 0 CHAERO CC[C@@H](C[NH3+])Oc1ccc2oc3ccccc3c2c1 ZINC000061676230 522528267 /nfs/dbraw/zinc/52/82/67/522528267.db2.gz XVVUKBVXMJTZNW-NSHDSACASA-N 1 0 255.317 3.702 10 0 CHAERO CC[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000227539671 522727088 /nfs/dbraw/zinc/72/70/88/522727088.db2.gz KEQBZKQFVDLGBR-QLFBSQMISA-N 1 0 272.417 3.934 10 0 CHAERO CC[C@H]([NH2+][C@H]1COc2ccccc21)c1ccccc1 ZINC000070196881 522758625 /nfs/dbraw/zinc/75/86/25/522758625.db2.gz GTBUWGYYGWQYAX-HOTGVXAUSA-N 1 0 253.345 3.861 10 0 CHAERO CC[C@@H]([NH2+]C)c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000054722036 522805592 /nfs/dbraw/zinc/80/55/92/522805592.db2.gz ZUZQQZISXLFYKJ-CQSZACIVSA-N 1 0 298.217 3.909 10 0 CHAERO CC[C@H]1CSC(N[C@@H](C)c2ccccc2Cl)=[NH+]1 ZINC000049510572 523356517 /nfs/dbraw/zinc/35/65/17/523356517.db2.gz WWDKJIWLIWILJB-UWVGGRQHSA-N 1 0 268.813 3.872 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccsc2)c1C ZINC000061361882 523662374 /nfs/dbraw/zinc/66/23/74/523662374.db2.gz BIJNBEALMGKMNP-WDEREUQCSA-N 1 0 277.437 3.993 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccsc2)c1C ZINC000061361883 523666401 /nfs/dbraw/zinc/66/64/01/523666401.db2.gz BIJNBEALMGKMNP-QWRGUYRKSA-N 1 0 277.437 3.993 10 0 CHAERO COc1ccc(CC2(C[NH3+])CCCC2)cc1Br ZINC000054635777 523914080 /nfs/dbraw/zinc/91/40/80/523914080.db2.gz PCSBWZJXOXNMCH-UHFFFAOYSA-N 1 0 298.224 3.519 10 0 CHAERO COCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(Cl)cc1Cl ZINC000054598877 523944214 /nfs/dbraw/zinc/94/42/14/523944214.db2.gz LEGJMKJBIWKDOS-YGRLFVJLSA-N 1 0 288.218 3.507 10 0 CHAERO C[C@H]1CCC[C@@H]([N@@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000062666578 524144379 /nfs/dbraw/zinc/14/43/79/524144379.db2.gz NLEJSRFQDHZAFS-JQHSSLGASA-N 1 0 272.436 3.602 10 0 CHAERO C[C@@H]1CCCC[C@@]1([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703227 524153248 /nfs/dbraw/zinc/15/32/48/524153248.db2.gz QMCCIOHTPVPGNP-MFKMUULPSA-N 1 0 273.298 3.949 10 0 CHAERO COc1ccc(C[C@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC000049597128 524157404 /nfs/dbraw/zinc/15/74/04/524157404.db2.gz WMFOXBIGYWESTH-YPMHNXCESA-N 1 0 298.224 3.518 10 0 CHAERO COc1ccc(Cl)cc1NCC[C@@H]1CCCC[N@@H+]1C ZINC000052205285 524244644 /nfs/dbraw/zinc/24/46/44/524244644.db2.gz KAJMATPUQBVOLC-ZDUSSCGKSA-N 1 0 282.815 3.635 10 0 CHAERO C[C@@H](CC(N)=[NH2+])Sc1ccc(C(C)(C)C)cc1 ZINC000048257591 524340690 /nfs/dbraw/zinc/34/06/90/524340690.db2.gz ZEYXZXAFFLHDEL-JTQLQIEISA-N 1 0 250.411 3.791 10 0 CHAERO Cc1cccc(C[N@H+]2CC(C)(C)NC[C@H]2CC(C)C)c1 ZINC000062668215 524387445 /nfs/dbraw/zinc/38/74/45/524387445.db2.gz QEWMTHJRJDIIAA-QGZVFWFLSA-N 1 0 274.452 3.594 10 0 CHAERO COc1ccccc1CC1([NH3+])CCC(C(C)C)CC1 ZINC000054557395 524390976 /nfs/dbraw/zinc/39/09/76/524390976.db2.gz VOSKGSYWYHPTMY-UHFFFAOYSA-N 1 0 261.409 3.781 10 0 CHAERO C[C@@H]1CCC[C@H]([N@@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000062673051 524391439 /nfs/dbraw/zinc/39/14/39/524391439.db2.gz SIXKTXZDCOUARB-BPQIPLTHSA-N 1 0 286.463 3.990 10 0 CHAERO C[C@H](C[NH2+]C(C)(C)C)Oc1ccc2c(c1)CCCC2 ZINC000052706714 524479157 /nfs/dbraw/zinc/47/91/57/524479157.db2.gz GDDJMCKVBPJSGT-CYBMUJFWSA-N 1 0 261.409 3.721 10 0 CHAERO C[C@@H](CC[NH+](C)C)Nc1nc2cc(Cl)ccc2s1 ZINC000049559128 524481000 /nfs/dbraw/zinc/48/10/00/524481000.db2.gz MMDDQTVIAUSSBK-VIFPVBQESA-N 1 0 283.828 3.702 10 0 CHAERO Cc1cc(COc2cc(Cl)ccc2Cl)oc1C[NH3+] ZINC000052652679 524806004 /nfs/dbraw/zinc/80/60/04/524806004.db2.gz QOBMFLNUIWBLGI-UHFFFAOYSA-N 1 0 286.158 3.933 10 0 CHAERO Cc1cc(Cl)cc(C)c1OCC[NH2+][C@@H](C)C1CC1 ZINC000053563957 524862120 /nfs/dbraw/zinc/86/21/20/524862120.db2.gz HAEYXEYIGUKDJO-LBPRGKRZSA-N 1 0 267.800 3.724 10 0 CHAERO C[C@@H](Cc1ccsc1)[NH2+]Cc1c(F)cccc1F ZINC000049154146 524939636 /nfs/dbraw/zinc/93/96/36/524939636.db2.gz KBAUXGOVTBIKBX-JTQLQIEISA-N 1 0 267.344 3.747 10 0 CHAERO Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3C)CC2)nc1 ZINC000163510423 524943770 /nfs/dbraw/zinc/94/37/70/524943770.db2.gz IYFRGVVLHROVNX-WBVHZDCISA-N 1 0 287.451 3.527 10 0 CHAERO C[C@@H]([NH3+])c1ccc(OCC(F)(F)C(F)F)c(Cl)c1 ZINC000061699294 525029495 /nfs/dbraw/zinc/02/94/95/525029495.db2.gz FCRFSWDILZDYOU-ZCFIWIBFSA-N 1 0 285.668 3.639 10 0 CHAERO C[C@]([NH3+])(c1cccc(Cl)c1)c1cc(F)ccc1F ZINC000055242735 525150442 /nfs/dbraw/zinc/15/04/42/525150442.db2.gz IYZVNSOWVLSDMT-AWEZNQCLSA-N 1 0 267.706 3.840 10 0 CHAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000281551903 525152005 /nfs/dbraw/zinc/15/20/05/525152005.db2.gz JHZFNXYVPHVNCV-LXTVHRRPSA-N 1 0 277.408 3.549 10 0 CHAERO Cc1ccccc1CS[C@H](c1ccncc1)[C@H](C)[NH3+] ZINC000054964054 525185117 /nfs/dbraw/zinc/18/51/17/525185117.db2.gz SMEZEGQHQHXYPP-BBRMVZONSA-N 1 0 272.417 3.712 10 0 CHAERO Cc1ccccc1C[C@@H](C[NH3+])CCOCCC(C)C ZINC000052948266 525191759 /nfs/dbraw/zinc/19/17/59/525191759.db2.gz QSHVMIBBJOAQQG-INIZCTEOSA-N 1 0 263.425 3.565 10 0 CHAERO Cc1cc(O[C@@H](C)C[NH2+]C(C)C)cc(C)c1Cl ZINC000052699966 525379924 /nfs/dbraw/zinc/37/99/24/525379924.db2.gz ZTJJYQUBAPGBKX-LBPRGKRZSA-N 1 0 255.789 3.722 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccco1 ZINC000151700652 525611462 /nfs/dbraw/zinc/61/14/62/525611462.db2.gz ZIRNRAPJHKYTIM-UONOGXRCSA-N 1 0 281.359 3.877 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)[C@@H]1CCCO1 ZINC000085433304 525619223 /nfs/dbraw/zinc/61/92/23/525619223.db2.gz VRJIBFZSOYLHRE-WDMOLILDSA-N 1 0 276.405 3.514 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Br)s1 ZINC000052275047 525635304 /nfs/dbraw/zinc/63/53/04/525635304.db2.gz SFAIBOSCCGIIEC-FXQIFTODSA-N 1 0 260.200 3.570 10 0 CHAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)c1cccs1 ZINC000037235482 525672424 /nfs/dbraw/zinc/67/24/24/525672424.db2.gz ZPKWTEOTKGXZPY-YPMHNXCESA-N 1 0 286.400 3.507 10 0 CHAERO C[C@H](Nc1cc[nH+]cc1N)c1cccc(Br)c1 ZINC000049564052 525673951 /nfs/dbraw/zinc/67/39/51/525673951.db2.gz LCKWQIMIWQSCFK-VIFPVBQESA-N 1 0 292.180 3.599 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc2c(c1)CCO2 ZINC000193003211 525688962 /nfs/dbraw/zinc/68/89/62/525688962.db2.gz QCCDTRRLYAJTFN-DYVFJYSZSA-N 1 0 295.382 3.796 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]Cc2cncc(F)c2)c(C)c1 ZINC000275162147 525735705 /nfs/dbraw/zinc/73/57/05/525735705.db2.gz JDCRAZCDUSJALJ-CYBMUJFWSA-N 1 0 258.340 3.688 10 0 CHAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2C(C)C)c(C)c1 ZINC000279813203 525737635 /nfs/dbraw/zinc/73/76/35/525737635.db2.gz FVGXWEFMNDYJGP-OAHLLOKOSA-N 1 0 271.408 3.932 10 0 CHAERO Cc1ccc([C@H](C)N2Cc3ccccc3C2=[NH2+])s1 ZINC000049184050 525885030 /nfs/dbraw/zinc/88/50/30/525885030.db2.gz FJPPFNXQHMDQEZ-NSHDSACASA-N 1 0 256.374 3.959 10 0 CHAERO Cc1ccc([C@H]([NH3+])Cc2cccc(F)c2F)cc1F ZINC000053818669 525962092 /nfs/dbraw/zinc/96/20/92/525962092.db2.gz MAZWNRJYXKHKMP-CQSZACIVSA-N 1 0 265.278 3.655 10 0 CHAERO C[C@@H](c1cccs1)[N@H+](C)CCc1ccccc1N ZINC000052918535 526143759 /nfs/dbraw/zinc/14/37/59/526143759.db2.gz FDHXORTUXUIFOA-LBPRGKRZSA-N 1 0 260.406 3.566 10 0 CHAERO Cc1ccc2c(c1)CCCN2c1ncc([C@H](C)[NH3+])s1 ZINC000054894739 526147929 /nfs/dbraw/zinc/14/79/29/526147929.db2.gz ILDDAOQRFJODMQ-NSHDSACASA-N 1 0 273.405 3.556 10 0 CHAERO C[C@@H](c1nc(-c2ccccc2)no1)[C@H]([NH3+])c1ccccc1 ZINC000157947119 526162958 /nfs/dbraw/zinc/16/29/58/526162958.db2.gz HUHHYQLXKLBWNN-DOMZBBRYSA-N 1 0 279.343 3.540 10 0 CHAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1CCOCC1 ZINC000107064427 526257548 /nfs/dbraw/zinc/25/75/48/526257548.db2.gz YCZXSCRSFTYPAV-OAHLLOKOSA-N 1 0 275.436 3.759 10 0 CHAERO Fc1ccc(CC2(C[NH2+]C3CC3)CCCC2)c(F)c1 ZINC000054655856 526327794 /nfs/dbraw/zinc/32/77/94/526327794.db2.gz JLBRDMBCPRCZRD-UHFFFAOYSA-N 1 0 265.347 3.820 10 0 CHAERO Cc1csc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000156981294 526442854 /nfs/dbraw/zinc/44/28/54/526442854.db2.gz YYBCHTMCADBULZ-AWEZNQCLSA-N 1 0 290.407 3.970 10 0 CHAERO c1ccc2c(c1)OC1(CCCC1)C[C@@H]2[NH2+]CC1=CCCOC1 ZINC000127959301 526510424 /nfs/dbraw/zinc/51/04/24/526510424.db2.gz RZZFHIVZQZFLFO-KRWDZBQOSA-N 1 0 299.414 3.759 10 0 CHAERO Cc1nc(-c2ccc(Cl)cc2)[nH+]c(NN)c1C(C)C ZINC000061689008 526572159 /nfs/dbraw/zinc/57/21/59/526572159.db2.gz DMKHVLXPXGZKKF-UHFFFAOYSA-N 1 0 276.771 3.514 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000052274789 526661237 /nfs/dbraw/zinc/66/12/37/526661237.db2.gz VZYIWYKUZYFDHK-IQJOONFLSA-N 1 0 252.427 3.808 10 0 CHAERO NC(=[NH2+])c1cc(Cl)ccc1Oc1cccc(F)c1F ZINC000062615506 526820918 /nfs/dbraw/zinc/82/09/18/526820918.db2.gz MWUSSLSWPXMCDG-UHFFFAOYSA-N 1 0 282.677 3.695 10 0 CHAERO Clc1cc(Cl)cc(OCCC[C@H]2CCC[NH2+]2)c1 ZINC000052765275 526927825 /nfs/dbraw/zinc/92/78/25/526927825.db2.gz LILGDIQWMVLLJN-GFCCVEGCSA-N 1 0 274.191 3.904 10 0 CHAERO Cc1nc(Cc2ccc(F)cc2Cl)sc1[C@@H](C)[NH3+] ZINC000062608471 526928197 /nfs/dbraw/zinc/92/81/97/526928197.db2.gz WVEKFIYCSMYMGV-SSDOTTSWSA-N 1 0 284.787 3.855 10 0 CHAERO Clc1cc2nc([C@H]3CCC[NH2+]C3)oc2c(Cl)c1 ZINC000062541567 526933095 /nfs/dbraw/zinc/93/30/95/526933095.db2.gz HZYCLRNHSMBCLI-ZETCQYMHSA-N 1 0 271.147 3.602 10 0 CHAERO Clc1ccccc1-c1csc([C@@H]2CCC[NH2+]2)n1 ZINC000053251336 526983432 /nfs/dbraw/zinc/98/34/32/526983432.db2.gz FGYFEDFBSJTOAW-NSHDSACASA-N 1 0 264.781 3.888 10 0 CHAERO [NH3+]C1(CCCc2ccccc2)Cc2ccccc2C1 ZINC000053753979 527129402 /nfs/dbraw/zinc/12/94/02/527129402.db2.gz BSDVWXOERZZNQF-UHFFFAOYSA-N 1 0 251.373 3.506 10 0 CHAERO [NH3+]CCN(Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000054186772 527185785 /nfs/dbraw/zinc/18/57/85/527185785.db2.gz LHJSSGGJDWWHMH-UHFFFAOYSA-N 1 0 294.320 3.671 10 0 CHAERO [NH3+]C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1F ZINC000057552539 527206792 /nfs/dbraw/zinc/20/67/92/527206792.db2.gz MSCKSMHFVABFNZ-CQSZACIVSA-N 1 0 264.731 3.591 10 0 CHAERO [NH3+]C[C@H](Cc1ccsc1)Cc1cccc(Cl)c1 ZINC000052948008 527226373 /nfs/dbraw/zinc/22/63/73/527226373.db2.gz MFWGVDIWSNHLGQ-ZDUSSCGKSA-N 1 0 265.809 3.762 10 0 CHAERO [NH3+][C@@H](c1ccsc1)c1ccccc1OC(F)(F)F ZINC000055205796 527338773 /nfs/dbraw/zinc/33/87/73/527338773.db2.gz NRXPWKUYUDIKIV-NSHDSACASA-N 1 0 273.279 3.695 10 0 CHAERO [NH3+][C@H]1CCCC[C@@H]1CCOc1cccc(Br)c1 ZINC000049597120 527396682 /nfs/dbraw/zinc/39/66/82/527396682.db2.gz JQZDLUVXPLPGEN-RISCZKNCSA-N 1 0 298.224 3.736 10 0 CHAERO Cc1ncsc1[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000049157161 527517544 /nfs/dbraw/zinc/51/75/44/527517544.db2.gz CLGOMBYSIYEETK-KOLCDFICSA-N 1 0 266.435 3.795 10 0 CHAERO Nc1[nH+]c2ccccc2n1[C@@H]1CCCc2sccc21 ZINC000061365012 527562474 /nfs/dbraw/zinc/56/24/74/527562474.db2.gz PVGXXBSQUSHNBU-GFCCVEGCSA-N 1 0 269.373 3.606 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1c1ccc2ccccc2c1 ZINC000083511095 535264271 /nfs/dbraw/zinc/26/42/71/535264271.db2.gz MSJLOICCESRSND-KSSFIOAISA-N 1 0 268.404 3.663 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccccc1Cl ZINC000083493792 536169634 /nfs/dbraw/zinc/16/96/34/536169634.db2.gz RYWSKZXZVQJKGD-JSGCOSHPSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1cccc(SC)c1 ZINC000083587492 536169804 /nfs/dbraw/zinc/16/98/04/536169804.db2.gz NZCSLJJWWCWHAZ-BBRMVZONSA-N 1 0 278.465 3.621 10 0 CHAERO Cc1ccc(C[N@@H+](C[C@@H](O)c2ccccc2)C(C)C)cc1 ZINC000036101783 566994607 /nfs/dbraw/zinc/99/46/07/566994607.db2.gz DILINDYXOZJZJE-LJQANCHMSA-N 1 0 283.415 3.939 10 0 CHAERO Brc1ccc([C@@H]2[NH2+]CCc3sccc32)cc1 ZINC000084704909 567032507 /nfs/dbraw/zinc/03/25/07/567032507.db2.gz QHMLCOYOOMFHHT-ZDUSSCGKSA-N 1 0 294.217 3.746 10 0 CHAERO CCN1CCC(=O)C12CCC(C(C)(C)CC)CC2 ZINC000711933732 567836979 /nfs/dbraw/zinc/83/69/79/567836979.db2.gz PPUKBUPLICRJDN-UHFFFAOYSA-N 1 0 251.414 3.646 10 0 CHAERO Clc1csc([C@H]2[NH2+]CCc3ccsc32)c1 ZINC000712513702 567850674 /nfs/dbraw/zinc/85/06/74/567850674.db2.gz UFPJDJDWICSDMH-SNVBAGLBSA-N 1 0 255.795 3.698 10 0 CHAERO Clc1sccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712542788 567851620 /nfs/dbraw/zinc/85/16/20/567851620.db2.gz QEPZUYRYGPLHAI-VIFPVBQESA-N 1 0 255.795 3.698 10 0 CHAERO [NH3+][C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000019968765 567880375 /nfs/dbraw/zinc/88/03/75/567880375.db2.gz RMRLJURMVRQWOM-MRVPVSSYSA-N 1 0 257.177 3.658 10 0 CHAERO CCCCC[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000057353274 567895062 /nfs/dbraw/zinc/89/50/62/567895062.db2.gz IKLDESHOAVHMHD-UHFFFAOYSA-N 1 0 286.423 3.806 10 0 CHAERO CC(C)(C)C[C@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068591280 567900936 /nfs/dbraw/zinc/90/09/36/567900936.db2.gz TYUNMNHXFHRCAL-CQSZACIVSA-N 1 0 298.471 3.563 10 0 CHAERO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1OC ZINC000013725241 567942215 /nfs/dbraw/zinc/94/22/15/567942215.db2.gz CTADKALZECLVSE-OAHLLOKOSA-N 1 0 299.414 3.815 10 0 CHAERO CCOc1cc(C[NH2+]C)ccc1OCc1cccc(C)c1 ZINC000019777941 567944667 /nfs/dbraw/zinc/94/46/67/567944667.db2.gz HSQZLCWJIOYSIH-UHFFFAOYSA-N 1 0 285.387 3.692 10 0 CHAERO CC(C)[C@@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000020592758 570308573 /nfs/dbraw/zinc/30/85/73/570308573.db2.gz WBYCRIBURDQFHK-GFCCVEGCSA-N 1 0 268.154 3.851 10 0 CHAERO C[NH+](C)CCCN1c2ccccc2Sc2cccnc21 ZINC000000001996 570319348 /nfs/dbraw/zinc/31/93/48/570319348.db2.gz JTTAUPUMOLRVRA-UHFFFAOYSA-N 1 0 285.416 3.636 10 0 investigational CHAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(C(C)(C)C)cc1 ZINC000375606542 1120014336 /nfs/dbraw/zinc/01/43/36/1120014336.db2.gz OKUBICKRDRRGOZ-YYQUZTFQSA-N 1 0 273.420 3.527 10 0 CHAERO [NH3+][C@@H](c1ccc(Cl)cc1Br)C1CC1 ZINC000095665133 185017398 /nfs/dbraw/zinc/01/73/98/185017398.db2.gz ZNEQDWLLLXQHNE-SNVBAGLBSA-N 1 0 260.562 3.512 10 0 CHAERO CCCc1nc(C(C)(C)C)sc1C[NH2+]C(C)C ZINC000082428040 178003294 /nfs/dbraw/zinc/00/32/94/178003294.db2.gz WMGTZVJDHNTSFI-UHFFFAOYSA-N 1 0 254.443 3.891 10 0 CHAERO CCCc1nc(-c2cccc(OCC)c2)sc1C[NH2+]C ZINC000082428377 178004148 /nfs/dbraw/zinc/00/41/48/178004148.db2.gz XQNDJDVPCYKCDH-UHFFFAOYSA-N 1 0 290.432 3.881 10 0 CHAERO CCN(CC)c1nc(C(C)C)c(C[NH2+]CC(C)C)s1 ZINC000082434710 178011251 /nfs/dbraw/zinc/01/12/51/178011251.db2.gz XGZQIDKZBURLNO-UHFFFAOYSA-N 1 0 283.485 3.858 10 0 CHAERO CCC[NH2+]Cc1sc(CSCC)nc1C1CC1 ZINC000082436097 178013341 /nfs/dbraw/zinc/01/33/41/178013341.db2.gz XDSLGMGZOWOBFQ-UHFFFAOYSA-N 1 0 270.467 3.773 10 0 CHAERO C[NH2+]Cc1sc(COc2ccccc2)nc1C(C)(C)C ZINC000082439339 178017841 /nfs/dbraw/zinc/01/78/41/178017841.db2.gz VAVLIIOWXZXTPD-UHFFFAOYSA-N 1 0 290.432 3.739 10 0 CHAERO CC[NH2+]Cc1sc(CSCC)nc1C(C)(C)C ZINC000082439662 178018034 /nfs/dbraw/zinc/01/80/34/178018034.db2.gz LSBDYPUXWGORDQ-UHFFFAOYSA-N 1 0 272.483 3.803 10 0 CHAERO CCC[NH2+]Cc1cnn(-c2cccc(C)c2)c1C(F)(F)F ZINC000082661608 178148581 /nfs/dbraw/zinc/14/85/81/178148581.db2.gz BZHUCYJDAPKLGV-UHFFFAOYSA-N 1 0 297.324 3.699 10 0 CHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(OC)c(F)c2)c1 ZINC000082710232 178221727 /nfs/dbraw/zinc/22/17/27/178221727.db2.gz XQHIPRLREKSGNN-SNVBAGLBSA-N 1 0 277.314 3.921 10 0 CHAERO [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000082719128 178234092 /nfs/dbraw/zinc/23/40/92/178234092.db2.gz AODUZDLPDNTNHU-LURJTMIESA-N 1 0 258.070 3.598 10 0 CHAERO O=C(c1ccc(Cl)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000082722090 178237203 /nfs/dbraw/zinc/23/72/03/178237203.db2.gz LHIFEUOXODQZTL-NSHDSACASA-N 1 0 273.763 3.676 10 0 CHAERO C[C@H]([NH3+])c1ccc(Br)c2ccccc21 ZINC000082726293 178242402 /nfs/dbraw/zinc/24/24/02/178242402.db2.gz ORWKSMWNIJVYSS-QMMMGPOBSA-N 1 0 250.139 3.622 10 0 CHAERO Cc1cccc(C[NH2+]Cc2cccs2)c1Cl ZINC000083391008 178395524 /nfs/dbraw/zinc/39/55/24/178395524.db2.gz QZWFBWYZMQTGOQ-UHFFFAOYSA-N 1 0 251.782 4.000 10 0 CHAERO [NH3+]C[C@@H](c1ccccc1Br)C1CCCC1 ZINC000096885955 185120988 /nfs/dbraw/zinc/12/09/88/185120988.db2.gz CYAPMQCWAAMTPS-GFCCVEGCSA-N 1 0 268.198 3.682 10 0 CHAERO Cc1ccc(Br)cc1C[NH2+]C(C)(C)C ZINC000083413680 178421839 /nfs/dbraw/zinc/42/18/39/178421839.db2.gz DYUOSFUBXGJPJH-UHFFFAOYSA-N 1 0 256.187 3.646 10 0 CHAERO C[NH2+]C[C@H](OC)c1ccc(SC2CCCC2)cc1 ZINC000096890996 185124414 /nfs/dbraw/zinc/12/44/14/185124414.db2.gz USNVRHZLSWFZFC-HNNXBMFYSA-N 1 0 265.422 3.628 10 0 CHAERO Cc1cc(O[C@H](C)C[NH2+]CC(C)C)cc(C)c1Cl ZINC000083516369 178548824 /nfs/dbraw/zinc/54/88/24/178548824.db2.gz VJWMVPUSTWMFBD-CYBMUJFWSA-N 1 0 269.816 3.970 10 0 CHAERO [NH3+][C@H]1C[C@H](c2c(F)cccc2F)Nc2ccccc21 ZINC000097758102 185662234 /nfs/dbraw/zinc/66/22/34/185662234.db2.gz MLUFPOZMMVBCEO-GXTWGEPZSA-N 1 0 260.287 3.522 10 0 CHAERO CCCCC[C@]1(C[NH2+]CCOC)C[C@H]2CC[C@@H]1C2 ZINC000104009004 185881853 /nfs/dbraw/zinc/88/18/53/185881853.db2.gz MJLMHETYLDCQDR-ARFHVFGLSA-N 1 0 253.430 3.609 10 0 CHAERO CC(C)CC[C@H](C)[NH2+]CCN(C)c1ccc(F)cc1 ZINC000104012717 185882697 /nfs/dbraw/zinc/88/26/97/185882697.db2.gz KCKIBUKTJBDDES-AWEZNQCLSA-N 1 0 266.404 3.676 10 0 CHAERO CNc1c2cc(F)c(F)cc2[nH+]c2c1CCCCC2 ZINC000104064479 185889780 /nfs/dbraw/zinc/88/97/80/185889780.db2.gz RHNYSKCAXXJEKY-UHFFFAOYSA-N 1 0 262.303 3.824 10 0 CHAERO CC[C@H]1CCCC[C@@H]1N1Cc2ccc(F)cc2C1=[NH2+] ZINC000104176075 185916942 /nfs/dbraw/zinc/91/69/42/185916942.db2.gz KABXBLPJFHITQD-NHYWBVRUSA-N 1 0 260.356 3.935 10 0 CHAERO Cc1cc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)cc(C)c1O ZINC000104246956 185943295 /nfs/dbraw/zinc/94/32/95/185943295.db2.gz VFCHZPYLFJDZDC-IMJJTQAJSA-N 1 0 259.393 3.535 10 0 CHAERO CCCN(c1ccc(C[C@H]([NH3+])CC)cc1F)C(C)C ZINC000104276279 185952191 /nfs/dbraw/zinc/95/21/91/185952191.db2.gz AQARDSKHCNWWHD-CQSZACIVSA-N 1 0 266.404 3.730 10 0 CHAERO CSc1ccccc1O[C@@H](c1ccsc1)[C@H](C)[NH3+] ZINC000104332514 185972082 /nfs/dbraw/zinc/97/20/82/185972082.db2.gz ZSLNHBXNFRKSRP-IINYFYTJSA-N 1 0 279.430 3.937 10 0 CHAERO CCC[NH2+][C@H](c1ncccn1)[C@H]1CCCC[C@@H]1CC ZINC000104386425 185988137 /nfs/dbraw/zinc/98/81/37/185988137.db2.gz GPVDCDCOHZVKDQ-KKUMJFAQSA-N 1 0 261.413 3.734 10 0 CHAERO [NH3+]C[C@H](Oc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000104419022 185995376 /nfs/dbraw/zinc/99/53/76/185995376.db2.gz KAIDGDIHSRFMPW-AWEZNQCLSA-N 1 0 283.705 3.697 10 0 CHAERO C[C@@H]1C[C@@H]1CN(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000104422124 185996286 /nfs/dbraw/zinc/99/62/86/185996286.db2.gz SPIFSXYZPVHAAP-UKRRQHHQSA-N 1 0 260.425 3.667 10 0 CHAERO c1nc(CC[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000104440089 186003195 /nfs/dbraw/zinc/00/31/95/186003195.db2.gz CKEYRIBQDBIZLI-MJBXVCDLSA-N 1 0 264.438 3.634 10 0 CHAERO CCC(CC)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000104439491 186001961 /nfs/dbraw/zinc/00/19/61/186001961.db2.gz DESISUOUSLGUKD-LBPRGKRZSA-N 1 0 265.397 3.618 10 0 CHAERO CC[C@@H]([NH3+])[C@H](SCCCOC)c1cccc(C)c1 ZINC000104439370 186002001 /nfs/dbraw/zinc/00/20/01/186002001.db2.gz IHWXMEHPAQOSEJ-HUUCEWRRSA-N 1 0 267.438 3.543 10 0 CHAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000090770497 180038163 /nfs/dbraw/zinc/03/81/63/180038163.db2.gz IIEXZPDGBVEEDO-ZDUSSCGKSA-N 1 0 298.224 3.621 10 0 CHAERO C#[N+]c1ccc(OC(F)(F)F)c(Br)c1 ZINC000104900025 186031065 /nfs/dbraw/zinc/03/10/65/186031065.db2.gz YDNDQJMNQQOSLM-UHFFFAOYSA-N 1 0 266.016 3.898 10 0 CHAERO CC(C)[NH+](CCc1c[nH]c2ccc(O)cc12)C(C)C ZINC000091692497 180228163 /nfs/dbraw/zinc/22/81/63/180228163.db2.gz HWOLNTJLIUHEOG-UHFFFAOYSA-N 1 0 260.381 3.535 10 0 CHAERO C[C@H]([NH3+])c1c(F)cccc1N1CCc2ccccc21 ZINC000019872509 184535038 /nfs/dbraw/zinc/53/50/38/184535038.db2.gz NOQACJKCYPFYOX-NSHDSACASA-N 1 0 256.324 3.540 10 0 CHAERO [NH3+]CCc1nc(-c2cccc(Cl)c2Cl)cs1 ZINC000041656780 184551145 /nfs/dbraw/zinc/55/11/45/184551145.db2.gz MCBBZMGFEHSMIS-UHFFFAOYSA-N 1 0 273.188 3.618 10 0 CHAERO CCC[NH2+][C@H](CC)c1cc(Cl)c(OC)c(OC)c1 ZINC000037895703 184544437 /nfs/dbraw/zinc/54/44/37/184544437.db2.gz JKKFINVZGULTPQ-GFCCVEGCSA-N 1 0 271.788 3.808 10 0 CHAERO CC[C@@H]1CN(c2ccc(Cl)cc2C)[C@H](CC)C[NH2+]1 ZINC000083493755 134503508 /nfs/dbraw/zinc/50/35/08/134503508.db2.gz TWLJXPRTRCUVEW-ZIAGYGMSSA-N 1 0 266.816 3.615 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccccc1C(C)(C)C ZINC000083441546 135021552 /nfs/dbraw/zinc/02/15/52/135021552.db2.gz AZHFZOBIBZORAL-KBPBESRZSA-N 1 0 260.425 3.561 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(C)cc1C ZINC000083441702 135022050 /nfs/dbraw/zinc/02/20/50/135022050.db2.gz MIYBSKYDJFWRBO-CVEARBPZSA-N 1 0 260.425 3.516 10 0 CHAERO CC(C)[C@@H]1CN(c2cccc3ccccc32)[C@@H](C)C[NH2+]1 ZINC000083511060 135025182 /nfs/dbraw/zinc/02/51/82/135025182.db2.gz BVWBNPRVIXHFDW-YOEHRIQHSA-N 1 0 268.404 3.663 10 0 CHAERO CC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000083536435 135027154 /nfs/dbraw/zinc/02/71/54/135027154.db2.gz GCNSMPJAOGOGHS-NXEZZACHSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1cccc(Cl)c1Cl ZINC000083536509 135027582 /nfs/dbraw/zinc/02/75/82/135027582.db2.gz VHXMJCYADPORDS-UWVGGRQHSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(Cl)c(Cl)c1 ZINC000083536499 135027894 /nfs/dbraw/zinc/02/78/94/135027894.db2.gz ZDNUZWZZYSMWFV-UWVGGRQHSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1CN(c2ccc(C(C)(C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC000083541892 135028294 /nfs/dbraw/zinc/02/82/94/135028294.db2.gz LWNOXRUUVPOPNH-HOTGVXAUSA-N 1 0 274.452 3.951 10 0 CHAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(SC)cc1 ZINC000083587487 135030656 /nfs/dbraw/zinc/03/06/56/135030656.db2.gz ULWFMHPHWVBCLY-XJKSGUPXSA-N 1 0 278.465 3.621 10 0 CHAERO [NH3+]CCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000003708357 169908541 /nfs/dbraw/zinc/90/85/41/169908541.db2.gz VUCICHFVARSPFQ-UHFFFAOYSA-N 1 0 273.188 3.618 10 0 CHAERO Clc1ccc(Cl)c(OCCC[NH+]2CCCC2)c1 ZINC000005749507 170136714 /nfs/dbraw/zinc/13/67/14/170136714.db2.gz YJQYUDFPNSXMEQ-UHFFFAOYSA-N 1 0 274.191 3.858 10 0 CHAERO C[NH+](C)[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000005965164 170163285 /nfs/dbraw/zinc/16/32/85/170163285.db2.gz DXJUCAUQIHNOAF-AEFFLSMTSA-N 1 0 251.373 3.695 10 0 in-vitro CHAERO Fc1ccc(F)c(C[NH2+]Cc2c[nH]c3ccccc23)c1 ZINC000006583715 170215919 /nfs/dbraw/zinc/21/59/19/170215919.db2.gz SWWVOMVSGDPCFK-UHFFFAOYSA-N 1 0 272.298 3.736 10 0 CHAERO CCOc1ccc(C[NH2+]C(C)(C)C)cc1Br ZINC000010436528 170406645 /nfs/dbraw/zinc/40/66/45/170406645.db2.gz QTYZJSMEEXHNCE-UHFFFAOYSA-N 1 0 286.213 3.736 10 0 CHAERO [NH3+][C@@H](Cc1cccs1)Cc1ccc(Cl)cc1 ZINC000011599897 170424812 /nfs/dbraw/zinc/42/48/12/170424812.db2.gz STQKTHLGNOFMIA-GFCCVEGCSA-N 1 0 251.782 3.514 10 0 CHAERO COc1ccc(C[NH3+])cc1OCc1c(F)cccc1Cl ZINC000011863616 170450246 /nfs/dbraw/zinc/45/02/46/170450246.db2.gz BGCVDZUYSRGFOR-UHFFFAOYSA-N 1 0 295.741 3.525 10 0 CHAERO CCCCCCc1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000013536457 170559782 /nfs/dbraw/zinc/55/97/82/170559782.db2.gz NICYQFWHLYLNFE-CYBMUJFWSA-N 1 0 279.424 3.716 10 0 CHAERO CCC[NH+](CCC)[C@@H]1CCc2ccc(OC)cc2C1 ZINC000013759802 170589617 /nfs/dbraw/zinc/58/96/17/170589617.db2.gz OKVMMISWCZKJGO-MRXNPFEDSA-N 1 0 261.409 3.675 10 0 CHAERO CCC[NH+](CCC)[C@@]1(C)CCc2cccc(O)c2C1 ZINC000013819969 170598441 /nfs/dbraw/zinc/59/84/41/170598441.db2.gz GPHVJPKFUFUBDL-KRWDZBQOSA-N 1 0 261.409 3.762 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccccc2)C1 ZINC000019232375 170757668 /nfs/dbraw/zinc/75/76/68/170757668.db2.gz PJJCQLGSBTZYQG-KBMXLJTQSA-N 1 0 261.409 3.998 10 0 CHAERO [NH3+]Cc1ccc(CO[C@@H]2CCCc3ccccc32)cc1 ZINC000019278144 170770316 /nfs/dbraw/zinc/77/03/16/170770316.db2.gz WAHJNNGINNNIQE-GOSISDBHSA-N 1 0 267.372 3.740 10 0 CHAERO COc1ccc(C)cc1[C@@H]([NH3+])COC1CCC(C)CC1 ZINC000019398464 170783849 /nfs/dbraw/zinc/78/38/49/170783849.db2.gz KMSDUPDORULBJQ-PXCJXSSVSA-N 1 0 277.408 3.599 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])CO[C@H](C)CC(C)C)cc1 ZINC000019399654 170784397 /nfs/dbraw/zinc/78/43/97/170784397.db2.gz ITWPGXHMCNJEGK-CJNGLKHVSA-N 1 0 265.397 3.536 10 0 CHAERO [NH3+][C@H](Cc1nc2ccccc2s1)c1ccccc1 ZINC000019426951 170795488 /nfs/dbraw/zinc/79/54/88/170795488.db2.gz KWQFDESDSIZLCD-GFCCVEGCSA-N 1 0 254.358 3.539 10 0 CHAERO [NH3+]C[C@@H](Oc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000019670979 170835308 /nfs/dbraw/zinc/83/53/08/170835308.db2.gz UGNXTNCCUAKICL-CQSZACIVSA-N 1 0 265.715 3.558 10 0 CHAERO CCOc1ccccc1O[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000019671043 170835446 /nfs/dbraw/zinc/83/54/46/170835446.db2.gz DLXBOTXRWMRGEB-INIZCTEOSA-N 1 0 291.778 3.818 10 0 CHAERO CC[C@H](c1ccccc1)[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000019804145 170873352 /nfs/dbraw/zinc/87/33/52/170873352.db2.gz JROOBROMJDEUNR-CRAIPNDOSA-N 1 0 285.387 3.897 10 0 CHAERO CC(C)c1ccccc1OCc1ccc(C(N)=[NH2+])cc1F ZINC000019808709 170877928 /nfs/dbraw/zinc/87/79/28/170877928.db2.gz SICTVZKIVTXDPH-UHFFFAOYSA-N 1 0 286.350 3.812 10 0 CHAERO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1O ZINC000019963306 170944697 /nfs/dbraw/zinc/94/46/97/170944697.db2.gz USELFPPAEWDUSV-UKTARXLSSA-N 1 0 277.408 3.876 10 0 CHAERO CCOc1ccc([C@@H]([NH3+])C(C)(C)C)cc1OCC ZINC000019967800 170949739 /nfs/dbraw/zinc/94/97/39/170949739.db2.gz GUBKENZJSPQHDQ-CQSZACIVSA-N 1 0 251.370 3.530 10 0 CHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccccc2C(F)(F)F)C1 ZINC000019981161 170959444 /nfs/dbraw/zinc/95/94/44/170959444.db2.gz BDVSICLHTFLGIB-QKCSRTOESA-N 1 0 287.325 3.990 10 0 CHAERO CCOc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2)ccc1O ZINC000020095336 170994589 /nfs/dbraw/zinc/99/45/89/170994589.db2.gz AJFIOBZEJJQMLK-LBPRGKRZSA-N 1 0 289.350 3.781 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(O)cc1 ZINC000020121314 171000526 /nfs/dbraw/zinc/00/05/26/171000526.db2.gz WHSJXTWNSOHFJP-LRDDRELGSA-N 1 0 256.349 3.589 10 0 CHAERO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)ccc1O ZINC000020121858 171001329 /nfs/dbraw/zinc/00/13/29/171001329.db2.gz ZJKBWXPGSGLREZ-LLVKDONJSA-N 1 0 291.778 3.905 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2)c(C)c1 ZINC000020141008 171027692 /nfs/dbraw/zinc/02/76/92/171027692.db2.gz AYJIJRLYIBKSHR-HNNXBMFYSA-N 1 0 254.377 3.858 10 0 CHAERO C[C@H]([NH2+]CCCOCc1ccco1)c1ccc(F)cc1 ZINC000020147041 171034000 /nfs/dbraw/zinc/03/40/00/171034000.db2.gz VSYJDIBJVBRKBS-ZDUSSCGKSA-N 1 0 277.339 3.676 10 0 CHAERO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000020147778 171035238 /nfs/dbraw/zinc/03/52/38/171035238.db2.gz FRVYOUQGXCBEDG-SNVBAGLBSA-N 1 0 265.278 3.955 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000020206344 171071000 /nfs/dbraw/zinc/07/10/00/171071000.db2.gz XBRYSVNTCYOJGG-MJVIPROJSA-N 1 0 298.224 3.667 10 0 CHAERO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)[C@@H]1CCCO1 ZINC000020206216 171071571 /nfs/dbraw/zinc/07/15/71/171071571.db2.gz NQXIHVJUYLMNAS-XYPHTWIQSA-N 1 0 259.393 3.611 10 0 CHAERO c1ccc(-c2ccc(OCC3CC[NH2+]CC3)cc2)cc1 ZINC000020221691 171082916 /nfs/dbraw/zinc/08/29/16/171082916.db2.gz QHIAYIHFUXYGQA-UHFFFAOYSA-N 1 0 267.372 3.732 10 0 CHAERO CN(Cc1cccc(Cl)c1)[C@H](C[NH3+])c1cccs1 ZINC000020225323 171087337 /nfs/dbraw/zinc/08/73/37/171087337.db2.gz QXTLZKDYSJDCRD-CYBMUJFWSA-N 1 0 280.824 3.533 10 0 CHAERO CN(Cc1ccc(Cl)cc1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225664 171089035 /nfs/dbraw/zinc/08/90/35/171089035.db2.gz RHGKIRVYSRSPHJ-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CN(Cc1ccccc1F)[C@@H](C[NH3+])c1ccccc1Cl ZINC000020225904 171089657 /nfs/dbraw/zinc/08/96/57/171089657.db2.gz WYZDFMJTRDUWMX-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])c1ccccc1Cl ZINC000020225898 171090288 /nfs/dbraw/zinc/09/02/88/171090288.db2.gz SLVMWSWOZQQICD-KRWDZBQOSA-N 1 0 288.822 3.780 10 0 CHAERO C[C@H]([NH3+])c1cccc(OCc2ccc3ccccc3n2)c1 ZINC000020246141 171099003 /nfs/dbraw/zinc/09/90/03/171099003.db2.gz YCNYTMRMNXLCDZ-ZDUSSCGKSA-N 1 0 278.355 3.834 10 0 CHAERO c1ccc(CC[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000020246258 171099472 /nfs/dbraw/zinc/09/94/72/171099472.db2.gz CLFUUAHVODFFDX-UHFFFAOYSA-N 1 0 262.356 3.567 10 0 CHAERO Nc1cc(Cl)ccc1SCC[NH+]1CCCCC1 ZINC000020254163 171107498 /nfs/dbraw/zinc/10/74/98/171107498.db2.gz CFOVEJGFTKWKKP-UHFFFAOYSA-N 1 0 270.829 3.500 10 0 CHAERO CC[C@@H](Oc1ccccc1F)[C@H]([NH3+])c1ccccc1 ZINC000020262548 171120025 /nfs/dbraw/zinc/12/00/25/171120025.db2.gz HWXUQCARQLSBTM-GDBMZVCRSA-N 1 0 259.324 3.683 10 0 CHAERO Cc1nc(CSc2ccc(C)cc2)sc1C[NH3+] ZINC000020273810 171131126 /nfs/dbraw/zinc/13/11/26/171131126.db2.gz CJJAMCGLPQKATN-UHFFFAOYSA-N 1 0 264.419 3.511 10 0 CHAERO Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2)cc(C)c1O ZINC000020305472 171141893 /nfs/dbraw/zinc/14/18/93/171141893.db2.gz MFULNNIDSNOPBA-ZDUSSCGKSA-N 1 0 273.351 3.999 10 0 CHAERO CCCCCC[C@@](C)(CN)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020362591 171161767 /nfs/dbraw/zinc/16/17/67/171161767.db2.gz RTVIDVMNVCVMHZ-OAGGEKHMSA-N 1 0 254.462 3.652 10 0 CHAERO CCCCCC[C@@](C)(CN)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020362589 171161803 /nfs/dbraw/zinc/16/18/03/171161803.db2.gz RTVIDVMNVCVMHZ-XHSDSOJGSA-N 1 0 254.462 3.652 10 0 CHAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)CCC3)cc1C ZINC000020384813 171175319 /nfs/dbraw/zinc/17/53/19/171175319.db2.gz IIDSNLJYUZUMQH-SFHVURJKSA-N 1 0 251.373 3.840 10 0 CHAERO COc1ccc2oc([C@H]([NH3+])c3ccc(C)cc3)cc2c1 ZINC000020389604 171178979 /nfs/dbraw/zinc/17/89/79/171178979.db2.gz ULJWVEIWCHNDGR-QGZVFWFLSA-N 1 0 267.328 3.798 10 0 CHAERO Cc1ccc(-c2nn(-c3ccccc3C)cc2C[NH3+])cc1 ZINC000020390769 171179471 /nfs/dbraw/zinc/17/94/71/171179471.db2.gz WDZQIKRLZLRBHK-UHFFFAOYSA-N 1 0 277.371 3.615 10 0 CHAERO CC(C)(C)c1ccc([C@@H]([NH3+])Cc2ccccn2)cc1 ZINC000020428976 171194324 /nfs/dbraw/zinc/19/43/24/171194324.db2.gz HHVIRBYNJSGSRH-INIZCTEOSA-N 1 0 254.377 3.622 10 0 CHAERO CCOc1ccccc1[C@@H]([NH3+])c1cc(C)sc1C ZINC000020431504 171196237 /nfs/dbraw/zinc/19/62/37/171196237.db2.gz CSRRFJILLMHOJV-OAHLLOKOSA-N 1 0 261.390 3.812 10 0 CHAERO CC[C@@H]1CCCC[C@H]1Oc1ccc(C[NH3+])cc1F ZINC000020470053 171211334 /nfs/dbraw/zinc/21/13/34/171211334.db2.gz DZQSWPIZGLBUCG-TZMCWYRMSA-N 1 0 251.345 3.632 10 0 CHAERO COc1ccc(F)cc1[C@@H]([NH3+])CCC1CCCC1 ZINC000020470504 171212168 /nfs/dbraw/zinc/21/21/68/171212168.db2.gz XIIYUCDSNHNZPN-AWEZNQCLSA-N 1 0 251.345 3.805 10 0 CHAERO Cc1ccc(C)c([C@@H]([NH3+])c2cncc(Br)c2)c1 ZINC000020480954 171221526 /nfs/dbraw/zinc/22/15/26/171221526.db2.gz SOPKYQYXKLQCKL-AWEZNQCLSA-N 1 0 291.192 3.509 10 0 CHAERO CCCC[NH+](CCCC)[C@H](CN)c1cccc(F)c1 ZINC000020484734 171224661 /nfs/dbraw/zinc/22/46/61/171224661.db2.gz RNGMUFCXIVQHGC-MRXNPFEDSA-N 1 0 266.404 3.728 10 0 CHAERO CCCC[NH+](CCCC)[C@@H]1C[C@@H](CC)CC[C@@H]1N ZINC000020485381 171225279 /nfs/dbraw/zinc/22/52/79/171225279.db2.gz AINZSIPMCSOFDD-HRCADAONSA-N 1 0 254.462 3.795 10 0 CHAERO CC(C)(C)OC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000020510650 171230758 /nfs/dbraw/zinc/23/07/58/171230758.db2.gz CBLHDKIWSFMAJK-LLVKDONJSA-N 1 0 261.287 3.520 10 0 CHAERO CCC(C)(C)OC[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020511955 171231071 /nfs/dbraw/zinc/23/10/71/171231071.db2.gz LRTLRLQLNPEWTP-HNNXBMFYSA-N 1 0 265.397 3.679 10 0 CHAERO CCC(C)(C)OC[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020511953 171231306 /nfs/dbraw/zinc/23/13/06/171231306.db2.gz LRTLRLQLNPEWTP-OAHLLOKOSA-N 1 0 265.397 3.679 10 0 CHAERO Cc1ccc([C@H]([NH3+])CO[C@H]2CCC[C@@H](C)C2)c(C)c1 ZINC000020513153 171231556 /nfs/dbraw/zinc/23/15/56/171231556.db2.gz QGRAKSMEKOZJIX-ISTRZQFTSA-N 1 0 261.409 3.899 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1O[C@@H]1CCC[C@H](C)C1 ZINC000020517088 171232663 /nfs/dbraw/zinc/23/26/63/171232663.db2.gz OBZFOIXHHPYZHD-QJPTWQEYSA-N 1 0 251.345 3.803 10 0 CHAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2)cc1Cl ZINC000020521893 171234920 /nfs/dbraw/zinc/23/49/20/171234920.db2.gz BTHIQHULVSEJTQ-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO COc1ccc([C@H]([NH3+])c2cccc(F)c2)cc1Cl ZINC000020521865 171235025 /nfs/dbraw/zinc/23/50/25/171235025.db2.gz CNUGUJSTNMVRBL-CQSZACIVSA-N 1 0 265.715 3.536 10 0 CHAERO CCC[C@H](C)[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020522003 171235441 /nfs/dbraw/zinc/23/54/41/171235441.db2.gz LNVKYNXOCXFIKC-ZANVPECISA-N 1 0 286.213 3.894 10 0 CHAERO Cc1ccc(OCCC[NH2+]C2CC2)c(C(C)(C)C)c1 ZINC000020525387 171238178 /nfs/dbraw/zinc/23/81/78/171238178.db2.gz KJUUITYHOSRLDB-UHFFFAOYSA-N 1 0 261.409 3.813 10 0 CHAERO CCC[NH+](CCC)[C@@H](CN)c1ccc2ccccc2c1 ZINC000020547226 171244422 /nfs/dbraw/zinc/24/44/22/171244422.db2.gz AZOGSFDFBQLWRB-SFHVURJKSA-N 1 0 270.420 3.962 10 0 CHAERO CCC(C)(C)[C@@H]1CC[C@H](N)[C@@H]([N@@H+]2CCC[C@@H](C)C2)C1 ZINC000020548636 171245821 /nfs/dbraw/zinc/24/58/21/171245821.db2.gz KMXNUYHITSISNT-WCVJEAGWSA-N 1 0 266.473 3.651 10 0 CHAERO CCOc1ccc([C@H]([NH3+])COc2ccc(C)c(C)c2)cc1 ZINC000020557335 171250194 /nfs/dbraw/zinc/25/01/94/171250194.db2.gz ROIUSGOESZROLE-GOSISDBHSA-N 1 0 285.387 3.781 10 0 CHAERO CCOc1ccc(OC[C@@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000020562007 171252177 /nfs/dbraw/zinc/25/21/77/171252177.db2.gz RCOWMWKRHXSILL-GOSISDBHSA-N 1 0 285.387 3.781 10 0 CHAERO Cc1cc(C)cc(OC[C@@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020565387 171253943 /nfs/dbraw/zinc/25/39/43/171253943.db2.gz NQMBVFZAIPSFER-GOSISDBHSA-N 1 0 269.388 3.999 10 0 CHAERO COc1ccc(Br)cc1[C@H]([NH3+])CCC(C)C ZINC000020586588 171259338 /nfs/dbraw/zinc/25/93/38/171259338.db2.gz SKIUFGRGYBCAGV-GFCCVEGCSA-N 1 0 286.213 3.894 10 0 CHAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(SC(F)(F)F)cc1 ZINC000020594543 171263805 /nfs/dbraw/zinc/26/38/05/171263805.db2.gz IFRIBSHRCTWXCI-BKDNQFJXSA-N 1 0 261.312 3.749 10 0 CHAERO Cc1cc(F)ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595914 171264251 /nfs/dbraw/zinc/26/42/51/171264251.db2.gz JGADQEDISXQSOL-QGZVFWFLSA-N 1 0 284.378 3.821 10 0 CHAERO Fc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000020595867 171264658 /nfs/dbraw/zinc/26/46/58/171264658.db2.gz IPBPSIKVMHBMCH-QGZVFWFLSA-N 1 0 270.351 3.512 10 0 CHAERO COc1c(Cl)cc(C[NH2+]Cc2ccncc2)cc1Cl ZINC000020928595 171280350 /nfs/dbraw/zinc/28/03/50/171280350.db2.gz RKJBRYUYYBVEDV-UHFFFAOYSA-N 1 0 297.185 3.687 10 0 CHAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccccc1C(F)(F)F ZINC000021008885 171285543 /nfs/dbraw/zinc/28/55/43/171285543.db2.gz BGAMXGPJTWHHCW-VXGBXAGGSA-N 1 0 275.314 3.990 10 0 CHAERO CCCc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000021008515 171285692 /nfs/dbraw/zinc/28/56/92/171285692.db2.gz CODDECAQQLXUSU-CPUCHLNUSA-N 1 0 261.409 3.857 10 0 CHAERO CCOc1ccccc1O[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000021011527 171287015 /nfs/dbraw/zinc/28/70/15/171287015.db2.gz QIASXGNQYSSYTL-KBPBESRZSA-N 1 0 263.381 3.514 10 0 CHAERO C[C@@H]1CCCC[N@@H+]1C1(CN)CCC(c2ccccc2)CC1 ZINC000021012168 171287487 /nfs/dbraw/zinc/28/74/87/171287487.db2.gz CIPSCAWMAZLHBV-IPJUCJBFSA-N 1 0 286.463 3.916 10 0 CHAERO CCCc1ccc([C@@H]([NH3+])COc2cccc(F)c2)cc1 ZINC000021014608 171289309 /nfs/dbraw/zinc/28/93/09/171289309.db2.gz SYBAYGATCTZIRE-KRWDZBQOSA-N 1 0 273.351 3.857 10 0 CHAERO Cc1cccc([C@@H]([NH3+])c2ccc3c(c2)CCCC3)c1 ZINC000021016739 171289840 /nfs/dbraw/zinc/28/98/40/171289840.db2.gz HYJZUNUGAMVDTQ-GOSISDBHSA-N 1 0 251.373 3.922 10 0 CHAERO Cc1cc(C)c([C@H]([NH3+])COc2ccc(F)cc2F)c(C)c1 ZINC000021022773 171290796 /nfs/dbraw/zinc/29/07/96/171290796.db2.gz RJFFKOQXKMPDBA-OAHLLOKOSA-N 1 0 291.341 3.969 10 0 CHAERO CC(C)(C)C1CCC(C[NH3+])(N2CCc3ccccc32)CC1 ZINC000021037697 171292798 /nfs/dbraw/zinc/29/27/98/171292798.db2.gz WPTVSTYZEXLQSK-UHFFFAOYSA-N 1 0 286.463 3.983 10 0 CHAERO CC(C)Cc1ccc([C@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021039996 171293288 /nfs/dbraw/zinc/29/32/88/171293288.db2.gz UXHUXTYNWAXOAI-GPMSIDNRSA-N 1 0 288.479 3.863 10 0 CHAERO CC(C)[C@@H]([C@@H](N)c1ccccc1)[NH+]1CCCCCC1 ZINC000021044106 171293644 /nfs/dbraw/zinc/29/36/44/171293644.db2.gz NGMCYXPPPJSATD-IRXDYDNUSA-N 1 0 260.425 3.587 10 0 CHAERO C=COCCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000021042884 171293941 /nfs/dbraw/zinc/29/39/41/171293941.db2.gz KPKDZOGWSUHVQG-UHFFFAOYSA-N 1 0 267.372 3.993 10 0 CHAERO [NH3+][C@@H](COc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000021046792 171294435 /nfs/dbraw/zinc/29/44/35/171294435.db2.gz LVECCWSMXKRGEN-BMRMXDDPSA-N 1 0 289.394 3.748 10 0 CHAERO CC[N@H+](C[C@@H](N)c1ccc(C)cc1C)C1CCCCC1 ZINC000021047527 171294479 /nfs/dbraw/zinc/29/44/79/171294479.db2.gz YJSPVRJCCMBABU-GOSISDBHSA-N 1 0 274.452 3.958 10 0 CHAERO CCC[NH+](CCC)[C@H](C(C)C)[C@@H](N)c1ccccc1 ZINC000021054805 171295659 /nfs/dbraw/zinc/29/56/59/171295659.db2.gz BALPYWJJFDZSFH-DLBZAZTESA-N 1 0 262.441 3.833 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)CC(C)(C)C1 ZINC000021057184 171295797 /nfs/dbraw/zinc/29/57/97/171295797.db2.gz ZYDISCPQCCVMBB-OCCSQVGLSA-N 1 0 275.392 3.720 10 0 CHAERO c1csc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000021164023 171299094 /nfs/dbraw/zinc/29/90/94/171299094.db2.gz MLHLWIMYTCXXTQ-INIZCTEOSA-N 1 0 266.369 3.731 10 0 CHAERO CCCc1ccc([C@H]([NH3+])COc2ccc(F)cc2)cc1 ZINC000021504436 171307254 /nfs/dbraw/zinc/30/72/54/171307254.db2.gz UGSPRYQHVJYYFQ-QGZVFWFLSA-N 1 0 273.351 3.857 10 0 CHAERO CC(C)[C@@H]([C@@H](N)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021513429 171311204 /nfs/dbraw/zinc/31/12/04/171311204.db2.gz VQXXZKPPMIZYOW-MVJTYMMSSA-N 1 0 274.452 3.689 10 0 CHAERO CCN(CC)[C@H](C[NH2+]CCC(C)C)c1ccccc1 ZINC000021517972 171313991 /nfs/dbraw/zinc/31/39/91/171313991.db2.gz OXGPLHGKCHKZNH-QGZVFWFLSA-N 1 0 262.441 3.705 10 0 CHAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC(C)(C)C1 ZINC000021518594 171314413 /nfs/dbraw/zinc/31/44/13/171314413.db2.gz RNXUGOWDZSAXNK-HIFRSBDPSA-N 1 0 289.419 3.762 10 0 CHAERO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC000021518973 171314952 /nfs/dbraw/zinc/31/49/52/171314952.db2.gz JTMRHKBOXZWLCW-SWLSCSKDSA-N 1 0 268.832 3.577 10 0 CHAERO C[C@H]1CCCC[N@@H+]1CCCNCc1ccc(F)cc1Cl ZINC000021789460 171323493 /nfs/dbraw/zinc/32/34/93/171323493.db2.gz HMYRWLFNLCMUFA-ZDUSSCGKSA-N 1 0 298.833 3.833 10 0 CHAERO CCN(CC)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000021790800 171323955 /nfs/dbraw/zinc/32/39/55/171323955.db2.gz APHPNMVFWDKXPT-HUUCEWRRSA-N 1 0 254.462 3.523 10 0 CHAERO [NH3+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Oc1ccccc1F ZINC000021799063 171325420 /nfs/dbraw/zinc/32/54/20/171325420.db2.gz CHQMKHUIFLRNBB-LESCRADOSA-N 1 0 285.362 3.868 10 0 CHAERO [NH3+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1Oc1ccccc1F ZINC000021799056 171325551 /nfs/dbraw/zinc/32/55/51/171325551.db2.gz CHQMKHUIFLRNBB-KYJSFNMBSA-N 1 0 285.362 3.868 10 0 CHAERO [NH3+][C@H]1CCCCC[C@H]1Oc1cccc2ccccc21 ZINC000021800292 171325936 /nfs/dbraw/zinc/32/59/36/171325936.db2.gz QHYAHVDIMILDDO-DOTOQJQBSA-N 1 0 255.361 3.879 10 0 CHAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000021813870 171331072 /nfs/dbraw/zinc/33/10/72/171331072.db2.gz QNSAVNJUBXASOU-SFHVURJKSA-N 1 0 268.404 3.830 10 0 CHAERO CCC[NH+](CCC)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N ZINC000021814649 171331557 /nfs/dbraw/zinc/33/15/57/171331557.db2.gz MZCIELJBAXKSPV-FGTMMUONSA-N 1 0 274.452 3.772 10 0 CHAERO CCCc1ccc([C@H](N)C[NH+](CCC)CCC)cc1 ZINC000021815833 171331910 /nfs/dbraw/zinc/33/19/10/171331910.db2.gz KDIGYEMDFBNIPJ-QGZVFWFLSA-N 1 0 262.441 3.761 10 0 CHAERO CCN(C[C@H]([NH3+])c1ccccc1C)c1ccccc1 ZINC000022146514 171356789 /nfs/dbraw/zinc/35/67/89/171356789.db2.gz CKSSEXZVYBSCPX-KRWDZBQOSA-N 1 0 254.377 3.521 10 0 CHAERO COc1ccc(CC[NH2+]C2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022146031 171356853 /nfs/dbraw/zinc/35/68/53/171356853.db2.gz HUBDJWDBPZVUHH-VMZNBEPHSA-N 1 0 261.409 3.652 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2cc(C)ccc2C)c(C)c1 ZINC000022151941 171358935 /nfs/dbraw/zinc/35/89/35/171358935.db2.gz WBGCCKIGQGXMER-QGZVFWFLSA-N 1 0 269.388 3.999 10 0 CHAERO CC[C@H](C)c1ccccc1Oc1ccc(C[NH3+])cn1 ZINC000022218522 171376645 /nfs/dbraw/zinc/37/66/45/171376645.db2.gz IAMWYKYULQCISW-LBPRGKRZSA-N 1 0 256.349 3.846 10 0 CHAERO NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCCC1 ZINC000022221696 171378219 /nfs/dbraw/zinc/37/82/19/171378219.db2.gz OVEUSKGLFQTZBF-AWEZNQCLSA-N 1 0 286.341 3.581 10 0 CHAERO [NH3+][C@H]1c2ccccc2CCC[C@H]1Oc1ccccc1F ZINC000022566164 171391793 /nfs/dbraw/zinc/39/17/93/171391793.db2.gz BCSDTOLODYHELK-SJORKVTESA-N 1 0 271.335 3.609 10 0 CHAERO c1ccc(NNC2c3ccccc3Oc3ccccc32)[nH+]c1 ZINC000028228293 171551825 /nfs/dbraw/zinc/55/18/25/171551825.db2.gz AOKFCBWANNGGBC-UHFFFAOYSA-N 1 0 289.338 3.893 10 0 CHAERO Fc1cccc(Cl)c1COCC[C@@H]1CCCC[NH2+]1 ZINC000028522195 171561744 /nfs/dbraw/zinc/56/17/44/171561744.db2.gz GGSNYHFCSJONES-NSHDSACASA-N 1 0 271.763 3.528 10 0 CHAERO CC[NH2+][C@@H](C)c1cc(F)ccc1N(CC)C(C)C ZINC000034666877 171855259 /nfs/dbraw/zinc/85/52/59/171855259.db2.gz JSXZTXZVBFTDHH-LBPRGKRZSA-N 1 0 252.377 3.731 10 0 CHAERO CCCCCCN(CCC[NH3+])c1ccc(F)cc1 ZINC000034959946 171905318 /nfs/dbraw/zinc/90/53/18/171905318.db2.gz MQNAHVJLKLQVOE-UHFFFAOYSA-N 1 0 252.377 3.561 10 0 CHAERO CC(C)(C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000035154780 172016981 /nfs/dbraw/zinc/01/69/81/172016981.db2.gz LQEGRVNKBUEQDR-UHFFFAOYSA-N 1 0 264.369 3.837 10 0 CHAERO CCC(CC)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159863 172017631 /nfs/dbraw/zinc/01/76/31/172017631.db2.gz YHMSDWUKPJCUAY-UHFFFAOYSA-N 1 0 289.206 3.710 10 0 CHAERO COc1ccc(C)cc1C[NH2+][C@H](C)c1cccc(F)c1 ZINC000035162052 172022247 /nfs/dbraw/zinc/02/22/47/172022247.db2.gz ZLVAWMIOVINLIO-CYBMUJFWSA-N 1 0 273.351 3.994 10 0 CHAERO C[NH2+]Cc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C ZINC000035179703 172032316 /nfs/dbraw/zinc/03/23/16/172032316.db2.gz DVSSMVMJGQEPAG-UHFFFAOYSA-N 1 0 298.217 3.574 10 0 CHAERO Cc1nc2sccn2c1C[NH2+]Cc1ccccc1Cl ZINC000035255519 172085579 /nfs/dbraw/zinc/08/55/79/172085579.db2.gz TXWXYNJLBOENAU-UHFFFAOYSA-N 1 0 291.807 3.647 10 0 CHAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000035258154 172089475 /nfs/dbraw/zinc/08/94/75/172089475.db2.gz RGEDKZVYFYWEHM-GHMZBOCLSA-N 1 0 263.328 3.959 10 0 CHAERO CCc1ccc([C@@H]2C[NH2+]C[C@H](c3ccccc3)O2)cc1 ZINC000035285531 172103401 /nfs/dbraw/zinc/10/34/01/172103401.db2.gz DOJAXGUFIDYWLG-MSOLQXFVSA-N 1 0 267.372 3.651 10 0 CHAERO Cc1cc([C@H]([NH3+])c2ccc(Br)cc2)c(C)o1 ZINC000035379583 172162482 /nfs/dbraw/zinc/16/24/82/172162482.db2.gz MCZSENRCCAQPCC-CYBMUJFWSA-N 1 0 280.165 3.707 10 0 CHAERO [NH3+][C@H](c1ccc(Cl)s1)c1cc2c(s1)CCC2 ZINC000035381250 172163465 /nfs/dbraw/zinc/16/34/65/172163465.db2.gz YJSNZKCGLBEBQJ-GFCCVEGCSA-N 1 0 269.822 4.000 10 0 CHAERO Cc1ccc([C@@H]([NH3+])c2ccc(Br)o2)cc1C ZINC000035381770 172164716 /nfs/dbraw/zinc/16/47/16/172164716.db2.gz CYARTTIHEUQYOC-CYBMUJFWSA-N 1 0 280.165 3.707 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1O[C@H]1CCCC[C@H]1C ZINC000035439006 172202410 /nfs/dbraw/zinc/20/24/10/172202410.db2.gz JJASBTSYNASIQW-WZRBSPASSA-N 1 0 251.345 3.803 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(OC(F)F)cc1 ZINC000035458776 172207871 /nfs/dbraw/zinc/20/78/71/172207871.db2.gz IFIDPBYXCZTWDW-ZDUSSCGKSA-N 1 0 283.343 3.967 10 0 CHAERO CCOc1ccc([C@@H]([NH2+]C)c2ccc(C)s2)cc1 ZINC000035459384 172208568 /nfs/dbraw/zinc/20/85/68/172208568.db2.gz LJCOTLVSGWZCRS-OAHLLOKOSA-N 1 0 261.390 3.764 10 0 CHAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)c(Cl)c1 ZINC000035462153 172210719 /nfs/dbraw/zinc/21/07/19/172210719.db2.gz VZBHCUUSBPZHLN-HNNXBMFYSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000035465026 172212085 /nfs/dbraw/zinc/21/20/85/172212085.db2.gz XXRPKRPTATWYAR-CQSZACIVSA-N 1 0 294.167 3.897 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000035464525 172212318 /nfs/dbraw/zinc/21/23/18/172212318.db2.gz FNOMVWRJRIXSFB-HNNXBMFYSA-N 1 0 263.743 3.982 10 0 CHAERO C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1OC ZINC000035465111 172212481 /nfs/dbraw/zinc/21/24/81/172212481.db2.gz FJHLVUWGQVJNNU-OAHLLOKOSA-N 1 0 261.752 3.657 10 0 CHAERO C[NH2+][C@H](Cc1cccc(OC)c1)c1ccc(Cl)cc1 ZINC000035464415 172212542 /nfs/dbraw/zinc/21/25/42/172212542.db2.gz ROSACKKRYAXLMJ-MRXNPFEDSA-N 1 0 275.779 3.852 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000035464492 172212646 /nfs/dbraw/zinc/21/26/46/172212646.db2.gz VNFXUNARIIDYIS-OAHLLOKOSA-N 1 0 261.752 3.657 10 0 CHAERO C[NH2+][C@@H](CC1CCCCC1)c1ccc2c(c1)CCO2 ZINC000035467809 172216044 /nfs/dbraw/zinc/21/60/44/172216044.db2.gz IGHPZPHEAVFZPH-INIZCTEOSA-N 1 0 259.393 3.852 10 0 CHAERO C[NH2+][C@H](c1cccs1)c1cc(Cl)ccc1F ZINC000035488007 172223159 /nfs/dbraw/zinc/22/31/59/172223159.db2.gz OQXLSSXHXUJETL-LBPRGKRZSA-N 1 0 255.745 3.849 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)cc1OC)C1CCCCC1 ZINC000035488954 172223795 /nfs/dbraw/zinc/22/37/95/172223795.db2.gz CQVUJIDPSLDQPV-MRXNPFEDSA-N 1 0 263.381 3.545 10 0 CHAERO C[NH2+][C@@H](c1cc2c(s1)CCC2)c1ccc(F)c(F)c1 ZINC000035494149 172228069 /nfs/dbraw/zinc/22/80/69/172228069.db2.gz MPEWBYLSSVVRHC-OAHLLOKOSA-N 1 0 279.355 3.824 10 0 CHAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000035498177 172231168 /nfs/dbraw/zinc/23/11/68/172231168.db2.gz JITKZULKKMIPEU-LBPRGKRZSA-N 1 0 273.735 3.989 10 0 CHAERO C[NH2+][C@@H](CC(C)(C)C)c1cnn(-c2ccccc2)c1 ZINC000035500517 172234276 /nfs/dbraw/zinc/23/42/76/172234276.db2.gz JRWBBROTILVWJO-HNNXBMFYSA-N 1 0 257.381 3.569 10 0 CHAERO C[NH2+][C@@H](c1cccs1)c1cc(OC)c(OC)cc1Cl ZINC000035501200 172235701 /nfs/dbraw/zinc/23/57/01/172235701.db2.gz AQIGMHLRYQHGJB-CQSZACIVSA-N 1 0 297.807 3.728 10 0 CHAERO CCOc1ccc(Br)cc1[C@H]([NH2+]C)[C@H]1C[C@@H]1C ZINC000035505976 172239055 /nfs/dbraw/zinc/23/90/55/172239055.db2.gz OYZVPEICUQOMOA-NURSFMCSSA-N 1 0 298.224 3.764 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC)c(C)c1 ZINC000035506063 172239325 /nfs/dbraw/zinc/23/93/25/172239325.db2.gz APLRKWSQQFMWDC-OAHLLOKOSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@H](c1sccc1C)c1ccc(OC)c(C)c1 ZINC000035506060 172239395 /nfs/dbraw/zinc/23/93/95/172239395.db2.gz SKYFZJWYXCGEOE-AWEZNQCLSA-N 1 0 261.390 3.682 10 0 CHAERO CC[NH2+][C@H](Cc1ccccc1OC)c1ccccc1 ZINC000035540480 172246671 /nfs/dbraw/zinc/24/66/71/172246671.db2.gz WJAXAYQKCHPYFC-MRXNPFEDSA-N 1 0 255.361 3.589 10 0 CHAERO CC[NH2+][C@H](c1ccccc1)c1cncc(Br)c1 ZINC000035540488 172246997 /nfs/dbraw/zinc/24/69/97/172246997.db2.gz FRBNUBCAAVXAQS-CQSZACIVSA-N 1 0 291.192 3.543 10 0 CHAERO CC[NH2+][C@@H](c1ccsc1)c1cc(F)ccc1F ZINC000035543382 172251120 /nfs/dbraw/zinc/25/11/20/172251120.db2.gz ZLADRMFIRMDWQF-ZDUSSCGKSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@@H](CC(F)(F)F)c1cc(F)ccc1F ZINC000035543792 172252076 /nfs/dbraw/zinc/25/20/76/172252076.db2.gz QNQCBRYTOTWQBN-JTQLQIEISA-N 1 0 253.214 3.568 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1cc(F)cc(F)c1 ZINC000035545496 172253465 /nfs/dbraw/zinc/25/34/65/172253465.db2.gz WAWYARMNCANIND-CYBMUJFWSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc2c(c1)CCC2 ZINC000035551168 172258537 /nfs/dbraw/zinc/25/85/37/172258537.db2.gz ACZGTLLPQDANNR-KRWDZBQOSA-N 1 0 255.361 3.776 10 0 CHAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1c(Cl)cccc1Cl ZINC000035570519 172266081 /nfs/dbraw/zinc/26/60/81/172266081.db2.gz VXDAAZWLNDXWOS-NSHDSACASA-N 1 0 284.190 3.610 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035571073 172267042 /nfs/dbraw/zinc/26/70/42/172267042.db2.gz RQRCSAJEONDPNG-BXKDBHETSA-N 1 0 273.298 3.613 10 0 CHAERO CCC[NH2+][C@@H](c1ccoc1)c1cc(F)ccc1F ZINC000035580030 172275478 /nfs/dbraw/zinc/27/54/78/172275478.db2.gz XRTZPSSJFSMDTN-AWEZNQCLSA-N 1 0 251.276 3.647 10 0 CHAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)C1CCC1 ZINC000035598563 172287802 /nfs/dbraw/zinc/28/78/02/172287802.db2.gz MGDXVGRZIVXECD-HNNXBMFYSA-N 1 0 251.345 3.675 10 0 CHAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@H]1C[C@@H]1C ZINC000035598568 172288026 /nfs/dbraw/zinc/28/80/26/172288026.db2.gz RNSJOVLKTIMDQJ-WBIUFABUSA-N 1 0 251.345 3.531 10 0 CHAERO Cc1cc(Br)c2c(c1)[C@H]([NH2+]C(C)C)CCCO2 ZINC000035653785 172330557 /nfs/dbraw/zinc/33/05/57/172330557.db2.gz ICHLYFGUQBDHFK-CYBMUJFWSA-N 1 0 298.224 3.969 10 0 CHAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCOCC ZINC000035662066 172340306 /nfs/dbraw/zinc/34/03/06/172340306.db2.gz PEWGKKVMWVIZLM-UHFFFAOYSA-N 1 0 292.206 3.518 10 0 CHAERO C[NH2+][C@@H](C)c1ccccc1N(C)Cc1cccs1 ZINC000035717640 172371738 /nfs/dbraw/zinc/37/17/38/172371738.db2.gz DSTUUTCWOMNQAT-LBPRGKRZSA-N 1 0 260.406 3.665 10 0 CHAERO CC[C@@H](C)C[C@@](CC)(C[NH3+])N(C)Cc1ccsc1 ZINC000035719083 172372738 /nfs/dbraw/zinc/37/27/38/172372738.db2.gz YOYREZVYFDPOHB-HIFRSBDPSA-N 1 0 268.470 3.724 10 0 CHAERO CN(Cc1ccsc1)C1(C[NH3+])CCCCCCC1 ZINC000035719046 172372775 /nfs/dbraw/zinc/37/27/75/172372775.db2.gz UDLBMRGJTFEKCJ-UHFFFAOYSA-N 1 0 266.454 3.622 10 0 CHAERO CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)Cc1ccsc1 ZINC000035719085 172373283 /nfs/dbraw/zinc/37/32/83/172373283.db2.gz YOYREZVYFDPOHB-ZFWWWQNUSA-N 1 0 268.470 3.724 10 0 CHAERO CN(Cc1ccsc1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000035719111 172373568 /nfs/dbraw/zinc/37/35/68/172373568.db2.gz RMZYEJDTDKKVQY-AWEZNQCLSA-N 1 0 280.824 3.533 10 0 CHAERO Cc1cc(Oc2cc(C[NH3+])ccn2)cc(C)c1Cl ZINC000035719871 172374062 /nfs/dbraw/zinc/37/40/62/172374062.db2.gz KUZZJLDNEWHRJR-UHFFFAOYSA-N 1 0 262.740 3.603 10 0 CHAERO C[NH2+][C@@H](C)c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719339 172374229 /nfs/dbraw/zinc/37/42/29/172374229.db2.gz ZVLKGOLQTLCQLO-NSHDSACASA-N 1 0 278.396 3.804 10 0 CHAERO [NH3+]Cc1ccccc1Sc1ccc(F)c(F)c1 ZINC000035719916 172374721 /nfs/dbraw/zinc/37/47/21/172374721.db2.gz YWXKQNMOVLPQPL-UHFFFAOYSA-N 1 0 251.301 3.575 10 0 CHAERO [NH3+]Cc1ccnc(Sc2cc(Cl)ccc2Cl)c1 ZINC000035720059 172375076 /nfs/dbraw/zinc/37/50/76/172375076.db2.gz OOCVFMISMYZWMW-UHFFFAOYSA-N 1 0 285.199 3.998 10 0 CHAERO [NH3+]Cc1ccccc1Sc1nc2ccccc2s1 ZINC000035719986 172375140 /nfs/dbraw/zinc/37/51/40/172375140.db2.gz ATRXJDQGOMMTTC-UHFFFAOYSA-N 1 0 272.398 3.906 10 0 CHAERO [NH3+]Cc1ccc(Sc2ccccn2)cc1C(F)(F)F ZINC000035720150 172375184 /nfs/dbraw/zinc/37/51/84/172375184.db2.gz INWACGNFDZRIBO-UHFFFAOYSA-N 1 0 284.306 3.710 10 0 CHAERO [NH3+]Cc1ccc(F)c(CSc2ccc(F)c(F)c2)c1 ZINC000035722059 172377603 /nfs/dbraw/zinc/37/76/03/172377603.db2.gz WFRFVROLBUWVDJ-UHFFFAOYSA-N 1 0 283.318 3.855 10 0 CHAERO [NH3+]Cc1ccc(CSc2ccccc2F)c(F)c1 ZINC000035723123 172378352 /nfs/dbraw/zinc/37/83/52/172378352.db2.gz AMHLQSWTYNVGBI-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO [NH3+]Cc1ccc(F)c(CSc2ccc(F)cc2)c1 ZINC000035723562 172378544 /nfs/dbraw/zinc/37/85/44/172378544.db2.gz LFKWPBJVXOYEID-UHFFFAOYSA-N 1 0 265.328 3.716 10 0 CHAERO COc1cccc(S[C@@H]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC000035723280 172378957 /nfs/dbraw/zinc/37/89/57/172378957.db2.gz BMDYYEVURAYZKR-SLEUVZQESA-N 1 0 265.422 3.551 10 0 CHAERO COc1cccc(S[C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC000035723277 172378989 /nfs/dbraw/zinc/37/89/89/172378989.db2.gz BMDYYEVURAYZKR-YWPYICTPSA-N 1 0 265.422 3.551 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1cc(F)ccc1F ZINC000035725009 172379822 /nfs/dbraw/zinc/37/98/22/172379822.db2.gz QSDZYKNMZJQBOK-JOYOIKCWSA-N 1 0 257.349 3.574 10 0 CHAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1ccc2c(c1)CCC2 ZINC000035724878 172380237 /nfs/dbraw/zinc/38/02/37/172380237.db2.gz PNMUBJPCARWHMA-ZBFHGGJFSA-N 1 0 261.434 3.785 10 0 CHAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738445 172391962 /nfs/dbraw/zinc/39/19/62/172391962.db2.gz FDUJVSVJSRYWRR-CHWSQXEVSA-N 1 0 259.349 3.570 10 0 CHAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc2c(c1)OCCCO2 ZINC000035738815 172392469 /nfs/dbraw/zinc/39/24/69/172392469.db2.gz BUNUOFKZEWQIGV-OLZOCXBDSA-N 1 0 287.359 3.853 10 0 CHAERO CCC[NH2+][C@H]1C[C@H](C)Sc2ccc(OC)cc21 ZINC000035760773 172399142 /nfs/dbraw/zinc/39/91/42/172399142.db2.gz MKUQBXBVEAYPBK-GWCFXTLKSA-N 1 0 251.395 3.620 10 0 CHAERO CC[NH2+][C@@H](c1ccc(OC)cc1Cl)[C@@H]1C[C@@H]1C ZINC000036768588 172686010 /nfs/dbraw/zinc/68/60/10/172686010.db2.gz CXXWJIODYMNDRA-BHYNMZESSA-N 1 0 253.773 3.655 10 0 CHAERO COc1ccc(C2CC([NH2+][C@H](C)CC(C)C)C2)cc1 ZINC000036846284 172747262 /nfs/dbraw/zinc/74/72/62/172747262.db2.gz DFJHHLZKSMHZOA-IUDNXUCKSA-N 1 0 261.409 3.965 10 0 CHAERO CC[NH+]1CCC(Nc2c3ncsc3ccc2Cl)CC1 ZINC000036923033 172805652 /nfs/dbraw/zinc/80/56/52/172805652.db2.gz MKBMRWKBNBRHER-UHFFFAOYSA-N 1 0 295.839 3.846 10 0 CHAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccccc2SC)C1 ZINC000036957171 172827597 /nfs/dbraw/zinc/82/75/97/172827597.db2.gz ANOXJRJPRXBLJR-KGLIPLIRSA-N 1 0 278.465 3.941 10 0 CHAERO Cc1nc([C@@H](C)[NH2+]C2C3CC4CC(C3)CC2C4)cs1 ZINC000037067677 172930799 /nfs/dbraw/zinc/93/07/99/172930799.db2.gz BAMJWFGZRHRFNN-GMZQALILSA-N 1 0 276.449 3.927 10 0 CHAERO Cc1ccc(O[C@@H](C[NH3+])C(F)(F)F)c(C(C)(C)C)c1 ZINC000037169913 173004883 /nfs/dbraw/zinc/00/48/83/173004883.db2.gz HUNIOEBRAYIUPA-LBPRGKRZSA-N 1 0 275.314 3.561 10 0 CHAERO CC[C@@H](C)c1ccccc1O[C@@H](CC[NH3+])C(F)(F)F ZINC000037179253 173012921 /nfs/dbraw/zinc/01/29/21/173012921.db2.gz FODKJZIXYQRHHE-MFKMUULPSA-N 1 0 275.314 3.859 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+][C@H](C)c3ccccc3)n12 ZINC000037185731 173017703 /nfs/dbraw/zinc/01/77/03/173017703.db2.gz AVCWHVCKXZWHSW-GFCCVEGCSA-N 1 0 285.416 3.863 10 0 CHAERO OC1CCC([NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000037201963 173026068 /nfs/dbraw/zinc/02/60/68/173026068.db2.gz NDNYUGYLNQTBJF-XUJLQICISA-N 1 0 279.449 3.873 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+]C3CCCCCC3)n12 ZINC000037218308 173036920 /nfs/dbraw/zinc/03/69/20/173036920.db2.gz PIRHMRIOJRRBSJ-UHFFFAOYSA-N 1 0 277.437 3.825 10 0 CHAERO CC(C)=CCN1CCC([NH2+][C@@H](C)CCC(C)C)CC1 ZINC000037218641 173037260 /nfs/dbraw/zinc/03/72/60/173037260.db2.gz PSVBZVAJTALZQM-INIZCTEOSA-N 1 0 266.473 3.831 10 0 CHAERO CC(C)c1cccc(N[C@@H](C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000037221055 173041116 /nfs/dbraw/zinc/04/11/16/173041116.db2.gz AEKKEOPWAKARAO-HOCLYGCPSA-N 1 0 260.425 3.952 10 0 CHAERO C=COCCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000037239389 173056142 /nfs/dbraw/zinc/05/61/42/173056142.db2.gz VVLBHUPIVBBXOX-CYBMUJFWSA-N 1 0 273.298 3.820 10 0 CHAERO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)ccc1O ZINC000037254088 173065275 /nfs/dbraw/zinc/06/52/75/173065275.db2.gz BAIAUGPQBTYZNY-MBNYWOFBSA-N 1 0 263.381 3.630 10 0 CHAERO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)ccc1O ZINC000037254083 173065633 /nfs/dbraw/zinc/06/56/33/173065633.db2.gz BAIAUGPQBTYZNY-DYEKYZERSA-N 1 0 263.381 3.630 10 0 CHAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037277467 173087968 /nfs/dbraw/zinc/08/79/68/173087968.db2.gz VAQQSSHJOWLKIN-VQISRLSMSA-N 1 0 269.335 3.573 10 0 CHAERO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037303862 173108955 /nfs/dbraw/zinc/10/89/55/173108955.db2.gz WPXVOJMKBMRYIT-BBWFWOEESA-N 1 0 259.393 3.685 10 0 CHAERO Cc1ncsc1[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037303492 173109205 /nfs/dbraw/zinc/10/92/05/173109205.db2.gz LETHOSYPAFZJBO-YPMHNXCESA-N 1 0 274.389 3.626 10 0 CHAERO Cc1ccc(CN(C)[C@@H](C[NH3+])c2ccc(Cl)s2)cc1 ZINC000037328338 173128416 /nfs/dbraw/zinc/12/84/16/173128416.db2.gz CCGLGPDSIPCWLB-ZDUSSCGKSA-N 1 0 294.851 3.842 10 0 CHAERO CC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037337209 173138333 /nfs/dbraw/zinc/13/83/33/173138333.db2.gz RPBLXOYFUBESEV-DOMZBBRYSA-N 1 0 261.409 3.853 10 0 CHAERO CC[N@H+]([C@@H](C)C(=O)c1ccc(F)cc1)C1CCCC1 ZINC000037337419 173138712 /nfs/dbraw/zinc/13/87/12/173138712.db2.gz LIXPNAKKIYQMFO-LBPRGKRZSA-N 1 0 263.356 3.661 10 0 CHAERO CCc1ccc(C(=O)[C@@H](C)[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000037339099 173140697 /nfs/dbraw/zinc/14/06/97/173140697.db2.gz GUVMUASEUJPHPB-UONOGXRCSA-N 1 0 261.409 3.797 10 0 CHAERO CC(C)C[C@@](C)([NH3+])c1cccc(Br)c1 ZINC000037380143 173167091 /nfs/dbraw/zinc/16/70/91/173167091.db2.gz XBGDYHXTNOZGNS-GFCCVEGCSA-N 1 0 256.187 3.669 10 0 CHAERO Cc1ccc(C)c(Oc2ccccc2C(N)=[NH2+])c1C ZINC000037382391 173167551 /nfs/dbraw/zinc/16/75/51/173167551.db2.gz CXOVJVKSINPHHQ-UHFFFAOYSA-N 1 0 254.333 3.688 10 0 CHAERO CCCn1c2cccc(F)c2nc1[C@@](C)([NH3+])CCC ZINC000037442726 173210958 /nfs/dbraw/zinc/21/09/58/173210958.db2.gz LHKGVPFVQRPHGE-HNNXBMFYSA-N 1 0 263.360 3.559 10 0 CHAERO C[NH2+][C@@H](c1ccc(OC)cc1Br)C1CCCC1 ZINC000037445107 173211877 /nfs/dbraw/zinc/21/18/77/173211877.db2.gz GMSAFTDBVKGLNT-CQSZACIVSA-N 1 0 298.224 3.908 10 0 CHAERO [NH3+][C@@H](Cc1cccc(Br)c1)C1CCCC1 ZINC000037466993 173226429 /nfs/dbraw/zinc/22/64/29/173226429.db2.gz DKSJKZASEMNSMB-ZDUSSCGKSA-N 1 0 268.198 3.509 10 0 CHAERO Clc1cccc(Cl)c1OCCC[NH2+]C1CC1 ZINC000037470379 173227097 /nfs/dbraw/zinc/22/70/97/173227097.db2.gz KZLJYAXDKVKQBB-UHFFFAOYSA-N 1 0 260.164 3.514 10 0 CHAERO COc1ccc([C@@](C)([NH3+])c2ccc(Cl)cc2)cc1 ZINC000037529694 173252819 /nfs/dbraw/zinc/25/28/19/173252819.db2.gz XOVNCWYWZYHHHJ-HNNXBMFYSA-N 1 0 261.752 3.571 10 0 CHAERO Cc1ccc([C@](C)([NH3+])c2cccc(Br)c2)cc1 ZINC000037529750 173252973 /nfs/dbraw/zinc/25/29/73/173252973.db2.gz NODMMJIVNIODDV-HNNXBMFYSA-N 1 0 290.204 3.980 10 0 CHAERO [NH3+][C@H](CCOc1ccccc1)Cc1cccc(Cl)c1 ZINC000037533061 173254086 /nfs/dbraw/zinc/25/40/86/173254086.db2.gz QGDDLLHNJWPYRD-OAHLLOKOSA-N 1 0 275.779 3.679 10 0 CHAERO CCC[NH2+][C@@H](Cc1ccccc1F)c1ccncc1 ZINC000037534699 173254356 /nfs/dbraw/zinc/25/43/56/173254356.db2.gz CEAMJIYEZGCJBB-INIZCTEOSA-N 1 0 258.340 3.504 10 0 CHAERO CC[NH2+][C@H](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000037534308 173254434 /nfs/dbraw/zinc/25/44/34/173254434.db2.gz JWZSTAGCQHEAFY-QGZVFWFLSA-N 1 0 257.352 3.589 10 0 CHAERO CCc1ccc(COc2cccc(C[C@H](C)[NH3+])c2)s1 ZINC000037726533 173645088 /nfs/dbraw/zinc/64/50/88/173645088.db2.gz YEKZMWDQWZGGMU-LBPRGKRZSA-N 1 0 275.417 3.779 10 0 CHAERO CC[C@H](C)Oc1ccc2ccccc2c1C[C@H](C)[NH3+] ZINC000037727443 173646228 /nfs/dbraw/zinc/64/62/28/173646228.db2.gz LDCFJCRPNNYZSP-STQMWFEESA-N 1 0 257.377 3.907 10 0 CHAERO CCC[NH2+][C@H](CC)c1ccccc1OCC(F)F ZINC000037755514 173678654 /nfs/dbraw/zinc/67/86/54/173678654.db2.gz AYFSCCZMBNBTDO-GFCCVEGCSA-N 1 0 257.324 3.781 10 0 CHAERO Brc1ccc(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)s1 ZINC000038018358 173993407 /nfs/dbraw/zinc/99/34/07/173993407.db2.gz ACANOXRQWJDOID-DVVUODLYSA-N 1 0 284.222 3.565 10 0 CHAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1 ZINC000038028224 174016216 /nfs/dbraw/zinc/01/62/16/174016216.db2.gz HXJADEKKCUVIDZ-SJORKVTESA-N 1 0 274.452 3.828 10 0 CHAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c1 ZINC000038028226 174016726 /nfs/dbraw/zinc/01/67/26/174016726.db2.gz HXJADEKKCUVIDZ-IRXDYDNUSA-N 1 0 274.452 3.828 10 0 CHAERO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc2c(c1)CCC2 ZINC000038028790 174018503 /nfs/dbraw/zinc/01/85/03/174018503.db2.gz OJVOIFYAVIONJR-JKSUJKDBSA-N 1 0 286.463 3.700 10 0 CHAERO CCc1ccc([C@H](C)[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032690 174028201 /nfs/dbraw/zinc/02/82/01/174028201.db2.gz FEGSDZAIHKEKQP-AWEZNQCLSA-N 1 0 280.415 3.951 10 0 CHAERO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032635 174028300 /nfs/dbraw/zinc/02/83/00/174028300.db2.gz UBEFWMWDFRWMJK-BLLLJJGKSA-N 1 0 282.387 3.544 10 0 CHAERO COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCCOC3)oc21 ZINC000038044509 174052057 /nfs/dbraw/zinc/05/20/57/174052057.db2.gz DRMQTTPNJOIGBF-CHWSQXEVSA-N 1 0 289.375 3.519 10 0 CHAERO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)c(Cl)c1 ZINC000038044511 174052346 /nfs/dbraw/zinc/05/23/46/174052346.db2.gz FYGVYNXKZABRFS-MNOVXSKESA-N 1 0 271.763 3.556 10 0 CHAERO CCn1c(C[NH2+][C@@H](C)c2cccs2)nc2ccccc21 ZINC000038046680 174055238 /nfs/dbraw/zinc/05/52/38/174055238.db2.gz UUEQWAQRLKSWSA-LBPRGKRZSA-N 1 0 285.416 3.969 10 0 CHAERO [NH3+][C@H](CCC1CCCC1)c1ccc2c(c1)CCCO2 ZINC000038057822 174068136 /nfs/dbraw/zinc/06/81/36/174068136.db2.gz POADPJQGUFSJSC-MRXNPFEDSA-N 1 0 259.393 3.982 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070086 174081070 /nfs/dbraw/zinc/08/10/70/174081070.db2.gz MDZYCLYMEGSDIF-QGZVFWFLSA-N 1 0 254.377 3.829 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000038072946 174083373 /nfs/dbraw/zinc/08/33/73/174083373.db2.gz YXHPHHPGGIPORO-MRXNPFEDSA-N 1 0 253.345 3.698 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc(OC)cc2C)cc1 ZINC000038072698 174083501 /nfs/dbraw/zinc/08/35/01/174083501.db2.gz TYIWFDNPLZBWAZ-UHFFFAOYSA-N 1 0 255.361 3.780 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccc(OC)c(C)c2)cc1 ZINC000038073615 174083761 /nfs/dbraw/zinc/08/37/61/174083761.db2.gz GRLMWXXXXCRPEA-UHFFFAOYSA-N 1 0 255.361 3.780 10 0 CHAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(OC)c(F)c2)c1 ZINC000038073714 174083915 /nfs/dbraw/zinc/08/39/15/174083915.db2.gz AJUYLOVDQQDYAO-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO Cc1cc(C)cc(C[C@@](C)([NH3+])c2ccccc2F)c1 ZINC000038077125 174087552 /nfs/dbraw/zinc/08/75/52/174087552.db2.gz PWPUPJSTFLEORO-QGZVFWFLSA-N 1 0 257.352 3.859 10 0 CHAERO Cc1cc(C)cc(COc2cccc([C@H](C)[NH3+])c2)c1 ZINC000038076662 174087668 /nfs/dbraw/zinc/08/76/68/174087668.db2.gz HYPTYSBFDLHVQE-AWEZNQCLSA-N 1 0 255.361 3.902 10 0 CHAERO Cc1cc(C)cc(COc2ccccc2[C@@H](C)[NH3+])c1 ZINC000038076655 174087755 /nfs/dbraw/zinc/08/77/55/174087755.db2.gz IUWOOGUYVIUHPC-CQSZACIVSA-N 1 0 255.361 3.902 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000038092402 174106279 /nfs/dbraw/zinc/10/62/79/174106279.db2.gz GMHROHVFBOUILV-UGFHNGPFSA-N 1 0 267.800 3.684 10 0 CHAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000038095841 174109691 /nfs/dbraw/zinc/10/96/91/174109691.db2.gz DUTWNMRBEZGYDJ-ZYHUDNBSSA-N 1 0 271.763 3.699 10 0 CHAERO C[N@H+]1Cc2sc(Cl)cc2[C@H](c2ccccc2)C1 ZINC000038157540 174134599 /nfs/dbraw/zinc/13/45/99/174134599.db2.gz OGVSUHXTKAMGTR-LBPRGKRZSA-N 1 0 263.793 3.979 10 0 CHAERO OC[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000039174551 174165233 /nfs/dbraw/zinc/16/52/33/174165233.db2.gz CHORGEUAVDKAHW-WOJBJXKFSA-N 1 0 295.426 3.817 10 0 CHAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH+]2CCCCC2)CC1 ZINC000039213999 174166401 /nfs/dbraw/zinc/16/64/01/174166401.db2.gz AUNPTDJMONAAJN-ZDUSSCGKSA-N 1 0 254.377 3.511 10 0 CHAERO C[NH+](C)[C@@H]1CCc2[nH]c3c(cc(Cl)cc3Cl)c2C1 ZINC000039214029 174166443 /nfs/dbraw/zinc/16/64/43/174166443.db2.gz GFLRNVCGCDQCQA-SECBINFHSA-N 1 0 283.202 3.894 10 0 CHAERO CCN(CC)[C@@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000039789191 174173119 /nfs/dbraw/zinc/17/31/19/174173119.db2.gz KCPUFGQXDMCDOM-IBGZPJMESA-N 1 0 298.430 3.607 10 0 CHAERO C[C@@H]1CCC[C@H](C)N1[C@@H](C[NH3+])c1ccccc1Cl ZINC000039789078 174173544 /nfs/dbraw/zinc/17/35/44/174173544.db2.gz ZXDDCMLWQKXSQE-ZOWXZIJZSA-N 1 0 266.816 3.603 10 0 CHAERO C[C@H]1CCC[C@@H](OC[C@H]([NH3+])c2cc(F)ccc2F)C1 ZINC000040177348 174202127 /nfs/dbraw/zinc/20/21/27/174202127.db2.gz HIGAIENNXPVYSK-NVBFEUDRSA-N 1 0 269.335 3.560 10 0 CHAERO C[C@H]1CCC[C@H](OC[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000040177342 174202443 /nfs/dbraw/zinc/20/24/43/174202443.db2.gz ZUHOOTSORCNMMI-MJVIPROJSA-N 1 0 269.335 3.560 10 0 CHAERO CC[NH+](CC)CCn1c(C2CC2)nc2cccc(Cl)c21 ZINC000040405494 174254140 /nfs/dbraw/zinc/25/41/40/174254140.db2.gz OBILHPAOOWXOTD-UHFFFAOYSA-N 1 0 291.826 3.909 10 0 CHAERO CC(C)(C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000040544281 174324106 /nfs/dbraw/zinc/32/41/06/174324106.db2.gz AEJUEVXTIQSGBK-UHFFFAOYSA-N 1 0 261.287 3.516 10 0 CHAERO COc1ccc(C(C)(C)C)cc1[C@H](CC[NH3+])C1CC1 ZINC000041352356 174531206 /nfs/dbraw/zinc/53/12/06/174531206.db2.gz OWXFNAKDXDBGCK-CQSZACIVSA-N 1 0 261.409 3.835 10 0 CHAERO COc1ccc(C[C@H](C[NH3+])Cc2ccc(C)cc2)cc1F ZINC000041463989 174556402 /nfs/dbraw/zinc/55/64/02/174556402.db2.gz QUHDISFCCNBQFC-MRXNPFEDSA-N 1 0 287.378 3.503 10 0 CHAERO [NH3+]C[C@@H](Cc1ccc(F)cc1)Cc1c(F)cccc1Cl ZINC000041485568 174561032 /nfs/dbraw/zinc/56/10/32/174561032.db2.gz XHVWTKDTPRNAMJ-LBPRGKRZSA-N 1 0 295.760 3.978 10 0 CHAERO CC(C)COCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042329127 174687133 /nfs/dbraw/zinc/68/71/33/174687133.db2.gz GEPNYXXAYQECAD-OAHLLOKOSA-N 1 0 267.438 3.852 10 0 CHAERO [NH3+][C@H](Cc1ccccn1)c1csc2ccccc21 ZINC000042891615 174902426 /nfs/dbraw/zinc/90/24/26/174902426.db2.gz LJDADWSRIOHJIT-CQSZACIVSA-N 1 0 254.358 3.539 10 0 CHAERO [NH3+]C[C@H](Oc1ccccc1C(F)(F)F)c1ccccc1 ZINC000042899650 174905347 /nfs/dbraw/zinc/90/53/47/174905347.db2.gz HEPYQMWVBZUHFG-AWEZNQCLSA-N 1 0 281.277 3.784 10 0 CHAERO C[C@H]([NH3+])[C@H](OC1CCCCCC1)c1ccc(F)cc1 ZINC000042942656 174918322 /nfs/dbraw/zinc/91/83/22/174918322.db2.gz SKECDCKFLHYJMI-LRDDRELGSA-N 1 0 265.372 3.953 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Sc1ccccn1)c1ccc(F)cc1 ZINC000042943196 174918888 /nfs/dbraw/zinc/91/88/88/174918888.db2.gz BBCIIQYCYVCEPV-ZFWWWQNUSA-N 1 0 276.380 3.791 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Sc1nncs1)c1ccc(Cl)cc1 ZINC000042950497 174923691 /nfs/dbraw/zinc/92/36/91/174923691.db2.gz IMQHJCDVEVKTRS-QWRGUYRKSA-N 1 0 299.852 3.762 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](OCC1CC1)c1ccc(Br)cc1 ZINC000042957752 174924644 /nfs/dbraw/zinc/92/46/44/174924644.db2.gz QVRSZRAETFHSEN-KGLIPLIRSA-N 1 0 298.224 3.654 10 0 CHAERO COc1ccc([C@@H](Sc2nc(C)cs2)[C@@H](C)[NH3+])cc1 ZINC000042964734 174928153 /nfs/dbraw/zinc/92/81/53/174928153.db2.gz HXMMAXNYNPCRMN-MFKMUULPSA-N 1 0 294.445 3.641 10 0 CHAERO CCC[NH+](CCC)[C@@H](c1cccc(C)c1)[C@H](N)CC ZINC000042965525 174928657 /nfs/dbraw/zinc/92/86/57/174928657.db2.gz YMGIRQWRJKMYOT-SJORKVTESA-N 1 0 262.441 3.895 10 0 CHAERO CCCCCO[C@H](c1cccc(OC)c1)[C@H]([NH3+])CC ZINC000043031080 174948869 /nfs/dbraw/zinc/94/88/69/174948869.db2.gz ZPWUDRQGONNYLA-HZPDHXFCSA-N 1 0 265.397 3.680 10 0 CHAERO C[C@@H](O[C@H](C[NH3+])c1ccccc1F)c1ccccc1 ZINC000043047823 174957317 /nfs/dbraw/zinc/95/73/17/174957317.db2.gz TWVHGBGTYNJPBO-MLGOLLRUSA-N 1 0 259.324 3.603 10 0 CHAERO C[C@H]([NH3+])[C@@H](OC1CCCCCC1)c1ccccc1F ZINC000043048785 174957349 /nfs/dbraw/zinc/95/73/49/174957349.db2.gz OICBAQYMTWYNQB-BLLLJJGKSA-N 1 0 265.372 3.953 10 0 CHAERO COc1ccccc1S[C@@H](C[NH3+])c1ccccc1F ZINC000043050389 174958260 /nfs/dbraw/zinc/95/82/60/174958260.db2.gz PUCBZIMRCAZULL-HNNXBMFYSA-N 1 0 277.364 3.626 10 0 CHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CC)CC ZINC000043090379 174963947 /nfs/dbraw/zinc/96/39/47/174963947.db2.gz BXXPDVNPGPBFLK-UONOGXRCSA-N 1 0 299.256 3.569 10 0 CHAERO C[C@@H]([NH3+])[C@H](Oc1cccc(Cl)c1)c1cccs1 ZINC000043108596 174973576 /nfs/dbraw/zinc/97/35/76/174973576.db2.gz QVIZGSPZJNSYSB-RNCFNFMXSA-N 1 0 267.781 3.869 10 0 CHAERO CCc1cccc(O[C@@H](c2cccs2)[C@H](C)[NH3+])c1 ZINC000043110074 174973824 /nfs/dbraw/zinc/97/38/24/174973824.db2.gz BEXIATPPZIDUDU-XHDPSFHLSA-N 1 0 261.390 3.778 10 0 CHAERO COc1cccc(S[C@H](C[NH3+])c2cccs2)c1 ZINC000043112728 174975000 /nfs/dbraw/zinc/97/50/00/174975000.db2.gz SWXZYIRHWCKLQA-CYBMUJFWSA-N 1 0 265.403 3.549 10 0 CHAERO C[C@@H]([NH3+])[C@H](Sc1nc2ccccc2[nH]1)c1cccs1 ZINC000043112908 174975100 /nfs/dbraw/zinc/97/51/00/174975100.db2.gz KMKWRKUIKZFZKG-RNCFNFMXSA-N 1 0 289.429 3.805 10 0 CHAERO CC[C@@H](C)Oc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]C ZINC000043460240 175051296 /nfs/dbraw/zinc/05/12/96/175051296.db2.gz GBNYNMCNORNGSX-BXUZGUMPSA-N 1 0 263.381 3.686 10 0 CHAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043476888 175054873 /nfs/dbraw/zinc/05/48/73/175054873.db2.gz AUXLQIXRYRTFGU-MFKMUULPSA-N 1 0 253.773 3.714 10 0 CHAERO Cc1ccc([C@H](O)C[N@@H+](C)C2CCCCC2)cc1C ZINC000043501822 175058692 /nfs/dbraw/zinc/05/86/92/175058692.db2.gz FQSZLWLQUKFRFY-QGZVFWFLSA-N 1 0 261.409 3.601 10 0 CHAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1CCOCC ZINC000043649918 175085514 /nfs/dbraw/zinc/08/55/14/175085514.db2.gz KIDXYNWEJAENGC-WBVHZDCISA-N 1 0 261.409 3.716 10 0 CHAERO CC[NH2+][C@@H](CC)CCc1cc(Br)cs1 ZINC000043688049 175094973 /nfs/dbraw/zinc/09/49/73/175094973.db2.gz JOVXBYWJXQCLGE-JTQLQIEISA-N 1 0 276.243 3.831 10 0 CHAERO C[NH2+][C@H]1CCCC[C@H]1Cc1cc(Br)cs1 ZINC000043688110 175095644 /nfs/dbraw/zinc/09/56/44/175095644.db2.gz GYECACOETOCODF-CABZTGNLSA-N 1 0 288.254 3.831 10 0 CHAERO Cc1ccc([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121717 175143230 /nfs/dbraw/zinc/14/32/30/175143230.db2.gz CIAZBFBNTVVFDO-UXLLHSPISA-N 1 0 261.409 3.600 10 0 CHAERO CC[NH2+][C@H]1CC(C)(C)Oc2cc(OCC(C)C)ccc21 ZINC000044421765 175174436 /nfs/dbraw/zinc/17/44/36/175174436.db2.gz KXHVBGQVBPQJJZ-HNNXBMFYSA-N 1 0 277.408 3.933 10 0 CHAERO CCN[C@H](C)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000044471747 175178239 /nfs/dbraw/zinc/17/82/39/175178239.db2.gz SBQGULKKCJIHLC-OAHLLOKOSA-N 1 0 266.473 3.952 10 0 CHAERO [NH3+][C@H](CCOc1ccccc1)c1cccc(Cl)c1 ZINC000044568681 175209126 /nfs/dbraw/zinc/20/91/26/175209126.db2.gz UZUBRPMSSBXERW-OAHLLOKOSA-N 1 0 261.752 3.809 10 0 CHAERO Cc1cnc([C@H]([NH2+]Cc2ccccc2)C2CC2)s1 ZINC000045206233 175327643 /nfs/dbraw/zinc/32/76/43/175327643.db2.gz CCMGNLRXDKJOSG-CQSZACIVSA-N 1 0 258.390 3.692 10 0 CHAERO C[C@@H](C(=O)c1cccc(Cl)c1)[N@H+](C)C(C)(C)C ZINC000045302420 175354820 /nfs/dbraw/zinc/35/48/20/175354820.db2.gz BJLKZFUZNNATGZ-JTQLQIEISA-N 1 0 253.773 3.642 10 0 in-vitro CHAERO CC(C)c1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000045945491 175387852 /nfs/dbraw/zinc/38/78/52/175387852.db2.gz YCJRCUJCLSHJJK-UHFFFAOYSA-N 1 0 284.403 3.764 10 0 CHAERO C[C@H]1CCC[C@@H]([NH2+]CCOc2cc(F)ccc2F)C1 ZINC000071168929 176049932 /nfs/dbraw/zinc/04/99/32/176049932.db2.gz HDYUTZDTXQZRIQ-WCQYABFASA-N 1 0 269.335 3.512 10 0 CHAERO COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]2C)C2CC2)cc1 ZINC000071206591 176080542 /nfs/dbraw/zinc/08/05/42/176080542.db2.gz UNKORGXEOIDJRH-AFAVFJNCSA-N 1 0 259.393 3.925 10 0 CHAERO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000071206705 176080593 /nfs/dbraw/zinc/08/05/93/176080593.db2.gz YGZIXDMBZFQZPN-MAZHCROVSA-N 1 0 259.393 3.851 10 0 CHAERO CCCN([C@@H](c1cccs1)C(C)C)[C@H]1CC[NH2+]C1 ZINC000071315045 176121516 /nfs/dbraw/zinc/12/15/16/176121516.db2.gz DNKXINKHNFPUCH-DZGCQCFKSA-N 1 0 266.454 3.519 10 0 CHAERO CC[C@H](C)COc1ccc(C[NH2+]C)cc1C(F)(F)F ZINC000071398515 176151780 /nfs/dbraw/zinc/15/17/80/176151780.db2.gz OLTWZYHAAKEPAI-JTQLQIEISA-N 1 0 275.314 3.850 10 0 CHAERO CC[NH2+][C@H](CC)C(=O)c1cc(C(C)(C)C)ccc1C ZINC000071587969 176215577 /nfs/dbraw/zinc/21/55/77/176215577.db2.gz IXZWJRMYIXJSAL-OAHLLOKOSA-N 1 0 261.409 3.863 10 0 CHAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2c1ccccc1OC ZINC000071651997 176241594 /nfs/dbraw/zinc/24/15/94/176241594.db2.gz QVAWYZXJPKINDN-SFHVURJKSA-N 1 0 297.398 3.674 10 0 CHAERO C[C@H](CC[NH2+]C1CC1)c1cc(Br)ccc1F ZINC000076497725 177029638 /nfs/dbraw/zinc/02/96/38/177029638.db2.gz ZXNOGPLMPHHWKX-SECBINFHSA-N 1 0 286.188 3.834 10 0 CHAERO COc1ccc(C2(C[NH3+])CC3(C2)CCCCC3)cc1OC ZINC000076529894 177034455 /nfs/dbraw/zinc/03/44/55/177034455.db2.gz CPLJREPOIIXXJJ-UHFFFAOYSA-N 1 0 289.419 3.645 10 0 CHAERO COc1ccc(Cl)cc1[C@H](CC[NH3+])CC(C)C ZINC000076661480 177049144 /nfs/dbraw/zinc/04/91/44/177049144.db2.gz ZNZYZYCHYINEAO-LLVKDONJSA-N 1 0 255.789 3.827 10 0 CHAERO Cc1ccc(C)c([C@@H](CC[NH3+])CCc2ccco2)c1 ZINC000076664947 177050417 /nfs/dbraw/zinc/05/04/17/177050417.db2.gz NINMWUKRTSIIEW-OAHLLOKOSA-N 1 0 257.377 3.962 10 0 CHAERO [NH3+]CC[C@H](CCc1ccc(F)cc1)c1cccs1 ZINC000076678403 177056827 /nfs/dbraw/zinc/05/68/27/177056827.db2.gz FBJKPZLKIZDELM-ZDUSSCGKSA-N 1 0 263.381 3.952 10 0 CHAERO CCSc1ccc([C@@H](CC[NH3+])c2ccncc2)cc1 ZINC000076715413 177068697 /nfs/dbraw/zinc/06/86/97/177068697.db2.gz VKVRWWCEEYYDQT-MRXNPFEDSA-N 1 0 272.417 3.674 10 0 CHAERO CCSc1ccc([C@@H](CC[NH3+])c2cccnc2)cc1 ZINC000076715410 177068752 /nfs/dbraw/zinc/06/87/52/177068752.db2.gz PDHMZTNIMZCJTK-MRXNPFEDSA-N 1 0 272.417 3.674 10 0 CHAERO CCC[NH2+]CCc1csc(-c2cccc(C)c2)n1 ZINC000076783372 177091301 /nfs/dbraw/zinc/09/13/01/177091301.db2.gz LTQQHCGYSPPDGF-UHFFFAOYSA-N 1 0 260.406 3.661 10 0 CHAERO CC[NH2+][C@H](C)c1csc(Cc2ccccc2F)n1 ZINC000076784501 177091817 /nfs/dbraw/zinc/09/18/17/177091817.db2.gz DENOUBASGIVTFQ-SNVBAGLBSA-N 1 0 264.369 3.544 10 0 CHAERO COCc1c2cc(C)ccc2oc1C[NH2+]CC(C)C ZINC000077069240 177184201 /nfs/dbraw/zinc/18/42/01/177184201.db2.gz AZRZRTZZYSAVRD-UHFFFAOYSA-N 1 0 261.365 3.633 10 0 CHAERO COCc1c2cc(C)cc(C)c2oc1C[NH2+]C(C)C ZINC000077071098 177186795 /nfs/dbraw/zinc/18/67/95/177186795.db2.gz JGRJEDXWYXIMOJ-UHFFFAOYSA-N 1 0 261.365 3.694 10 0 CHAERO COc1ccc(C)cc1[C@@H]([NH3+])c1c(C)oc(C)c1C ZINC000077088681 177212389 /nfs/dbraw/zinc/21/23/89/177212389.db2.gz PRDMEKYGUVNLCZ-MRXNPFEDSA-N 1 0 259.349 3.570 10 0 CHAERO Cc1cc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c(C)o1 ZINC000037167326 260072014 /nfs/dbraw/zinc/07/20/14/260072014.db2.gz IKVMESVNXYJLGB-DZGCQCFKSA-N 1 0 266.429 3.523 10 0 CHAERO C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCS1 ZINC000171699603 335075189 /nfs/dbraw/zinc/07/51/89/335075189.db2.gz SBJUERYZUFRMKY-GFCCVEGCSA-N 1 0 290.457 3.747 10 0 CHAERO c1ccc2c(c1)CCc1ccccc1C2[NH2+][C@H]1CCCOC1 ZINC000180491802 260103630 /nfs/dbraw/zinc/10/36/30/260103630.db2.gz DBFGMNVATROZDF-KRWDZBQOSA-N 1 0 293.410 3.643 10 0 CHAERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000089216475 260130735 /nfs/dbraw/zinc/13/07/35/260130735.db2.gz ARLBQEPHTNVVRD-SRVKXCTJSA-N 1 0 286.872 3.781 10 0 CHAERO CCCCC1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000070176570 260153372 /nfs/dbraw/zinc/15/33/72/260153372.db2.gz OYNHFBHMWAAMTJ-OTBWCIGPSA-N 1 0 294.483 3.569 10 0 CHAERO CC(C)(C)[C@H](O)C[NH2+]Cc1csc(Cl)c1Cl ZINC000309336032 260154173 /nfs/dbraw/zinc/15/41/73/260154173.db2.gz JBVUSGJYBKAXKF-MRVPVSSYSA-N 1 0 282.236 3.552 10 0 CHAERO C[C@@H]([NH2+]C1CC(c2ccccc2F)C1)c1nccs1 ZINC000080265436 260179290 /nfs/dbraw/zinc/17/92/90/260179290.db2.gz VYRGXTYDKLGOQL-VOMCLLRMSA-N 1 0 276.380 3.879 10 0 CHAERO CCC(CC)[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)c1ccccc1 ZINC000087522539 260187089 /nfs/dbraw/zinc/18/70/89/260187089.db2.gz OFISONNDKYDLCO-IAGOWNOFSA-N 1 0 290.451 3.511 10 0 CHAERO [NH3+][C@H](c1cc(Cl)ccc1Br)C1CC1 ZINC000095682677 260195737 /nfs/dbraw/zinc/19/57/37/260195737.db2.gz DKKSONHIYWESJP-JTQLQIEISA-N 1 0 260.562 3.512 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)C[C@@H]1C ZINC000085039279 260198035 /nfs/dbraw/zinc/19/80/35/260198035.db2.gz JUCQQDGOHRARGQ-ORIJERBGSA-N 1 0 286.419 3.509 10 0 CHAERO COc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1Cl ZINC000086586155 260208726 /nfs/dbraw/zinc/20/87/26/260208726.db2.gz PBPHAHUOAGVVEN-AWEZNQCLSA-N 1 0 289.762 3.572 10 0 CHAERO CC1CCC(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000089575588 260237774 /nfs/dbraw/zinc/23/77/74/260237774.db2.gz VYFRTFPXPCVJTG-JCYILVPMSA-N 1 0 290.451 3.832 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](CCC1CCCCC1)CC2 ZINC000311363196 260243583 /nfs/dbraw/zinc/24/35/83/260243583.db2.gz CDHNYLMWKNQVRY-SJORKVTESA-N 1 0 265.441 3.584 10 0 CHAERO CCCn1ccc(C[NH2+]CCc2cc(F)cc(F)c2)c1 ZINC000091013321 260264600 /nfs/dbraw/zinc/26/46/00/260264600.db2.gz LWIKYUUTQFLYKX-UHFFFAOYSA-N 1 0 278.346 3.509 10 0 CHAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(OC)cc2)c1 ZINC000091016046 260264632 /nfs/dbraw/zinc/26/46/32/260264632.db2.gz OLYCERGRZVFGGX-CQSZACIVSA-N 1 0 272.392 3.758 10 0 CHAERO CCCn1ccc(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000091011405 260264644 /nfs/dbraw/zinc/26/46/44/260264644.db2.gz ZIATZPWIZYDOBO-INIZCTEOSA-N 1 0 270.376 3.512 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000091011411 260264694 /nfs/dbraw/zinc/26/46/94/260264694.db2.gz IKSSTNZOZXZJGW-ZDUSSCGKSA-N 1 0 290.382 3.897 10 0 CHAERO CCCn1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2OC)c1 ZINC000091011540 260264823 /nfs/dbraw/zinc/26/48/23/260264823.db2.gz CBTMOZLMZNTBRK-ZDUSSCGKSA-N 1 0 290.382 3.897 10 0 CHAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000091023681 260265195 /nfs/dbraw/zinc/26/51/95/260265195.db2.gz DCHYPYQMUHSBBZ-NSHDSACASA-N 1 0 264.319 3.637 10 0 CHAERO Fc1ccc(CN[C@H]2COc3ccccc32)cc1Cl ZINC000129014363 260380513 /nfs/dbraw/zinc/38/05/13/260380513.db2.gz AZSDUZWUCMNQCR-AWEZNQCLSA-N 1 0 277.726 3.702 10 0 CHAERO COCCC1(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000300414468 260957615 /nfs/dbraw/zinc/95/76/15/260957615.db2.gz MLILZSVDQDVCLH-OWCLPIDISA-N 1 0 267.457 3.854 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1Br ZINC000148877691 260966448 /nfs/dbraw/zinc/96/64/48/260966448.db2.gz GSRRFBROQFPEFW-UTUOFQBUSA-N 1 0 298.224 3.667 10 0 CHAERO Cc1ncsc1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161618515 261099318 /nfs/dbraw/zinc/09/93/18/261099318.db2.gz LKFSIYHXFDBZAZ-CYBMUJFWSA-N 1 0 288.416 3.844 10 0 CHAERO c1coc([C@@H]([NH2+]CCc2ccncc2)c2ccccc2)c1 ZINC000052684674 261115439 /nfs/dbraw/zinc/11/54/39/261115439.db2.gz LCJWANZZHPXMQH-SFHVURJKSA-N 1 0 278.355 3.596 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000175172690 261210607 /nfs/dbraw/zinc/21/06/07/261210607.db2.gz LSLLXFLBXOVTTL-IBGZPJMESA-N 1 0 291.398 3.608 10 0 CHAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000106216137 261323760 /nfs/dbraw/zinc/32/37/60/261323760.db2.gz POGVUZJSCOOAIP-QGZVFWFLSA-N 1 0 283.419 3.591 10 0 CHAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccnc(Cl)c1 ZINC000302020144 261345778 /nfs/dbraw/zinc/34/57/78/261345778.db2.gz NMFCCAQDJXQWLL-ZDUSSCGKSA-N 1 0 289.810 3.667 10 0 CHAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCSC1 ZINC000167068960 261397256 /nfs/dbraw/zinc/39/72/56/261397256.db2.gz KJTHBGSPUPZLFJ-AAEUAGOBSA-N 1 0 298.249 3.532 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCC(C)(F)F)c1C ZINC000390246430 262164683 /nfs/dbraw/zinc/16/46/83/262164683.db2.gz QRMPWVONTIEQAA-SNVBAGLBSA-N 1 0 273.371 3.606 10 0 CHAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(OC)c1)C(C)C ZINC000212737815 262174159 /nfs/dbraw/zinc/17/41/59/262174159.db2.gz OZHHFOKRBVTFAQ-RISCZKNCSA-N 1 0 253.361 3.920 10 0 CHAERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(C)c1 ZINC000311401709 262248249 /nfs/dbraw/zinc/24/82/49/262248249.db2.gz HLWGEAGOQTYPQL-YESZJQIVSA-N 1 0 261.409 3.587 10 0 CHAERO Cc1oc2ccccc2c1C[NH2+][C@@H]1COc2ccccc21 ZINC000121285693 262336123 /nfs/dbraw/zinc/33/61/23/262336123.db2.gz RUWVWWRBWXVYJQ-MRXNPFEDSA-N 1 0 279.339 3.965 10 0 CHAERO Cc1oc2ccccc2c1C[NH2+][C@H]1COc2ccccc21 ZINC000121285879 262336380 /nfs/dbraw/zinc/33/63/80/262336380.db2.gz RUWVWWRBWXVYJQ-INIZCTEOSA-N 1 0 279.339 3.965 10 0 CHAERO Cc1ccccc1[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccccc1 ZINC000189301459 264287811 /nfs/dbraw/zinc/28/78/11/264287811.db2.gz LZGGQQAVBSBZRG-IMFGXOCKSA-N 1 0 295.426 3.835 10 0 CHAERO CCCn1ccc(C[NH2+]CCc2ccc(F)cc2C)c1 ZINC000094951035 265277630 /nfs/dbraw/zinc/27/76/30/265277630.db2.gz IWICQUBYFFLFQV-UHFFFAOYSA-N 1 0 274.383 3.678 10 0 CHAERO CCOC(=O)CCCCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000094955389 265279143 /nfs/dbraw/zinc/27/91/43/265279143.db2.gz XPGLWRARDLPYOJ-CQSZACIVSA-N 1 0 295.398 3.908 10 0 CHAERO Cc1nc2c(s1)[C@@H]([N@H+](C)C1CCCC1)CCC2 ZINC000120141459 267387029 /nfs/dbraw/zinc/38/70/29/267387029.db2.gz ZKHNQEHHUATINL-ZDUSSCGKSA-N 1 0 250.411 3.703 10 0 CHAERO CN1C(=O)C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)c2ccccc21 ZINC000094323021 327703372 /nfs/dbraw/zinc/70/33/72/327703372.db2.gz FJORMDOVTFDRDG-GDBMZVCRSA-N 1 0 286.419 3.653 10 0 CHAERO COCC[C@H](C)[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000178360207 327793867 /nfs/dbraw/zinc/79/38/67/327793867.db2.gz FYZHVZRRHQHSCV-YNEHKIRRSA-N 1 0 292.448 3.803 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(Cl)nc1 ZINC000179095897 327799216 /nfs/dbraw/zinc/79/92/16/327799216.db2.gz YBSYGRSWJPPBFT-RISCZKNCSA-N 1 0 288.778 3.909 10 0 CHAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000040775725 328020197 /nfs/dbraw/zinc/02/01/97/328020197.db2.gz PLCUGKCHISNODW-ZIAGYGMSSA-N 1 0 275.392 3.799 10 0 CHAERO CC1CCC(C[NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000063144635 328034622 /nfs/dbraw/zinc/03/46/22/328034622.db2.gz QUMQWSNYGKDWHP-SEEARECTSA-N 1 0 259.393 3.795 10 0 CHAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cccc(F)c1Cl)CC2 ZINC000093190917 328261300 /nfs/dbraw/zinc/26/13/00/328261300.db2.gz AYHZTMVOAPJWNO-CZUORRHYSA-N 1 0 297.801 3.606 10 0 CHAERO c1coc([C@@H]([NH2+]CCc2cccnc2)c2ccccc2)c1 ZINC000037717839 326859373 /nfs/dbraw/zinc/85/93/73/326859373.db2.gz CEBKMKCGXHRTBH-SFHVURJKSA-N 1 0 278.355 3.596 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1sccc1Br ZINC000231379293 326996856 /nfs/dbraw/zinc/99/68/56/326996856.db2.gz KXZQTUDMDWIRTE-PSASIEDQSA-N 1 0 274.227 3.789 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@H+](C/C=C\c3ccc(F)cc3)C2)c1 ZINC000255838990 327019757 /nfs/dbraw/zinc/01/97/57/327019757.db2.gz ISDCCBNVROYUMQ-HCABJEFNSA-N 1 0 299.393 3.681 10 0 CHAERO CCCn1ccc(C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000091009777 327165032 /nfs/dbraw/zinc/16/50/32/327165032.db2.gz UERCTBDUSZPBBM-OAHLLOKOSA-N 1 0 256.393 3.791 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)CC(C)(C)C1 ZINC000300239861 332804242 /nfs/dbraw/zinc/80/42/42/332804242.db2.gz LAEQCHCBEPWQGO-MGPQQGTHSA-N 1 0 255.446 3.588 10 0 CHAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000113443131 328619745 /nfs/dbraw/zinc/61/97/45/328619745.db2.gz PWSYKNMLLQSFRL-NSHDSACASA-N 1 0 298.217 3.849 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)[C@@H]1CCCOC1 ZINC000389124108 328622731 /nfs/dbraw/zinc/62/27/31/328622731.db2.gz VRHRGSXEFNMQFS-YXJHDRRASA-N 1 0 273.420 3.859 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000052274598 328642017 /nfs/dbraw/zinc/64/20/17/328642017.db2.gz BYNZWBDTHCNPEP-RGNHYFCHSA-N 1 0 272.161 3.647 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1Br ZINC000052271008 328642108 /nfs/dbraw/zinc/64/21/08/328642108.db2.gz GCPKALYVMJIRID-PTRXPTGYSA-N 1 0 254.171 3.508 10 0 CHAERO CCc1csc([C@H]2CCC[N@H+](CCCOC(C)C)C2)n1 ZINC000171500975 329076660 /nfs/dbraw/zinc/07/66/60/329076660.db2.gz HRSIPDQRWNEDOC-AWEZNQCLSA-N 1 0 296.480 3.700 10 0 CHAERO Cc1ccc(-c2cc(C[N@@H+]3CCS[C@H](C)C3)on2)cc1 ZINC000171690895 329078676 /nfs/dbraw/zinc/07/86/76/329078676.db2.gz DHHGQSZNESCCSV-CYBMUJFWSA-N 1 0 288.416 3.587 10 0 CHAERO CCC[N@H+](C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173585025 329149599 /nfs/dbraw/zinc/14/95/99/329149599.db2.gz IOYIKMDIJZQVBW-UHFFFAOYSA-N 1 0 264.756 3.837 10 0 CHAERO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000173653376 329150362 /nfs/dbraw/zinc/15/03/62/329150362.db2.gz RQACBDIXGXDDOM-INIZCTEOSA-N 1 0 298.386 3.754 10 0 CHAERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cccc(F)c1 ZINC000173817988 329152570 /nfs/dbraw/zinc/15/25/70/329152570.db2.gz HQYGDVBYNALBCY-WBMJQRKESA-N 1 0 298.361 3.602 10 0 CHAERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cccc(F)c1 ZINC000173817963 329152591 /nfs/dbraw/zinc/15/25/91/329152591.db2.gz HQYGDVBYNALBCY-MLGOLLRUSA-N 1 0 298.361 3.602 10 0 CHAERO C[C@@H]([NH2+][C@@H](c1cccnc1)c1ccc(F)c(F)c1)C1CC1 ZINC000177291699 329185736 /nfs/dbraw/zinc/18/57/36/329185736.db2.gz ZTULCAOQAMEEFK-PIGZYNQJSA-N 1 0 288.341 3.837 10 0 CHAERO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccoc1 ZINC000178430392 329199953 /nfs/dbraw/zinc/19/99/53/329199953.db2.gz WVBPBWHSOLQHEI-GFCCVEGCSA-N 1 0 276.405 3.661 10 0 CHAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000179433497 329208498 /nfs/dbraw/zinc/20/84/98/329208498.db2.gz VCSROBICBJHAAP-PVAVHDDUSA-N 1 0 291.435 3.595 10 0 CHAERO Cc1csc(C2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)n1 ZINC000184667080 329261756 /nfs/dbraw/zinc/26/17/56/329261756.db2.gz FZIRQJDYOAKVQN-CQSZACIVSA-N 1 0 294.464 3.589 10 0 CHAERO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000187439366 329357770 /nfs/dbraw/zinc/35/77/70/329357770.db2.gz PFQJEJQEFHGVNG-HNAYVOBHSA-N 1 0 298.430 3.806 10 0 CHAERO Cc1nnc([C@H]([NH2+][C@@H]2CCC23CCCC3)c2ccccc2)[nH]1 ZINC000189108461 329377958 /nfs/dbraw/zinc/37/79/58/329377958.db2.gz PBOMRFGYESQBBH-HZPDHXFCSA-N 1 0 296.418 3.515 10 0 CHAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1csc(Cl)c1 ZINC000191292129 329411934 /nfs/dbraw/zinc/41/19/34/329411934.db2.gz FMMFOBRUCYPOTI-FGEZKYSXSA-N 1 0 293.819 3.710 10 0 CHAERO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1 ZINC000051628099 329653341 /nfs/dbraw/zinc/65/33/41/329653341.db2.gz MFDJKYOELHZGHB-OAHLLOKOSA-N 1 0 286.350 3.505 10 0 CHAERO C[C@H]([NH2+]Cc1cncnc1)c1ccc(Cl)c(Cl)c1 ZINC000054767063 329672221 /nfs/dbraw/zinc/67/22/21/329672221.db2.gz RZRRPWRNXMZCOR-VIFPVBQESA-N 1 0 282.174 3.634 10 0 CHAERO Clc1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070302 329855124 /nfs/dbraw/zinc/85/51/24/329855124.db2.gz SSNZUNOGONEHRD-AWEZNQCLSA-N 1 0 259.736 3.563 10 0 CHAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000248136882 329887805 /nfs/dbraw/zinc/88/78/05/329887805.db2.gz PELUWIVDMCWNBJ-IACUBPJLSA-N 1 0 296.480 3.777 10 0 CHAERO C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)c1ccoc1 ZINC000379615834 330142052 /nfs/dbraw/zinc/14/20/52/330142052.db2.gz BGCGPCNCNJUMBA-QFBILLFUSA-N 1 0 298.430 3.985 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000397174279 330241580 /nfs/dbraw/zinc/24/15/80/330241580.db2.gz FZTYAWQDUGSCGI-IIAWOOMASA-N 1 0 253.430 3.608 10 0 CHAERO CCCC[C@H](CC)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000036281313 330253489 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C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)cc1Br ZINC000120447501 330388009 /nfs/dbraw/zinc/38/80/09/330388009.db2.gz YRZMRBRGXKTYJK-YVZVNANGSA-N 1 0 272.161 3.647 10 0 CHAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccsc1 ZINC000090773386 330395758 /nfs/dbraw/zinc/39/57/58/330395758.db2.gz APBBKTAAQMVIGE-DZGCQCFKSA-N 1 0 266.454 3.519 10 0 CHAERO CC[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1cnn(C)c1 ZINC000090964353 330397314 /nfs/dbraw/zinc/39/73/14/330397314.db2.gz FFMCLYBBXXSCLA-SJORKVTESA-N 1 0 287.382 3.678 10 0 CHAERO CC[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1cnn(C)c1 ZINC000090964351 330397412 /nfs/dbraw/zinc/39/74/12/330397412.db2.gz FFMCLYBBXXSCLA-IAGOWNOFSA-N 1 0 287.382 3.678 10 0 CHAERO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000163648833 331065354 /nfs/dbraw/zinc/06/53/54/331065354.db2.gz RRTRJBIONDPDES-OAHLLOKOSA-N 1 0 258.409 3.523 10 0 CHAERO Cc1cc([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000453205992 331101367 /nfs/dbraw/zinc/10/13/67/331101367.db2.gz 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Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)c(C)c1 ZINC000248181987 334296822 /nfs/dbraw/zinc/29/68/22/334296822.db2.gz WOCQLRIAWOCOSV-YQQAZPJKSA-N 1 0 261.409 3.505 10 0 CHAERO Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000503587300 332693449 /nfs/dbraw/zinc/69/34/49/332693449.db2.gz RYXFQRDCHILAPL-FZKCQIBNSA-N 1 0 261.409 3.849 10 0 CHAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C)cc1 ZINC000177411540 333058482 /nfs/dbraw/zinc/05/84/82/333058482.db2.gz QVAUBUDCZOXRGG-HUUCEWRRSA-N 1 0 290.451 3.716 10 0 CHAERO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000311288367 333066649 /nfs/dbraw/zinc/06/66/49/333066649.db2.gz PEWURVFCXJCEEA-HZMVEIRTSA-N 1 0 267.457 3.684 10 0 CHAERO c1c2ccccc2oc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000178518955 333074608 /nfs/dbraw/zinc/07/46/08/333074608.db2.gz UAXRPYWKBRNBAC-DOTOQJQBSA-N 1 0 271.360 3.576 10 0 CHAERO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178702086 333076990 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CCc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000189215845 333186207 /nfs/dbraw/zinc/18/62/07/333186207.db2.gz HRDGFIGFYFRLJA-GOSISDBHSA-N 1 0 297.446 3.936 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cc1C ZINC000223870215 333212773 /nfs/dbraw/zinc/21/27/73/333212773.db2.gz KJFCVEXXCUIQNZ-LZLYRXPVSA-N 1 0 275.436 3.814 10 0 CHAERO Cc1cnn([C@@H]2CCCN(Cc3cc(Cl)cs3)C2)c1 ZINC000194389186 333270446 /nfs/dbraw/zinc/27/04/46/333270446.db2.gz SGOWIMOLZPFSSO-CYBMUJFWSA-N 1 0 295.839 3.744 10 0 CHAERO CC(C)c1ccc(CN2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000227024354 333273717 /nfs/dbraw/zinc/27/37/17/333273717.db2.gz WTRXIRWWFMDUKU-YOEHRIQHSA-N 1 0 260.425 3.512 10 0 CHAERO OCC[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000227567931 333286002 /nfs/dbraw/zinc/28/60/02/333286002.db2.gz AMHIMVRFFSRKTL-KRWDZBQOSA-N 1 0 281.399 3.558 10 0 CHAERO CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000229189928 333301321 /nfs/dbraw/zinc/30/13/21/333301321.db2.gz UIDXIBCEQITNTQ-CYBMUJFWSA-N 1 0 287.234 3.567 10 0 CHAERO FC(F)(F)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250233676 333303647 /nfs/dbraw/zinc/30/36/47/333303647.db2.gz CDMILAAKULCQLL-KGLIPLIRSA-N 1 0 284.325 3.744 10 0 CHAERO CCC(CC)CN(CC)C(=O)CC1(C[NH3+])CCCCC1 ZINC000229399518 333304578 /nfs/dbraw/zinc/30/45/78/333304578.db2.gz CBGVUQLKEXKFCT-UHFFFAOYSA-N 1 0 282.472 3.570 10 0 CHAERO CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230659316 333319884 /nfs/dbraw/zinc/31/98/84/333319884.db2.gz RIGMKAXKXHTURU-VHDGCEQUSA-N 1 0 255.446 3.588 10 0 CHAERO CCC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000231382620 333324790 /nfs/dbraw/zinc/32/47/90/333324790.db2.gz RGXXKCQIHJBDDE-RBSFLKMASA-N 1 0 255.446 3.590 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]C2CC(c3ccc(C)cc3)C2)o1 ZINC000231526247 333325788 /nfs/dbraw/zinc/32/57/88/333325788.db2.gz DLVOQDRSIZBOPS-JEYLPNPQSA-N 1 0 270.376 3.888 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000232130182 333334325 /nfs/dbraw/zinc/33/43/25/333334325.db2.gz NBRYVEYZSLYAKW-GOEBONIOSA-N 1 0 261.409 3.587 10 0 CHAERO CCn1nc(C)c([C@H](C)[NH2+]CCC(C)(C)C2CC2)c1C ZINC000328576318 333535159 /nfs/dbraw/zinc/53/51/59/333535159.db2.gz ZDCALNCFKQWKGR-LBPRGKRZSA-N 1 0 277.456 3.997 10 0 CHAERO C[NH2+]C[C@@H]1CCCN1Cc1sc2ccccc2c1Cl ZINC000123589466 333548710 /nfs/dbraw/zinc/54/87/10/333548710.db2.gz PRAVFUODXYFNEH-NSHDSACASA-N 1 0 294.851 3.739 10 0 CHAERO CC[C@H](CCO)[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000126730202 333603555 /nfs/dbraw/zinc/60/35/55/333603555.db2.gz SXLOJLRVLCVYEV-DOMZBBRYSA-N 1 0 297.826 3.613 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000070353707 333808292 /nfs/dbraw/zinc/80/82/92/333808292.db2.gz GQORSZHJVBDZLI-SRVKXCTJSA-N 1 0 285.334 3.506 10 0 CHAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000077205294 334098254 /nfs/dbraw/zinc/09/82/54/334098254.db2.gz DQFWLHUIPKCDEL-WFASDCNBSA-N 1 0 275.417 3.542 10 0 CHAERO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424293 334129305 /nfs/dbraw/zinc/12/93/05/334129305.db2.gz VTXFSNGSRWRDCW-YHNBSYBMSA-N 1 0 266.473 3.508 10 0 CHAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000245510311 334198883 /nfs/dbraw/zinc/19/88/83/334198883.db2.gz WALZMPPBURBYFW-BFJAYTPKSA-N 1 0 259.393 3.700 10 0 CHAERO Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000247141883 334276510 /nfs/dbraw/zinc/27/65/10/334276510.db2.gz XYOHOEUDBJEYNE-KURKYZTESA-N 1 0 273.420 3.587 10 0 CHAERO CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)c1cccs1 ZINC000247150830 334276518 /nfs/dbraw/zinc/27/65/18/334276518.db2.gz SXTQTFGMVAFVDQ-RDBSUJKOSA-N 1 0 266.454 3.518 10 0 CHAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C[C@H](C)O1 ZINC000550795181 334228616 /nfs/dbraw/zinc/22/86/16/334228616.db2.gz CGZOIFRCYAZRJB-QKPAOTATSA-N 1 0 265.441 3.893 10 0 CHAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cnc2ccsc2c1 ZINC000247033654 334274357 /nfs/dbraw/zinc/27/43/57/334274357.db2.gz VRJIBFZSOYLHRE-COPLHBTASA-N 1 0 276.405 3.514 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)c(C)c1 ZINC000246820883 334270247 /nfs/dbraw/zinc/27/02/47/334270247.db2.gz BEEBLELMGCGAFB-ZMSDIMECSA-N 1 0 261.409 3.505 10 0 CHAERO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000247956319 334292352 /nfs/dbraw/zinc/29/23/52/334292352.db2.gz FQKMBNNBPNGGEU-TUKIKUTGSA-N 1 0 297.826 3.693 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@@H+]([C@H]1CCCc3ccccc31)CC2 ZINC000248072840 334294412 /nfs/dbraw/zinc/29/44/12/334294412.db2.gz MRHFDSNUDLUIML-NEWSRXKRSA-N 1 0 285.431 3.691 10 0 CHAERO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000248121871 334295205 /nfs/dbraw/zinc/29/52/05/334295205.db2.gz NLUOPVQNJGHPIG-IRXDYDNUSA-N 1 0 295.430 3.885 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000249719476 334339308 /nfs/dbraw/zinc/33/93/08/334339308.db2.gz CODDECAQQLXUSU-JJRVBVJISA-N 1 0 261.409 3.857 10 0 CHAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Br)cc1 ZINC000251046913 334355173 /nfs/dbraw/zinc/35/51/73/334355173.db2.gz FBQVPWMHRPJZKQ-ICCXJUOJSA-N 1 0 268.198 3.898 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCc2c3ccccc3[nH]c21)[C@H]1CCCO1 ZINC000251570283 334364462 /nfs/dbraw/zinc/36/44/62/334364462.db2.gz MZFXZUVVDZXBFR-AFAVFJNCSA-N 1 0 284.403 3.702 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)[C@H]1CCCO1 ZINC000251582256 334364725 /nfs/dbraw/zinc/36/47/25/334364725.db2.gz NQXIHVJUYLMNAS-RRQGHBQHSA-N 1 0 259.393 3.611 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000251740270 334368522 /nfs/dbraw/zinc/36/85/22/334368522.db2.gz TVFWSMAICLKHKE-MCIONIFRSA-N 1 0 277.408 3.933 10 0 CHAERO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251829224 334370541 /nfs/dbraw/zinc/37/05/41/334370541.db2.gz ZBSBQWPSHFVNTB-QGTPRVQTSA-N 1 0 286.463 3.871 10 0 CHAERO C[C@H]([NH2+]CC1CC(O)C1)c1cc(F)c(Cl)cc1Cl ZINC000091415934 334378077 /nfs/dbraw/zinc/37/80/77/334378077.db2.gz KKSBLJNHCJPCIU-UEJVZZJDSA-N 1 0 292.181 3.554 10 0 CHAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1 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CHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000381038947 336046293 /nfs/dbraw/zinc/04/62/93/336046293.db2.gz DBGBOFBJYMUORF-JYJNAYRXSA-N 1 0 262.441 3.531 10 0 CHAERO CCN1CC[C@H]([NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000381081569 336049263 /nfs/dbraw/zinc/04/92/63/336049263.db2.gz UUZKENAJTUVPEK-HOCLYGCPSA-N 1 0 278.465 3.663 10 0 CHAERO Cc1cnc([C@H](C)[NH2+]C[C@H](C)C2CCCCC2)o1 ZINC000381199941 336054719 /nfs/dbraw/zinc/05/47/19/336054719.db2.gz BXYXZLQIVWPARH-AAEUAGOBSA-N 1 0 250.386 3.850 10 0 CHAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H]1C=CCCCCC1 ZINC000383499401 336111066 /nfs/dbraw/zinc/11/10/66/336111066.db2.gz ZMYJGFCJGAZNSI-BRSBDYLESA-N 1 0 277.452 3.891 10 0 CHAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC000383549535 336113712 /nfs/dbraw/zinc/11/37/12/336113712.db2.gz SEBIWVXQHZFLLO-RCCFBDPRSA-N 1 0 279.468 3.972 10 0 CHAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCSC2)CC(C)(C)C1 ZINC000384109012 336121998 /nfs/dbraw/zinc/12/19/98/336121998.db2.gz GXFFOTAQSLRUDM-MGPQQGTHSA-N 1 0 255.471 3.934 10 0 CHAERO CSCC1CCC([NH2+][C@@H](C)c2ncc(C)o2)CC1 ZINC000385700636 336154541 /nfs/dbraw/zinc/15/45/41/336154541.db2.gz PRDDQCLAQXMOAC-HIFPTAJRSA-N 1 0 268.426 3.555 10 0 CHAERO CC(C)CN(CC(C)C)c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054896491 519713887 /nfs/dbraw/zinc/71/38/87/519713887.db2.gz GBYLUTCXVPOSJZ-LBPRGKRZSA-N 1 0 281.469 3.598 10 0 CHAERO CCC[NH2+]C[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000054592539 519941070 /nfs/dbraw/zinc/94/10/70/519941070.db2.gz UJURHSKRTXBUQF-YPMHNXCESA-N 1 0 257.299 3.809 10 0 CHAERO CCC[NH2+]Cc1nccn1Cc1c(Cl)cccc1Cl ZINC000051005381 519967445 /nfs/dbraw/zinc/96/74/45/519967445.db2.gz XQQVKPGYQNLPBV-UHFFFAOYSA-N 1 0 298.217 3.738 10 0 CHAERO CCC[NH2+]Cc1sc(-c2cccc(OC)c2)nc1C ZINC000052330532 519972470 /nfs/dbraw/zinc/97/24/70/519972470.db2.gz YKOVIBUFEVPHDM-UHFFFAOYSA-N 1 0 276.405 3.627 10 0 CHAERO CC[NH2+]Cc1sc(N(C)C2CCC(C)CC2)nc1C ZINC000055001642 520032713 /nfs/dbraw/zinc/03/27/13/520032713.db2.gz PUINNLRUDCXYAW-UHFFFAOYSA-N 1 0 281.469 3.576 10 0 CHAERO CC[NH2+][C@@H](CC1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000062792649 520083474 /nfs/dbraw/zinc/08/34/74/520083474.db2.gz OGZJYZFGVHDIMN-HNNXBMFYSA-N 1 0 285.790 3.946 10 0 CHAERO CCC[NH2+][C@H](Cc1ccsc1)Cc1nc(C)cs1 ZINC000055269463 520086813 /nfs/dbraw/zinc/08/68/13/520086813.db2.gz ZVRYPCNHOYCJMK-CYBMUJFWSA-N 1 0 280.462 3.666 10 0 CHAERO CC[NH2+][C@@H](Cc1cc(F)cc(F)c1)c1cccs1 ZINC000049349264 520103862 /nfs/dbraw/zinc/10/38/62/520103862.db2.gz KMQRXYFZFDJWTD-ZDUSSCGKSA-N 1 0 267.344 3.920 10 0 CHAERO CC[NH2+][C@H]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000049345944 520213640 /nfs/dbraw/zinc/21/36/40/520213640.db2.gz XUTXXILFGMLNJN-YGRLFVJLSA-N 1 0 255.764 3.800 10 0 CHAERO CCCCOCC[C@@]1(C[NH2+]C2CC2)C[C@H]2CC[C@@H]1C2 ZINC000054639170 520795353 /nfs/dbraw/zinc/79/53/53/520795353.db2.gz VLZGQLBAAYLJAZ-UXLLHSPISA-N 1 0 265.441 3.752 10 0 CHAERO CC1CCC(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000341493762 520923158 /nfs/dbraw/zinc/92/31/58/520923158.db2.gz WPUXNKGPDLXILR-GQKFXUNGSA-N 1 0 253.430 3.606 10 0 CHAERO CCCc1nc(N2CCCCCC2)sc1C[NH2+]CC ZINC000054995616 521530796 /nfs/dbraw/zinc/53/07/96/521530796.db2.gz RMVBVENYUQQNKK-UHFFFAOYSA-N 1 0 281.469 3.586 10 0 CHAERO C[NH2+]CC1(O[C@H]2C[C@H](C)CC(C)(C)C2)CCCC1 ZINC000050496745 521970946 /nfs/dbraw/zinc/97/09/46/521970946.db2.gz BCPUNRKXYNTZGJ-KBPBESRZSA-N 1 0 253.430 3.750 10 0 CHAERO C[NH2+]Cc1coc(COc2c(C)cc(Cl)cc2C)c1 ZINC000052651452 522147962 /nfs/dbraw/zinc/14/79/62/522147962.db2.gz HLPMEKNFELIEHG-UHFFFAOYSA-N 1 0 279.767 3.848 10 0 CHAERO CC[C@H](C[NH2+]C(C)(C)C)N(CC)c1ccc(F)cc1 ZINC000052512122 522188516 /nfs/dbraw/zinc/18/85/16/522188516.db2.gz QDILVTPPKQOSMH-CQSZACIVSA-N 1 0 266.404 3.819 10 0 CHAERO Brc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]32)nc1 ZINC000228880730 518211101 /nfs/dbraw/zinc/21/11/01/518211101.db2.gz IWTXKXUHQFILSJ-BXUZGUMPSA-N 1 0 295.224 3.609 10 0 CHAERO CC(C)(C)CCOc1ccc(Cl)cc1CC[NH3+] ZINC000049256143 518655545 /nfs/dbraw/zinc/65/55/45/518655545.db2.gz HJKCGGRSVVZIKF-UHFFFAOYSA-N 1 0 255.789 3.656 10 0 CHAERO CC(C)(C)[NH2+]CCCCCN(CC(F)(F)F)C1CC1 ZINC000052503602 518756100 /nfs/dbraw/zinc/75/61/00/518756100.db2.gz PRUZINSCUYKUDC-UHFFFAOYSA-N 1 0 280.378 3.572 10 0 CHAERO CC(C)(C)[NH2+]Cc1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000050479367 518762428 /nfs/dbraw/zinc/76/24/28/518762428.db2.gz RJVDARWAKRMLAN-UHFFFAOYSA-N 1 0 263.772 3.618 10 0 CHAERO CC(C)C[C@H]1CN[C@H](C(C)C)C[N@@H+]1C1CCCCC1 ZINC000062663212 519415560 /nfs/dbraw/zinc/41/55/60/519415560.db2.gz GYKUNEHVVSUGLH-IRXDYDNUSA-N 1 0 266.473 3.664 10 0 CHAERO CC(C)[N@@H+]1CC[C@H](CNc2ccc(C(F)(F)F)cc2)C1 ZINC000054186860 519688296 /nfs/dbraw/zinc/68/82/96/519688296.db2.gz GAKZQPAHNHBJSR-GFCCVEGCSA-N 1 0 286.341 3.848 10 0 CHAERO CC(C)CC[C@H]([NH3+])c1ccccc1Br ZINC000060699884 519692102 /nfs/dbraw/zinc/69/21/02/519692102.db2.gz GUSHNWWLKYCJJP-LBPRGKRZSA-N 1 0 256.187 3.885 10 0 CHAERO CC(C)[NH2+]C[C@@H](Oc1ccccc1)c1ccccc1 ZINC000052668457 519722982 /nfs/dbraw/zinc/72/29/82/519722982.db2.gz XPMWGOBQPJNSIV-QGZVFWFLSA-N 1 0 255.361 3.805 10 0 CHAERO CC(C)[NH2+]C[C@H](OCC(F)(F)F)c1ccc(Cl)cc1 ZINC000050502055 519724876 /nfs/dbraw/zinc/72/48/76/519724876.db2.gz DWTWGQTZTNTLKL-LBPRGKRZSA-N 1 0 295.732 3.958 10 0 CHAERO CC(C)[NH2+]Cc1cc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000050479193 519726387 /nfs/dbraw/zinc/72/63/87/519726387.db2.gz RZASFDAQRCVBPV-UHFFFAOYSA-N 1 0 284.190 3.882 10 0 CHAERO CC(C)C[NH2+]CC[C@H](C)N(C)Cc1ccc(Cl)s1 ZINC000052509279 519744071 /nfs/dbraw/zinc/74/40/71/519744071.db2.gz XSWFIJBFIZLBOE-LBPRGKRZSA-N 1 0 288.888 3.858 10 0 CHAERO CC(C)C[NH2+]C[C@@H](Oc1ccc(F)c(F)c1)C(C)C ZINC000052700271 519744883 /nfs/dbraw/zinc/74/48/83/519744883.db2.gz AAOFZTGADFRITG-OAHLLOKOSA-N 1 0 271.351 3.614 10 0 CHAERO CC(C)C[NH2+]C[C@H]1C[C@@]1(C)c1ccccc1Br ZINC000054598110 519746474 /nfs/dbraw/zinc/74/64/74/519746474.db2.gz DNYIWEPISIBRIF-IUODEOHRSA-N 1 0 296.252 3.972 10 0 CHAERO CC(C)C[NH2+]Cc1nc(CO[C@H](C)CC(C)C)cs1 ZINC000052603094 519748302 /nfs/dbraw/zinc/74/83/02/519748302.db2.gz MYEJFVDSWUZZOC-CYBMUJFWSA-N 1 0 284.469 3.840 10 0 CHAERO CC(C)OCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000020198202 519764597 /nfs/dbraw/zinc/76/45/97/519764597.db2.gz WBGVQXLSXASJQI-QGZVFWFLSA-N 1 0 273.376 3.774 10 0 CHAERO CC(C)C[C@@H](C)OC1(C[NH2+]C2CC2)CCCCC1 ZINC000050488556 519773441 /nfs/dbraw/zinc/77/34/41/519773441.db2.gz JVRAUKHBZFOKKX-CQSZACIVSA-N 1 0 253.430 3.893 10 0 CHAERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000049196467 519814762 /nfs/dbraw/zinc/81/47/62/519814762.db2.gz ZSJADYXZZYAUBF-DOMZBBRYSA-N 1 0 268.832 3.577 10 0 CHAERO CC(C)[C@H](C[NH2+]C(C)(C)C)Oc1cc(F)cc(F)c1 ZINC000054934736 519815891 /nfs/dbraw/zinc/81/58/91/519815891.db2.gz KRIXJLPWNUSTCF-AWEZNQCLSA-N 1 0 271.351 3.756 10 0 CHAERO CC(C)c1ccc(C2([NH3+])Cc3ccccc3C2)cc1 ZINC000055241275 519835437 /nfs/dbraw/zinc/83/54/37/519835437.db2.gz WUFPSSZVSQUENZ-UHFFFAOYSA-N 1 0 251.373 3.763 10 0 CHAERO CC(C)c1ccc(SCc2ccc[nH+]c2NN)cc1 ZINC000052731025 519838872 /nfs/dbraw/zinc/83/88/72/519838872.db2.gz OEHAJXCBMCKNBF-UHFFFAOYSA-N 1 0 273.405 3.783 10 0 CHAERO CCCC1CC[NH+](Cc2ccc(NCC)nc2)CC1 ZINC000050906000 519902267 /nfs/dbraw/zinc/90/22/67/519902267.db2.gz JHXZSFSIUGGSOK-UHFFFAOYSA-N 1 0 261.413 3.526 10 0 CHAERO CCCC1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788986 519904318 /nfs/dbraw/zinc/90/43/18/519904318.db2.gz FEQBGGBXMJLAJK-UHFFFAOYSA-N 1 0 279.815 3.641 10 0 CHAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cccc(Cl)c1 ZINC000054603148 519908685 /nfs/dbraw/zinc/90/86/85/519908685.db2.gz AXMGVWWLIJOBFK-VHRNVKJDSA-N 1 0 278.827 3.839 10 0 CHAERO CC[NH2+]CC1(O[C@H](C)CC(C)C)CCC(C)CC1 ZINC000050489178 519913723 /nfs/dbraw/zinc/91/37/23/519913723.db2.gz SSIIVCCGFDGMSM-HWOWSKLDSA-N 1 0 255.446 3.996 10 0 CHAERO CCC[NH2+]CC[C@H](C)N(C)Cc1ccccc1Cl ZINC000052372028 519919326 /nfs/dbraw/zinc/91/93/26/519919326.db2.gz XLTXVSHVOGGNQP-ZDUSSCGKSA-N 1 0 268.832 3.550 10 0 CHAERO CCC[NH2+]C[C@@H](OCC(F)(F)F)c1ccccc1C ZINC000050502221 519921976 /nfs/dbraw/zinc/92/19/76/519921976.db2.gz ZJDYOLKQAKURCM-CYBMUJFWSA-N 1 0 275.314 3.615 10 0 CHAERO CCC[NH2+]C[C@@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000053010661 519922701 /nfs/dbraw/zinc/92/27/01/519922701.db2.gz CSPUIOWPDINPDR-HNNXBMFYSA-N 1 0 274.452 3.810 10 0 CHAERO CCC[NH2+]C[C@H]1CCN(c2cccc3ccccc32)C1 ZINC000053010617 519936271 /nfs/dbraw/zinc/93/62/71/519936271.db2.gz ACTWXIVFIGYONN-OAHLLOKOSA-N 1 0 268.404 3.666 10 0 CHAERO CCC[NH2+]C[C@]1(OCC(F)(F)F)CCC[C@H](C)C1 ZINC000050504882 519942527 /nfs/dbraw/zinc/94/25/27/519942527.db2.gz HNBAWDABDBKEDC-RYUDHWBXSA-N 1 0 267.335 3.514 10 0 CHAERO CC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000054591940 519955312 /nfs/dbraw/zinc/95/53/12/519955312.db2.gz RCFXHTKTZQTVRW-STQMWFEESA-N 1 0 257.299 3.593 10 0 CHAERO CC[NH2+]C[C@H](OC1CCCCC1)c1ccc(C)cc1 ZINC000050487075 519973462 /nfs/dbraw/zinc/97/34/62/519973462.db2.gz VXZZGEAWCJGUPL-KRWDZBQOSA-N 1 0 261.409 3.995 10 0 CHAERO CCC[NH2+][C@@H](C)[C@@H](C)N(C)[C@@H](C)c1ccccc1F ZINC000062013855 519986209 /nfs/dbraw/zinc/98/62/09/519986209.db2.gz XSMQZKKXQVPCGU-MJBXVCDLSA-N 1 0 266.404 3.595 10 0 CHAERO CCC[NH2+][C@@H](C)c1nc2ccc(F)cc2n1C1CC1 ZINC000062366581 519990351 /nfs/dbraw/zinc/99/03/51/519990351.db2.gz QOQOYZVVDARKLA-JTQLQIEISA-N 1 0 261.344 3.571 10 0 CHAERO CCC[NH2+][C@@H](c1sccc1C)C1CCOCC1 ZINC000061672204 520020749 /nfs/dbraw/zinc/02/07/49/520020749.db2.gz IOLLSZIIROUORF-CYBMUJFWSA-N 1 0 253.411 3.524 10 0 CHAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1cc(Cl)ccc1OC ZINC000055231998 520022593 /nfs/dbraw/zinc/02/25/93/520022593.db2.gz FEQQTCXTSABUGC-TZMCWYRMSA-N 1 0 267.800 3.984 10 0 CHAERO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1Cc1ccco1 ZINC000062102399 520029047 /nfs/dbraw/zinc/02/90/47/520029047.db2.gz ZSXCPYVNPUTOPM-PBHICJAKSA-N 1 0 255.361 3.735 10 0 CHAERO CCC[NH2+][C@H](C)c1ccccc1Sc1nnc(C)o1 ZINC000051038260 520065847 /nfs/dbraw/zinc/06/58/47/520065847.db2.gz CRPZYXGXXXPKKW-SNVBAGLBSA-N 1 0 277.393 3.590 10 0 CHAERO CCC[NH2+][C@H](C)c1nc2c(cccc2F)n1C1CC1 ZINC000062366400 520067490 /nfs/dbraw/zinc/06/74/90/520067490.db2.gz SJPMJYCPBVIQEL-SNVBAGLBSA-N 1 0 261.344 3.571 10 0 CHAERO CC[NH2+][C@@H](C)Cc1ccc(-c2ccc(F)c(C)c2)o1 ZINC000062771097 520073346 /nfs/dbraw/zinc/07/33/46/520073346.db2.gz HMKCHHBQJQDDRL-LBPRGKRZSA-N 1 0 261.340 3.935 10 0 CHAERO CCCCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000062625633 520079028 /nfs/dbraw/zinc/07/90/28/520079028.db2.gz BMSZKFPSYGMEHF-JKSUJKDBSA-N 1 0 254.462 3.521 10 0 CHAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000050618659 520080749 /nfs/dbraw/zinc/08/07/49/520080749.db2.gz WYKJFWDZQARRBY-ZETCQYMHSA-N 1 0 286.162 3.714 10 0 CHAERO CCC[NH2+][C@H](c1sccc1C)C1CCOCC1 ZINC000061672205 520092504 /nfs/dbraw/zinc/09/25/04/520092504.db2.gz IOLLSZIIROUORF-ZDUSSCGKSA-N 1 0 253.411 3.524 10 0 CHAERO CCC[NH2+][C@H]1CCN(c2ccccc2Cl)C[C@@H]1C ZINC000049712272 520096490 /nfs/dbraw/zinc/09/64/90/520096490.db2.gz HINVFCZLOLPGOW-JSGCOSHPSA-N 1 0 266.816 3.554 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccn1)c1ccc(C)cc1C ZINC000055235951 520106222 /nfs/dbraw/zinc/10/62/22/520106222.db2.gz NWBHPAWXPCUDDG-KRWDZBQOSA-N 1 0 254.377 3.592 10 0 CHAERO CC[NH2+][C@@H](Cc1nc(C)cs1)c1ccc(CC)cc1 ZINC000055268660 520107795 /nfs/dbraw/zinc/10/77/95/520107795.db2.gz JMNCZBNFZQMYIL-HNNXBMFYSA-N 1 0 274.433 3.907 10 0 CHAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1CCCCO1 ZINC000050962173 520110618 /nfs/dbraw/zinc/11/06/18/520110618.db2.gz CGODTPNEVOSDBJ-JOYOIKCWSA-N 1 0 259.802 3.621 10 0 CHAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1cccc2cnccc21 ZINC000061124698 520117216 /nfs/dbraw/zinc/11/72/16/520117216.db2.gz ARHGIDVNNBUIIK-IAGOWNOFSA-N 1 0 254.377 3.871 10 0 CHAERO CC[NH2+][C@@H]1CCN(c2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000049712437 520121369 /nfs/dbraw/zinc/12/13/69/520121369.db2.gz DOUWHJLZCWJEBY-GHMZBOCLSA-N 1 0 287.234 3.960 10 0 CHAERO CCCCCN(C(C)C)[C@H](C[NH2+]C)c1ccccc1 ZINC000052544875 520148792 /nfs/dbraw/zinc/14/87/92/520148792.db2.gz HTHJKDKSBHKDKU-QGZVFWFLSA-N 1 0 262.441 3.848 10 0 CHAERO CCCNc1ccc(Cl)c(C[N@H+](CC)CCC)n1 ZINC000061631023 520161303 /nfs/dbraw/zinc/16/13/03/520161303.db2.gz UUULDDGFROZELQ-UHFFFAOYSA-N 1 0 269.820 3.789 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000061698696 520178343 /nfs/dbraw/zinc/17/83/43/520178343.db2.gz UWDURNPWTSIPAZ-MRVPVSSYSA-N 1 0 281.705 3.952 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCC=C(C)C ZINC000062746941 520178320 /nfs/dbraw/zinc/17/83/20/520178320.db2.gz YNRKHIKZDXPQSA-GFCCVEGCSA-N 1 0 251.345 3.841 10 0 CHAERO CCCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062668272 520183221 /nfs/dbraw/zinc/18/32/21/520183221.db2.gz CJIZSQCWLZPTFA-ZWKOTPCHSA-N 1 0 274.452 3.848 10 0 CHAERO CC[NH2+][C@H](Cc1cc(F)cc(F)c1)c1cccs1 ZINC000049349267 520202162 /nfs/dbraw/zinc/20/21/62/520202162.db2.gz KMQRXYFZFDJWTD-CYBMUJFWSA-N 1 0 267.344 3.920 10 0 CHAERO CC[NH2+][C@H](Cc1cccs1)Cc1cccc(F)c1 ZINC000052900634 520204451 /nfs/dbraw/zinc/20/44/51/520204451.db2.gz FMUYDYMFMOYADG-AWEZNQCLSA-N 1 0 263.381 3.651 10 0 CHAERO CC[NH2+][C@H](Cc1ccccn1)c1ccc(C)cc1C ZINC000055235955 520204523 /nfs/dbraw/zinc/20/45/23/520204523.db2.gz NWBHPAWXPCUDDG-QGZVFWFLSA-N 1 0 254.377 3.592 10 0 CHAERO CC[NH2+][C@H](c1ccc(C(C)C)cc1)C1CCOCC1 ZINC000061672129 520208769 /nfs/dbraw/zinc/20/87/69/520208769.db2.gz UCDXRCLUPIIZDP-QGZVFWFLSA-N 1 0 261.409 3.887 10 0 CHAERO CCNc1c2cc(OC)ccc2[nH+]c2c1CCCC2 ZINC000050870858 520257395 /nfs/dbraw/zinc/25/73/95/520257395.db2.gz IFFPMECCJBRQHX-UHFFFAOYSA-N 1 0 256.349 3.554 10 0 CHAERO CCCCN(c1nc2c(s1)[C@H]([NH3+])CCC2)[C@@H](C)CC ZINC000054898802 520554613 /nfs/dbraw/zinc/55/46/13/520554613.db2.gz CJDZUDDWIXIFTI-NWDGAFQWSA-N 1 0 281.469 3.884 10 0 CHAERO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)ccc1O ZINC000034993618 520726182 /nfs/dbraw/zinc/72/61/82/520726182.db2.gz VGLRXFJIYAAIJZ-LBPRGKRZSA-N 1 0 275.348 3.543 10 0 CHAERO CC1CCC([NH3+])(c2cccc(OC(F)(F)F)c2)CC1 ZINC000061703221 520938625 /nfs/dbraw/zinc/93/86/25/520938625.db2.gz LLRRJXOZKUDYKI-UHFFFAOYSA-N 1 0 273.298 3.949 10 0 CHAERO CCCC[C@@H](CC)CC1(C[NH2+]CC)CCOCC1 ZINC000061674166 521027760 /nfs/dbraw/zinc/02/77/60/521027760.db2.gz IWBMOVKBDRJDGZ-OAHLLOKOSA-N 1 0 255.446 3.999 10 0 CHAERO CCC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054561131 521035377 /nfs/dbraw/zinc/03/53/77/521035377.db2.gz NDAIDNFPTMMFLK-FZKCQIBNSA-N 1 0 255.446 3.540 10 0 CHAERO CCCC[C@@H]([NH2+]CCn1cc(C)cn1)c1ccccc1 ZINC000219184549 521099574 /nfs/dbraw/zinc/09/95/74/521099574.db2.gz WWVGODONLDVZSM-QGZVFWFLSA-N 1 0 271.408 3.713 10 0 CHAERO CCC[C@H]([NH3+])c1nc2c(s1)CCc1sccc1-2 ZINC000061326038 521121235 /nfs/dbraw/zinc/12/12/35/521121235.db2.gz USYQXXMGXUOQIO-VIFPVBQESA-N 1 0 264.419 3.770 10 0 CHAERO CCOc1ccc([C@@](C)([NH3+])c2cccc(Cl)c2)cc1 ZINC000055195672 521250117 /nfs/dbraw/zinc/25/01/17/521250117.db2.gz GIJDBYFVMIMMAY-MRXNPFEDSA-N 1 0 275.779 3.961 10 0 CHAERO CCOc1cccc(Oc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000051846667 521403561 /nfs/dbraw/zinc/40/35/61/521403561.db2.gz IDOGLCPENHJODK-GFCCVEGCSA-N 1 0 257.333 3.897 10 0 CHAERO CCCc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2OC)cc1 ZINC000050369477 521414550 /nfs/dbraw/zinc/41/45/50/521414550.db2.gz DDTVOQZXBSLBMW-COXVUDFISA-N 1 0 261.409 3.857 10 0 CHAERO CCC(CC)(C[NH2+]CC(C)C)c1ccc(OC)cc1 ZINC000053738552 521440250 /nfs/dbraw/zinc/44/02/50/521440250.db2.gz YHLIIPLGMFEWTI-UHFFFAOYSA-N 1 0 263.425 3.999 10 0 CHAERO CCC(CC)(c1nc(C[NH2+]C)cs1)c1ccccc1 ZINC000062784028 521479084 /nfs/dbraw/zinc/47/90/84/521479084.db2.gz VHGRFSSSVZGEDW-UHFFFAOYSA-N 1 0 274.433 3.969 10 0 CHAERO CCN(c1nc(C)c(C[NH2+]C(C)(C)C)s1)C(C)C ZINC000054996489 521504151 /nfs/dbraw/zinc/50/41/51/521504151.db2.gz IPBUOQFYYHCOOO-UHFFFAOYSA-N 1 0 269.458 3.574 10 0 CHAERO CCC[N@H+](CC1CC1)[C@H](CC(N)=S)c1ccccc1 ZINC000055025073 521627108 /nfs/dbraw/zinc/62/71/08/521627108.db2.gz IEANUJRPSGYXLZ-OAHLLOKOSA-N 1 0 276.449 3.526 10 0 CHAERO CCCn1c(C[C@@H](C)[NH2+]CC)nc2cccc(Cl)c21 ZINC000061181969 521630974 /nfs/dbraw/zinc/63/09/74/521630974.db2.gz KSBIXTVHCSKUCI-LLVKDONJSA-N 1 0 279.815 3.640 10 0 CHAERO CCCN(c1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2)C(C)C ZINC000054895210 521697871 /nfs/dbraw/zinc/69/78/71/521697871.db2.gz JBRNGAZJRCZKKE-NSHDSACASA-N 1 0 281.469 3.740 10 0 CHAERO CCc1ccccc1Oc1c(F)cc(C[NH3+])cc1F ZINC000062720796 521925364 /nfs/dbraw/zinc/92/53/64/521925364.db2.gz BAGNDOTYFIKUHF-UHFFFAOYSA-N 1 0 263.287 3.778 10 0 CHAERO CCc1ccccc1[C@@H](CN)[NH+]1CCCCCCC1 ZINC000052203418 521931810 /nfs/dbraw/zinc/93/18/10/521931810.db2.gz FXQLAEFZODSEQC-QGZVFWFLSA-N 1 0 260.425 3.515 10 0 CHAERO CCc1ccccc1[C@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000052204702 521953551 /nfs/dbraw/zinc/95/35/51/521953551.db2.gz HKULQTRHDNQLFL-HNNXBMFYSA-N 1 0 272.417 3.632 10 0 CHAERO C[NH2+]CC1(O[C@@H]2CCC[C@H](C)C2)CCCCCC1 ZINC000050497853 521971433 /nfs/dbraw/zinc/97/14/33/521971433.db2.gz MAUHWFSIUGYDNH-LSDHHAIUSA-N 1 0 253.430 3.894 10 0 CHAERO C[NH2+]C[C@H](OC1CCCC1)c1cccc(Br)c1 ZINC000050487616 522075634 /nfs/dbraw/zinc/07/56/34/522075634.db2.gz LDFCEJBBEKRTFM-AWEZNQCLSA-N 1 0 298.224 3.669 10 0 CHAERO CC[C@H](C[NH2+]C(C)(C)C)N(C)Cc1ccccc1Cl ZINC000052371910 522189679 /nfs/dbraw/zinc/18/96/79/522189679.db2.gz CGRZYNGXQQEACF-CQSZACIVSA-N 1 0 282.859 3.939 10 0 CHAERO CC[C@H](C[NH2+]C(C)C)Oc1ccc(C(F)(F)F)cc1 ZINC000052599833 522191872 /nfs/dbraw/zinc/19/18/72/522191872.db2.gz WCAJYDFSANDFCN-GFCCVEGCSA-N 1 0 275.314 3.861 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(F)c2F)o1 ZINC000052924193 522330091 /nfs/dbraw/zinc/33/00/91/522330091.db2.gz KRYQQOOGMARBKN-ZETCQYMHSA-N 1 0 255.239 3.644 10 0 CHAERO C[NH2+][C@@H](C)c1sc(N(C)CC2CCCCC2)nc1C ZINC000054909308 522340530 /nfs/dbraw/zinc/34/05/30/522340530.db2.gz QKYQCSAZNCDSTI-NSHDSACASA-N 1 0 281.469 3.748 10 0 CHAERO C[NH2+][C@@H]1CCCCCC[C@@H]1Oc1cccc(F)c1F ZINC000062614071 522378066 /nfs/dbraw/zinc/37/80/66/522378066.db2.gz NVHYCTFLOYLKCO-OLZOCXBDSA-N 1 0 269.335 3.654 10 0 CHAERO C[NH2+][C@@H]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055231436 522381281 /nfs/dbraw/zinc/38/12/81/522381281.db2.gz WXZDLQXRZVJFKQ-QWHCGFSZSA-N 1 0 257.299 3.951 10 0 CHAERO CCc1nc(N2CCCC[C@H]2C)sc1C[NH2+]CC(C)C ZINC000054995326 522386039 /nfs/dbraw/zinc/38/60/39/522386039.db2.gz KHPIRFRTBNEMKB-CYBMUJFWSA-N 1 0 295.496 3.830 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](OC1CCC1)c1ccc(Cl)cc1 ZINC000050519220 522645840 /nfs/dbraw/zinc/64/58/40/522645840.db2.gz HWNYTLJNVIMWNX-KGLIPLIRSA-N 1 0 253.773 3.688 10 0 CHAERO CC[C@@H]([NH3+])c1ccc(-c2cccc(COC)c2)s1 ZINC000049510981 522654725 /nfs/dbraw/zinc/65/47/25/522654725.db2.gz WSUXMXISVWMQMU-CYBMUJFWSA-N 1 0 261.390 3.971 10 0 CHAERO CC[C@@H](NC(=[NH2+])Nc1ccccc1)c1cccs1 ZINC000052048086 522657780 /nfs/dbraw/zinc/65/77/80/522657780.db2.gz SLPZEFGLJGOOLN-GFCCVEGCSA-N 1 0 259.378 3.836 10 0 CHAERO CC[C@H]([C@H](O)c1ccccc1)[NH+]1CCC(C)(C)CC1 ZINC000061821476 522929671 /nfs/dbraw/zinc/92/96/71/522929671.db2.gz SYQMSCAEDVRHNX-HZPDHXFCSA-N 1 0 261.409 3.621 10 0 CHAERO CC[C@H]1CCCC[C@@H]1OCc1cc(C[NH3+])c(C)o1 ZINC000052621676 523049559 /nfs/dbraw/zinc/04/95/59/523049559.db2.gz WZODNEOJBKSZDI-WFASDCNBSA-N 1 0 251.370 3.532 10 0 CHAERO CC[C@@H]1CCCC[C@@H]1OCc1cc(C[NH2+]C)c(C)o1 ZINC000052621565 523207167 /nfs/dbraw/zinc/20/71/67/523207167.db2.gz VFRUDQGCLSGSPV-CJNGLKHVSA-N 1 0 265.397 3.793 10 0 CHAERO CCn1cccc1C[NH2+]CCCCCCSC ZINC000234189859 523501943 /nfs/dbraw/zinc/50/19/43/523501943.db2.gz HSKUFETZYKSVFV-UHFFFAOYSA-N 1 0 254.443 3.521 10 0 CHAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000130389423 523583109 /nfs/dbraw/zinc/58/31/09/523583109.db2.gz RSIORIGEPCQKKY-HNNXBMFYSA-N 1 0 298.434 3.547 10 0 CHAERO C[N@H+]([C@@H](CC(N)=S)c1ccccc1)C1CCCCC1 ZINC000055024486 523624466 /nfs/dbraw/zinc/62/44/66/523624466.db2.gz XXUNREYGJHTPNR-HNNXBMFYSA-N 1 0 276.449 3.668 10 0 CHAERO CN(c1ccc(F)cc1)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794271 523639069 /nfs/dbraw/zinc/63/90/69/523639069.db2.gz XJVDNUYESLVIDC-UHFFFAOYSA-N 1 0 277.730 3.531 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCC(F)(F)F)c1C ZINC000211104048 523659711 /nfs/dbraw/zinc/65/97/11/523659711.db2.gz XZCXMIFUVLJKNT-SECBINFHSA-N 1 0 277.334 3.513 10 0 CHAERO CC[C@@]([NH3+])(Cc1cccc(F)c1F)c1ccccc1 ZINC000053759400 523684245 /nfs/dbraw/zinc/68/42/45/523684245.db2.gz UEDUDCQHJHGISD-MRXNPFEDSA-N 1 0 261.315 3.772 10 0 CHAERO CC[C@H](C)C[NH2+]C[C@H](O)c1ccc(CC(C)C)cc1 ZINC000054471214 523883295 /nfs/dbraw/zinc/88/32/95/523883295.db2.gz ZMFLFXGNPWANEZ-YOEHRIQHSA-N 1 0 263.425 3.554 10 0 CHAERO Cc1ccc(C)c(C[C@H]([NH3+])CCc2ccccc2)c1 ZINC000049258442 524109491 /nfs/dbraw/zinc/10/94/91/524109491.db2.gz HMYXPBQNRDTRNM-GOSISDBHSA-N 1 0 253.389 3.806 10 0 CHAERO Cc1cccc(-c2ncc(C[NH2+]CC(C)C)s2)c1 ZINC000052331599 524121687 /nfs/dbraw/zinc/12/16/87/524121687.db2.gz WXTLFGRJXWYZCG-UHFFFAOYSA-N 1 0 260.406 3.864 10 0 CHAERO C[C@H]1CCC[C@@]([NH3+])(c2ccccc2OC(F)(F)F)C1 ZINC000055193473 524171910 /nfs/dbraw/zinc/17/19/10/524171910.db2.gz VWWVHQWYKLEKBF-GWCFXTLKSA-N 1 0 273.298 3.949 10 0 CHAERO COc1ccc(Cl)cc1C[C@@]1(C[NH3+])C[C@H]2CC[C@@H]1C2 ZINC000054634677 524212725 /nfs/dbraw/zinc/21/27/25/524212725.db2.gz QKTLPMCXOUUDKO-NORZTCDRSA-N 1 0 279.811 3.656 10 0 CHAERO COc1ccc(Cl)cc1NCC[C@H]1CCCC[N@@H+]1C ZINC000052205283 524243416 /nfs/dbraw/zinc/24/34/16/524243416.db2.gz KAJMATPUQBVOLC-CYBMUJFWSA-N 1 0 282.815 3.635 10 0 CHAERO C[C@@H](C[NH2+]C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000052966766 524736571 /nfs/dbraw/zinc/73/65/71/524736571.db2.gz HLWFMIBBCUPEBG-SNVBAGLBSA-N 1 0 257.299 3.636 10 0 CHAERO COc1cncc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000290061482 524923405 /nfs/dbraw/zinc/92/34/05/524923405.db2.gz VPUBBXKNWBOMRL-SNVBAGLBSA-N 1 0 294.757 3.734 10 0 CHAERO Cc1cc(F)ccc1[C@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000055225983 525007408 /nfs/dbraw/zinc/00/74/08/525007408.db2.gz AVACFWMORZWPQU-OAHLLOKOSA-N 1 0 265.278 3.655 10 0 CHAERO Cc1ccccc1C[N@@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000062671250 525140100 /nfs/dbraw/zinc/14/01/00/525140100.db2.gz VXGUVDUSIQWXHT-LJQANCHMSA-N 1 0 280.415 3.532 10 0 CHAERO Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)c(Cl)c1 ZINC000156650350 525241531 /nfs/dbraw/zinc/24/15/31/525241531.db2.gz ZKTZZLSSXZNOIZ-UHFFFAOYSA-N 1 0 286.762 3.504 10 0 CHAERO COc1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)cc1 ZINC000120422467 525335476 /nfs/dbraw/zinc/33/54/76/525335476.db2.gz OCSLBUJUMZWSSH-HNAYVOBHSA-N 1 0 298.430 3.649 10 0 CHAERO Cc1cc(OCCCC(C)(C)C[NH3+])ccc1Cl ZINC000057716873 525370030 /nfs/dbraw/zinc/37/00/30/525370030.db2.gz GZALZYMYONBMEU-UHFFFAOYSA-N 1 0 255.789 3.792 10 0 CHAERO Cc1ccccc1[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000129901222 525405852 /nfs/dbraw/zinc/40/58/52/525405852.db2.gz RGFRXVXHDILQNV-INIZCTEOSA-N 1 0 283.419 3.665 10 0 CHAERO Cc1ccccc1[C@H](C[NH2+]C(C)(C)C)OCC1CC1 ZINC000050485299 525422989 /nfs/dbraw/zinc/42/29/89/525422989.db2.gz RGOSTCPLNBGEOF-INIZCTEOSA-N 1 0 261.409 3.851 10 0 CHAERO Cc1cc([C@@H](C)n2c(N)[nH+]c3ccccc32)c(C)s1 ZINC000049510256 525478650 /nfs/dbraw/zinc/47/86/50/525478650.db2.gz JZYZJYCZUJTFJV-SNVBAGLBSA-N 1 0 271.389 3.906 10 0 CHAERO Cc1cc([C@H](C)NC2=[NH+]C(C)(C)CS2)c(C)s1 ZINC000049510487 525514878 /nfs/dbraw/zinc/51/48/78/525514878.db2.gz JMAFJYMCVVTBPX-VIFPVBQESA-N 1 0 268.451 3.897 10 0 CHAERO Cc1cccnc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000071339308 525523923 /nfs/dbraw/zinc/52/39/23/525523923.db2.gz FUZLSWMLYFOZCX-LLVKDONJSA-N 1 0 262.303 3.519 10 0 CHAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccsc1 ZINC000050338856 525539614 /nfs/dbraw/zinc/53/96/14/525539614.db2.gz PBWJYGLMXYIGRV-BBRMVZONSA-N 1 0 274.433 3.702 10 0 CHAERO Cc1cc2ncn([C@H](C)C[NH2+]C(C)(C)C)c2cc1C ZINC000052575713 525685531 /nfs/dbraw/zinc/68/55/31/525685531.db2.gz SNFCCJGVUXHEPU-CYBMUJFWSA-N 1 0 259.397 3.602 10 0 CHAERO C[C@@H](Nc1cc[nH+]cc1N)c1ccc(Br)cc1 ZINC000049525080 525722929 /nfs/dbraw/zinc/72/29/29/525722929.db2.gz XTOGKCYVAJLDDY-SECBINFHSA-N 1 0 292.180 3.599 10 0 CHAERO Cc1ccsc1C[NH2+]CCOc1cc(F)cc(F)c1 ZINC000054935047 525856580 /nfs/dbraw/zinc/85/65/80/525856580.db2.gz XISQLIVOOZCUDX-UHFFFAOYSA-N 1 0 283.343 3.503 10 0 CHAERO Cc1ccc([C@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)cc1 ZINC000054601234 525883603 /nfs/dbraw/zinc/88/36/03/525883603.db2.gz JXMXREBFBFQHHR-CWRNSKLLSA-N 1 0 257.377 3.642 10 0 CHAERO Cc1ccc([C@H](C)NC2=[NH+][C@@H](CC(C)C)CS2)o1 ZINC000049221853 525914212 /nfs/dbraw/zinc/91/42/12/525914212.db2.gz CALOOQGREIPSNS-RYUDHWBXSA-N 1 0 266.410 3.756 10 0 CHAERO Cc1ccc([C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)o1 ZINC000050518355 525962456 /nfs/dbraw/zinc/96/24/56/525962456.db2.gz XBRPCARZCQOOLX-GFCCVEGCSA-N 1 0 269.266 3.849 10 0 CHAERO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cccnc2)o1 ZINC000130942843 525995659 /nfs/dbraw/zinc/99/56/59/525995659.db2.gz BZBSYBOJCJYTPG-OAHLLOKOSA-N 1 0 256.349 3.710 10 0 CHAERO CSc1ccc(NCC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000052205227 526042637 /nfs/dbraw/zinc/04/26/37/526042637.db2.gz DQHPRHKOPDJNFP-AWEZNQCLSA-N 1 0 264.438 3.695 10 0 CHAERO Cc1cc(-c2nc(C)c(C(C)C)c(NN)[nH+]2)c(C)s1 ZINC000061689074 526051980 /nfs/dbraw/zinc/05/19/80/526051980.db2.gz IIDKGFMOKQAEKG-UHFFFAOYSA-N 1 0 276.409 3.539 10 0 CHAERO C[C@H](c1nc(-c2cccs2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000157948177 526172218 /nfs/dbraw/zinc/17/22/18/526172218.db2.gz DQJCONKCPQHIAK-GXFFZTMASA-N 1 0 285.372 3.602 10 0 CHAERO COc1cccc(SCC[NH2+]CCC(C)(C)C)c1 ZINC000053605876 526245801 /nfs/dbraw/zinc/24/58/01/526245801.db2.gz WQBREGQLZLMIHA-UHFFFAOYSA-N 1 0 267.438 3.813 10 0 CHAERO c1ccc2c(c1)CCC[C@@H]2OCC[NH2+]C1CCCC1 ZINC000053559416 526503198 /nfs/dbraw/zinc/50/31/98/526503198.db2.gz BTLONDTVHQMSRQ-KRWDZBQOSA-N 1 0 259.393 3.613 10 0 CHAERO c1ccc2c(c1)OC1(CCCC1)C[C@H]2[NH2+]CC1=CCCOC1 ZINC000127959047 526509719 /nfs/dbraw/zinc/50/97/19/526509719.db2.gz RZZFHIVZQZFLFO-QGZVFWFLSA-N 1 0 299.414 3.759 10 0 CHAERO Cc1nc(-c2ccc(C)c(F)c2)sc1C[NH2+]C1CC1 ZINC000052330837 526566086 /nfs/dbraw/zinc/56/60/86/526566086.db2.gz DPLCYNPGIMFPHH-UHFFFAOYSA-N 1 0 276.380 3.818 10 0 CHAERO c1csc(CCNC2=[NH+]C3(CS2)CCCCC3)c1 ZINC000053097713 526578121 /nfs/dbraw/zinc/57/81/21/526578121.db2.gz VZNNPOQRAYMTED-UHFFFAOYSA-N 1 0 280.462 3.686 10 0 CHAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000247165417 526612144 /nfs/dbraw/zinc/61/21/44/526612144.db2.gz YCKBGBLIAGGRIG-NRUUGDAUSA-N 1 0 273.405 3.573 10 0 CHAERO Cc1oc(C[NH3+])cc1COc1cc(C)ccc1Cl ZINC000052697501 526771650 /nfs/dbraw/zinc/77/16/50/526771650.db2.gz FCFCGZNNAVPYBO-UHFFFAOYSA-N 1 0 265.740 3.588 10 0 CHAERO [NH2+]=C1CCCCN1c1ccc(F)c(C(F)(F)F)c1 ZINC000049584272 526839765 /nfs/dbraw/zinc/83/97/65/526839765.db2.gz HTPIQZRVXHCCPM-UHFFFAOYSA-N 1 0 260.234 3.812 10 0 CHAERO Cc1nc(C[C@H]([NH3+])c2ccc(C(C)(C)C)cc2)cs1 ZINC000055294887 526922019 /nfs/dbraw/zinc/92/20/19/526922019.db2.gz CLFGRXHACNSDCX-HNNXBMFYSA-N 1 0 274.433 3.992 10 0 CHAERO Clc1ccc(-c2cc(C[NH2+]C3CC3)[nH]n2)cc1Cl ZINC000050479268 526932920 /nfs/dbraw/zinc/93/29/20/526932920.db2.gz NIAZNSOWSVQNLI-UHFFFAOYSA-N 1 0 282.174 3.636 10 0 CHAERO Clc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000037374155 526955382 /nfs/dbraw/zinc/95/53/82/526955382.db2.gz MBDCWGPGEBQRCA-UHFFFAOYSA-N 1 0 287.794 3.816 10 0 CHAERO [NH3+]C1(c2ccc(C(F)(F)F)cc2)Cc2ccccc2C1 ZINC000055194366 527132273 /nfs/dbraw/zinc/13/22/73/527132273.db2.gz IMWLSQYGQDTBDB-UHFFFAOYSA-N 1 0 277.289 3.658 10 0 CHAERO [NH3+]CCCCNc1cc(C(F)(F)F)ccc1Cl ZINC000049858612 527176756 /nfs/dbraw/zinc/17/67/56/527176756.db2.gz JHVWCBYNEFJJBX-UHFFFAOYSA-N 1 0 266.694 3.510 10 0 CHAERO [NH3+]C[C@@H](Cc1ccc(Cl)s1)Cc1ccccc1F ZINC000052948351 527201613 /nfs/dbraw/zinc/20/16/13/527201613.db2.gz BTYXBTYLQOFZEA-SNVBAGLBSA-N 1 0 283.799 3.901 10 0 CHAERO [NH3+]C[C@@H](Oc1cccc(F)c1F)c1ccccc1Cl ZINC000062612517 527206849 /nfs/dbraw/zinc/20/68/49/527206849.db2.gz NWZIZBPSXPIMSB-CYBMUJFWSA-N 1 0 283.705 3.697 10 0 CHAERO Cc1ncc(CC2(C[NH2+]C3CC3)CCCCC2)s1 ZINC000062337687 527246814 /nfs/dbraw/zinc/24/68/14/527246814.db2.gz QDWKYVPJMUZOAM-UHFFFAOYSA-N 1 0 264.438 3.697 10 0 CHAERO [NH3+]Cc1ccc(Cl)cc1Oc1ccc(F)cc1F ZINC000062787106 527254935 /nfs/dbraw/zinc/25/49/35/527254935.db2.gz FUITYOVLKXTUPK-UHFFFAOYSA-N 1 0 269.678 3.869 10 0 CHAERO [NH3+][C@H](C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000055368177 527382228 /nfs/dbraw/zinc/38/22/28/527382228.db2.gz NLTWFNPIMARAOQ-ZDUSSCGKSA-N 1 0 295.169 3.632 10 0 CHAERO [NH3+][C@H](CC(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000061703657 527384052 /nfs/dbraw/zinc/38/40/52/527384052.db2.gz CANPORDRAICTLK-MRVPVSSYSA-N 1 0 273.176 3.537 10 0 CHAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000054685536 527389660 /nfs/dbraw/zinc/38/96/60/527389660.db2.gz HELVFKLVPRCWJL-CABCVRRESA-N 1 0 296.197 3.597 10 0 CHAERO [NH3+][C@H](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1O ZINC000054685252 527389863 /nfs/dbraw/zinc/38/98/63/527389863.db2.gz QKVUXVSYSXTFKF-CYBMUJFWSA-N 1 0 296.197 3.812 10 0 CHAERO [NH3+][C@H](c1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000062774589 527390993 /nfs/dbraw/zinc/39/09/93/527390993.db2.gz RVEFEJNBSMUUNT-CYBMUJFWSA-N 1 0 269.241 3.893 10 0 CHAERO [NH3+][C@H](c1ccccc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000054682603 527392282 /nfs/dbraw/zinc/39/22/82/527392282.db2.gz HSMFVAXDTPGGAJ-KGLIPLIRSA-N 1 0 282.170 3.727 10 0 CHAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000237870062 527404285 /nfs/dbraw/zinc/40/42/85/527404285.db2.gz MGFVUUHUAQDQKC-IRXDYDNUSA-N 1 0 296.370 3.545 10 0 CHAERO FC(F)(F)CO[C@@H](C[NH2+]C1CC1)c1ccccc1Cl ZINC000050502186 527671568 /nfs/dbraw/zinc/67/15/68/527671568.db2.gz RUBQIUGQJRHKET-LBPRGKRZSA-N 1 0 293.716 3.712 10 0 CHAERO FC(F)(F)c1ccccc1[C@@H]1C[C@@H]1C[NH2+]C1CC1 ZINC000054595842 527687883 /nfs/dbraw/zinc/68/78/83/527687883.db2.gz KIIPRDFBYYTPLS-BXKDBHETSA-N 1 0 255.283 3.561 10 0 CHAERO CCC[NH2+]C1CCN(c2ccc(C(C)C)cc2)CC1 ZINC000037240468 535157217 /nfs/dbraw/zinc/15/72/17/535157217.db2.gz XILWVXDCTYEFPF-UHFFFAOYSA-N 1 0 260.425 3.778 10 0 CHAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C(C)(C)C)cc1 ZINC000083542013 535264103 /nfs/dbraw/zinc/26/41/03/535264103.db2.gz KYJUSFDUEANGIA-YOEHRIQHSA-N 1 0 274.452 3.807 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(C)c(C)c1 ZINC000083441660 535825313 /nfs/dbraw/zinc/82/53/13/535825313.db2.gz CXCFTHCIBTTXND-NVXWUHKLSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(Cl)cc1Cl ZINC000083536483 536169751 /nfs/dbraw/zinc/16/97/51/536169751.db2.gz FUELPFNDEKPBMD-KOLCDFICSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(Cl)cc1 ZINC000083493788 536169990 /nfs/dbraw/zinc/16/99/90/536169990.db2.gz AESFAMDHGFAROX-ZFWWWQNUSA-N 1 0 266.816 3.553 10 0 CHAERO C[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)N(C)C ZINC000006020070 560204415 /nfs/dbraw/zinc/20/44/15/560204415.db2.gz POZJNEBUHLZROM-LBPRGKRZSA-N 1 0 298.411 3.766 10 0 in-vitro CHAERO COc1ccc(Cc2nccc3cc4c(cc32)OCO4)cc1 ZINC000014444071 560221449 /nfs/dbraw/zinc/22/14/49/560221449.db2.gz SJQUHHVDBQGYPL-UHFFFAOYSA-N 1 0 293.322 3.563 10 0 biogenic,in-vitro CHAERO Cc1[nH+]ccc(N2CCC[C@H](C)[C@@H]2C)c1Br ZINC000669379419 566950730 /nfs/dbraw/zinc/95/07/30/566950730.db2.gz ABCQSKDDUITXDP-ONGXEEELSA-N 1 0 283.213 3.777 10 0 CHAERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1csc(C2CC2)n1 ZINC000328643356 567120992 /nfs/dbraw/zinc/12/09/92/567120992.db2.gz YUVPRUVHHLFIIZ-OCCSQVGLSA-N 1 0 294.464 3.561 10 0 CHAERO CC[NH+](CC)[C@]1(CC)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685952492 567209286 /nfs/dbraw/zinc/20/92/86/567209286.db2.gz MYJXZVNZNXHKQQ-QGZVFWFLSA-N 1 0 298.471 3.898 10 0 CHAERO CC1CC[NH+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952588 567209856 /nfs/dbraw/zinc/20/98/56/567209856.db2.gz NSWKPOWLDYDTDY-OAHLLOKOSA-N 1 0 296.455 3.508 10 0 CHAERO CCOc1c(C[NH2+][C@H](C)CC)cc(Cl)cc1OC ZINC000010474897 567861735 /nfs/dbraw/zinc/86/17/35/567861735.db2.gz DJMLUCJDZZVQKC-SNVBAGLBSA-N 1 0 271.788 3.635 10 0 CHAERO C[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000057353133 567894808 /nfs/dbraw/zinc/89/48/08/567894808.db2.gz XURLIJLVNSBAEJ-UHFFFAOYSA-N 1 0 264.372 3.717 10 0 CHAERO CC(C)n1cc(C[NH2+]Cc2cccnc2)c2ccccc21 ZINC000057353251 567894963 /nfs/dbraw/zinc/89/49/63/567894963.db2.gz QTSZQTVAOJWSBU-UHFFFAOYSA-N 1 0 279.387 3.907 10 0 CHAERO CCCn1cc(C[NH2+]C[C@H]2CCCN2CC)c2ccccc21 ZINC000057353487 567895120 /nfs/dbraw/zinc/89/51/20/567895120.db2.gz IPYSMMQHJQWOJY-QGZVFWFLSA-N 1 0 299.462 3.625 10 0 CHAERO C[NH+](C)[C@@]1(C)CC=C(c2ccc(C=O)c(F)c2)CC1 ZINC000725256675 570259368 /nfs/dbraw/zinc/25/93/68/570259368.db2.gz CZRPLQSBORBAQA-INIZCTEOSA-N 1 0 261.340 3.526 10 0 CHAERO Cc1cc([C@@H]([NH3+])C(C)(C)C)ccc1Br ZINC000162852719 570333032 /nfs/dbraw/zinc/33/30/32/570333032.db2.gz BMTSNVTZZDHDAA-LLVKDONJSA-N 1 0 256.187 3.803 10 0 CHAERO CC(C)(C)[C@@H]1CCCc2sc(CCC[NH3+])nc21 ZINC000675076028 570368513 /nfs/dbraw/zinc/36/85/13/570368513.db2.gz IXARYSHLQFFWFQ-SNVBAGLBSA-N 1 0 252.427 3.500 10 0 CHAERO CC[C@@]1([NH+]2CCCCC2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961346 570406884 /nfs/dbraw/zinc/40/68/84/570406884.db2.gz QSYCDRPGTUBPHZ-QGZVFWFLSA-N 1 0 296.455 3.652 10 0 CHAERO Cc1nc([C@@H]2CCC[N@@H+]2CCc2scnc2C)cs1 ZINC000189755034 1126935412 /nfs/dbraw/zinc/93/54/12/1126935412.db2.gz YHKTVIXBZBEDKB-ZDUSSCGKSA-N 1 0 293.461 3.596 10 0 CHAERO COCCCCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000103227342 1123783296 /nfs/dbraw/zinc/78/32/96/1123783296.db2.gz RUZYLIHIMWOZOM-KRWDZBQOSA-N 1 0 291.435 3.519 10 0 CHAERO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1N ZINC000082316003 177959974 /nfs/dbraw/zinc/95/99/74/177959974.db2.gz COONEOWHTAAIGO-LLVKDONJSA-N 1 0 260.768 3.773 10 0 CHAERO CCCc1nc(C(C)(C)C)sc1C[NH2+]C1CC1 ZINC000082428042 178003695 /nfs/dbraw/zinc/00/36/95/178003695.db2.gz FUGSNXMVMQQHMP-UHFFFAOYSA-N 1 0 252.427 3.645 10 0 CHAERO CC(C)c1nc(-c2ccco2)sc1C[NH2+]C1CC1 ZINC000082431387 178009108 /nfs/dbraw/zinc/00/91/08/178009108.db2.gz GQILSBCZGLVAPI-UHFFFAOYSA-N 1 0 262.378 3.779 10 0 CHAERO CSCc1nc(C(C)C)c(C[NH2+]C(C)C)s1 ZINC000082432666 178010685 /nfs/dbraw/zinc/01/06/85/178010685.db2.gz MVDLRMUNLHRHOQ-UHFFFAOYSA-N 1 0 258.456 3.628 10 0 CHAERO CC[NH2+]Cc1sc(N2CCCC[C@@H]2C)nc1C(C)C ZINC000082434776 178012063 /nfs/dbraw/zinc/01/20/63/178012063.db2.gz FFZOPIBYNYUXNV-LBPRGKRZSA-N 1 0 281.469 3.755 10 0 CHAERO CC(C)c1nc(N2CCC[C@H](C)C2)sc1C[NH2+]C1CC1 ZINC000082434829 178012149 /nfs/dbraw/zinc/01/21/49/178012149.db2.gz LHANSJLQNZQMOO-LBPRGKRZSA-N 1 0 293.480 3.755 10 0 CHAERO CC[NH2+]Cc1sc(-c2ccccc2)nc1C1CC1 ZINC000082435273 178012734 /nfs/dbraw/zinc/01/27/34/178012734.db2.gz CJEJHXDNEGUJFZ-UHFFFAOYSA-N 1 0 258.390 3.797 10 0 CHAERO CC(C)(C)c1nc(-c2ccccn2)sc1C[NH2+]C1CC1 ZINC000082439181 178017246 /nfs/dbraw/zinc/01/72/46/178017246.db2.gz BRUPLLRVOLOBIM-UHFFFAOYSA-N 1 0 287.432 3.755 10 0 CHAERO CC(C)(C)c1nc(-c2ccco2)sc1C[NH2+]C1CC1 ZINC000082440578 178019147 /nfs/dbraw/zinc/01/91/47/178019147.db2.gz QTNISFVYQWPOAP-UHFFFAOYSA-N 1 0 276.405 3.953 10 0 CHAERO CC[NH2+][C@H]1CC2(CCCCC2)Oc2cc(OC)ccc21 ZINC000082509156 178075467 /nfs/dbraw/zinc/07/54/67/178075467.db2.gz XIPOYAXBDGSEBC-HNNXBMFYSA-N 1 0 275.392 3.831 10 0 CHAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1c(C)cc(C)cc1C ZINC000082660759 178147388 /nfs/dbraw/zinc/14/73/88/178147388.db2.gz XBLKMBJTSIJELT-UHFFFAOYSA-N 1 0 285.435 3.852 10 0 CHAERO CC[NH2+]Cc1cnn(-c2cc(C)cc(C)c2)c1C(F)(F)F ZINC000082661866 178149543 /nfs/dbraw/zinc/14/95/43/178149543.db2.gz TZYZNZOUGBDXDS-UHFFFAOYSA-N 1 0 297.324 3.617 10 0 CHAERO CC[NH2+]Cc1cnn(-c2ccc(C)cc2C)c1C(F)(F)F ZINC000082661779 178149613 /nfs/dbraw/zinc/14/96/13/178149613.db2.gz NDMHHXSWDXLVHF-UHFFFAOYSA-N 1 0 297.324 3.617 10 0 CHAERO C[NH2+][C@H](C)c1ccc(F)c(-c2cccc(OC)c2)c1 ZINC000082709726 178220183 /nfs/dbraw/zinc/22/01/83/178220183.db2.gz LPXVPLNLOYMXGM-LLVKDONJSA-N 1 0 259.324 3.782 10 0 CHAERO CC(C)C[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000083256138 178371470 /nfs/dbraw/zinc/37/14/70/178371470.db2.gz PWYKGTUPOGADDA-LLVKDONJSA-N 1 0 260.150 3.634 10 0 CHAERO [NH3+][C@H](c1cc(Br)ccc1F)C1CCCC1 ZINC000083256154 178371730 /nfs/dbraw/zinc/37/17/30/178371730.db2.gz RYRIOCULLSFNGD-LBPRGKRZSA-N 1 0 272.161 3.778 10 0 CHAERO Cc1ccc(Br)cc1[C@H]([NH3+])CC(C)C ZINC000083256139 178371785 /nfs/dbraw/zinc/37/17/85/178371785.db2.gz VAEHOOYRUDNPCY-GFCCVEGCSA-N 1 0 256.187 3.803 10 0 CHAERO COc1ccc(CCCCC[NH3+])c(Cl)c1Cl ZINC000096889500 185123544 /nfs/dbraw/zinc/12/35/44/185123544.db2.gz FIBQJKVVQMSFLC-UHFFFAOYSA-N 1 0 262.180 3.674 10 0 CHAERO CCCC[C@H](CC)C[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC ZINC000083511165 178537989 /nfs/dbraw/zinc/53/79/89/178537989.db2.gz GOXMTZRXJABSHL-YESZJQIVSA-N 1 0 268.489 3.911 10 0 CHAERO CC[C@@H]1CCCCN1c1cccc(Cl)c1CC[NH3+] ZINC000104276006 136526328 /nfs/dbraw/zinc/52/63/28/136526328.db2.gz PDXPTNJVGXDGDR-GFCCVEGCSA-N 1 0 266.816 3.610 10 0 CHAERO CC(C)CCCOc1cc(C[NH3+])nc2ccccc21 ZINC000103916444 185860301 /nfs/dbraw/zinc/86/03/01/185860301.db2.gz WEHYAENKONIGOO-UHFFFAOYSA-N 1 0 258.365 3.509 10 0 CHAERO CC(C)CC[NH2+]CCO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000104005320 185879899 /nfs/dbraw/zinc/87/98/99/185879899.db2.gz MVIGEFKQKVJKTA-CABCVRRESA-N 1 0 255.446 3.854 10 0 CHAERO CCN(C[C@H]1CCCCC[C@@H]1[NH3+])c1cccc(C)c1 ZINC000104013677 185882972 /nfs/dbraw/zinc/88/29/72/185882972.db2.gz DPIUFPAXXQVZOW-WBVHZDCISA-N 1 0 260.425 3.729 10 0 CHAERO Cc1cc(C)cc(N(C)[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000103993285 185877138 /nfs/dbraw/zinc/87/71/38/185877138.db2.gz LSAMVSUZMSDWMI-KRWDZBQOSA-N 1 0 260.425 3.647 10 0 CHAERO CCC[C@@](C)(C[NH2+]C)CN(CC)c1ccc(C)cc1 ZINC000103997426 185878587 /nfs/dbraw/zinc/87/85/87/185878587.db2.gz POSAUSIOGCBSHJ-KRWDZBQOSA-N 1 0 262.441 3.847 10 0 CHAERO Cc1ccccc1N(C)CC(C)(C)C[NH2+]CC(C)C ZINC000104001798 185879211 /nfs/dbraw/zinc/87/92/11/185879211.db2.gz ATHDCAJXCKOUIE-UHFFFAOYSA-N 1 0 262.441 3.703 10 0 CHAERO CC[C@H]([NH3+])Cc1c(Cl)cccc1N1CCCC1(C)C ZINC000104265711 185948617 /nfs/dbraw/zinc/94/86/17/185948617.db2.gz XPSWASMFOABIQF-LBPRGKRZSA-N 1 0 280.843 3.999 10 0 CHAERO CC(C)[C@@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000104362321 185983518 /nfs/dbraw/zinc/98/35/18/185983518.db2.gz NPACIJYTDJAHOT-ABAIWWIYSA-N 1 0 296.252 3.941 10 0 CHAERO CC1(C[NH2+]Cc2ccc(O)c(Br)c2)CCCC1 ZINC000104448574 186005987 /nfs/dbraw/zinc/00/59/87/186005987.db2.gz BYYOGEWTYHGKOP-UHFFFAOYSA-N 1 0 298.224 3.825 10 0 CHAERO Cc1cccc(O[C@@H]2CCCc3ccccc3[C@@H]2[NH3+])c1 ZINC000020549053 184535801 /nfs/dbraw/zinc/53/58/01/184535801.db2.gz YESUYZHTAQGKJY-MSOLQXFVSA-N 1 0 267.372 3.779 10 0 CHAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3c2)cn1 ZINC000171413467 335065290 /nfs/dbraw/zinc/06/52/90/335065290.db2.gz BSKKVZRJQGMWQP-IBGZPJMESA-N 1 0 291.398 3.910 10 0 CHAERO CC[C@@H]1CN(c2ccccc2C(C)C)[C@@H](CC)C[NH2+]1 ZINC000083441603 135021529 /nfs/dbraw/zinc/02/15/29/135021529.db2.gz FVDYSKJWJJYBCS-CABCVRRESA-N 1 0 260.425 3.777 10 0 CHAERO CCCCc1ccc(N2C[C@H](CC)[NH2+]C[C@@H]2C)cc1 ZINC000083441445 135021540 /nfs/dbraw/zinc/02/15/40/135021540.db2.gz HUCCHVYQTMLJME-HOCLYGCPSA-N 1 0 260.425 3.606 10 0 CHAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccccc1Cl ZINC000083493791 135024804 /nfs/dbraw/zinc/02/48/04/135024804.db2.gz RYWSKZXZVQJKGD-OCCSQVGLSA-N 1 0 266.816 3.553 10 0 CHAERO CC[C@@H]1CN(c2cccc(Cl)c2Cl)[C@H](C)C[NH2+]1 ZINC000083536440 135027794 /nfs/dbraw/zinc/02/77/94/135027794.db2.gz USYVCXKTBVKIBX-NXEZZACHSA-N 1 0 273.207 3.570 10 0 CHAERO Cc1ccc(F)c(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083587393 135030062 /nfs/dbraw/zinc/03/00/62/135030062.db2.gz FSJNJYWERLEFQR-NVXWUHKLSA-N 1 0 278.415 3.593 10 0 CHAERO CC(C)(C)c1ccc(-c2csc(CC[NH3+])n2)cc1 ZINC000003708169 169908380 /nfs/dbraw/zinc/90/83/80/169908380.db2.gz VBXMONKSABCCOS-UHFFFAOYSA-N 1 0 260.406 3.609 10 0 CHAERO O=C(CC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000005670997 170126509 /nfs/dbraw/zinc/12/65/09/170126509.db2.gz UBKAUHRYYWERDL-UHFFFAOYSA-N 1 0 296.208 3.508 10 0 CHAERO CCC[NH+](CCC)[C@H]1CCc2c(O)c(C)ccc2C1 ZINC000005833068 170144778 /nfs/dbraw/zinc/14/47/78/170144778.db2.gz LHVIJZCQQQHWGY-HNNXBMFYSA-N 1 0 261.409 3.680 10 0 CHAERO CCC[NH+](CCC)[C@@H]1CCCc2c(O)cccc2C1 ZINC000005832952 170144802 /nfs/dbraw/zinc/14/48/02/170144802.db2.gz FDQAYOHCSPSZJR-OAHLLOKOSA-N 1 0 261.409 3.762 10 0 CHAERO C[NH+](C)CCC[C@@]1(c2ccccc2)OCc2ccccc21 ZINC000005957752 170162075 /nfs/dbraw/zinc/16/20/75/170162075.db2.gz RNMJRHMRVJNPGK-IBGZPJMESA-N 1 0 281.399 3.802 10 0 CHAERO C[NH+](C)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000005965219 170163651 /nfs/dbraw/zinc/16/36/51/170163651.db2.gz DXJUCAUQIHNOAF-WMZOPIPTSA-N 1 0 251.373 3.695 10 0 in-vitro CHAERO CC[NH+](CC)c1ccc(NCc2ccncc2)cc1 ZINC000008701106 170346582 /nfs/dbraw/zinc/34/65/82/170346582.db2.gz BTODJOZFOJOHRY-UHFFFAOYSA-N 1 0 255.365 3.540 10 0 CHAERO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)c2ccc(Cl)cc2)C1 ZINC000009997491 170394418 /nfs/dbraw/zinc/39/44/18/170394418.db2.gz JSIPRAGSJLDYGQ-VXGBXAGGSA-N 1 0 265.784 3.501 10 0 CHAERO CCc1ccc([C@H]([NH3+])Cc2ccc(OC)c(OC)c2)cc1 ZINC000011605326 170426839 /nfs/dbraw/zinc/42/68/39/170426839.db2.gz DUQRTNGJQOLHLF-MRXNPFEDSA-N 1 0 285.387 3.509 10 0 CHAERO C[C@@H]([NH3+])c1ccc(Oc2cc(-c3ccccc3)ncn2)cc1 ZINC000011849474 170447169 /nfs/dbraw/zinc/44/71/69/170447169.db2.gz IDZIPWXSZAOIRO-CYBMUJFWSA-N 1 0 291.354 3.956 10 0 CHAERO Cc1cc(C)c(C)c(OCc2ccc(C[NH3+])cc2)c1 ZINC000011945366 170459998 /nfs/dbraw/zinc/45/99/98/170459998.db2.gz WMZMJTHUECQBKR-UHFFFAOYSA-N 1 0 255.361 3.650 10 0 CHAERO CCC[NH+](CCC)C[C@@H]1CCc2sccc2C1 ZINC000013474747 170554204 /nfs/dbraw/zinc/55/42/04/170554204.db2.gz AFLPJFUVXSSHKS-CYBMUJFWSA-N 1 0 251.439 3.975 10 0 CHAERO CC(C)(C)C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019474191 170806703 /nfs/dbraw/zinc/80/67/03/170806703.db2.gz PBIXRTOMJWULAA-NSHDSACASA-N 1 0 256.187 3.885 10 0 CHAERO C[NH2+]CCCOc1ccc(Br)cc1C(C)C ZINC000019777030 170860511 /nfs/dbraw/zinc/86/05/11/170860511.db2.gz RGHRARAAHILUTD-UHFFFAOYSA-N 1 0 286.213 3.561 10 0 CHAERO Cc1cccc(COc2ccc(CC[C@@H](C)[NH3+])cc2)c1 ZINC000019803064 170871778 /nfs/dbraw/zinc/87/17/78/170871778.db2.gz WWJNSNIWJAIJFN-OAHLLOKOSA-N 1 0 269.388 3.854 10 0 CHAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1c(F)cccc1F ZINC000019803575 170872370 /nfs/dbraw/zinc/87/23/70/170872370.db2.gz YMRPNFIJKCNWOV-MRXNPFEDSA-N 1 0 290.357 3.800 10 0 CHAERO NC(=[NH2+])CCN(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000019808560 170877397 /nfs/dbraw/zinc/87/73/97/170877397.db2.gz JPSIKTVJORJUMM-UHFFFAOYSA-N 1 0 287.794 3.673 10 0 CHAERO C[C@H]([NH3+])c1cc(F)ccc1Sc1nc2ccccc2[nH]1 ZINC000019873966 170903831 /nfs/dbraw/zinc/90/38/31/170903831.db2.gz VJZFRBNQBXHUSG-VIFPVBQESA-N 1 0 287.363 3.873 10 0 CHAERO CCCc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000019918923 170927039 /nfs/dbraw/zinc/92/70/39/170927039.db2.gz GTTXCJLMGCANLP-IGEOTXOUSA-N 1 0 261.409 3.593 10 0 CHAERO C[C@@H]([NH2+][C@H]1COc2cc(O)ccc21)c1ccc(Cl)cc1 ZINC000020121993 171001999 /nfs/dbraw/zinc/00/19/99/171001999.db2.gz BTVGMKIROVEFHX-BMIGLBTASA-N 1 0 289.762 3.830 10 0 CHAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129351 171016907 /nfs/dbraw/zinc/01/69/07/171016907.db2.gz CTMBNTJVHVHCCU-DZGCQCFKSA-N 1 0 274.433 3.702 10 0 CHAERO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccccc1F ZINC000020129353 171016992 /nfs/dbraw/zinc/01/69/92/171016992.db2.gz CAMYMHRMZJKSBW-KSSFIOAISA-N 1 0 286.394 3.779 10 0 CHAERO Cc1ccc([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)o1 ZINC000020129380 171017305 /nfs/dbraw/zinc/01/73/05/171017305.db2.gz QLXXLFYRPMZDCK-GDBMZVCRSA-N 1 0 272.392 3.542 10 0 CHAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129415 171018293 /nfs/dbraw/zinc/01/82/93/171018293.db2.gz PJAKJJLRVNLEOH-KBXCAEBGSA-N 1 0 286.394 3.779 10 0 CHAERO c1csc(C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000020136006 171023403 /nfs/dbraw/zinc/02/34/03/171023403.db2.gz GBHMAYKGESPXER-UHFFFAOYSA-N 1 0 260.387 3.648 10 0 CHAERO C[C@H](C[NH2+][C@@H](C)c1ccc(O)cc1)c1ccccc1 ZINC000020137082 171024420 /nfs/dbraw/zinc/02/44/20/171024420.db2.gz UTNUMIUVWHJLMG-KGLIPLIRSA-N 1 0 255.361 3.847 10 0 CHAERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccncc2)cc1C ZINC000020140426 171027172 /nfs/dbraw/zinc/02/71/72/171027172.db2.gz SVGOQGPTDDOILX-OAHLLOKOSA-N 1 0 254.377 3.858 10 0 CHAERO CSc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N(C)C)cc1 ZINC000020145888 171031925 /nfs/dbraw/zinc/03/19/25/171031925.db2.gz NBCQWWKQMMWASR-XJKSGUPXSA-N 1 0 280.481 3.645 10 0 CHAERO Clc1ccc(C[NH2+]CCCOCc2ccco2)cc1 ZINC000020146948 171033678 /nfs/dbraw/zinc/03/36/78/171033678.db2.gz NYNUNIDNXHCGHP-UHFFFAOYSA-N 1 0 279.767 3.630 10 0 CHAERO C[C@@H]([NH2+]CCCOCc1ccco1)c1ccc(F)cc1 ZINC000020147040 171033944 /nfs/dbraw/zinc/03/39/44/171033944.db2.gz VSYJDIBJVBRKBS-CYBMUJFWSA-N 1 0 277.339 3.676 10 0 CHAERO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000020147779 171035345 /nfs/dbraw/zinc/03/53/45/171035345.db2.gz FRVYOUQGXCBEDG-JTQLQIEISA-N 1 0 265.278 3.955 10 0 CHAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)[C@@H]1CCCO1 ZINC000020206228 171071080 /nfs/dbraw/zinc/07/10/80/171071080.db2.gz NQXIHVJUYLMNAS-JQFCIGGWSA-N 1 0 259.393 3.611 10 0 CHAERO Cc1cccc([C@@H](C[NH3+])N(C)Cc2cccc(Cl)c2)c1 ZINC000020225499 171088935 /nfs/dbraw/zinc/08/89/35/171088935.db2.gz LRLQGHUMVWEEGC-QGZVFWFLSA-N 1 0 288.822 3.780 10 0 CHAERO CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225958 171090069 /nfs/dbraw/zinc/09/00/69/171090069.db2.gz FAFXISLCBHJIOT-INIZCTEOSA-N 1 0 292.785 3.611 10 0 CHAERO CCOc1ccc([C@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020226257 171091867 /nfs/dbraw/zinc/09/18/67/171091867.db2.gz RZOJSLJENHCKIX-SFHVURJKSA-N 1 0 290.451 3.597 10 0 CHAERO [NH3+]CCCN(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000020236905 171096588 /nfs/dbraw/zinc/09/65/88/171096588.db2.gz VGWLQDGZPPMSCW-UHFFFAOYSA-N 1 0 274.795 3.695 10 0 CHAERO c1csc(CC[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000020246296 171099581 /nfs/dbraw/zinc/09/95/81/171099581.db2.gz GIKVWEARLHMINT-UHFFFAOYSA-N 1 0 268.385 3.629 10 0 CHAERO CC[NH+](CC)CC[C@H](N)c1ccc(Cl)c(Cl)c1 ZINC000020274025 171130689 /nfs/dbraw/zinc/13/06/89/171130689.db2.gz JPCUJCSZCDCDDK-ZDUSSCGKSA-N 1 0 275.223 3.725 10 0 CHAERO CCCC[NH+](CCCC)[C@@]1(CN)CCC[C@H](C)C1 ZINC000020362693 171161420 /nfs/dbraw/zinc/16/14/20/171161420.db2.gz QTKWKJAEBOXCAF-HOTGVXAUSA-N 1 0 254.462 3.796 10 0 CHAERO CCCC[NH+](CCCC)[C@@]1(CN)CCC[C@@H](C)C1 ZINC000020362691 171161593 /nfs/dbraw/zinc/16/15/93/171161593.db2.gz QTKWKJAEBOXCAF-CVEARBPZSA-N 1 0 254.462 3.796 10 0 CHAERO C[C@@H](Nc1cc[nH+]cc1N)C12CC3CC(CC(C3)C1)C2 ZINC000020382014 171172351 /nfs/dbraw/zinc/17/23/51/171172351.db2.gz XDMJCGWOJWOJFA-SFCYXTAJSA-N 1 0 271.408 3.681 10 0 CHAERO CCc1ccc(-n2cc(C[NH3+])c(-c3ccccc3)n2)cc1 ZINC000020390794 171179313 /nfs/dbraw/zinc/17/93/13/171179313.db2.gz PCGYACPMSUCGAF-UHFFFAOYSA-N 1 0 277.371 3.560 10 0 CHAERO [NH3+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000020390689 171179568 /nfs/dbraw/zinc/17/95/68/171179568.db2.gz IEZWLCDZTHFEKH-UHFFFAOYSA-N 1 0 283.762 3.651 10 0 CHAERO [NH3+][C@@H](CCC1CCCC1)Cc1nc2ccccc2o1 ZINC000020427948 171193336 /nfs/dbraw/zinc/19/33/36/171193336.db2.gz IDAFKMURDJCQOX-ZDUSSCGKSA-N 1 0 258.365 3.668 10 0 CHAERO [NH3+][C@@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000020429055 171194182 /nfs/dbraw/zinc/19/41/82/171194182.db2.gz PMWGNZVFAXRYBH-ZDUSSCGKSA-N 1 0 267.159 3.631 10 0 CHAERO Cc1cccc([C@@H]([NH3+])c2ccc(OC(C)C)cc2)c1 ZINC000020434826 171200606 /nfs/dbraw/zinc/20/06/06/171200606.db2.gz BFDLPAGKVLIFHH-KRWDZBQOSA-N 1 0 255.361 3.830 10 0 CHAERO COc1ccccc1Oc1cccc(Cl)c1C[NH3+] ZINC000020470303 171212467 /nfs/dbraw/zinc/21/24/67/171212467.db2.gz DUVKENDVIJNGKI-UHFFFAOYSA-N 1 0 263.724 3.600 10 0 CHAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000020482263 171223206 /nfs/dbraw/zinc/22/32/06/171223206.db2.gz OYUWUTDONGHAJI-MLGOLLRUSA-N 1 0 263.381 3.674 10 0 CHAERO CCCC[NH+](CCCC)[C@@H](CN)c1cccs1 ZINC000020484837 171224503 /nfs/dbraw/zinc/22/45/03/171224503.db2.gz GETOCYUNYOFTCU-ZDUSSCGKSA-N 1 0 254.443 3.650 10 0 CHAERO COc1ccc(OC[C@@H]([NH3+])c2c(C)cc(C)cc2C)cc1 ZINC000020554820 171249625 /nfs/dbraw/zinc/24/96/25/171249625.db2.gz RBGZGTNTRNWCHH-QGZVFWFLSA-N 1 0 285.387 3.699 10 0 CHAERO CN(C)[C@H](C[NH2+]CCCc1ccccc1)c1ccccc1 ZINC000020557839 171250617 /nfs/dbraw/zinc/25/06/17/171250617.db2.gz BDLXVDWGQCQBPG-LJQANCHMSA-N 1 0 282.431 3.512 10 0 CHAERO Cc1ccc(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000020561526 171251919 /nfs/dbraw/zinc/25/19/19/171251919.db2.gz JGHGIRSXNHGJIU-VNQPRFMTSA-N 1 0 261.409 3.916 10 0 CHAERO CCC[C@H]([NH2+]C[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000020564571 171253537 /nfs/dbraw/zinc/25/35/37/171253537.db2.gz FJQQWVGIODCIIV-DLBZAZTESA-N 1 0 262.441 3.704 10 0 CHAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCCOCc1ccco1 ZINC000020567243 171255191 /nfs/dbraw/zinc/25/51/91/171255191.db2.gz CXLCIPIUSJWTGD-KBPBESRZSA-N 1 0 265.397 3.601 10 0 CHAERO COc1cccc(C[C@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020587201 171259371 /nfs/dbraw/zinc/25/93/71/171259371.db2.gz KNGVPBKFDRKUCJ-KRWDZBQOSA-N 1 0 255.361 3.555 10 0 CHAERO CCCOc1ccccc1C[NH2+]CCc1ccccc1OC ZINC000020924623 171279795 /nfs/dbraw/zinc/27/97/95/171279795.db2.gz QDNKKGIBKLPNDY-UHFFFAOYSA-N 1 0 299.414 3.816 10 0 CHAERO CCc1ccc(O[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000021013942 171288929 /nfs/dbraw/zinc/28/89/29/171288929.db2.gz MKZDRTFSBOXCQD-DYVFJYSZSA-N 1 0 255.361 3.716 10 0 CHAERO CC1CC[NH+](C[C@H](N)c2ccc(C(C)(C)C)cc2)CC1 ZINC000021030344 171291729 /nfs/dbraw/zinc/29/17/29/171291729.db2.gz NOQAVMWIYQDZJE-KRWDZBQOSA-N 1 0 274.452 3.716 10 0 CHAERO N[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1[NH+]1CCCCCC1 ZINC000021039140 171292990 /nfs/dbraw/zinc/29/29/90/171292990.db2.gz HRTQGENBYQAFPX-KURKYZTESA-N 1 0 272.436 3.526 10 0 CHAERO COc1ccc(OC[C@@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000021045198 171294024 /nfs/dbraw/zinc/29/40/24/171294024.db2.gz SFNOKKAOGBDNSY-ZDUSSCGKSA-N 1 0 277.408 3.514 10 0 CHAERO CCC1CCC([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000021048607 171294422 /nfs/dbraw/zinc/29/44/22/171294422.db2.gz CKNWVKPRFITFJR-UHFFFAOYSA-N 1 0 286.463 3.998 10 0 CHAERO Cc1ccc([C@H]([NH3+])COc2cc(C)cc(C)c2)c(C)c1 ZINC000021047163 171294545 /nfs/dbraw/zinc/29/45/45/171294545.db2.gz TXAOZCJXLGXGBO-GOSISDBHSA-N 1 0 269.388 3.999 10 0 CHAERO CN(C)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021054066 171295519 /nfs/dbraw/zinc/29/55/19/171295519.db2.gz LMQKXFYGYYONQT-UONOGXRCSA-N 1 0 254.462 3.521 10 0 CHAERO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](N)c2ccc(C(C)(C)C)cc2)C1 ZINC000021059837 171296821 /nfs/dbraw/zinc/29/68/21/171296821.db2.gz CTQANEYRCWMJON-RVKKMQEKSA-N 1 0 288.479 3.962 10 0 CHAERO Cc1ccccc1[C@H]1[NH2+]Cc2ccccc2-n2cccc21 ZINC000021164207 171298893 /nfs/dbraw/zinc/29/88/93/171298893.db2.gz XTCIHHNQFPJCJP-LJQANCHMSA-N 1 0 274.367 3.978 10 0 CHAERO Cc1cc(C)c(C[NH2+]CCCOCc2ccco2)c(C)c1 ZINC000021502683 171306287 /nfs/dbraw/zinc/30/62/87/171306287.db2.gz AJQXCXXCHTVCJR-UHFFFAOYSA-N 1 0 287.403 3.901 10 0 CHAERO Cc1ccc(O[C@H](C)[C@H]([NH3+])c2ccccc2)cc1C ZINC000021507885 171308673 /nfs/dbraw/zinc/30/86/73/171308673.db2.gz ZYGLRYVDYMBSDX-PBHICJAKSA-N 1 0 255.361 3.771 10 0 CHAERO CCc1cccc(OC[C@@H]([NH3+])c2ccc(C)cc2)c1 ZINC000021508561 171308863 /nfs/dbraw/zinc/30/88/63/171308863.db2.gz HSNZPPYYGSFEDK-QGZVFWFLSA-N 1 0 255.361 3.636 10 0 CHAERO CCCc1ccc([C@H]([NH3+])CN2CCc3ccccc32)cc1 ZINC000021513248 171311481 /nfs/dbraw/zinc/31/14/81/171311481.db2.gz USGZLHMCLSURJS-GOSISDBHSA-N 1 0 280.415 3.702 10 0 CHAERO COc1ccc(O[C@H](C(C)C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000021515768 171312484 /nfs/dbraw/zinc/31/24/84/171312484.db2.gz LNTAFYSXDCUKCR-QZTJIDSGSA-N 1 0 285.387 3.799 10 0 CHAERO CC[C@H](Oc1cccc(C)c1)[C@H]([NH3+])c1ccccc1 ZINC000021518658 171315068 /nfs/dbraw/zinc/31/50/68/171315068.db2.gz NFTGADABOBMIAZ-DLBZAZTESA-N 1 0 255.361 3.852 10 0 CHAERO CC(C)c1ccc(O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000021792062 171324376 /nfs/dbraw/zinc/32/43/76/171324376.db2.gz FIUDKLHLSBFSBL-MSOLQXFVSA-N 1 0 267.372 3.814 10 0 CHAERO CCCOc1ccccc1O[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000021800931 171325955 /nfs/dbraw/zinc/32/59/55/171325955.db2.gz DQQXSVCOTAUJHR-GJZGRUSLSA-N 1 0 277.408 3.904 10 0 CHAERO Cc1cc([C@H](C)[NH2+]C[C@H](C(C)C)N(C)C)c(C)s1 ZINC000021809139 171328674 /nfs/dbraw/zinc/32/86/74/171328674.db2.gz WAOLXFDUXPAZQC-SWLSCSKDSA-N 1 0 268.470 3.602 10 0 CHAERO CC(C)[C@@H](Oc1ccccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000021814134 171331256 /nfs/dbraw/zinc/33/12/56/171331256.db2.gz BXYMXBDTTRMTDG-DLBZAZTESA-N 1 0 273.351 3.929 10 0 CHAERO [NH3+]CCc1ccc(Oc2ccc3ccccc3n2)cc1 ZINC000021958484 171341730 /nfs/dbraw/zinc/34/17/30/171341730.db2.gz AZOICHDNUQAIDT-UHFFFAOYSA-N 1 0 264.328 3.528 10 0 CHAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000022015190 171349641 /nfs/dbraw/zinc/34/96/41/171349641.db2.gz CADFGPVIPSNJQM-ZDUSSCGKSA-N 1 0 276.380 3.501 10 0 CHAERO CC(C)c1cccc(O[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000022151013 171358451 /nfs/dbraw/zinc/35/84/51/171358451.db2.gz JWEIKAWHBVPCMV-QZTJIDSGSA-N 1 0 267.372 3.814 10 0 CHAERO CCC[NH+](CCC)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000022150963 171358719 /nfs/dbraw/zinc/35/87/19/171358719.db2.gz ZSNYVBGLFJOBHJ-IRXDYDNUSA-N 1 0 260.425 3.513 10 0 CHAERO CC(C)(C)c1ccccc1Oc1cc(C[NH3+])ccn1 ZINC000022216222 171376049 /nfs/dbraw/zinc/37/60/49/171376049.db2.gz IDUWXRWGVPEEDR-UHFFFAOYSA-N 1 0 256.349 3.630 10 0 CHAERO CC[C@@H](C)c1ccccc1Oc1ncccc1C[NH3+] ZINC000022222257 171378918 /nfs/dbraw/zinc/37/89/18/171378918.db2.gz FFLCBEJDQJGLIE-GFCCVEGCSA-N 1 0 256.349 3.846 10 0 CHAERO [NH3+][C@@H](COC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000022565785 171391757 /nfs/dbraw/zinc/39/17/57/171391757.db2.gz BQKFVNCIYMWSRO-ZDUSSCGKSA-N 1 0 273.298 3.664 10 0 CHAERO COc1ccccc1OC[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000022567166 171392667 /nfs/dbraw/zinc/39/26/67/171392667.db2.gz RCPJDBUWPYGCLL-HNNXBMFYSA-N 1 0 285.387 3.699 10 0 CHAERO [NH3+]C[C@@H](Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000026442667 171484860 /nfs/dbraw/zinc/48/48/60/171484860.db2.gz IAGIHFQTKMPFMA-CQSZACIVSA-N 1 0 280.293 3.817 10 0 CHAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(C2CCCCC2)CC1 ZINC000028239542 171553166 /nfs/dbraw/zinc/55/31/66/171553166.db2.gz VQLVHYIOCYCAQV-SJORKVTESA-N 1 0 265.441 3.582 10 0 CHAERO Fc1ccc(N2c3ccc(F)cc3[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000029563610 171604058 /nfs/dbraw/zinc/60/40/58/171604058.db2.gz DCTSSEIHVASKBC-WBVHZDCISA-N 1 0 286.325 3.562 10 0 CHAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C)c(Cl)c1 ZINC000029577392 171604984 /nfs/dbraw/zinc/60/49/84/171604984.db2.gz INNGAXKMFDXXPA-VXGBXAGGSA-N 1 0 282.815 3.610 10 0 CHAERO CC[NH2+]Cc1cc(Br)ccc1OCC(C)C ZINC000034659428 171851726 /nfs/dbraw/zinc/85/17/26/171851726.db2.gz XZGIZIGEIIJJFN-UHFFFAOYSA-N 1 0 286.213 3.593 10 0 CHAERO CCCCCOc1ccc([C@H](C)[NH2+]C)cc1OC ZINC000034819784 171872713 /nfs/dbraw/zinc/87/27/13/171872713.db2.gz FBZNPNIPYLWZBM-LBPRGKRZSA-N 1 0 251.370 3.545 10 0 CHAERO C[C@@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000035009547 171926589 /nfs/dbraw/zinc/92/65/89/171926589.db2.gz MIMYUEHRWHAHHZ-LUTGFWOYSA-N 1 0 286.463 3.675 10 0 CHAERO Cc1ccc(C)c(C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000035020410 171939675 /nfs/dbraw/zinc/93/96/75/171939675.db2.gz FPBRPBVAHKFLMS-HNNXBMFYSA-N 1 0 259.393 3.751 10 0 CHAERO CCC1CCC(C[NH3+])(N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000035176780 172029765 /nfs/dbraw/zinc/02/97/65/172029765.db2.gz WNQVWQOWSXNPHK-SAGYGOJTSA-N 1 0 278.484 3.939 10 0 CHAERO CC1CCC(C[NH3+])(N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000035176763 172030364 /nfs/dbraw/zinc/03/03/64/172030364.db2.gz GUWDKLRVFNCEGX-GMRIPVOYSA-N 1 0 264.457 3.549 10 0 CHAERO CC(C)[C@@H]([C@@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000035206601 172050666 /nfs/dbraw/zinc/05/06/66/172050666.db2.gz PSJJPWLLDPPLMW-OALUTQOASA-N 1 0 282.431 3.843 10 0 CHAERO CC(C)[C@@H]([C@H](N)c1ccccc1)[N@H+](C)C1CCCCC1 ZINC000035219785 172061104 /nfs/dbraw/zinc/06/11/04/172061104.db2.gz YCXBKAJKCLKQHJ-MSOLQXFVSA-N 1 0 274.452 3.976 10 0 CHAERO FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000035273176 172093637 /nfs/dbraw/zinc/09/36/37/172093637.db2.gz IUCPYFPKDMFMMH-GHMZBOCLSA-N 1 0 293.354 3.728 10 0 CHAERO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)s1)N(C)C ZINC000035286239 172104705 /nfs/dbraw/zinc/10/47/05/172104705.db2.gz ICXIZNFRECTXCQ-MNOVXSKESA-N 1 0 274.861 3.638 10 0 CHAERO [NH3+][C@@H](c1ccc(Cl)s1)c1cc2c(s1)CCC2 ZINC000035381248 172163442 /nfs/dbraw/zinc/16/34/42/172163442.db2.gz YJSNZKCGLBEBQJ-LBPRGKRZSA-N 1 0 269.822 4.000 10 0 CHAERO [NH3+][C@@H](c1cc2c(s1)CCC2)c1c(F)cc(F)cc1F ZINC000035381145 172163522 /nfs/dbraw/zinc/16/35/22/172163522.db2.gz RUBQTNFPIZJWID-AWEZNQCLSA-N 1 0 283.318 3.702 10 0 CHAERO C[C@@H]([NH3+])c1c(F)cccc1O[C@@H]1CCCC[C@H]1C ZINC000035439008 172202471 /nfs/dbraw/zinc/20/24/71/172202471.db2.gz JJASBTSYNASIQW-NQBHXWOUSA-N 1 0 251.345 3.803 10 0 CHAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc2c(s1)CCC2 ZINC000035458689 172207593 /nfs/dbraw/zinc/20/75/93/172207593.db2.gz VJTPVNARISQNSE-AWEZNQCLSA-N 1 0 263.431 3.916 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(C)c(C)c1 ZINC000035457573 172207833 /nfs/dbraw/zinc/20/78/33/172207833.db2.gz JWNFOVNOVZNASE-KRWDZBQOSA-N 1 0 257.352 3.946 10 0 CHAERO CCc1ccc([C@H]([NH2+]C)c2ccc(C)s2)s1 ZINC000035460530 172208988 /nfs/dbraw/zinc/20/89/88/172208988.db2.gz SKYGCFAXNQTFMC-CYBMUJFWSA-N 1 0 251.420 3.989 10 0 CHAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000035462961 172210684 /nfs/dbraw/zinc/21/06/84/172210684.db2.gz MJVWFBYMOKWQDN-SECBINFHSA-N 1 0 282.103 3.662 10 0 CHAERO C[NH2+][C@@H](c1occc1C)c1ccc(Br)cc1 ZINC000035462347 172210820 /nfs/dbraw/zinc/21/08/20/172210820.db2.gz RVTNBITXFXTAGW-GFCCVEGCSA-N 1 0 280.165 3.659 10 0 CHAERO CCCCC[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463236 172211168 /nfs/dbraw/zinc/21/11/68/172211168.db2.gz ZWXQYSJIAXUIOX-CYBMUJFWSA-N 1 0 251.370 3.545 10 0 CHAERO C[NH2+][C@H](c1ccc(F)cc1)c1cc(Cl)ccc1OC ZINC000035463732 172211869 /nfs/dbraw/zinc/21/18/69/172211869.db2.gz RZTJBZFZAIIZFB-OAHLLOKOSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@H](c1ccc(OC)cc1)c1ccc(C)cc1C ZINC000035465917 172213121 /nfs/dbraw/zinc/21/31/21/172213121.db2.gz XFQSEIAWVXIFJV-QGZVFWFLSA-N 1 0 255.361 3.621 10 0 CHAERO C[NH2+][C@@H](c1cccc(OC)c1)c1ccc(C)cc1C ZINC000035468218 172217112 /nfs/dbraw/zinc/21/71/12/172217112.db2.gz NHNLVQQLVFWSHM-KRWDZBQOSA-N 1 0 255.361 3.621 10 0 CHAERO C[NH2+][C@H](c1ccc(C)cc1C)c1cc(F)ccc1F ZINC000035468789 172218953 /nfs/dbraw/zinc/21/89/53/172218953.db2.gz HLEIJSMJVNEQMA-MRXNPFEDSA-N 1 0 261.315 3.890 10 0 CHAERO CCCSC1=[NH+]c2ccccc2NC(CC(=O)OC)=C1 ZINC000035480682 172222185 /nfs/dbraw/zinc/22/21/85/172222185.db2.gz YVPYXYQOMZKKBF-UHFFFAOYSA-N 1 0 290.388 3.732 10 0 CHAERO C[NH2+][C@H](c1cc(F)cc(F)c1)c1cc(C)ccc1C ZINC000035489783 172224674 /nfs/dbraw/zinc/22/46/74/172224674.db2.gz RZPPFPIPRQBMAU-MRXNPFEDSA-N 1 0 261.315 3.890 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000035494222 172227933 /nfs/dbraw/zinc/22/79/33/172227933.db2.gz DDEUZTLRRDCFLL-INIZCTEOSA-N 1 0 261.315 3.776 10 0 CHAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000035494699 172228073 /nfs/dbraw/zinc/22/80/73/172228073.db2.gz ICIOIIFNLFLSIC-AWEZNQCLSA-N 1 0 267.706 3.927 10 0 CHAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(OC)cc1 ZINC000035497774 172231097 /nfs/dbraw/zinc/23/10/97/172231097.db2.gz XVZKSKQACDSAAK-OAHLLOKOSA-N 1 0 261.390 3.682 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1OC ZINC000035498368 172232148 /nfs/dbraw/zinc/23/21/48/172232148.db2.gz CLYVYRZJJBBTFD-CYBMUJFWSA-N 1 0 267.781 3.719 10 0 CHAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(OC(C)C)cc1 ZINC000035498903 172232254 /nfs/dbraw/zinc/23/22/54/172232254.db2.gz HKQLUOLPRRAJEV-GFCCVEGCSA-N 1 0 261.287 3.687 10 0 CHAERO C[NH2+][C@H](c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000035501514 172235610 /nfs/dbraw/zinc/23/56/10/172235610.db2.gz JSXYZIDSYYSGCO-ZDUSSCGKSA-N 1 0 267.159 3.697 10 0 CHAERO CCCC[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501330 172235642 /nfs/dbraw/zinc/23/56/42/172235642.db2.gz UQBIXNUZCMVBFS-LBPRGKRZSA-N 1 0 269.772 3.562 10 0 CHAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(OC)c(F)c1 ZINC000035507456 172239798 /nfs/dbraw/zinc/23/97/98/172239798.db2.gz TWWBTKBSLXLEEX-AWEZNQCLSA-N 1 0 265.353 3.513 10 0 CHAERO CC[NH2+][C@H](c1cc(Br)ccc1OC)[C@@H]1C[C@@H]1C ZINC000035509161 172240710 /nfs/dbraw/zinc/24/07/10/172240710.db2.gz NZKKFQPIXDANSP-PXWWUCIGSA-N 1 0 298.224 3.764 10 0 CHAERO CC[NH2+][C@H](c1ccc(C)s1)[C@H]1Cc2ccccc2O1 ZINC000035510154 172241704 /nfs/dbraw/zinc/24/17/04/172241704.db2.gz UPCOVEABNRJNCJ-ZBFHGGJFSA-N 1 0 273.401 3.711 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@@H]1C[C@@H]1C ZINC000035538711 172244657 /nfs/dbraw/zinc/24/46/57/172244657.db2.gz ALNGGZVLGRFPNY-DRCTWCGVSA-N 1 0 253.773 3.655 10 0 CHAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CCC1 ZINC000035538701 172244888 /nfs/dbraw/zinc/24/48/88/172244888.db2.gz NKXQPRHJOCMBHD-AWEZNQCLSA-N 1 0 253.773 3.799 10 0 CHAERO CC[NH2+][C@@H](c1occc1C)c1ccc(OC)cc1C ZINC000035542981 172251159 /nfs/dbraw/zinc/25/11/59/172251159.db2.gz KZRCVAUMUJATJE-OAHLLOKOSA-N 1 0 259.349 3.604 10 0 CHAERO CC[NH2+][C@@H](c1cccs1)c1cc(F)ccc1F ZINC000035543426 172251532 /nfs/dbraw/zinc/25/15/32/172251532.db2.gz XPGCXGSERWXBQF-CYBMUJFWSA-N 1 0 253.317 3.725 10 0 CHAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)C1CCCC1 ZINC000035544859 172253134 /nfs/dbraw/zinc/25/31/34/172253134.db2.gz WTWRNQSDMZFCRV-CQSZACIVSA-N 1 0 257.299 3.945 10 0 CHAERO CC[NH2+][C@H](c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000035549033 172256710 /nfs/dbraw/zinc/25/67/10/172256710.db2.gz WLZBEUSDXCZLLS-OAHLLOKOSA-N 1 0 265.278 3.803 10 0 CHAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(F)c(F)c1 ZINC000035548611 172257073 /nfs/dbraw/zinc/25/70/73/172257073.db2.gz YPCDHIAHQCYMSE-HNNXBMFYSA-N 1 0 265.303 3.874 10 0 CHAERO CC[NH2+][C@H](c1ccoc1C)c1ccc2c(c1)CCC2 ZINC000035551233 172258483 /nfs/dbraw/zinc/25/84/83/172258483.db2.gz INCNWZVXIUPHGU-KRWDZBQOSA-N 1 0 255.361 3.776 10 0 CHAERO CC[NH2+][C@H](CC(F)(F)F)c1cc(C)sc1C ZINC000035552668 172259757 /nfs/dbraw/zinc/25/97/57/172259757.db2.gz BRDGHXAKNHEHNM-SNVBAGLBSA-N 1 0 251.317 3.968 10 0 CHAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1cc(F)ccc1OC ZINC000035554470 172260823 /nfs/dbraw/zinc/26/08/23/172260823.db2.gz VYUHSCQZRNWZEC-IAQYHMDHSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)[C@H](C)CC ZINC000035557782 172263903 /nfs/dbraw/zinc/26/39/03/172263903.db2.gz HZZUXRRZUMPHRY-BMIGLBTASA-N 1 0 283.799 3.808 10 0 CHAERO CC(C)C[C@H]1CN(Cc2ccccc2)[C@@H](CC(C)C)C[NH2+]1 ZINC000035565305 172264724 /nfs/dbraw/zinc/26/47/24/172264724.db2.gz LEAGHBKQXMGUNR-OALUTQOASA-N 1 0 288.479 3.921 10 0 CHAERO CCC[NH2+][C@@H](c1ccoc1C)c1ccc(OC)cc1 ZINC000035576280 172272501 /nfs/dbraw/zinc/27/25/01/172272501.db2.gz WOGNBXJHVDDNEU-MRXNPFEDSA-N 1 0 259.349 3.686 10 0 CHAERO CCC[NH2+][C@H](c1cc(OC)ccc1OC)[C@@H](C)CC ZINC000035577871 172274331 /nfs/dbraw/zinc/27/43/31/172274331.db2.gz KZFGXILNOYCXHJ-LRDDRELGSA-N 1 0 265.397 3.791 10 0 CHAERO CCC[NH2+][C@H](CC(C)C)c1cc(F)ccc1OC ZINC000035583923 172282769 /nfs/dbraw/zinc/28/27/69/172282769.db2.gz GSJPXXPTQZPTGT-CQSZACIVSA-N 1 0 253.361 3.921 10 0 CHAERO CC[NH2+]Cc1c(OC[C@H]2CCCO2)ccc2ccccc21 ZINC000035630671 172312204 /nfs/dbraw/zinc/31/22/04/172312204.db2.gz JYOOWKGMCGQSBM-OAHLLOKOSA-N 1 0 285.387 3.507 10 0 CHAERO CC[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000035652855 172329931 /nfs/dbraw/zinc/32/99/31/172329931.db2.gz YZCFKOLLYKBPAT-INIZCTEOSA-N 1 0 253.345 3.787 10 0 CHAERO CCC[NH2+][C@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654246 172330316 /nfs/dbraw/zinc/33/03/16/172330316.db2.gz QEUDNUKIWHIIGJ-JTQLQIEISA-N 1 0 260.164 3.817 10 0 CHAERO Clc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC1)CCO2 ZINC000035654185 172330438 /nfs/dbraw/zinc/33/04/38/172330438.db2.gz LCXPWNOUWDRTNU-LLVKDONJSA-N 1 0 258.148 3.569 10 0 CHAERO Cc1cc(Br)c2c(c1)[C@@H]([NH2+]C(C)C)CCO2 ZINC000035653804 172330496 /nfs/dbraw/zinc/33/04/96/172330496.db2.gz NWXDGXKCBMRMBL-LBPRGKRZSA-N 1 0 284.197 3.579 10 0 CHAERO C[NH2+]Cc1c(Cl)cccc1N(C)Cc1cccs1 ZINC000035718057 172372169 /nfs/dbraw/zinc/37/21/69/172372169.db2.gz YPUINAAYUPSCSI-UHFFFAOYSA-N 1 0 280.824 3.757 10 0 CHAERO CC[C@@H](C)C[C@](CC)(C[NH3+])N(C)Cc1ccsc1 ZINC000035719086 172372787 /nfs/dbraw/zinc/37/27/87/172372787.db2.gz YOYREZVYFDPOHB-UKRRQHHQSA-N 1 0 268.470 3.724 10 0 CHAERO [NH3+]Cc1cccnc1Oc1cc(Cl)ccc1Cl ZINC000035719796 172374094 /nfs/dbraw/zinc/37/40/94/172374094.db2.gz YOSLHJLEBZLGEB-UHFFFAOYSA-N 1 0 269.131 3.639 10 0 CHAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1F ZINC000035722040 172377525 /nfs/dbraw/zinc/37/75/25/172377525.db2.gz FKMIGXWTQFRLQC-CABZTGNLSA-N 1 0 257.349 3.574 10 0 CHAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccccc2F)C1 ZINC000035723152 172378799 /nfs/dbraw/zinc/37/87/99/172378799.db2.gz XSUCWEHYJHVWPF-UHIISALHSA-N 1 0 253.386 3.681 10 0 CHAERO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000035738585 172391503 /nfs/dbraw/zinc/39/15/03/172391503.db2.gz UHKDNLNRRTVVGX-ZIAGYGMSSA-N 1 0 281.359 3.877 10 0 CHAERO CCC[NH2+][C@H]1C[C@H](C)Sc2cc(F)c(F)cc21 ZINC000035762636 172402053 /nfs/dbraw/zinc/40/20/53/172402053.db2.gz CVWSIJLHBHVQFE-UFBFGSQYSA-N 1 0 257.349 3.890 10 0 CHAERO CC(C)[C@@H]([NH3+])c1nc(-c2cc(F)ccc2F)cs1 ZINC000036174404 172494325 /nfs/dbraw/zinc/49/43/25/172494325.db2.gz MEFNPMVSXDKQEF-GFCCVEGCSA-N 1 0 268.332 3.744 10 0 CHAERO COc1ccccc1C[C@@H]([NH3+])c1ccc(C)cc1C ZINC000036723659 172660614 /nfs/dbraw/zinc/66/06/14/172660614.db2.gz NUHPPMBWSIDNCJ-MRXNPFEDSA-N 1 0 255.361 3.555 10 0 CHAERO Clc1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]C3)n2)c(Cl)c1 ZINC000036876403 172771893 /nfs/dbraw/zinc/77/18/93/172771893.db2.gz JWANPOHMLBHUOS-SECBINFHSA-N 1 0 296.201 3.851 10 0 CHAERO CCC[C@@H](C)[C@H]([NH3+])c1cc(OC)c(OC)cc1Cl ZINC000036926199 172809265 /nfs/dbraw/zinc/80/92/65/172809265.db2.gz JIWWOEULNNOSKQ-OTYXRUKQSA-N 1 0 271.788 3.793 10 0 CHAERO CC[C@@H](C)CN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000037172648 173006942 /nfs/dbraw/zinc/00/69/42/173006942.db2.gz ALSUTLJUNVAUTH-YGRLFVJLSA-N 1 0 289.250 3.971 10 0 CHAERO CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H](C)[NH2+]C ZINC000037173497 173007600 /nfs/dbraw/zinc/00/76/00/173007600.db2.gz PWOFUIIDIWXHTB-NWDGAFQWSA-N 1 0 252.377 3.588 10 0 CHAERO CC[C@@H]1CCCC[N@@H+]1[C@@H](CN)c1ccc(C)c(C)c1 ZINC000037180040 173013213 /nfs/dbraw/zinc/01/32/13/173013213.db2.gz VBBBHXLRNBNTOG-SJORKVTESA-N 1 0 260.425 3.568 10 0 CHAERO CC(C)(C)c1cccc(O[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000037179511 173013229 /nfs/dbraw/zinc/01/32/29/173013229.db2.gz QEEJDKJCJPXYEC-GFCCVEGCSA-N 1 0 275.314 3.643 10 0 CHAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccc(C)cc2)C1 ZINC000037210396 173033056 /nfs/dbraw/zinc/03/30/56/173033056.db2.gz ABVWTMGXSASZGX-CVEARBPZSA-N 1 0 260.425 3.917 10 0 CHAERO Cc1csc2nc(C)c(C[NH2+][C@H](C)CCC(C)C)n12 ZINC000037218525 173036747 /nfs/dbraw/zinc/03/67/47/173036747.db2.gz VPLNMUBDAQMPJA-LLVKDONJSA-N 1 0 279.453 3.927 10 0 CHAERO CCCN(CC)c1ccc(F)cc1C[NH2+]C(C)C ZINC000037236632 173054296 /nfs/dbraw/zinc/05/42/96/173054296.db2.gz PYLYMGIEOSRSFI-UHFFFAOYSA-N 1 0 252.377 3.560 10 0 CHAERO C=COCCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000037239387 173055914 /nfs/dbraw/zinc/05/59/14/173055914.db2.gz VVLBHUPIVBBXOX-ZDUSSCGKSA-N 1 0 273.298 3.820 10 0 CHAERO COc1cc([C@@H](C)[NH2+]CC2CCCCC2)ccc1O ZINC000037259479 173070127 /nfs/dbraw/zinc/07/01/27/173070127.db2.gz RNXNEXVYIJGNRB-GFCCVEGCSA-N 1 0 263.381 3.632 10 0 CHAERO Cc1ncsc1[C@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000037300323 173106451 /nfs/dbraw/zinc/10/64/51/173106451.db2.gz XTSWWWCKMGXVON-GFSREQAASA-N 1 0 276.449 3.927 10 0 CHAERO CCc1ccc([C@@H]([NH3+])c2cccc(OC(F)F)c2)s1 ZINC000037308834 173111686 /nfs/dbraw/zinc/11/16/86/173111686.db2.gz HNDMYIIHRZOGMG-ZDUSSCGKSA-N 1 0 283.343 3.960 10 0 CHAERO CC[N@H+](CC(C)C)[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037336396 173137846 /nfs/dbraw/zinc/13/78/46/173137846.db2.gz UKCOHARWPKPMGA-HNNXBMFYSA-N 1 0 261.409 3.853 10 0 CHAERO CCCc1ccc(C(=O)C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000037339085 173140766 /nfs/dbraw/zinc/14/07/66/173140766.db2.gz POYDJILYABERIQ-AWEZNQCLSA-N 1 0 261.409 3.798 10 0 CHAERO COc1ccc([C@H]([NH3+])Cc2ccc(Cl)cc2)c(C)c1 ZINC000037359828 173149388 /nfs/dbraw/zinc/14/93/88/173149388.db2.gz NLGCLHLOTGBGEW-MRXNPFEDSA-N 1 0 275.779 3.900 10 0 CHAERO CC[C@@H](C)[N@H+](CC)[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037415114 173191880 /nfs/dbraw/zinc/19/18/80/173191880.db2.gz WHAFNUJHUVLQOX-MNOVXSKESA-N 1 0 269.335 3.656 10 0 CHAERO CCCC[C@@H]([NH3+])c1nc2cc(C)ccc2n1CCC ZINC000037438270 173208810 /nfs/dbraw/zinc/20/88/10/173208810.db2.gz KVQLDKQKARHYJV-CYBMUJFWSA-N 1 0 259.397 3.945 10 0 CHAERO CC[C@H](C)[C@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439741 173209255 /nfs/dbraw/zinc/20/92/55/173209255.db2.gz NZAYMQPRHSHBNT-HZMBPMFUSA-N 1 0 263.360 3.802 10 0 CHAERO CC[C@H](C)[C@@H]([NH3+])c1nc2cc(C)ccc2n1C(C)C ZINC000037438575 173209726 /nfs/dbraw/zinc/20/97/26/173209726.db2.gz WZJJLDDGLAPIGJ-SWLSCSKDSA-N 1 0 259.397 3.972 10 0 CHAERO [NH3+]C1(Cc2cccc(Br)c2)CCCCC1 ZINC000037463454 173225296 /nfs/dbraw/zinc/22/52/96/173225296.db2.gz AMHVQVYMGNOSDQ-UHFFFAOYSA-N 1 0 268.198 3.653 10 0 CHAERO Cc1ccc([C@@]2([NH3+])CCCCc3ccccc32)cc1 ZINC000037529401 173253068 /nfs/dbraw/zinc/25/30/68/173253068.db2.gz YFFBIBYFGRIUKV-SFHVURJKSA-N 1 0 251.373 3.924 10 0 CHAERO [NH3+][C@@]1(CCc2ccccc2)CCc2ccccc2C1 ZINC000037531780 173253198 /nfs/dbraw/zinc/25/31/98/173253198.db2.gz AZDGTZBMFCNRLG-SFHVURJKSA-N 1 0 251.373 3.506 10 0 CHAERO CCOc1cccc([C@@H]([NH2+]C)c2ccc(C)cc2)c1 ZINC000037533379 173253739 /nfs/dbraw/zinc/25/37/39/173253739.db2.gz CLCUROHVZNIBPF-KRWDZBQOSA-N 1 0 255.361 3.703 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1)Cc1ccccc1Cl ZINC000037534302 173254634 /nfs/dbraw/zinc/25/46/34/173254634.db2.gz KTXHBBCZGHEPCS-OAHLLOKOSA-N 1 0 259.780 3.713 10 0 CHAERO C[NH2+][C@H](Cc1ccccc1F)c1ccc(C)c(F)c1 ZINC000037535776 173255118 /nfs/dbraw/zinc/25/51/18/173255118.db2.gz PHNXEDURQZQNGC-MRXNPFEDSA-N 1 0 261.315 3.776 10 0 CHAERO CC(C)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2s1 ZINC000037600238 173553608 /nfs/dbraw/zinc/55/36/08/173553608.db2.gz RQVPCSDRTXDRKR-UHFFFAOYSA-N 1 0 274.311 3.813 10 0 CHAERO CC[C@H]([NH3+])Cc1cc(C)c(OC/C=C/Cl)c(C)c1 ZINC000037723396 173642124 /nfs/dbraw/zinc/64/21/24/173642124.db2.gz TUOHMIBKGDDIAJ-GJBLVYBDSA-N 1 0 267.800 3.715 10 0 CHAERO CCC[NH2+][C@@H](CCc1cccc(F)c1F)C(C)C ZINC000037949147 173889218 /nfs/dbraw/zinc/88/92/18/173889218.db2.gz GGKZGZZGFBLRRU-AWEZNQCLSA-N 1 0 255.352 3.922 10 0 CHAERO [NH3+][C@@H](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000037992540 173952627 /nfs/dbraw/zinc/95/26/27/173952627.db2.gz YCBMCWSDAHCUST-INIZCTEOSA-N 1 0 259.780 3.843 10 0 CHAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c(C)n1 ZINC000038029111 174019218 /nfs/dbraw/zinc/01/92/18/174019218.db2.gz WSDJASGNWUBRFU-HOTGVXAUSA-N 1 0 289.467 3.532 10 0 CHAERO CC(C)[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccccc1 ZINC000038029123 174019830 /nfs/dbraw/zinc/01/98/30/174019830.db2.gz PIRMLLPUGFLCJA-FUHWJXTLSA-N 1 0 274.452 3.848 10 0 CHAERO c1sc(C[NH2+][C@H]2CN3CCC2CC3)cc1-c1ccccc1 ZINC000038030715 174022279 /nfs/dbraw/zinc/02/22/79/174022279.db2.gz DLKGZRCDXVBMHP-SFHVURJKSA-N 1 0 298.455 3.599 10 0 CHAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000038030839 174022799 /nfs/dbraw/zinc/02/27/99/174022799.db2.gz MAFFRMVUCHLLLJ-JKSUJKDBSA-N 1 0 287.428 3.808 10 0 CHAERO CCn1c2ccc(C)cc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036785 174035812 /nfs/dbraw/zinc/03/58/12/174035812.db2.gz MDBGDZLUPZGBSP-INIZCTEOSA-N 1 0 271.408 3.945 10 0 CHAERO Cc1nccc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000038037272 174037730 /nfs/dbraw/zinc/03/77/30/174037730.db2.gz CSPLXNGWGJVLMH-CYBMUJFWSA-N 1 0 269.392 3.759 10 0 CHAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1-n1cc(Cl)cn1 ZINC000038053646 174065195 /nfs/dbraw/zinc/06/51/95/174065195.db2.gz MPUBCXNOBOUIKW-JTQLQIEISA-N 1 0 281.762 3.725 10 0 CHAERO CC[C@H]([NH3+])c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070085 174081163 /nfs/dbraw/zinc/08/11/63/174081163.db2.gz MDZYCLYMEGSDIF-KRWDZBQOSA-N 1 0 254.377 3.829 10 0 CHAERO [NH3+]Cc1ccc(F)c(-c2ccc3c(c2)CCCC3)c1 ZINC000038072550 174082516 /nfs/dbraw/zinc/08/25/16/174082516.db2.gz XPOSZVLELSUIPD-UHFFFAOYSA-N 1 0 255.336 3.830 10 0 CHAERO Fc1cccc(-c2ccc(C[NH2+]C3CC3)c(F)c2)c1 ZINC000038071633 174082601 /nfs/dbraw/zinc/08/26/01/174082601.db2.gz QQLWYJIABLMJKB-UHFFFAOYSA-N 1 0 259.299 3.884 10 0 CHAERO C[NH2+][C@H](C)c1cccc(-c2ccc(OC)cc2C)c1 ZINC000038072729 174083408 /nfs/dbraw/zinc/08/34/08/174083408.db2.gz MDCFXXXNAVTWBH-CYBMUJFWSA-N 1 0 255.361 3.951 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(OC)cc2F)cc1 ZINC000038073750 174083994 /nfs/dbraw/zinc/08/39/94/174083994.db2.gz NGBIXRRCILGRTN-NSHDSACASA-N 1 0 259.324 3.782 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(OC)c(C)c2)cc1 ZINC000038073611 174084019 /nfs/dbraw/zinc/08/40/19/174084019.db2.gz HGDYHCDLKWPWKR-ZDUSSCGKSA-N 1 0 255.361 3.951 10 0 CHAERO Cc1cc(C)cc(C[C@](C)([NH3+])c2ccc(F)cc2)c1 ZINC000038077118 174087722 /nfs/dbraw/zinc/08/77/22/174087722.db2.gz VFGUPIWLKDEHQG-KRWDZBQOSA-N 1 0 257.352 3.859 10 0 CHAERO C[C@@H](C[NH2+]Cc1cc(-c2cccs2)cs1)N(C)C ZINC000038087417 174099465 /nfs/dbraw/zinc/09/94/65/174099465.db2.gz NIKFYBLBHGZVNS-NSHDSACASA-N 1 0 280.462 3.516 10 0 CHAERO Cc1csc(C[NH2+][C@H](c2cccs2)C(C)C)n1 ZINC000038091043 174104903 /nfs/dbraw/zinc/10/49/03/174104903.db2.gz QTVOCNAACSSFGM-ZDUSSCGKSA-N 1 0 266.435 4.000 10 0 CHAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1Br ZINC000038095471 174109620 /nfs/dbraw/zinc/10/96/20/174109620.db2.gz AZHCDGGQGUUMTA-NEPJUHHUSA-N 1 0 298.224 3.669 10 0 CHAERO CCc1ccc([C@@H](CC)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038096079 174110090 /nfs/dbraw/zinc/11/00/90/174110090.db2.gz VTDGYVBYMKXMRG-IAGOWNOFSA-N 1 0 261.409 3.859 10 0 CHAERO CCCOc1ccc([C@@H](CN)[NH+](CCC)CCC)cc1 ZINC000039789135 174173396 /nfs/dbraw/zinc/17/33/96/174173396.db2.gz ODKCYEIUJTYGIX-QGZVFWFLSA-N 1 0 278.440 3.597 10 0 CHAERO C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000039789097 174173753 /nfs/dbraw/zinc/17/37/53/174173753.db2.gz XWWNILIGXDYPIM-UHIISALHSA-N 1 0 284.806 3.742 10 0 CHAERO CC(C)[C@@H]([NH3+])c1nc2ccccc2n1Cc1ccccc1 ZINC000040163888 174196913 /nfs/dbraw/zinc/19/69/13/174196913.db2.gz XTPICPNVOPNADJ-QGZVFWFLSA-N 1 0 279.387 3.740 10 0 CHAERO C[C@H](O[C@@H]1CCC[C@@H](C)C1)[C@H]([NH3+])c1ccc(F)cc1 ZINC000040177318 174202163 /nfs/dbraw/zinc/20/21/63/174202163.db2.gz FVLGVLKCSOIUGD-KOZAUXTDSA-N 1 0 265.372 3.809 10 0 CHAERO CC[NH+](CC)CCCn1cnc2cc(C(F)(F)F)ccc21 ZINC000040403503 174253753 /nfs/dbraw/zinc/25/37/53/174253753.db2.gz LGMKCIKUKDSEFQ-UHFFFAOYSA-N 1 0 299.340 3.787 10 0 CHAERO CC[C@H](C)n1c2cc(Cl)ccc2nc1[C@H](C)[NH3+] ZINC000040408263 174254295 /nfs/dbraw/zinc/25/42/95/174254295.db2.gz MWADDADBYROWOS-IUCAKERBSA-N 1 0 251.761 3.680 10 0 CHAERO CCOc1ccc(-c2nc(C[NH2+]C(C)C)cs2)cc1 ZINC000040414291 174255120 /nfs/dbraw/zinc/25/51/20/174255120.db2.gz FSFDSNJTVVELMR-UHFFFAOYSA-N 1 0 276.405 3.707 10 0 CHAERO C[C@H]([NH3+])c1ccc(Oc2cccc(N(C)C)c2)cc1 ZINC000040714682 174382527 /nfs/dbraw/zinc/38/25/27/174382527.db2.gz HOAXSZIWHYSQCV-LBPRGKRZSA-N 1 0 256.349 3.565 10 0 CHAERO CCC[NH2+]Cc1cc(Cl)cc(OC)c1OCCC ZINC000040722187 174385342 /nfs/dbraw/zinc/38/53/42/174385342.db2.gz RWGDIVKCIZELOH-UHFFFAOYSA-N 1 0 271.788 3.637 10 0 CHAERO CC[NH+](CC)CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000041145034 174495897 /nfs/dbraw/zinc/49/58/97/174495897.db2.gz BXEGXUXKMWUWGT-CYBMUJFWSA-N 1 0 276.207 3.759 10 0 CHAERO C[NH2+]C[C@H](c1ccc(Br)cc1)C1CCCC1 ZINC000041438933 174553166 /nfs/dbraw/zinc/55/31/66/174553166.db2.gz GEDPUDFZQGVSDD-AWEZNQCLSA-N 1 0 282.225 3.942 10 0 CHAERO COc1cccc([C@@H]([NH3+])c2cccc(Cl)c2C)c1 ZINC000041654583 174593495 /nfs/dbraw/zinc/59/34/95/174593495.db2.gz QIKMKCGJFXWUGT-OAHLLOKOSA-N 1 0 261.752 3.705 10 0 CHAERO Cc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C)cc(C)c1O ZINC000042857921 174892341 /nfs/dbraw/zinc/89/23/41/174892341.db2.gz XKISVPSNQWGENV-BLLLJJGKSA-N 1 0 261.409 3.925 10 0 CHAERO CC[C@H]([NH3+])[C@H](Sc1ccccn1)c1ccc(F)cc1 ZINC000042943192 174918808 /nfs/dbraw/zinc/91/88/08/174918808.db2.gz BBCIIQYCYVCEPV-DZGCQCFKSA-N 1 0 276.380 3.791 10 0 CHAERO Cc1ccccc1S[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042943854 174919122 /nfs/dbraw/zinc/91/91/22/174919122.db2.gz RSMTTYDSMWBZGJ-HNNXBMFYSA-N 1 0 261.365 3.926 10 0 CHAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC(F)(F)F ZINC000042945522 174920620 /nfs/dbraw/zinc/92/06/20/174920620.db2.gz APPLCOZQJLGAQL-NEPJUHHUSA-N 1 0 294.748 3.613 10 0 CHAERO Cc1cccc([C@H](OCc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042967901 174931549 /nfs/dbraw/zinc/93/15/49/174931549.db2.gz GNALXIUIKXYIAI-RHSMWYFYSA-N 1 0 255.361 3.600 10 0 CHAERO CC[C@@H]([NH3+])[C@@H](OCCC(C)C)c1cccc(F)c1 ZINC000042973716 174937166 /nfs/dbraw/zinc/93/71/66/174937166.db2.gz VPZLFIYBPHJNAG-CABCVRRESA-N 1 0 253.361 3.667 10 0 CHAERO Cc1csc(S[C@@H](c2cccc(F)c2)[C@H](C)[NH3+])n1 ZINC000042974533 174938014 /nfs/dbraw/zinc/93/80/14/174938014.db2.gz NPCHPLASJFCYGI-JOYOIKCWSA-N 1 0 282.409 3.771 10 0 CHAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)Cc1cccs1 ZINC000043014181 174941243 /nfs/dbraw/zinc/94/12/43/174941243.db2.gz FXBABFCSKDTCDS-XHDPSFHLSA-N 1 0 294.851 3.922 10 0 CHAERO CCCCOCCO[C@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043018346 174944064 /nfs/dbraw/zinc/94/40/64/174944064.db2.gz ICYDCPMCWHIWBW-WFASDCNBSA-N 1 0 285.815 3.562 10 0 CHAERO C[C@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1ccccc1F ZINC000043047517 174957499 /nfs/dbraw/zinc/95/74/99/174957499.db2.gz WECAZBJURFDAAE-SPFUSLPCSA-N 1 0 265.372 3.809 10 0 CHAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)[C@@H]1CCSC1 ZINC000043051332 174959483 /nfs/dbraw/zinc/95/94/83/174959483.db2.gz VALUFJGPHBVXIK-BYCMXARLSA-N 1 0 298.883 3.556 10 0 CHAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(F)cc1)c1cccs1 ZINC000043108493 174973579 /nfs/dbraw/zinc/97/35/79/174973579.db2.gz HJNXCLUHYDXVSC-GXTWGEPZSA-N 1 0 265.353 3.745 10 0 CHAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1cccs1 ZINC000043108489 174973733 /nfs/dbraw/zinc/97/37/33/174973733.db2.gz HJNXCLUHYDXVSC-OCCSQVGLSA-N 1 0 265.353 3.745 10 0 CHAERO CCCC[C@H](CC)COc1ccc(C[NH3+])cc1OC ZINC000043454353 175049992 /nfs/dbraw/zinc/04/99/92/175049992.db2.gz CAOGTCXMXFVHHO-ZDUSSCGKSA-N 1 0 265.397 3.749 10 0 CHAERO CC[NH2+][C@H](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000043512159 175060730 /nfs/dbraw/zinc/06/07/30/175060730.db2.gz PNRPBWDVGDRXGC-WDEREUQCSA-N 1 0 259.315 3.882 10 0 CHAERO COc1ccc(Cl)cc1[C@@H]([NH3+])c1cc(C)oc1C ZINC000043611405 175079097 /nfs/dbraw/zinc/07/90/97/175079097.db2.gz ZVVBKFZHODSPFH-AWEZNQCLSA-N 1 0 265.740 3.607 10 0 CHAERO [NH3+][C@@H]1CCCC[C@H]1Cc1sccc1Br ZINC000043676316 175088281 /nfs/dbraw/zinc/08/82/81/175088281.db2.gz HFGGPQULCBEQLY-WCBMZHEXSA-N 1 0 274.227 3.571 10 0 CHAERO CC[N@@H+](Cc1cc(Br)cs1)CC(C)C ZINC000043686994 175094412 /nfs/dbraw/zinc/09/44/12/175094412.db2.gz ZNHSFJOGGFEHKG-UHFFFAOYSA-N 1 0 276.243 3.989 10 0 CHAERO CC[C@H](Cc1cc(Br)cs1)[C@@H](C)[NH2+]C ZINC000043688076 175095397 /nfs/dbraw/zinc/09/53/97/175095397.db2.gz FNVAXVIWGNRADH-RKDXNWHRSA-N 1 0 276.243 3.687 10 0 CHAERO CCCc1ccc([C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113901 175141092 /nfs/dbraw/zinc/14/10/92/175141092.db2.gz UZRXQSCXKBBWCB-RVKKMQEKSA-N 1 0 275.436 3.650 10 0 CHAERO CCc1ccc([C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000044120658 175142986 /nfs/dbraw/zinc/14/29/86/175142986.db2.gz KZGALZMSXJTWJP-QGZVFWFLSA-N 1 0 261.409 3.547 10 0 CHAERO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(OCC(C)C)ccc21 ZINC000044421762 175174330 /nfs/dbraw/zinc/17/43/30/175174330.db2.gz KXHVBGQVBPQJJZ-OAHLLOKOSA-N 1 0 277.408 3.933 10 0 CHAERO Cc1csc([C@H]([NH2+]Cc2ccccc2)C2CC2)n1 ZINC000045206231 175327890 /nfs/dbraw/zinc/32/78/90/175327890.db2.gz JNVZZIPIVCDXIA-CQSZACIVSA-N 1 0 258.390 3.692 10 0 CHAERO CC[NH2+]C[C@](C)(CC)Oc1ccc(C(F)(F)F)cc1 ZINC000051958647 175528363 /nfs/dbraw/zinc/52/83/63/175528363.db2.gz UEMALROYRNNTOS-ZDUSSCGKSA-N 1 0 275.314 3.862 10 0 CHAERO CC(C)(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000068591012 175811716 /nfs/dbraw/zinc/81/17/16/175811716.db2.gz KIMAVXXQFVORIO-KGLIPLIRSA-N 1 0 298.471 3.706 10 0 CHAERO [NH3+][C@@H]1CCC[C@H](c2nc(-c3cccc(Cl)c3)c[nH]2)C1 ZINC000070578973 175994350 /nfs/dbraw/zinc/99/43/50/175994350.db2.gz YPGLJRGOGZCNGF-WCQYABFASA-N 1 0 275.783 3.715 10 0 CHAERO Brc1csc(CCCC[NH2+]C2CC2)c1 ZINC000070743562 176004675 /nfs/dbraw/zinc/00/46/75/176004675.db2.gz PCHYCEZVMJGLLR-UHFFFAOYSA-N 1 0 274.227 3.585 10 0 CHAERO CC[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000070943270 176015631 /nfs/dbraw/zinc/01/56/31/176015631.db2.gz AGELCRLUGBJSEM-SNVBAGLBSA-N 1 0 292.732 3.547 10 0 CHAERO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000071206703 176080312 /nfs/dbraw/zinc/08/03/12/176080312.db2.gz YGZIXDMBZFQZPN-APHBMKBZSA-N 1 0 259.393 3.851 10 0 CHAERO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]2C)C2CC2)cc1 ZINC000071206590 176080426 /nfs/dbraw/zinc/08/04/26/176080426.db2.gz UNKORGXEOIDJRH-OAUYIBNBSA-N 1 0 259.393 3.925 10 0 CHAERO CC(C)c1ccc(CNC2=[NH+]C[C@@H](C3CC3)S2)cc1 ZINC000071307829 176116421 /nfs/dbraw/zinc/11/64/21/176116421.db2.gz WEQITUQGJHNYAN-HNNXBMFYSA-N 1 0 274.433 3.781 10 0 CHAERO CCCN([C@@H](C)c1ccc(F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071314606 176120947 /nfs/dbraw/zinc/12/09/47/176120947.db2.gz GURHKAUHMMLSFL-WCQYABFASA-N 1 0 284.806 3.614 10 0 CHAERO CCCN([C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314688 176121316 /nfs/dbraw/zinc/12/13/16/176121316.db2.gz SGUIUQVQYZSHSL-HRCADAONSA-N 1 0 266.473 3.665 10 0 CHAERO C[N@H+](CCNc1nccc2sccc21)C1CCCC1 ZINC000071377603 176142639 /nfs/dbraw/zinc/14/26/39/176142639.db2.gz AUVWGBMVZZDVTL-UHFFFAOYSA-N 1 0 275.421 3.583 10 0 CHAERO C[NH2+]Cc1cc(C)ccc1OCc1ccc(C)cc1 ZINC000071403721 176155471 /nfs/dbraw/zinc/15/54/71/176155471.db2.gz DTWSMNOCYZPEPY-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO COc1ccc(/C(=C/CCC[NH3+])C(C)C)cc1F ZINC000071573360 176199544 /nfs/dbraw/zinc/19/95/44/176199544.db2.gz DWAFEVFZDYBGLB-AWNIVKPZSA-N 1 0 251.345 3.613 10 0 CHAERO COc1ccc([C@H](CCC[NH3+])C(C)C)cc1Cl ZINC000071577191 176205607 /nfs/dbraw/zinc/20/56/07/176205607.db2.gz FNRHYCSGIPQLOR-GFCCVEGCSA-N 1 0 255.789 3.827 10 0 CHAERO COc1c(C)cc(Cl)cc1[C@@H](C)CCCC[NH3+] ZINC000071577233 176205666 /nfs/dbraw/zinc/20/56/66/176205666.db2.gz LYVAMKIIXOXFHT-JTQLQIEISA-N 1 0 255.789 3.890 10 0 CHAERO CC(C)Oc1ccc(CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000071588138 176215957 /nfs/dbraw/zinc/21/59/57/176215957.db2.gz LHPAMCCNUCDHHE-INIZCTEOSA-N 1 0 261.409 3.796 10 0 CHAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2c1ccccc1F ZINC000071633472 176237821 /nfs/dbraw/zinc/23/78/21/176237821.db2.gz SFKACDOIKTXNDI-KRWDZBQOSA-N 1 0 283.346 3.559 10 0 CHAERO [NH3+]C[C@H](OCc1ccc(Cl)cc1)c1ccccc1 ZINC000072114466 176318594 /nfs/dbraw/zinc/31/85/94/176318594.db2.gz KFVPLCBTGAXYHI-HNNXBMFYSA-N 1 0 261.752 3.557 10 0 CHAERO [NH3+]CCCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000076320699 176985568 /nfs/dbraw/zinc/98/55/68/176985568.db2.gz CEQADJTTXALWDX-UHFFFAOYSA-N 1 0 259.324 3.899 10 0 CHAERO CC1CCC(C[NH3+])(c2cccc(Br)c2)CC1 ZINC000076480186 177025884 /nfs/dbraw/zinc/02/58/84/177025884.db2.gz QTZWXSDVDAMULK-UHFFFAOYSA-N 1 0 282.225 3.856 10 0 CHAERO CCCCc1ccc([C@H](C[NH3+])c2ccncc2)cc1 ZINC000076658314 177046793 /nfs/dbraw/zinc/04/67/93/177046793.db2.gz ONIJYDWAXIZNSJ-KRWDZBQOSA-N 1 0 254.377 3.515 10 0 CHAERO Cc1cccc([C@H](CC[NH3+])COc2ccccc2)c1 ZINC000076660564 177048588 /nfs/dbraw/zinc/04/85/88/177048588.db2.gz YFFPDGBMHVDKDA-MRXNPFEDSA-N 1 0 255.361 3.506 10 0 CHAERO CC(C)(C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000076661545 177049068 /nfs/dbraw/zinc/04/90/68/177049068.db2.gz ALZRKNWWZOYWKX-LLVKDONJSA-N 1 0 256.187 3.538 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccccc1)c1cccc(F)c1 ZINC000076664663 177050647 /nfs/dbraw/zinc/05/06/47/177050647.db2.gz SYHXRINSPOQRPZ-OAHLLOKOSA-N 1 0 257.352 3.891 10 0 CHAERO [NH3+]CC[C@@H](CCc1ccco1)c1ccc(F)cc1F ZINC000076680819 177058446 /nfs/dbraw/zinc/05/84/46/177058446.db2.gz BYFVSHLONFZCBS-LLVKDONJSA-N 1 0 265.303 3.623 10 0 CHAERO Cc1cc(C)c(N(CC[NH3+])CCC(C)C)c(Cl)c1 ZINC000076706101 177065965 /nfs/dbraw/zinc/06/59/65/177065965.db2.gz XAMDPQBKNKSDPJ-UHFFFAOYSA-N 1 0 268.832 3.768 10 0 CHAERO Brc1ccccc1CC[C@H]1CCCCC[NH2+]1 ZINC000076727435 177071335 /nfs/dbraw/zinc/07/13/35/177071335.db2.gz BBHOQVRLXLFXFZ-CYBMUJFWSA-N 1 0 282.225 3.914 10 0 CHAERO COCc1c2cccc(Cl)c2oc1C[NH2+]C(C)C ZINC000077069195 177184178 /nfs/dbraw/zinc/18/41/78/177184178.db2.gz ZQIGXOAXYOZNAF-UHFFFAOYSA-N 1 0 267.756 3.731 10 0 CHAERO C[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1COC ZINC000077071879 177188229 /nfs/dbraw/zinc/18/82/29/177188229.db2.gz VPNGPDXXHHXWCN-UHFFFAOYSA-N 1 0 274.147 3.605 10 0 CHAERO CCc1cccc(Oc2ccc(CC[NH2+]C)cc2)c1 ZINC000077610696 177286931 /nfs/dbraw/zinc/28/69/31/177286931.db2.gz CNKDJQRQBWLNIY-UHFFFAOYSA-N 1 0 255.361 3.803 10 0 CHAERO C[C@@H]([NH3+])CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000070314667 260155906 /nfs/dbraw/zinc/15/59/06/260155906.db2.gz BBRXCLCZQWHHHW-CYBMUJFWSA-N 1 0 284.359 3.545 10 0 CHAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CO)o2)cc1 ZINC000077897855 260167296 /nfs/dbraw/zinc/16/72/96/260167296.db2.gz DJVHOEZPTREVPM-ZDUSSCGKSA-N 1 0 273.376 3.746 10 0 CHAERO CC[C@@H]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)C1 ZINC000078005401 260167690 /nfs/dbraw/zinc/16/76/90/260167690.db2.gz LWLQEMWUHLCTNK-CABCVRRESA-N 1 0 271.408 3.595 10 0 CHAERO COCCC1(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000222326468 260211092 /nfs/dbraw/zinc/21/10/92/260211092.db2.gz CLLVWWMXMSRLCM-CABCVRRESA-N 1 0 267.457 3.998 10 0 CHAERO CC1CCC(C[NH2+]C[C@H](c2cccs2)N(C)C)CC1 ZINC000089575656 260237762 /nfs/dbraw/zinc/23/77/62/260237762.db2.gz OOBARJCAXKDKEY-YMAMQOFZSA-N 1 0 280.481 3.767 10 0 CHAERO CCCn1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000091009840 260264758 /nfs/dbraw/zinc/26/47/58/260264758.db2.gz VBNIZOSQRLURNJ-UHFFFAOYSA-N 1 0 294.345 3.789 10 0 CHAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000040517934 260290234 /nfs/dbraw/zinc/29/02/34/260290234.db2.gz PMYADTGSEGIOLC-BXUZGUMPSA-N 1 0 288.416 3.934 10 0 CHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000090175875 260336456 /nfs/dbraw/zinc/33/64/56/260336456.db2.gz LJXWVKPDUXSXNG-YWPYICTPSA-N 1 0 263.381 3.543 10 0 CHAERO CSCC1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449301333 260379452 /nfs/dbraw/zinc/37/94/52/260379452.db2.gz GZFQDFPDNMOICL-QCROOJIWSA-N 1 0 285.497 3.701 10 0 CHAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000085972532 260381889 /nfs/dbraw/zinc/38/18/89/260381889.db2.gz DRSNPRIRKGNGDM-GWCFXTLKSA-N 1 0 288.218 3.634 10 0 CHAERO C[C@H](C(=O)Nc1ccc(Cl)cc1)[C@H]([NH3+])c1ccccc1 ZINC000130060459 260392329 /nfs/dbraw/zinc/39/23/29/260392329.db2.gz KASDETJVKDTFKL-NHYWBVRUSA-N 1 0 288.778 3.615 10 0 CHAERO C[C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H]([NH3+])c1ccccc1 ZINC000130059393 260392651 /nfs/dbraw/zinc/39/26/51/260392651.db2.gz YCGVQNKZECLDSJ-IAQYHMDHSA-N 1 0 288.778 3.615 10 0 CHAERO C[C@H](C(=O)Nc1ccccc1Cl)[C@H]([NH3+])c1ccccc1 ZINC000130066316 260392893 /nfs/dbraw/zinc/39/28/93/260392893.db2.gz KUAIJHQNGSLNCW-NHYWBVRUSA-N 1 0 288.778 3.615 10 0 CHAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)C2)c1 ZINC000106219817 261323340 /nfs/dbraw/zinc/32/33/40/261323340.db2.gz KRVVOBVQZSZCAN-WMLDXEAASA-N 1 0 287.382 3.729 10 0 CHAERO c1ccc(C[N@H+]2CCCC[C@@H]2CNc2ccccn2)cc1 ZINC000301126443 261330445 /nfs/dbraw/zinc/33/04/45/261330445.db2.gz ZCBKQFLMALAFPG-QGZVFWFLSA-N 1 0 281.403 3.548 10 0 CHAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000177741479 261368056 /nfs/dbraw/zinc/36/80/56/261368056.db2.gz GHCVPHQLOWQGAQ-UWVGGRQHSA-N 1 0 261.818 3.867 10 0 CHAERO CC[NH2+]Cc1cccc(NC(=O)C[C@@H](C)C(C)(C)C)c1 ZINC000108943444 261390054 /nfs/dbraw/zinc/39/00/54/261390054.db2.gz LKAJOLPAWCTPLN-CYBMUJFWSA-N 1 0 276.424 3.807 10 0 CHAERO C[C@H](CCCO)[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180750826 261873305 /nfs/dbraw/zinc/87/33/05/261873305.db2.gz SLNHFOPYUFACQE-OAHLLOKOSA-N 1 0 295.426 3.625 10 0 CHAERO CN(C)C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000120437966 262195418 /nfs/dbraw/zinc/19/54/18/262195418.db2.gz OQQRPUXMKTXEFR-UXHICEINSA-N 1 0 294.442 3.957 10 0 CHAERO Cc1cc(C)cc(C[NH2+][C@@H](C)COCc2ccccc2)c1 ZINC000390585391 262223556 /nfs/dbraw/zinc/22/35/56/262223556.db2.gz LOIGQXATDFJADF-KRWDZBQOSA-N 1 0 283.415 3.998 10 0 CHAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000186937450 262331185 /nfs/dbraw/zinc/33/11/85/262331185.db2.gz MFUPIIXOQKVVOT-BDAKNGLRSA-N 1 0 289.192 3.678 10 0 CHAERO CC(C)(C)SCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000311733373 262339770 /nfs/dbraw/zinc/33/97/70/262339770.db2.gz PALOGSVXZLVWGP-ZNMIVQPWSA-N 1 0 285.497 3.534 10 0 CHAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1C ZINC000390856479 262354674 /nfs/dbraw/zinc/35/46/74/262354674.db2.gz JTKNKFIRCDKYNA-MFKMUULPSA-N 1 0 285.382 3.606 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C)CC2)C12CCOCC2 ZINC000188023279 263620837 /nfs/dbraw/zinc/62/08/37/263620837.db2.gz GIMVVBJRTQRRMP-VVLHAWIVSA-N 1 0 295.467 3.519 10 0 CHAERO COc1cnccc1[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000189547935 264306594 /nfs/dbraw/zinc/30/65/94/264306594.db2.gz JLVJGNSSEOKXQK-MOKVOYLWSA-N 1 0 262.397 3.567 10 0 CHAERO C[C@@H]1CC[C@H]([NH2+]Cc2cncs2)c2ccccc21 ZINC000132251137 264386718 /nfs/dbraw/zinc/38/67/18/264386718.db2.gz OQLZCTFQFKKMQT-ABAIWWIYSA-N 1 0 258.390 3.871 10 0 CHAERO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000148889805 265007674 /nfs/dbraw/zinc/00/76/74/265007674.db2.gz KBHQDWRNWVCTDS-ZDUSSCGKSA-N 1 0 285.435 3.877 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccc(Cl)c1F)CC2 ZINC000093586024 265187996 /nfs/dbraw/zinc/18/79/96/265187996.db2.gz AEZIEECRMWVNBU-CJNGLKHVSA-N 1 0 297.801 3.606 10 0 CHAERO c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccco3)cc2)c1 ZINC000116289747 267136883 /nfs/dbraw/zinc/13/68/83/267136883.db2.gz CQQGRBAXFAUZQO-KRWDZBQOSA-N 1 0 293.370 3.802 10 0 CHAERO COc1ccc(CC[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116292837 267137259 /nfs/dbraw/zinc/13/72/59/267137259.db2.gz CCVJVIPOZUMERQ-INIZCTEOSA-N 1 0 271.360 3.668 10 0 CHAERO c1coc([C@@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)c2)c1 ZINC000116295212 267137398 /nfs/dbraw/zinc/13/73/98/267137398.db2.gz LSOWLQVGXOJLBX-KRWDZBQOSA-N 1 0 293.370 3.802 10 0 CHAERO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000123213980 268015457 /nfs/dbraw/zinc/01/54/57/268015457.db2.gz PIKRXFGALYVOKM-MRXNPFEDSA-N 1 0 285.343 3.542 10 0 CHAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000040501968 327907517 /nfs/dbraw/zinc/90/75/17/327907517.db2.gz KCDMUGUZPUJFOG-QGZVFWFLSA-N 1 0 274.452 3.558 10 0 CHAERO Cc1nc(C)c(CC[NH2+][C@@H](C)c2sc(C)nc2C)s1 ZINC000178024900 329191738 /nfs/dbraw/zinc/19/17/38/329191738.db2.gz FOEMVWNELJSFDL-VIFPVBQESA-N 1 0 295.477 3.727 10 0 CHAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000296623039 328291385 /nfs/dbraw/zinc/29/13/85/328291385.db2.gz ZIZPPDULMZFNJY-XFMPKHEZSA-N 1 0 267.438 3.992 10 0 CHAERO Cc1cccc(C2CC([NH2+][C@H](C)c3ccccn3)C2)c1 ZINC000036843166 326829139 /nfs/dbraw/zinc/82/91/39/326829139.db2.gz CSLJMOQPCFTSGW-ODIFPOPNSA-N 1 0 266.388 3.987 10 0 CHAERO CCCCC1CCC(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261731610 327080381 /nfs/dbraw/zinc/08/03/81/327080381.db2.gz REFFXWOKSIQRFO-UYSNPLJNSA-N 1 0 294.483 3.569 10 0 CHAERO COc1ccc2c(c1)CCC[C@H]2Nc1cccnc1C ZINC000091495620 327102524 /nfs/dbraw/zinc/10/25/24/327102524.db2.gz OSQNZKVJPPDFBG-QGZVFWFLSA-N 1 0 268.360 3.888 10 0 CHAERO CN(C)C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 ZINC000093093299 327104549 /nfs/dbraw/zinc/10/45/49/327104549.db2.gz FFBIGGFLQFMEEO-OAHLLOKOSA-N 1 0 294.851 3.794 10 0 CHAERO CC[C@@H]([NH2+]CCCc1nc2ccccc2n1C)C(C)C ZINC000090050722 327176879 /nfs/dbraw/zinc/17/68/79/327176879.db2.gz JCDQHMCGOHGWEJ-CQSZACIVSA-N 1 0 273.424 3.530 10 0 CHAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000565231785 327528474 /nfs/dbraw/zinc/52/84/74/327528474.db2.gz HUSNCJAXGTUVRM-XMTFNYHQSA-N 1 0 273.420 3.606 10 0 CHAERO FC1(F)CCC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000532627213 328793353 /nfs/dbraw/zinc/79/33/53/328793353.db2.gz DYXGMRLAAYOFMW-ZDUSSCGKSA-N 1 0 276.330 3.902 10 0 CHAERO Cc1cc(C)n(CCCNc2cc[nH+]c3ccc(C)cc23)n1 ZINC000302180899 328831600 /nfs/dbraw/zinc/83/16/00/328831600.db2.gz ZOTKRCZFLJFTLB-UHFFFAOYSA-N 1 0 294.402 3.859 10 0 CHAERO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)ccc1C ZINC000193938335 329064175 /nfs/dbraw/zinc/06/41/75/329064175.db2.gz WHLKJIPPBUVXRX-OAHLLOKOSA-N 1 0 271.360 3.934 10 0 CHAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)c1 ZINC000171529356 329077124 /nfs/dbraw/zinc/07/71/24/329077124.db2.gz ORGHWUNYYCGYQW-INIZCTEOSA-N 1 0 289.810 3.682 10 0 CHAERO Cc1ncsc1CC[N@H+]1CC=C(c2cccs2)CC1 ZINC000172545288 329137161 /nfs/dbraw/zinc/13/71/61/329137161.db2.gz MNDJBJMGBIYZQL-UHFFFAOYSA-N 1 0 290.457 3.845 10 0 CHAERO CSCCC[N@H+]1CC=C(c2cccs2)CC1 ZINC000173768187 329152132 /nfs/dbraw/zinc/15/21/32/329152132.db2.gz STWLMZCJYUWNDF-UHFFFAOYSA-N 1 0 253.436 3.590 10 0 CHAERO CCn1c(C)nnc1C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000174172578 329155076 /nfs/dbraw/zinc/15/50/76/329155076.db2.gz UGZSPNCMNSODCS-UHFFFAOYSA-N 1 0 290.455 3.543 10 0 CHAERO C[C@H]([NH2+][C@@H](c1cccnc1)c1ccc(F)c(F)c1)C1CC1 ZINC000177291685 329185697 /nfs/dbraw/zinc/18/56/97/329185697.db2.gz ZTULCAOQAMEEFK-APPDUMDISA-N 1 0 288.341 3.837 10 0 CHAERO CCOC[C@@H](C)[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178727748 329200391 /nfs/dbraw/zinc/20/03/91/329200391.db2.gz OUFYWGODUSTBNQ-ZBFHGGJFSA-N 1 0 289.419 3.838 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000178685223 329202045 /nfs/dbraw/zinc/20/20/45/329202045.db2.gz WCTVMPVGQWETLH-NTZNESFSSA-N 1 0 258.390 3.869 10 0 CHAERO Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cn2ccccc2n1 ZINC000179916247 329213467 /nfs/dbraw/zinc/21/34/67/329213467.db2.gz YZYCPTBMVSEQSP-QGZVFWFLSA-N 1 0 295.361 3.641 10 0 CHAERO CCCC[C@H](CC)C[NH+]1CCC(c2nncn2CC)CC1 ZINC000183615870 329251255 /nfs/dbraw/zinc/25/12/55/329251255.db2.gz QLMHSBMHKZXLES-HNNXBMFYSA-N 1 0 292.471 3.694 10 0 CHAERO CC/C=C/CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000184494315 329260749 /nfs/dbraw/zinc/26/07/49/329260749.db2.gz MLDXTHZZQMDQRC-OOPCZODUSA-N 1 0 250.411 3.679 10 0 CHAERO CCO[C@H]1C[C@H]([NH2+]C2CCC(CC)CC2)C12CCOCC2 ZINC000186259718 329341011 /nfs/dbraw/zinc/34/10/11/329341011.db2.gz OMGRUHQDJFNFAR-GQGLESIBSA-N 1 0 295.467 3.519 10 0 CHAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c(C)n1 ZINC000187047652 329351786 /nfs/dbraw/zinc/35/17/86/329351786.db2.gz OZJBFGRGCFFISC-OAHLLOKOSA-N 1 0 256.349 3.629 10 0 CHAERO CC(C)=CC[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000188442466 329369105 /nfs/dbraw/zinc/36/91/05/329369105.db2.gz HHAVGBBXWABFKP-QGZVFWFLSA-N 1 0 252.361 3.727 10 0 CHAERO CC(C)=CC[NH2+][C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000188460366 329369119 /nfs/dbraw/zinc/36/91/19/329369119.db2.gz WMNMWCSMNBGZIX-QGZVFWFLSA-N 1 0 270.351 3.866 10 0 CHAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000063191941 329373734 /nfs/dbraw/zinc/37/37/34/329373734.db2.gz OLUXBFPZVRAKRP-HZMBPMFUSA-N 1 0 287.234 3.695 10 0 CHAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Cl)cc1Cl ZINC000063191643 329373859 /nfs/dbraw/zinc/37/38/59/329373859.db2.gz UHYFEOSQANFZOV-YGRLFVJLSA-N 1 0 287.234 3.695 10 0 CHAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000189042535 329375176 /nfs/dbraw/zinc/37/51/76/329375176.db2.gz ZZGCFQFAPVOOLE-ZBFHGGJFSA-N 1 0 257.377 3.823 10 0 CHAERO CC1(C)C[C@H]([NH2+]Cc2ccc(F)nc2)c2ccccc2O1 ZINC000189146871 329376307 /nfs/dbraw/zinc/37/63/07/329376307.db2.gz JABJNHIVBABFGM-AWEZNQCLSA-N 1 0 286.350 3.613 10 0 CHAERO Cc1ccc([C@@H]2CCCCN2Cc2ccc(F)nc2)o1 ZINC000189363313 329380159 /nfs/dbraw/zinc/38/01/59/329380159.db2.gz XOLLSSNRBWGKHA-AWEZNQCLSA-N 1 0 274.339 3.849 10 0 CHAERO C[C@@H]([NH2+]CC[C@H](C)O)c1c(Cl)ccc(F)c1Cl ZINC000085982608 329396582 /nfs/dbraw/zinc/39/65/82/329396582.db2.gz RZXNTFKNDLATGW-JGVFFNPUSA-N 1 0 280.170 3.554 10 0 CHAERO C[C@@H]([NH2+]CCCCO)c1c(Cl)ccc(F)c1Cl ZINC000235209777 329436956 /nfs/dbraw/zinc/43/69/56/329436956.db2.gz WHPICXFBTBDAPD-MRVPVSSYSA-N 1 0 280.170 3.556 10 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VMHHDHDFSXHPTL-SGIREYDYSA-N 1 0 279.449 3.973 10 0 CHAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000248908012 329902305 /nfs/dbraw/zinc/90/23/05/329902305.db2.gz VAEFUUNJQQOSJB-FASAQXTFSA-N 1 0 285.431 3.784 10 0 CHAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCCc1ccccc1 ZINC000036852271 330301695 /nfs/dbraw/zinc/30/16/95/330301695.db2.gz FXHNCZCMHAIRGZ-KRWDZBQOSA-N 1 0 267.372 3.602 10 0 CHAERO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)c1 ZINC000044674163 330331612 /nfs/dbraw/zinc/33/16/12/330331612.db2.gz WPYSBAXBSLCGSH-XWIAVFTESA-N 1 0 267.372 3.902 10 0 CHAERO CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000044689879 330332194 /nfs/dbraw/zinc/33/21/94/330332194.db2.gz CEUUITHFSASIBX-GHMZBOCLSA-N 1 0 291.313 3.661 10 0 CHAERO C[C@@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000116878239 330361133 /nfs/dbraw/zinc/36/11/33/330361133.db2.gz FVNUEDUDGRJIID-DLBZAZTESA-N 1 0 295.430 3.619 10 0 CHAERO CCn1cccc1C[NH2+]Cc1ccc(Cl)s1 ZINC000085609774 330366305 /nfs/dbraw/zinc/36/63/05/330366305.db2.gz OZTPAHGKOKVRQL-UHFFFAOYSA-N 1 0 254.786 3.513 10 0 CHAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccccc1Br ZINC000536950249 330382096 /nfs/dbraw/zinc/38/20/96/330382096.db2.gz DZVIKBRGXLMLPZ-GFCCVEGCSA-N 1 0 282.225 3.942 10 0 CHAERO CCC[C@@H]1C[NH2+]C[C@H]1c1ccccc1Br ZINC000536953083 330382745 /nfs/dbraw/zinc/38/27/45/330382745.db2.gz GZWCMPGJDQPCLR-ZYHUDNBSSA-N 1 0 268.198 3.552 10 0 CHAERO CCC[C@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000536955148 330383025 /nfs/dbraw/zinc/38/30/25/330383025.db2.gz UVWVVITWJWJWIX-AAEUAGOBSA-N 1 0 268.198 3.552 10 0 CHAERO CC(C)n1ccc([C@@H]2[NH2+]CC23CCC(F)(F)CC3)c1 ZINC000536960706 330384303 /nfs/dbraw/zinc/38/43/03/330384303.db2.gz STZPRDLWDDHQDY-ZDUSSCGKSA-N 1 0 268.351 3.909 10 0 CHAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1c(Cl)ccc(F)c1Cl ZINC000120345121 330387043 /nfs/dbraw/zinc/38/70/43/330387043.db2.gz UPQAGJCVDVQEHG-VAOFZXAKSA-N 1 0 292.181 3.961 10 0 CHAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000120444078 330388031 /nfs/dbraw/zinc/38/80/31/330388031.db2.gz ASQQQNZGEXFRAF-NHCYSSNCSA-N 1 0 255.308 3.655 10 0 CHAERO Cc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)s1 ZINC000090845703 330396481 /nfs/dbraw/zinc/39/64/81/330396481.db2.gz JBSPKXZKELUYKX-SUNKGSAMSA-N 1 0 288.416 3.667 10 0 CHAERO C[C@@H]1CC([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)C[C@@H](C)O1 ZINC000090966695 330397293 /nfs/dbraw/zinc/39/72/93/330397293.db2.gz PMZGCGASDNBRLQ-XJKCOSOUSA-N 1 0 289.419 3.834 10 0 CHAERO CCn1cc(C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)cn1 ZINC000092809307 330413985 /nfs/dbraw/zinc/41/39/85/330413985.db2.gz IUYHKYQBIWRQLN-UHFFFAOYSA-N 1 0 297.446 3.899 10 0 CHAERO Cc1cccc([C@@H](C)[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000157185250 330770197 /nfs/dbraw/zinc/77/01/97/330770197.db2.gz WAPNXCMOCNOGRV-CQSZACIVSA-N 1 0 279.387 3.733 10 0 CHAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1cccc(O)c1 ZINC000194904104 331072661 /nfs/dbraw/zinc/07/26/61/331072661.db2.gz HRLNCTFIMFBWCL-HUUCEWRRSA-N 1 0 285.387 3.648 10 0 CHAERO CCC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000453230364 331104364 /nfs/dbraw/zinc/10/43/64/331104364.db2.gz XDGVLBFFUHCRRQ-HLPPOEQASA-N 1 0 253.430 3.748 10 0 CHAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1cccnc1 ZINC000195569522 331177990 /nfs/dbraw/zinc/17/79/90/331177990.db2.gz OLKXGLULJHOPKM-PVAVHDDUSA-N 1 0 260.425 3.675 10 0 CHAERO Cc1ccccc1[C@@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1 ZINC000166066297 331306657 /nfs/dbraw/zinc/30/66/57/331306657.db2.gz AJACNEGVBKVNRO-OALUTQOASA-N 1 0 283.415 3.691 10 0 CHAERO C[C@@H]1CCC[C@H](C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000466409353 331395343 /nfs/dbraw/zinc/39/53/43/331395343.db2.gz LCKQPGBBEKDBNA-TUVASFSCSA-N 1 0 253.430 3.606 10 0 CHAERO C[C@@H]1CC(C[NH2+]Cc2ccc(F)c(Cl)c2)C[C@@H](C)O1 ZINC000466411790 331395724 /nfs/dbraw/zinc/39/57/24/331395724.db2.gz GPZDKYOXVXMMDJ-GHMZBOCLSA-N 1 0 285.790 3.772 10 0 CHAERO C[C@H]1C[C@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C[C@@H](C)C1 ZINC000466411855 331395739 /nfs/dbraw/zinc/39/57/39/331395739.db2.gz HNHIBHOFQKBTHE-SGPHBRAGSA-N 1 0 253.430 3.604 10 0 CHAERO Cc1cccc(C)c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466425917 331396610 /nfs/dbraw/zinc/39/66/10/331396610.db2.gz NNSIEXYAUATYJJ-MUJYYYPQSA-N 1 0 261.409 3.597 10 0 CHAERO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)[C@H]1CCCCO1 ZINC000466471175 331397992 /nfs/dbraw/zinc/39/79/92/331397992.db2.gz RIKBLRLTQPZVKH-BLYZHGLHSA-N 1 0 293.373 3.902 10 0 CHAERO C[C@@H]1CC(C[NH2+]CCC2CCCCC2)C[C@@H](C)O1 ZINC000467547126 331421598 /nfs/dbraw/zinc/42/15/98/331421598.db2.gz QVLUESZQGUDLAV-ZIAGYGMSSA-N 1 0 253.430 3.750 10 0 CHAERO Cc1ccccc1[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000503550573 332691723 /nfs/dbraw/zinc/69/17/23/332691723.db2.gz HJWDVESZNDWDFP-KFWWJZLASA-N 1 0 261.409 3.849 10 0 CHAERO CC(C)=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400504537 332712172 /nfs/dbraw/zinc/71/21/72/332712172.db2.gz JNWFZXRKPMZQJL-HUUCEWRRSA-N 1 0 296.455 3.578 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@H+](CCc1ccc(Cl)cc1)CC2 ZINC000308450958 333031643 /nfs/dbraw/zinc/03/16/43/333031643.db2.gz NSNYWYJZYPDOSM-WBVHZDCISA-N 1 0 293.838 3.510 10 0 CHAERO COc1cccc([C@@H](C)[NH2+][C@@H](C)COCc2ccccc2)c1 ZINC000177385543 333058265 /nfs/dbraw/zinc/05/82/65/333058265.db2.gz LUPITMAPMSLBKH-JKSUJKDBSA-N 1 0 299.414 3.951 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]CCn2cc(Cl)cn2)c(C)c1 ZINC000311850476 333073178 /nfs/dbraw/zinc/07/31/78/333073178.db2.gz VVZZZVOJJBHODY-ZDUSSCGKSA-N 1 0 277.799 3.504 10 0 CHAERO Fc1cccc(CCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000182876650 333118090 /nfs/dbraw/zinc/11/80/90/333118090.db2.gz OZOCAXBDOFJNFC-QGZVFWFLSA-N 1 0 287.382 3.709 10 0 CHAERO FC(F)c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000183926999 333123598 /nfs/dbraw/zinc/12/35/98/333123598.db2.gz HLOAKYILMJCMEG-LSDHHAIUSA-N 1 0 281.346 3.768 10 0 CHAERO COc1ccc([C@@H](C)C[NH2+]CCCCCSC)cc1 ZINC000185166918 333136202 /nfs/dbraw/zinc/13/62/02/333136202.db2.gz XJCITROLJSLLGB-AWEZNQCLSA-N 1 0 281.465 3.922 10 0 CHAERO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2C(C)C)cc1F ZINC000337189780 335124675 /nfs/dbraw/zinc/12/46/75/335124675.db2.gz RYSIIRBQVJHRCW-ZDUSSCGKSA-N 1 0 275.371 3.762 10 0 CHAERO CCCC(CCC)[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186311035 333158512 /nfs/dbraw/zinc/15/85/12/333158512.db2.gz RGVIHZBHMQDTFA-JKSUJKDBSA-N 1 0 283.456 3.519 10 0 CHAERO CCO[C@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)C12CCOCC2 ZINC000186356667 333159079 /nfs/dbraw/zinc/15/90/79/333159079.db2.gz IVHXHWFSJARTBO-HOTGVXAUSA-N 1 0 295.467 3.519 10 0 CHAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1c(F)cccc1Cl)CC2 ZINC000220383988 333165816 /nfs/dbraw/zinc/16/58/16/333165816.db2.gz ORCXDHODDXJZNP-BLLLJJGKSA-N 1 0 297.801 3.606 10 0 CHAERO Cc1c([C@@H](C)[NH2+][C@@H](C)C(C)C)cnn1C(C)(C)C ZINC000191127200 333215646 /nfs/dbraw/zinc/21/56/46/333215646.db2.gz FLDWIBUVIFYHNE-NWDGAFQWSA-N 1 0 251.418 3.642 10 0 CHAERO CCC(CC)[C@@H](C[NH2+][C@H]1CC[C@@H](CC)C1)N(C)C ZINC000227188869 333277912 /nfs/dbraw/zinc/27/79/12/333277912.db2.gz XUMNSQROPSIZLE-VNQPRFMTSA-N 1 0 254.462 3.521 10 0 CHAERO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc(-c2ccncc2)c1 ZINC000250062537 333302062 /nfs/dbraw/zinc/30/20/62/333302062.db2.gz NEJNOEJSZFHCFN-MORSLUCNSA-N 1 0 296.414 3.559 10 0 CHAERO COC1CC([NH2+][C@H](C)c2ccc3ccccc3c2)C1 ZINC000230676359 333320595 /nfs/dbraw/zinc/32/05/95/333320595.db2.gz HUBQAXNHKXKNGT-AXOLYNHLSA-N 1 0 255.361 3.668 10 0 CHAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCc2cccc(C)c2)o1 ZINC000231900963 333331625 /nfs/dbraw/zinc/33/16/25/333331625.db2.gz OYAOCNJRYFCOON-DZGCQCFKSA-N 1 0 272.392 3.963 10 0 CHAERO COc1ccccc1C1CC([NH2+]CC2(SC)CCC2)C1 ZINC000234891630 333362715 /nfs/dbraw/zinc/36/27/15/333362715.db2.gz BKRIZDJNUCJUFT-UHFFFAOYSA-N 1 0 291.460 3.817 10 0 CHAERO Cc1nocc1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000339178296 335142168 /nfs/dbraw/zinc/14/21/68/335142168.db2.gz OVIYUGWPZPHURG-SECBINFHSA-N 1 0 295.180 3.596 10 0 CHAERO CC(C)C[C@@H](CN(C)C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000068635124 333716929 /nfs/dbraw/zinc/71/69/29/333716929.db2.gz XSUXXHYPWGPQNH-RUXDESIVSA-N 1 0 294.405 3.673 10 0 CHAERO COC1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000129922582 333799614 /nfs/dbraw/zinc/79/96/14/333799614.db2.gz VMRFWTFAVGJNBR-HPDBWDTBSA-N 1 0 267.457 3.994 10 0 CHAERO Cc1cc(Cl)cc(-c2nc(C3([NH3+])CCCCC3)no2)c1 ZINC000134126416 334081124 /nfs/dbraw/zinc/08/11/24/334081124.db2.gz PFTHPLVWTNSORD-UHFFFAOYSA-N 1 0 291.782 3.817 10 0 CHAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000134241860 334085244 /nfs/dbraw/zinc/08/52/44/334085244.db2.gz GRIXOTAWTXMDAZ-NHYWBVRUSA-N 1 0 291.391 3.821 10 0 CHAERO c1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081639689 334201552 /nfs/dbraw/zinc/20/15/52/334201552.db2.gz AKWFMKJVWAIDBQ-DZKIICNBSA-N 1 0 257.377 3.679 10 0 CHAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](C)c1ccccc1 ZINC000247249297 334278266 /nfs/dbraw/zinc/27/82/66/334278266.db2.gz XQMCNYUPZDKABI-KBXCAEBGSA-N 1 0 297.446 3.978 10 0 CHAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000247933335 334291672 /nfs/dbraw/zinc/29/16/72/334291672.db2.gz CGATVLGCOIVISE-BRWVUGGUSA-N 1 0 297.483 3.624 10 0 CHAERO O[C@]12CCCC[C@@H]1C[N@@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC000248072844 334294259 /nfs/dbraw/zinc/29/42/59/334294259.db2.gz MRHFDSNUDLUIML-QRQLOZEOSA-N 1 0 285.431 3.691 10 0 CHAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CC)C12CCOCC2 ZINC000248905229 334321655 /nfs/dbraw/zinc/32/16/55/334321655.db2.gz BAJJPLIIBVYUEY-LUKYLMHMSA-N 1 0 295.467 3.519 10 0 CHAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC(C)(C)C)C12CCOCC2 ZINC000248975622 334323624 /nfs/dbraw/zinc/32/36/24/334323624.db2.gz HNEUQPKBKQQWLG-BZUAXINKSA-N 1 0 297.483 3.765 10 0 CHAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000251227408 334358526 /nfs/dbraw/zinc/35/85/26/334358526.db2.gz XCDATBYOSRRTLY-DLOVCJGASA-N 1 0 282.453 3.577 10 0 CHAERO C[C@H](c1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252513065 334381775 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1 0 252.264 3.542 10 0 CHAERO CC(C)c1ccc([C@H](O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000054681746 519840121 /nfs/dbraw/zinc/84/01/21/519840121.db2.gz DQWYSYCSWKYRHA-SJORKVTESA-N 1 0 255.361 3.543 10 0 CHAERO CCC[NH2+]C1CCN([C@@H](CC)c2cccs2)CC1 ZINC000049530932 519906381 /nfs/dbraw/zinc/90/63/81/519906381.db2.gz ZHXBCIMKHNGCLU-AWEZNQCLSA-N 1 0 266.454 3.663 10 0 CHAERO CC[NH2+]CC1(Cc2ccc(F)cc2F)CCCC1 ZINC000054655526 519914115 /nfs/dbraw/zinc/91/41/15/519914115.db2.gz UILKEDXHHSSPOZ-UHFFFAOYSA-N 1 0 253.336 3.677 10 0 CHAERO CCC[NH2+]C[C@@H](CCOCC)Cc1ccc(C)cc1 ZINC000052974517 519921357 /nfs/dbraw/zinc/92/13/57/519921357.db2.gz KPIWVOVDQQULHW-KRWDZBQOSA-N 1 0 263.425 3.580 10 0 CHAERO CCC[NH2+]C[C@H](CCOC)Cc1ccc(Cl)cc1 ZINC000052975305 519932888 /nfs/dbraw/zinc/93/28/88/519932888.db2.gz CGCBAMQUOUCFRI-CQSZACIVSA-N 1 0 269.816 3.535 10 0 CHAERO CCC[NH2+]C[C@H](CCCOC)Cc1cccc(Cl)c1 ZINC000052977714 519933383 /nfs/dbraw/zinc/93/33/83/519933383.db2.gz XIQQEZSGBZEOGQ-OAHLLOKOSA-N 1 0 283.843 3.925 10 0 CHAERO CCC[NH2+]C[C@H]1CCN(c2ccc(C(C)C)cc2)C1 ZINC000053010769 519936330 /nfs/dbraw/zinc/93/63/30/519936330.db2.gz AMROTADZXSHPLA-OAHLLOKOSA-N 1 0 260.425 3.636 10 0 CHAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc2cc(OC)ccc2c1 ZINC000054590302 519981915 /nfs/dbraw/zinc/98/19/15/519981915.db2.gz LLOFFISWJOKNJV-NVXWUHKLSA-N 1 0 255.361 3.561 10 0 CHAERO CC[NH2+]Cc1ccc(-c2ccccc2COC)s1 ZINC000049511079 519993199 /nfs/dbraw/zinc/99/31/99/519993199.db2.gz PZDKRRVRSKCCAK-UHFFFAOYSA-N 1 0 261.390 3.671 10 0 CHAERO CC[NH2+][C@@H](C)c1ccc(-n2ccnc2CC)c(Cl)c1 ZINC000061698470 520073875 /nfs/dbraw/zinc/07/38/75/520073875.db2.gz XRLPEZVVIJZIDH-NSHDSACASA-N 1 0 277.799 3.759 10 0 CHAERO CCC[NH2+][C@H](C[C@H]1CCCO1)c1cc(F)ccc1C ZINC000060705129 520086670 /nfs/dbraw/zinc/08/66/70/520086670.db2.gz ZMERGDODEUYFLX-GDBMZVCRSA-N 1 0 265.372 3.744 10 0 CHAERO CC[NH2+][C@@H](Cc1ccccc1Br)c1ccco1 ZINC000054456151 520104258 /nfs/dbraw/zinc/10/42/58/520104258.db2.gz JHRKSHKDWUYCJJ-ZDUSSCGKSA-N 1 0 294.192 3.935 10 0 CHAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cncc(F)c1 ZINC000049576167 520109608 /nfs/dbraw/zinc/10/96/08/520109608.db2.gz WRNHOVYGRPQZBM-AWEZNQCLSA-N 1 0 264.731 3.573 10 0 CHAERO CC[NH2+][C@@H](c1nc(C)cs1)c1ccc(F)c(C)c1 ZINC000050559409 520114534 /nfs/dbraw/zinc/11/45/34/520114534.db2.gz YECSXMKPHYYZEU-CYBMUJFWSA-N 1 0 264.369 3.598 10 0 CHAERO CCCCCN(C)c1nc(C(C)(C)C)c(C[NH2+]C)s1 ZINC000054997044 520155051 /nfs/dbraw/zinc/15/50/51/520155051.db2.gz YFZOSEBMNMSIEC-UHFFFAOYSA-N 1 0 283.485 3.786 10 0 CHAERO CC[NH2+][C@H](C)c1ccc(OC2CCOCC2)c(Cl)c1 ZINC000061699666 520178230 /nfs/dbraw/zinc/17/82/30/520178230.db2.gz OZLLJSXATXAUHO-LLVKDONJSA-N 1 0 283.799 3.568 10 0 CHAERO CCCCC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062664759 520182892 /nfs/dbraw/zinc/18/28/92/520182892.db2.gz SXBOAYXLRSLDBB-SJORKVTESA-N 1 0 268.489 3.911 10 0 CHAERO CC[NH2+][C@H](Cc1cc(F)cc(F)c1)C1CCCC1 ZINC000049349311 520202011 /nfs/dbraw/zinc/20/20/11/520202011.db2.gz HEYYQHHLJVBJMV-OAHLLOKOSA-N 1 0 253.336 3.676 10 0 CHAERO CC[NH2+][C@H](Cc1csc(C)n1)c1cc(C)cc(C)c1 ZINC000055295450 520204678 /nfs/dbraw/zinc/20/46/78/520204678.db2.gz GIMZVDYOGPXBQX-MRXNPFEDSA-N 1 0 274.433 3.962 10 0 CHAERO CC[NH2+][C@H](c1cccc(F)c1)c1cc(C)ccc1F ZINC000055205369 520209638 /nfs/dbraw/zinc/20/96/38/520209638.db2.gz VYBHHIHCIYRQOY-MRXNPFEDSA-N 1 0 261.315 3.972 10 0 CHAERO CCCCCOc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730454 520252007 /nfs/dbraw/zinc/25/20/07/520252007.db2.gz NXIFAYRGBWWDFQ-UHFFFAOYSA-N 1 0 285.815 3.645 10 0 CHAERO CCCOc1ccc(-c2nc(C)c([C@@H](C)[NH3+])s2)cc1 ZINC000052919523 520316814 /nfs/dbraw/zinc/31/68/14/520316814.db2.gz ODORCKZVQWVMKS-SNVBAGLBSA-N 1 0 276.405 3.927 10 0 CHAERO CCCOc1cccc([C@@H]([NH3+])c2nc(C)c(C)s2)c1 ZINC000052921825 520464391 /nfs/dbraw/zinc/46/43/91/520464391.db2.gz ISFLJFDFMYWUNG-CQSZACIVSA-N 1 0 276.405 3.597 10 0 CHAERO CCCCOCC[NH2+][C@H](CCC)c1cccs1 ZINC000049544008 520785994 /nfs/dbraw/zinc/78/59/94/520785994.db2.gz BZYNEQKBXLZNND-CYBMUJFWSA-N 1 0 255.427 3.996 10 0 CHAERO CCC[C@H](C)COc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746275 521019707 /nfs/dbraw/zinc/01/97/07/521019707.db2.gz INJVIIIVVYJVBL-NWDGAFQWSA-N 1 0 253.361 3.921 10 0 CHAERO CCCC[C@@H](CC)Cn1nc(C)c(C[C@@H](C)[NH3+])c1C ZINC000054741125 521038331 /nfs/dbraw/zinc/03/83/31/521038331.db2.gz NNQWUQHMMFKFDA-IUODEOHRSA-N 1 0 265.445 3.606 10 0 CHAERO CCCC[C@](CC)(CCOCC(F)(F)F)C[NH2+]C ZINC000054657792 521253349 /nfs/dbraw/zinc/25/33/49/521253349.db2.gz RSKMPNKSHFEXMU-GFCCVEGCSA-N 1 0 269.351 3.761 10 0 CHAERO CCOc1cccc(O[C@H]([C@H]([NH3+])CC)C(C)(C)C)c1 ZINC000051845541 521404186 /nfs/dbraw/zinc/40/41/86/521404186.db2.gz DYORLFRFNFXZSI-HUUCEWRRSA-N 1 0 265.397 3.616 10 0 CHAERO CCCc1ccc([C@@H](C[C@@H]2CCCO2)[NH2+]CC)cc1 ZINC000055242016 521415384 /nfs/dbraw/zinc/41/53/84/521415384.db2.gz MDCGNJDEEKPMHT-DLBZAZTESA-N 1 0 261.409 3.859 10 0 CHAERO CCCc1ccc([C@@H]([NH2+]CC)[C@@H]2CCCOC2)cc1 ZINC000062233081 521416325 /nfs/dbraw/zinc/41/63/25/521416325.db2.gz WKHZHEZLYNMPDH-IAGOWNOFSA-N 1 0 261.409 3.716 10 0 CHAERO CCN(c1ccccc1)c1ccc(C[NH2+]C)cc1C ZINC000050559948 521500286 /nfs/dbraw/zinc/50/02/86/521500286.db2.gz ZUXKCNVRBRSVIE-UHFFFAOYSA-N 1 0 254.377 3.872 10 0 CHAERO CCCc1nc(N(CC(C)C)CC(C)C)sc1C[NH3+] ZINC000054998472 521531287 /nfs/dbraw/zinc/53/12/87/521531287.db2.gz KXFIREHGSZFAIX-UHFFFAOYSA-N 1 0 283.485 3.673 10 0 CHAERO CCc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]C)CCC2 ZINC000052201372 521802425 /nfs/dbraw/zinc/80/24/25/521802425.db2.gz SWQHMPSJBNWDBC-ZDUSSCGKSA-N 1 0 272.417 3.969 10 0 CHAERO C[NH2+]CC1(O[C@H]2CCC[C@@H](C)C2)CCCCCC1 ZINC000050497847 521972623 /nfs/dbraw/zinc/97/26/23/521972623.db2.gz MAUHWFSIUGYDNH-CABCVRRESA-N 1 0 253.430 3.894 10 0 CHAERO CC[C@@H](C)C[C@@](CC)(C[NH3+])N1Cc2ccccc2C1 ZINC000050910689 522021528 /nfs/dbraw/zinc/02/15/28/522021528.db2.gz SPTWBYOMVXNMBS-PBHICJAKSA-N 1 0 260.425 3.546 10 0 CHAERO C[NH2+]C[C@@H](Cc1ccc(OC)cc1)CC1CCCC1 ZINC000052975905 522033748 /nfs/dbraw/zinc/03/37/48/522033748.db2.gz RMBHXWPFWYIMFH-MRXNPFEDSA-N 1 0 261.409 3.654 10 0 CHAERO C[NH2+]C[C@@H](Cc1ccsc1)Cc1cccc(C)c1 ZINC000052976338 522034954 /nfs/dbraw/zinc/03/49/54/522034954.db2.gz QELLNXWEFUOFPL-MRXNPFEDSA-N 1 0 259.418 3.677 10 0 CHAERO C[NH2+]C[C@@H](O[C@@H](C)c1ccccc1)c1ccccc1 ZINC000050492772 522038392 /nfs/dbraw/zinc/03/83/92/522038392.db2.gz YWODWNNYANNLBB-WMLDXEAASA-N 1 0 255.361 3.725 10 0 CHAERO C[NH2+]C[C@H](Cc1cccc(Cl)c1)CC1CCOCC1 ZINC000052977584 522074292 /nfs/dbraw/zinc/07/42/92/522074292.db2.gz WQPCSUVRTVDMPG-HNNXBMFYSA-N 1 0 281.827 3.535 10 0 CHAERO C[NH2+]C[C@H](O[C@H](C)c1ccccc1)c1ccccc1 ZINC000050492769 522077714 /nfs/dbraw/zinc/07/77/14/522077714.db2.gz YWODWNNYANNLBB-PBHICJAKSA-N 1 0 255.361 3.725 10 0 CHAERO C[NH2+]Cc1cc(F)c(Oc2ccc(C)cc2)c(F)c1 ZINC000062720024 522113806 /nfs/dbraw/zinc/11/38/06/522113806.db2.gz TUNROVWGAIBWER-UHFFFAOYSA-N 1 0 263.287 3.785 10 0 CHAERO C[NH2+]Cc1ccc(COc2cccc(C)c2C)cc1 ZINC000052654774 522116441 /nfs/dbraw/zinc/11/64/41/522116441.db2.gz GXRZCTREYIUADA-UHFFFAOYSA-N 1 0 255.361 3.602 10 0 CHAERO C[NH2+]Cc1occc1COc1cc(C)ccc1Cl ZINC000052697430 522164750 /nfs/dbraw/zinc/16/47/50/522164750.db2.gz QPKSWJMRYXDUGI-UHFFFAOYSA-N 1 0 265.740 3.540 10 0 CHAERO CC[C@@H](C)O[C@@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050484602 522253261 /nfs/dbraw/zinc/25/32/61/522253261.db2.gz PXVRXCZVNNRDFX-DOMZBBRYSA-N 1 0 253.361 3.680 10 0 CHAERO CC[C@@H](C)OCc1cc(C[NH2+]CC(C)C)oc1C ZINC000052669280 522253297 /nfs/dbraw/zinc/25/32/97/522253297.db2.gz XQCLMXGSNULZKK-GFCCVEGCSA-N 1 0 253.386 3.649 10 0 CHAERO C[NH2+][C@@H](C)Cc1ccc(-c2cccc(Cl)c2F)o1 ZINC000062770727 522325016 /nfs/dbraw/zinc/32/50/16/522325016.db2.gz QWHCXTFLNSMEJJ-VIFPVBQESA-N 1 0 267.731 3.890 10 0 CHAERO C[NH2+][C@@H](C)c1ccc(OCc2cccs2)c(F)c1 ZINC000049585740 522335527 /nfs/dbraw/zinc/33/55/27/522335527.db2.gz TZBXTACLHXPLQU-JTQLQIEISA-N 1 0 265.353 3.747 10 0 CHAERO C[NH2+][C@@H](CCCc1ccccc1)Cc1csc(C)n1 ZINC000055295264 522342462 /nfs/dbraw/zinc/34/24/62/522342462.db2.gz GECFKBBBUJDNGJ-HNNXBMFYSA-N 1 0 274.433 3.605 10 0 CHAERO CC[C@H]([NH3+])c1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000054717082 522348870 /nfs/dbraw/zinc/34/88/70/522348870.db2.gz TYRITKCHANGFHR-ZDUSSCGKSA-N 1 0 284.190 3.648 10 0 CHAERO C[NH2+][C@@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000054456001 522360445 /nfs/dbraw/zinc/36/04/45/522360445.db2.gz HFIWKOILDALHAH-LBPRGKRZSA-N 1 0 253.704 3.575 10 0 CHAERO CCc1nc(COc2ccc(C)cc2[C@@H](C)[NH3+])cs1 ZINC000049275599 522364225 /nfs/dbraw/zinc/36/42/25/522364225.db2.gz YEFMASOKJATNPC-LLVKDONJSA-N 1 0 276.405 3.613 10 0 CHAERO C[NH2+][C@@H](c1ccc(Cl)cc1F)c1ccccc1OC ZINC000062786150 522366893 /nfs/dbraw/zinc/36/68/93/522366893.db2.gz KKUITIUVDIOIOO-HNNXBMFYSA-N 1 0 279.742 3.797 10 0 CHAERO C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C(C)(C)C ZINC000061703634 522373131 /nfs/dbraw/zinc/37/31/31/522373131.db2.gz GNIOFPNKGXNTQB-NSHDSACASA-N 1 0 261.287 3.892 10 0 CHAERO C[NH2+][C@@H]1CCN(c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000049711918 522395321 /nfs/dbraw/zinc/39/53/21/522395321.db2.gz XDFLYGNFGZYEQW-BXKDBHETSA-N 1 0 273.207 3.570 10 0 CHAERO CC[C@@H](C)c1ccc(NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000054241026 522427194 /nfs/dbraw/zinc/42/71/94/522427194.db2.gz LQGWEALHMYFQPA-CABCVRRESA-N 1 0 260.425 3.954 10 0 CHAERO C[NH2+][C@H](C)c1ccc(Sc2nnc(C)s2)c(Cl)c1 ZINC000061700245 522450787 /nfs/dbraw/zinc/45/07/87/522450787.db2.gz HEGJOBVALBPWGP-SSDOTTSWSA-N 1 0 299.852 3.932 10 0 CHAERO C[NH2+][C@H](C)c1ccccc1OCCc1cccs1 ZINC000049585799 522450882 /nfs/dbraw/zinc/45/08/82/522450882.db2.gz FMKISAYLXULSTJ-GFCCVEGCSA-N 1 0 261.390 3.650 10 0 CHAERO C[NH2+][C@H](C)c1ccc(Sc2nccn2C)c(Cl)c1 ZINC000061699924 522451497 /nfs/dbraw/zinc/45/14/97/522451497.db2.gz GBCLWESMPASJTF-SECBINFHSA-N 1 0 281.812 3.505 10 0 CHAERO CCc1nc([C@H]([NH2+]C)c2ccc(F)c(C)c2)sc1C ZINC000050559388 522456895 /nfs/dbraw/zinc/45/68/95/522456895.db2.gz LCMXSBHZEDFYBI-CQSZACIVSA-N 1 0 278.396 3.770 10 0 CHAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)c1ccncc1 ZINC000053822246 522474045 /nfs/dbraw/zinc/47/40/45/522474045.db2.gz COUJJANHONKEFB-CQSZACIVSA-N 1 0 281.186 3.892 10 0 CHAERO CC[C@@H](C[NH2+]C(C)C)Oc1ccc(C(F)(F)F)cc1 ZINC000052599831 522546475 /nfs/dbraw/zinc/54/64/75/522546475.db2.gz WCAJYDFSANDFCN-LBPRGKRZSA-N 1 0 275.314 3.861 10 0 CHAERO CNc1cc(C)[nH+]c2ccc(OCC(F)(F)F)cc12 ZINC000050868793 522566087 /nfs/dbraw/zinc/56/60/87/522566087.db2.gz SLRCNUNOLUFHDZ-UHFFFAOYSA-N 1 0 270.254 3.526 10 0 CHAERO CC[C@H]([NH2+]C[C@H](O)c1cccs1)c1cccs1 ZINC000049530473 522629044 /nfs/dbraw/zinc/62/90/44/522629044.db2.gz JUGQVXKNUSQLHG-QWRGUYRKSA-N 1 0 267.419 3.584 10 0 CHAERO CC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)C(C)C ZINC000037236318 522700126 /nfs/dbraw/zinc/70/01/26/522700126.db2.gz FJDGYBLHWDMTNR-LRDDRELGSA-N 1 0 262.397 3.730 10 0 CHAERO COCCC1(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000151182082 523064387 /nfs/dbraw/zinc/06/43/87/523064387.db2.gz PLDFLQCEBQICNZ-ZIAGYGMSSA-N 1 0 253.430 3.608 10 0 CHAERO CC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054558963 523175547 /nfs/dbraw/zinc/17/55/47/523175547.db2.gz VPYIBWSXCGWKQT-OWCLPIDISA-N 1 0 265.441 3.892 10 0 CHAERO CC[C@H]1CSC(N[C@@H](C)c2cc(C)sc2C)=[NH+]1 ZINC000049510479 523353184 /nfs/dbraw/zinc/35/31/84/523353184.db2.gz BSTBSXPAVKUNDT-ONGXEEELSA-N 1 0 268.451 3.897 10 0 CHAERO CC[C@](C)(C[NH2+]C)Cc1ccc(C(F)(F)F)cc1 ZINC000054660404 523463401 /nfs/dbraw/zinc/46/34/01/523463401.db2.gz PYTCPHPSBGTAGK-ZDUSSCGKSA-N 1 0 259.315 3.884 10 0 CHAERO COCCC[C@@H](C[NH2+]C(C)C)Cc1cccc(C)c1 ZINC000052976616 523468182 /nfs/dbraw/zinc/46/81/82/523468182.db2.gz UOXRKWSZNUKUBO-QGZVFWFLSA-N 1 0 263.425 3.578 10 0 CHAERO CC[C@](C)([NH3+])c1nc2c(s1)CCc1sccc1-2 ZINC000061326057 523475098 /nfs/dbraw/zinc/47/50/98/523475098.db2.gz JMTROIKXCUWFAC-ZDUSSCGKSA-N 1 0 264.419 3.554 10 0 CHAERO CC[C@@](C)(C[NH2+]C)Cc1cc(Cl)ccc1OC ZINC000054660283 523638973 /nfs/dbraw/zinc/63/89/73/523638973.db2.gz XVTBFEADPVZECM-CQSZACIVSA-N 1 0 255.789 3.527 10 0 CHAERO COCC[NH2+]C[C@H](CCCc1ccccc1)C(C)C ZINC000054663317 523943726 /nfs/dbraw/zinc/94/37/26/523943726.db2.gz OMORVNOZCKORGW-KRWDZBQOSA-N 1 0 263.425 3.518 10 0 CHAERO CCc1ccc([C@@H](C[NH3+])Nc2cccc(C)c2)cc1 ZINC000057539793 524029156 /nfs/dbraw/zinc/02/91/56/524029156.db2.gz OOBRCJXFIVXQNK-QGZVFWFLSA-N 1 0 254.377 3.669 10 0 CHAERO CCc1ccc([C@]2(C)C[C@@H]2C[NH2+]C(C)(C)C)s1 ZINC000054597319 524057334 /nfs/dbraw/zinc/05/73/34/524057334.db2.gz WSGNAJBLPKVVQZ-IAQYHMDHSA-N 1 0 251.439 3.976 10 0 CHAERO CCc1ccc([C@](C)([NH3+])c2ccc(F)cc2F)cc1 ZINC000055238507 524057377 /nfs/dbraw/zinc/05/73/77/524057377.db2.gz TWRAVMIYZOPBKM-INIZCTEOSA-N 1 0 261.315 3.749 10 0 CHAERO C[C@H](CCC[NH3+])Oc1ccc(Cl)c2ccccc12 ZINC000052701850 524139217 /nfs/dbraw/zinc/13/92/17/524139217.db2.gz NTMLSSUUAFJZDY-LLVKDONJSA-N 1 0 263.768 3.999 10 0 CHAERO C[C@H]1CCC[C@@H](OCC[NH2+]CC2CCCCC2)C1 ZINC000053569174 524150881 /nfs/dbraw/zinc/15/08/81/524150881.db2.gz UJHLGNLIXMLMAH-GOEBONIOSA-N 1 0 253.430 3.752 10 0 CHAERO COc1cccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000037074368 524156967 /nfs/dbraw/zinc/15/69/67/524156967.db2.gz OALDNLRWXAWSAH-GUYCJALGSA-N 1 0 283.371 3.870 10 0 CHAERO COc1ccc(Cl)cc1C[C@]1(C[NH3+])C[C@H]2CC[C@@H]1C2 ZINC000054634675 524213386 /nfs/dbraw/zinc/21/33/86/524213386.db2.gz QKTLPMCXOUUDKO-GHJWDPDVSA-N 1 0 279.811 3.656 10 0 CHAERO C[C@@H]1CCC[N@H+](CC(C)(C)C(=O)c2ccccc2)C1 ZINC000063019179 524221110 /nfs/dbraw/zinc/22/11/10/524221110.db2.gz REOIYJAMKLRHPE-CQSZACIVSA-N 1 0 259.393 3.627 10 0 CHAERO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2N)[C@@H]1C ZINC000050563278 524233416 /nfs/dbraw/zinc/23/34/16/524233416.db2.gz AOFFYUCPGFUYND-GHMZBOCLSA-N 1 0 252.789 3.543 10 0 CHAERO COc1ccccc1-c1ncc(C[NH2+]CC(C)C)s1 ZINC000052331656 524281799 /nfs/dbraw/zinc/28/17/99/524281799.db2.gz AJVACGVXPLRLAF-UHFFFAOYSA-N 1 0 276.405 3.564 10 0 CHAERO C[C@@H]1CCC[C@@H]([NH2+]CCOC[C@@H]2CC=CC[C@@H]2C)C1 ZINC000053561460 524316993 /nfs/dbraw/zinc/31/69/93/524316993.db2.gz JVJFLICIXRRBBM-LTIDMASMSA-N 1 0 265.441 3.774 10 0 CHAERO Cc1ccc(C[N@@H+]2CCCN[C@@H](c3ccccc3)C2)cc1 ZINC000062671248 524447371 /nfs/dbraw/zinc/44/73/71/524447371.db2.gz HQKWKJMYCDFFJU-LJQANCHMSA-N 1 0 280.415 3.532 10 0 CHAERO Cc1ccc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2CC(C)C)cc1 ZINC000062705150 524478773 /nfs/dbraw/zinc/47/87/73/524478773.db2.gz KOCRHGBGUDVEGC-OALUTQOASA-N 1 0 288.479 3.840 10 0 CHAERO C[C@@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000085638188 524501032 /nfs/dbraw/zinc/50/10/32/524501032.db2.gz CLWJJNOBQCQHBJ-LLLHUVSDSA-N 1 0 273.420 3.583 10 0 CHAERO Cc1cc(F)ccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000050569192 524980189 /nfs/dbraw/zinc/98/01/89/524980189.db2.gz JPGNBZISJQAWLQ-KRWDZBQOSA-N 1 0 255.336 3.911 10 0 CHAERO C[C@H]1Cc2cc([C@@H]([NH3+])C3CCCCCC3)ccc2O1 ZINC000053714178 524983199 /nfs/dbraw/zinc/98/31/99/524983199.db2.gz QLLFPIAHFZWSNM-SJCJKPOMSA-N 1 0 259.393 3.980 10 0 CHAERO C[C@H]1c2ccsc2CCN1c1cc(Cl)ccc1C[NH3+] ZINC000062787001 525132570 /nfs/dbraw/zinc/13/25/70/525132570.db2.gz FOYMHQYZEASILT-JTQLQIEISA-N 1 0 292.835 3.984 10 0 CHAERO C[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000129437239 525431638 /nfs/dbraw/zinc/43/16/38/525431638.db2.gz XHJOZBZYELMWLV-TVQRCGJNSA-N 1 0 291.288 3.502 10 0 CHAERO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000130297568 525496853 /nfs/dbraw/zinc/49/68/53/525496853.db2.gz ZHARXJNXZYJDPV-AWEZNQCLSA-N 1 0 271.408 3.618 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000126842480 525636139 /nfs/dbraw/zinc/63/61/39/525636139.db2.gz QIISEBCNADUPOZ-HFJPGXAFSA-N 1 0 259.180 3.635 10 0 CHAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1sccc1Br ZINC000052274784 525636939 /nfs/dbraw/zinc/63/69/39/525636939.db2.gz YPCDVGAOFDQDKW-ZKWXMUAHSA-N 1 0 260.200 3.570 10 0 CHAERO C[C@@H]1[C@@H](C)CCC[N@H+]1C1(CN)CCCCCCC1 ZINC000050563945 525640717 /nfs/dbraw/zinc/64/07/17/525640717.db2.gz QPJVUZLYGCCZSY-LSDHHAIUSA-N 1 0 252.446 3.549 10 0 CHAERO C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccc1Cl ZINC000049508663 525674272 /nfs/dbraw/zinc/67/42/72/525674272.db2.gz QKHACGMJYRFGAE-UGFHNGPFSA-N 1 0 267.800 3.684 10 0 CHAERO Cc1ccc([C@@H](C)n2c(C)[nH+]c3cc(N)ccc32)s1 ZINC000052855235 525753661 /nfs/dbraw/zinc/75/36/61/525753661.db2.gz RPXHWYWPHZWATH-SNVBAGLBSA-N 1 0 271.389 3.906 10 0 CHAERO Cc1ccc([C@H](C)N[C@@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000227398969 525935495 /nfs/dbraw/zinc/93/54/95/525935495.db2.gz WAJGXICZEYNPMR-AEGPPILISA-N 1 0 264.413 3.549 10 0 CHAERO C[C@H](c1ccc(Cl)cc1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602564 526049564 /nfs/dbraw/zinc/04/95/64/526049564.db2.gz RRVRQVOKVYIHDF-GVZPALNKSA-N 1 0 278.827 3.745 10 0 CHAERO C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249554280 526101888 /nfs/dbraw/zinc/10/18/88/526101888.db2.gz JEIOLDKQGVTXDB-COXVUDFISA-N 1 0 287.428 3.517 10 0 CHAERO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1N ZINC000050443193 526256164 /nfs/dbraw/zinc/25/61/64/526256164.db2.gz UPURDWRUOICJRC-NHYWBVRUSA-N 1 0 266.816 3.933 10 0 CHAERO Cc1nn([C@@H](C[NH2+]C(C)(C)C)C(C)C)c(C)c1Cl ZINC000052574060 526303256 /nfs/dbraw/zinc/30/32/56/526303256.db2.gz PMRVRHOCOSRROC-LBPRGKRZSA-N 1 0 271.836 3.739 10 0 CHAERO Fc1ccc(F)c(SCCC[C@@H]2CCC[NH2+]2)c1 ZINC000052782881 526350970 /nfs/dbraw/zinc/35/09/70/526350970.db2.gz ISWUDRUJLSVXLL-NSHDSACASA-N 1 0 257.349 3.589 10 0 CHAERO Oc1ccc([C@@H]([NH2+]C2CCC2)c2ccccc2)cc1 ZINC000052207232 526353045 /nfs/dbraw/zinc/35/30/45/526353045.db2.gz YSJXZDRXRIGOEA-KRWDZBQOSA-N 1 0 253.345 3.624 10 0 CHAERO Cc1nnc(Sc2ccc([C@@H](C)[NH3+])cc2Cl)s1 ZINC000061700251 526391179 /nfs/dbraw/zinc/39/11/79/526391179.db2.gz VAXGFCFRHYFQEU-ZCFIWIBFSA-N 1 0 285.825 3.671 10 0 CHAERO c1ccc2c(c1)CCC[C@H]2OCCC[C@H]1CCC[NH2+]1 ZINC000052764993 526503364 /nfs/dbraw/zinc/50/33/64/526503364.db2.gz PTGPUMJSZFUGLT-NVXWUHKLSA-N 1 0 259.393 3.613 10 0 CHAERO Cc1n[nH]cc1C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131288967 526556659 /nfs/dbraw/zinc/55/66/59/526556659.db2.gz XYRIXLDPOPLGGR-INIZCTEOSA-N 1 0 297.402 3.644 10 0 CHAERO Cc1nc(-c2ccc(C(C)C)cc2)ncc1[C@@H](C)[NH3+] ZINC000054962518 526564936 /nfs/dbraw/zinc/56/49/36/526564936.db2.gz SRTBAUNDNOUGGK-LLVKDONJSA-N 1 0 255.365 3.595 10 0 CHAERO Cc1nc(-c2ccc(C(C)C)cc2)ncc1[C@H](C)[NH3+] ZINC000054962519 526565060 /nfs/dbraw/zinc/56/50/60/526565060.db2.gz SRTBAUNDNOUGGK-NSHDSACASA-N 1 0 255.365 3.595 10 0 CHAERO Cc1oc(C[NH3+])cc1COc1ccccc1C(C)C ZINC000052691123 526772023 /nfs/dbraw/zinc/77/20/23/526772023.db2.gz QUXXFHNZBSUBHA-UHFFFAOYSA-N 1 0 259.349 3.749 10 0 CHAERO Cc1oc(C[NH2+]C(C)(C)C)cc1COC1CCCC1 ZINC000052600927 526775120 /nfs/dbraw/zinc/77/51/20/526775120.db2.gz ULOARLKZSLZYIV-UHFFFAOYSA-N 1 0 265.397 3.935 10 0 CHAERO [NH2+]=C1CCCCN1c1cccc(OC(F)(F)F)c1 ZINC000049584135 526840266 /nfs/dbraw/zinc/84/02/66/526840266.db2.gz FSHUYTNFIKEECE-UHFFFAOYSA-N 1 0 258.243 3.553 10 0 CHAERO Cc1ncc(C[NH2+][C@@H](CC(C)C)c2ccccc2)[nH]1 ZINC000054821912 526890245 /nfs/dbraw/zinc/89/02/45/526890245.db2.gz NGCNGLFWMAYFHS-INIZCTEOSA-N 1 0 257.381 3.595 10 0 CHAERO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)c3ccccc3C)C2)no1 ZINC000127656125 526922917 /nfs/dbraw/zinc/92/29/17/526922917.db2.gz QQCRIADLQLSSBA-GDBMZVCRSA-N 1 0 299.418 3.702 10 0 CHAERO Cc1nc(N(C)[C@@H](C)C(C)C)sc1C[NH2+]CC(C)C ZINC000054997800 526951450 /nfs/dbraw/zinc/95/14/50/526951450.db2.gz CCAOEDNGBDDPLR-ZDUSSCGKSA-N 1 0 283.485 3.678 10 0 CHAERO Cc1nc(N(C)[C@@H](C)C2CC2)sc1C[NH2+]C(C)(C)C ZINC000054997498 526952405 /nfs/dbraw/zinc/95/24/05/526952405.db2.gz NKAVKNBAINHFBG-NSHDSACASA-N 1 0 281.469 3.574 10 0 CHAERO [NH3+]Cc1cc(Cl)ccc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000052856943 527248460 /nfs/dbraw/zinc/24/84/60/527248460.db2.gz REDCKPPGBKFYCL-WFASDCNBSA-N 1 0 278.827 3.958 10 0 CHAERO [NH3+][C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000055368162 527381871 /nfs/dbraw/zinc/38/18/71/527381871.db2.gz HVFZPERTSXYDDP-ZDUSSCGKSA-N 1 0 295.169 3.632 10 0 CHAERO Cc1nccn1-c1cccc(Cl)c1C[NH2+]C(C)(C)C ZINC000062738622 527384302 /nfs/dbraw/zinc/38/43/02/527384302.db2.gz KNRQBNXPBFETAV-UHFFFAOYSA-N 1 0 277.799 3.722 10 0 CHAERO [NH3+][C@H](Cc1ccccc1Br)CC1CCCC1 ZINC000055335333 527389340 /nfs/dbraw/zinc/38/93/40/527389340.db2.gz IUBVVLHPWMHRTF-ZDUSSCGKSA-N 1 0 282.225 3.899 10 0 CHAERO [NH3+][C@H](c1ccc(F)c(F)c1)C1(c2ccccc2)CC1 ZINC000061617742 527391418 /nfs/dbraw/zinc/39/14/18/527391418.db2.gz JBPNMBHVJWLRAH-OAHLLOKOSA-N 1 0 259.299 3.696 10 0 CHAERO [NH3+][C@H](c1ccccc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000054682597 527392180 /nfs/dbraw/zinc/39/21/80/527392180.db2.gz HSMFVAXDTPGGAJ-ZIAGYGMSSA-N 1 0 282.170 3.727 10 0 CHAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(C)cc1C ZINC000083441707 535825193 /nfs/dbraw/zinc/82/51/93/535825193.db2.gz MIYBSKYDJFWRBO-HZPDHXFCSA-N 1 0 260.425 3.516 10 0 CHAERO CC[C@H]1C[NH2+][C@H](C)CN1c1c(Cl)cccc1Cl ZINC000083536524 536169527 /nfs/dbraw/zinc/16/95/27/536169527.db2.gz LWKZCFNYITYYIF-ZJUUUORDSA-N 1 0 273.207 3.570 10 0 CHAERO c1ccc(CCC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000070209491 566861931 /nfs/dbraw/zinc/86/19/31/566861931.db2.gz ZIFKNYPBHUTZEG-GOSISDBHSA-N 1 0 251.373 3.896 10 0 CHAERO CCC[C@@H]([NH3+])c1cc2cccc(Br)c2o1 ZINC000083821465 567028478 /nfs/dbraw/zinc/02/84/78/567028478.db2.gz LMVNITAOQCKNHK-SNVBAGLBSA-N 1 0 268.154 3.995 10 0 CHAERO C[C@H]1CCC[N@@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952310 567209825 /nfs/dbraw/zinc/20/98/25/567209825.db2.gz FJDBTJOYDJZVCO-GJZGRUSLSA-N 1 0 296.455 3.508 10 0 CHAERO CC[NH+](CC)C1(C(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000685961747 567210607 /nfs/dbraw/zinc/21/06/07/567210607.db2.gz WAMBCZAOEHQRGN-UHFFFAOYSA-N 1 0 298.471 3.754 10 0 CHAERO COCCC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000013722570 567867583 /nfs/dbraw/zinc/86/75/83/567867583.db2.gz MVDKSSROTVLAFA-UHFFFAOYSA-N 1 0 299.414 3.700 10 0 CHAERO C[C@@H](c1cccc(-c2ccccc2C(N)=O)c1)[NH+]1CCCC1 ZINC000065405814 567899311 /nfs/dbraw/zinc/89/93/11/567899311.db2.gz GCKOOXVSCIRDLC-AWEZNQCLSA-N 1 0 294.398 3.609 10 0 CHAERO [NH3+][C@@H](CC1CC1)c1cc2cc(Br)ccc2o1 ZINC000309181082 567931527 /nfs/dbraw/zinc/93/15/27/567931527.db2.gz CHYVWWKXNUOWLF-NSHDSACASA-N 1 0 280.165 3.995 10 0 CHAERO C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000019777459 567944914 /nfs/dbraw/zinc/94/49/14/567944914.db2.gz ASQOYWUVIBZWRJ-UHFFFAOYSA-N 1 0 275.779 3.947 10 0 CHAERO C[C@@]1([NH+]2CCC2)CC=C(c2ccccc2C=O)CC1 ZINC000725256662 570259373 /nfs/dbraw/zinc/25/93/73/570259373.db2.gz AQODQUJLISWQJV-QGZVFWFLSA-N 1 0 255.361 3.531 10 0 CHAERO CCC[C@]1(C)[C@H]([NH3+])[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669384412 570352916 /nfs/dbraw/zinc/35/29/16/570352916.db2.gz VNKONQPTWILHRC-ZOMKSWQUSA-N 1 0 296.455 3.540 10 0 CHAERO CCC1([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC000685960948 570406869 /nfs/dbraw/zinc/40/68/69/570406869.db2.gz IITKTRTWDVWHDV-UHFFFAOYSA-N 1 0 296.455 3.652 10 0 CHAERO