smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000840807429 931968878 /nfs/dbraw/zinc/96/88/78/931968878.db2.gz AYUHFSUMIVIUOH-JKSUJKDBSA-N 2 1 289.467 3.135 20 10 CGCDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575689424 962409129 /nfs/dbraw/zinc/40/91/29/962409129.db2.gz HGMVHCSPEMJKFV-DLBZAZTESA-N 2 1 289.467 3.090 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC001575858836 962421849 /nfs/dbraw/zinc/42/18/49/962421849.db2.gz SDNDNCRUDXXZMP-MRXNPFEDSA-N 2 1 276.424 3.123 20 10 CGCDMP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285972835 380155344 /nfs/dbraw/zinc/15/53/44/380155344.db2.gz GDFSBOBZSJBRPQ-OAHLLOKOSA-N 2 1 294.414 3.304 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158129425 618616956 /nfs/dbraw/zinc/61/69/56/618616956.db2.gz ZNSAIRQVKJEYQE-CVEARBPZSA-N 2 1 289.467 3.135 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000158180050 618619808 /nfs/dbraw/zinc/61/98/08/618619808.db2.gz LHADGTQBCDQMAF-MAUKXSAKSA-N 2 1 289.467 3.135 20 10 CGCDMP CCCN(CCC)c1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000841082168 622275733 /nfs/dbraw/zinc/27/57/33/622275733.db2.gz WOUYBEQMKDLFGE-LSDHHAIUSA-N 2 1 277.456 3.138 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(O)c1 ZINC000756491613 626709540 /nfs/dbraw/zinc/70/95/40/626709540.db2.gz WNMOSXHRFAOBCR-CQSZACIVSA-N 2 1 288.435 3.368 20 10 CGCDMP CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775492290 628100073 /nfs/dbraw/zinc/10/00/73/628100073.db2.gz NBXHURXQTMWSHP-BXUZGUMPSA-N 2 1 293.798 3.372 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C)cc1O ZINC000794802843 629578882 /nfs/dbraw/zinc/57/88/82/629578882.db2.gz OYANOLJYVWUYCM-LZWOXQAQSA-N 2 1 276.424 3.224 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C)cc1O ZINC000794802843 629578885 /nfs/dbraw/zinc/57/88/85/629578885.db2.gz OYANOLJYVWUYCM-LZWOXQAQSA-N 2 1 276.424 3.224 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000794803572 629579744 /nfs/dbraw/zinc/57/97/44/629579744.db2.gz APMNJKBWKZLQCP-ZBFHGGJFSA-N 2 1 276.424 3.083 20 10 CGCDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cc(F)ccc1O ZINC000817957893 632253937 /nfs/dbraw/zinc/25/39/37/632253937.db2.gz FWGBOXAGWAFJQS-IAQYHMDHSA-N 2 1 280.387 3.090 20 10 CGCDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958970 632254626 /nfs/dbraw/zinc/25/46/26/632254626.db2.gz NVEINIRFRQHDAE-YJBOKZPZSA-N 2 1 289.467 3.311 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1O ZINC000817958916 632255210 /nfs/dbraw/zinc/25/52/10/632255210.db2.gz MSMMQPAKDXRJON-AAEUAGOBSA-N 2 1 284.831 3.378 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035743 634326799 /nfs/dbraw/zinc/32/67/99/634326799.db2.gz KLSGQTDHDGDSHT-SOFGYWHQSA-N 2 1 289.467 3.086 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841029215 635109031 /nfs/dbraw/zinc/10/90/31/635109031.db2.gz MDXYWNIHDXETCZ-QGZVFWFLSA-N 2 1 289.467 3.284 20 10 CGCDMP [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841086373 635119603 /nfs/dbraw/zinc/11/96/03/635119603.db2.gz INYJUBPCDMMFFV-IUODEOHRSA-N 2 1 294.826 3.010 20 10 CGCDMP Cc1c(C[NH+]2CCC([NH+](C)C)CC2)c2ccccc2n1C ZINC001138252533 803879411 /nfs/dbraw/zinc/87/94/11/803879411.db2.gz KFRSWGHUFOCWIO-UHFFFAOYSA-N 2 1 285.435 3.013 20 10 CGCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205018377 812827622 /nfs/dbraw/zinc/82/76/22/812827622.db2.gz UEXAZHXNVGJKMY-AWEZNQCLSA-N 2 1 290.451 3.121 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205110511 812871854 /nfs/dbraw/zinc/87/18/54/812871854.db2.gz UPBCCIIYCIEDIS-CQSZACIVSA-N 2 1 276.424 3.003 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@@H]1C[NH3+] ZINC001205317107 812949066 /nfs/dbraw/zinc/94/90/66/812949066.db2.gz MDROLEJBWUHLPR-HIFRSBDPSA-N 2 1 290.451 3.106 20 10 CGCDMP Cc1c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205814285 813092069 /nfs/dbraw/zinc/09/20/69/813092069.db2.gz BYCMBKQLHVRODL-ZFWWWQNUSA-N 2 1 285.435 3.046 20 10 CGCDMP Cc1c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205814285 813092075 /nfs/dbraw/zinc/09/20/75/813092075.db2.gz BYCMBKQLHVRODL-ZFWWWQNUSA-N 2 1 285.435 3.046 20 10 CGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001206318610 813287034 /nfs/dbraw/zinc/28/70/34/813287034.db2.gz RXAYSZCOQDTZRW-LJQANCHMSA-N 2 1 298.430 3.496 20 10 CGCDMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(O)c1 ZINC001236457696 819486337 /nfs/dbraw/zinc/48/63/37/819486337.db2.gz PSMUXTBQKGNXBO-UHFFFAOYSA-N 2 1 290.451 3.301 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237410103 819747134 /nfs/dbraw/zinc/74/71/34/819747134.db2.gz BLASQXQRSBZDAB-FUHWJXTLSA-N 2 1 296.414 3.119 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001329150548 935191183 /nfs/dbraw/zinc/19/11/83/935191183.db2.gz YNBXVPLVQMVJTG-VNHYZAJKSA-N 2 1 286.419 3.123 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001329150543 935191366 /nfs/dbraw/zinc/19/13/66/935191366.db2.gz YNBXVPLVQMVJTG-NFAWXSAZSA-N 2 1 286.419 3.123 20 10 CGCDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1O ZINC000019913037 368781309 /nfs/dbraw/zinc/78/13/09/368781309.db2.gz WGBVOZAPDMFQBF-CABCVRRESA-N 2 1 276.424 3.307 20 10 CGCDMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C[NH+]1CCCCC1 ZINC000062747868 619282806 /nfs/dbraw/zinc/28/28/06/619282806.db2.gz GHLAQHLYTBCBHJ-KBPBESRZSA-N 2 1 294.414 3.304 20 10 CGCDMP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000773756975 627911167 /nfs/dbraw/zinc/91/11/67/627911167.db2.gz XYFBWJHFDJQQLW-MAUKXSAKSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000773756975 627911170 /nfs/dbraw/zinc/91/11/70/627911170.db2.gz XYFBWJHFDJQQLW-MAUKXSAKSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000773756975 627911175 /nfs/dbraw/zinc/91/11/75/627911175.db2.gz XYFBWJHFDJQQLW-MAUKXSAKSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000773756975 627911180 /nfs/dbraw/zinc/91/11/80/627911180.db2.gz XYFBWJHFDJQQLW-MAUKXSAKSA-N 2 1 289.467 3.057 20 10 CGCDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000862482371 629384609 /nfs/dbraw/zinc/38/46/09/629384609.db2.gz GXWPIHCOOHUYMN-HNNXBMFYSA-N 2 1 298.430 3.367 20 10 CGCDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000863540891 629600888 /nfs/dbraw/zinc/60/08/88/629600888.db2.gz FNBXCKSOWWCXPD-IAGOWNOFSA-N 2 1 287.451 3.078 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000808698965 630666388 /nfs/dbraw/zinc/66/63/88/630666388.db2.gz OIOWOEUNNFHURP-SGMGOOAPSA-N 2 1 296.842 3.487 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000808698965 630666392 /nfs/dbraw/zinc/66/63/92/630666392.db2.gz OIOWOEUNNFHURP-SGMGOOAPSA-N 2 1 296.842 3.487 20 10 CGCDMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1O ZINC000817941308 632241192 /nfs/dbraw/zinc/24/11/92/632241192.db2.gz RWONJMXENFTXRG-KRWDZBQOSA-N 2 1 299.418 3.008 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(O)c1C ZINC000817958974 632254666 /nfs/dbraw/zinc/25/46/66/632254666.db2.gz NVOPHVCXGIIONT-ZIAGYGMSSA-N 2 1 264.413 3.033 20 10 CGCDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817958741 632255021 /nfs/dbraw/zinc/25/50/21/632255021.db2.gz MDDYBSHJOKHUNA-XJKSGUPXSA-N 2 1 290.451 3.295 20 10 CGCDMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(C)cc1O ZINC000817959726 632255222 /nfs/dbraw/zinc/25/52/22/632255222.db2.gz UVVNLDZKFOUWQL-DZGCQCFKSA-N 2 1 264.413 3.115 20 10 CGCDMP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817983903 632272854 /nfs/dbraw/zinc/27/28/54/632272854.db2.gz LCJIODJEOKTCJO-BBRMVZONSA-N 2 1 288.435 3.064 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825168555 633333994 /nfs/dbraw/zinc/33/39/94/633333994.db2.gz ZWJOQIBZTKLMOT-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000825699069 633374957 /nfs/dbraw/zinc/37/49/57/633374957.db2.gz RVDHNELQELUAFZ-CQSZACIVSA-N 2 1 296.842 3.270 20 10 CGCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000872723788 634196479 /nfs/dbraw/zinc/19/64/79/634196479.db2.gz BQHKXJUWVSYAEE-YJBOKZPZSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000872723788 634196483 /nfs/dbraw/zinc/19/64/83/634196483.db2.gz BQHKXJUWVSYAEE-YJBOKZPZSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000872723788 634196487 /nfs/dbraw/zinc/19/64/87/634196487.db2.gz BQHKXJUWVSYAEE-YJBOKZPZSA-N 2 1 296.414 3.071 20 10 CGCDMP CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1O ZINC000873245611 634299087 /nfs/dbraw/zinc/29/90/87/634299087.db2.gz SHDQKUNDNNSLBA-DZGCQCFKSA-N 2 1 294.414 3.350 20 10 CGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2O)CC1 ZINC000876623572 634869744 /nfs/dbraw/zinc/86/97/44/634869744.db2.gz MAPOSYDTRGEMBK-UHFFFAOYSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(O)c1 ZINC000877114773 634987926 /nfs/dbraw/zinc/98/79/26/634987926.db2.gz AXAVCECHJBBHEG-INIZCTEOSA-N 2 1 290.451 3.158 20 10 CGCDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000841758615 635231275 /nfs/dbraw/zinc/23/12/75/635231275.db2.gz UAEYIYPBZSNBLW-STQMWFEESA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000841758615 635231279 /nfs/dbraw/zinc/23/12/79/635231279.db2.gz UAEYIYPBZSNBLW-STQMWFEESA-N 2 1 296.842 3.428 20 10 CGCDMP CCc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000848894931 636678977 /nfs/dbraw/zinc/67/89/77/636678977.db2.gz IAZQRFZZMFKZDC-OAHLLOKOSA-N 2 1 290.451 3.165 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248746287 640780176 /nfs/dbraw/zinc/78/01/76/640780176.db2.gz DNSCSTPWNSWFFA-MJGOQNOKSA-N 2 1 299.462 3.003 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1O ZINC000036996634 798854952 /nfs/dbraw/zinc/85/49/52/798854952.db2.gz VZSSWQBMEICTLX-HRCADAONSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1O ZINC000036996634 798854961 /nfs/dbraw/zinc/85/49/61/798854961.db2.gz VZSSWQBMEICTLX-HRCADAONSA-N 2 1 274.408 3.060 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000700818077 799880601 /nfs/dbraw/zinc/88/06/01/799880601.db2.gz JJJNAWABHYASGL-CABCVRRESA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1c(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c2ccccc2n1C ZINC001138259295 803884852 /nfs/dbraw/zinc/88/48/52/803884852.db2.gz DTGWEEREYQYYJS-BEFAXECRSA-N 2 1 297.446 3.013 20 10 CGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC001140056050 804361962 /nfs/dbraw/zinc/36/19/62/804361962.db2.gz GGFOHXCCGFEJJO-UHFFFAOYSA-N 2 1 294.414 3.228 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246927549 804603913 /nfs/dbraw/zinc/60/39/13/804603913.db2.gz WQQATVCOOATIQO-JLVBRIDZSA-N 2 1 289.467 3.104 20 10 CGCDMP C[N@H+](Cc1cccc(C(C)(C)C)c1O)C1CC[NH+](C)CC1 ZINC001143103686 804801853 /nfs/dbraw/zinc/80/18/53/804801853.db2.gz IVBUDUWDALPGDM-UHFFFAOYSA-N 2 1 290.451 3.216 20 10 CGCDMP C[N@@H+](Cc1cccc(C(C)(C)C)c1O)C1CC[NH+](C)CC1 ZINC001143103686 804801860 /nfs/dbraw/zinc/80/18/60/804801860.db2.gz IVBUDUWDALPGDM-UHFFFAOYSA-N 2 1 290.451 3.216 20 10 CGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001275960359 808978896 /nfs/dbraw/zinc/97/88/96/808978896.db2.gz UAODTUYGDLSFOC-JLYLLQBASA-N 2 1 299.462 3.002 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001180001834 809966078 /nfs/dbraw/zinc/96/60/78/809966078.db2.gz GCJGRGMMUGKNFU-UHFFFAOYSA-N 2 1 290.451 3.289 20 10 CGCDMP CCC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H](C)CC ZINC001204630627 812695052 /nfs/dbraw/zinc/69/50/52/812695052.db2.gz PTOHEPWKNTVJPG-MRXNPFEDSA-N 2 1 289.467 3.107 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205064882 812843683 /nfs/dbraw/zinc/84/36/83/812843683.db2.gz ZKHKZYGEMCTPMV-HOCLYGCPSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205064882 812843692 /nfs/dbraw/zinc/84/36/92/812843692.db2.gz ZKHKZYGEMCTPMV-HOCLYGCPSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001205332308 812959204 /nfs/dbraw/zinc/95/92/04/812959204.db2.gz OGPWSKRYPRFNEN-HNNXBMFYSA-N 2 1 296.414 3.243 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(O)c1 ZINC001205652842 813041548 /nfs/dbraw/zinc/04/15/48/813041548.db2.gz RIUYMPHQFJXNPQ-ZBFHGGJFSA-N 2 1 290.451 3.322 20 10 CGCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001205915843 813131720 /nfs/dbraw/zinc/13/17/20/813131720.db2.gz QVWXYCBBTKRDDQ-BBRMVZONSA-N 2 1 284.403 3.105 20 10 CGCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001205917513 813134705 /nfs/dbraw/zinc/13/47/05/813134705.db2.gz ZLTKWXKVLHWXIF-ZIAGYGMSSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1[NH3+] ZINC001206043913 813179529 /nfs/dbraw/zinc/17/95/29/813179529.db2.gz ZNTZOXVOXPCOFH-RDTXWAMCSA-N 2 1 296.414 3.228 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1[NH3+] ZINC001206043913 813179532 /nfs/dbraw/zinc/17/95/32/813179532.db2.gz ZNTZOXVOXPCOFH-RDTXWAMCSA-N 2 1 296.414 3.228 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)c1 ZINC001206326438 813289670 /nfs/dbraw/zinc/28/96/70/813289670.db2.gz NLDOIVUOSBZXQW-GOSISDBHSA-N 2 1 290.451 3.467 20 10 CGCDMP Cc1cc(F)cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1O ZINC001206599892 813370378 /nfs/dbraw/zinc/37/03/78/813370378.db2.gz YKYWYEUKKXUIMD-INIZCTEOSA-N 2 1 294.414 3.192 20 10 CGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1 ZINC001232017845 818236388 /nfs/dbraw/zinc/23/63/88/818236388.db2.gz ZPFRNDAZIFHQIX-UHFFFAOYSA-N 2 1 294.402 3.261 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC001235675297 819135297 /nfs/dbraw/zinc/13/52/97/819135297.db2.gz VJGSFBYUPWTZHJ-SFHVURJKSA-N 2 1 297.446 3.265 20 10 CGCDMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235905025 819214676 /nfs/dbraw/zinc/21/46/76/819214676.db2.gz KNIKVALVXJDABW-RHSMWYFYSA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235905025 819214680 /nfs/dbraw/zinc/21/46/80/819214680.db2.gz KNIKVALVXJDABW-RHSMWYFYSA-N 2 1 296.414 3.371 20 10 CGCDMP CC(C)[N@H+](CC[NH3+])Cc1ccc(N(C)C)c2ccccc12 ZINC001235948556 819237350 /nfs/dbraw/zinc/23/73/50/819237350.db2.gz PSBADWDECXAXHN-UHFFFAOYSA-N 2 1 285.435 3.075 20 10 CGCDMP CC(C)[N@@H+](CC[NH3+])Cc1ccc(N(C)C)c2ccccc12 ZINC001235948556 819237355 /nfs/dbraw/zinc/23/73/55/819237355.db2.gz PSBADWDECXAXHN-UHFFFAOYSA-N 2 1 285.435 3.075 20 10 CGCDMP C[N@H+](Cc1ccc(C(C)(C)C)cc1O)C[C@@H]1CCC[NH2+]C1 ZINC001235957292 819245981 /nfs/dbraw/zinc/24/59/81/819245981.db2.gz MDFQHQMNGNDJAV-CQSZACIVSA-N 2 1 290.451 3.121 20 10 CGCDMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236421326 819467855 /nfs/dbraw/zinc/46/78/55/819467855.db2.gz UFLFXDPXFDPGMA-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236421326 819467856 /nfs/dbraw/zinc/46/78/56/819467856.db2.gz UFLFXDPXFDPGMA-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP Cc1ccc(O)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457395 819486090 /nfs/dbraw/zinc/48/60/90/819486090.db2.gz NLAZXVXBBDPLAB-UHFFFAOYSA-N 2 1 290.451 3.301 20 10 CGCDMP CCc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(O)c1 ZINC001236792944 819597184 /nfs/dbraw/zinc/59/71/84/819597184.db2.gz UJJIABXGHRQWJQ-UHFFFAOYSA-N 2 1 288.435 3.013 20 10 CGCDMP CCc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(O)c1 ZINC001236792944 819597186 /nfs/dbraw/zinc/59/71/86/819597186.db2.gz UJJIABXGHRQWJQ-UHFFFAOYSA-N 2 1 288.435 3.013 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001237050395 819652625 /nfs/dbraw/zinc/65/26/25/819652625.db2.gz AGYJUQWFYWHETN-GOSISDBHSA-N 2 1 288.435 3.043 20 10 CGCDMP CC(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001237050395 819652630 /nfs/dbraw/zinc/65/26/30/819652630.db2.gz AGYJUQWFYWHETN-GOSISDBHSA-N 2 1 288.435 3.043 20 10 CGCDMP CC(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001237050395 819652632 /nfs/dbraw/zinc/65/26/32/819652632.db2.gz AGYJUQWFYWHETN-GOSISDBHSA-N 2 1 288.435 3.043 20 10 CGCDMP Cc1ccc(C)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1O ZINC001237157034 819683147 /nfs/dbraw/zinc/68/31/47/819683147.db2.gz YEHADGQAHVOFPZ-INIZCTEOSA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1ccc(C)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1O ZINC001237157034 819683149 /nfs/dbraw/zinc/68/31/49/819683149.db2.gz YEHADGQAHVOFPZ-INIZCTEOSA-N 2 1 288.435 3.116 20 10 CGCDMP Oc1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc2ccccc21 ZINC001237407551 819745728 /nfs/dbraw/zinc/74/57/28/819745728.db2.gz XZUYQLTYEWKXPL-YJBOKZPZSA-N 2 1 296.414 3.119 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1O ZINC000155480541 928253405 /nfs/dbraw/zinc/25/34/05/928253405.db2.gz IPOBFUOGBURYDQ-HOCLYGCPSA-N 2 1 276.424 3.165 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C)cc1O ZINC000373561311 379297319 /nfs/dbraw/zinc/29/73/19/379297319.db2.gz MIGLQUSXDFWKAM-INMHGKMJSA-N 2 1 288.435 3.368 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(F)cc1O ZINC000286207540 380176409 /nfs/dbraw/zinc/17/64/09/380176409.db2.gz RWNIHEZZESKKQF-RLCCDNCMSA-N 2 1 292.398 3.055 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000221913549 393008677 /nfs/dbraw/zinc/00/86/77/393008677.db2.gz QTMWHPDOBKXVQK-HNNXBMFYSA-N 2 1 277.456 3.134 20 10 CGCDMP Cc1cc(O)c(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1C ZINC000897982175 620462198 /nfs/dbraw/zinc/46/21/98/620462198.db2.gz WVVFWRVVVLGUBB-UHFFFAOYSA-N 2 1 288.435 3.116 20 10 CGCDMP Oc1cccc(Cl)c1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960082 621837527 /nfs/dbraw/zinc/83/75/27/621837527.db2.gz WPSWSYHEOFBXSX-MRXNPFEDSA-N 2 1 294.826 3.011 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2c1c(F)ccc2O ZINC000756615965 626720314 /nfs/dbraw/zinc/72/03/14/626720314.db2.gz XTYIZTRPKRBKBC-NMKXLXIOSA-N 2 1 292.398 3.152 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2c1c(F)ccc2O ZINC000756615965 626720318 /nfs/dbraw/zinc/72/03/18/626720318.db2.gz XTYIZTRPKRBKBC-NMKXLXIOSA-N 2 1 292.398 3.152 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1C ZINC000756613711 626720861 /nfs/dbraw/zinc/72/08/61/626720861.db2.gz QICHMYRSJVMGRN-SNPRPXQTSA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1C ZINC000756613711 626720863 /nfs/dbraw/zinc/72/08/63/626720863.db2.gz QICHMYRSJVMGRN-SNPRPXQTSA-N 2 1 276.424 3.142 20 10 CGCDMP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000773756972 627911060 /nfs/dbraw/zinc/91/10/60/627911060.db2.gz XYFBWJHFDJQQLW-CRAIPNDOSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000773756972 627911064 /nfs/dbraw/zinc/91/10/64/627911064.db2.gz XYFBWJHFDJQQLW-CRAIPNDOSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000773756972 627911069 /nfs/dbraw/zinc/91/10/69/627911069.db2.gz XYFBWJHFDJQQLW-CRAIPNDOSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000773756972 627911073 /nfs/dbraw/zinc/91/10/73/627911073.db2.gz XYFBWJHFDJQQLW-CRAIPNDOSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716390 628128343 /nfs/dbraw/zinc/12/83/43/628128343.db2.gz VREXBFHDFLBGED-HOCLYGCPSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716390 628128344 /nfs/dbraw/zinc/12/83/44/628128344.db2.gz VREXBFHDFLBGED-HOCLYGCPSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716390 628128346 /nfs/dbraw/zinc/12/83/46/628128346.db2.gz VREXBFHDFLBGED-HOCLYGCPSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000863541695 629602471 /nfs/dbraw/zinc/60/24/71/629602471.db2.gz AHVNPGBWLQSBGD-AFAVFJNCSA-N 2 1 284.403 3.337 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000815578416 631798927 /nfs/dbraw/zinc/79/89/27/631798927.db2.gz NVMGPCKXRAMTQJ-CABCVRRESA-N 2 1 276.424 3.001 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1O ZINC000817961395 632257353 /nfs/dbraw/zinc/25/73/53/632257353.db2.gz XZATWMAVJQJPKM-CQDKDKBSSA-N 2 1 280.387 3.090 20 10 CGCDMP CCCOc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1C ZINC000873030201 634234557 /nfs/dbraw/zinc/23/45/57/634234557.db2.gz CAKYTPHJVMVMNY-UHFFFAOYSA-N 2 1 287.407 3.079 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1O ZINC000873260867 634308079 /nfs/dbraw/zinc/30/80/79/634308079.db2.gz JCXDOVRLNJIXKE-AEIGPULVSA-N 2 1 292.398 3.103 20 10 CGCDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000019913117 634376023 /nfs/dbraw/zinc/37/60/23/634376023.db2.gz OOFOEMYQSLJWMN-ZDUSSCGKSA-N 2 1 296.842 3.400 20 10 CGCDMP [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841086375 635119887 /nfs/dbraw/zinc/11/98/87/635119887.db2.gz INYJUBPCDMMFFV-SWLSCSKDSA-N 2 1 294.826 3.010 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1O ZINC000853239981 637790914 /nfs/dbraw/zinc/79/09/14/637790914.db2.gz LDLSARBLVJMAFL-GOEBONIOSA-N 2 1 288.435 3.165 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(O)c1C ZINC000858490085 638739290 /nfs/dbraw/zinc/73/92/90/638739290.db2.gz BAWFSWNVJQZOFA-HOTGVXAUSA-N 2 1 290.451 3.392 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1O ZINC000700817658 799879837 /nfs/dbraw/zinc/87/98/37/799879837.db2.gz DWBIOAATVKASTB-GDBMZVCRSA-N 2 1 276.424 3.165 20 10 CGCDMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001255973365 806804023 /nfs/dbraw/zinc/80/40/23/806804023.db2.gz ZCIAABNWHNJBDD-INIZCTEOSA-N 2 1 291.483 3.305 20 10 CGCDMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1C[NH3+] ZINC001205151008 812887647 /nfs/dbraw/zinc/88/76/47/812887647.db2.gz NDUHSULDHGERSI-WMLDXEAASA-N 2 1 296.414 3.086 20 10 CGCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001205915846 813130776 /nfs/dbraw/zinc/13/07/76/813130776.db2.gz QVWXYCBBTKRDDQ-XJKSGUPXSA-N 2 1 284.403 3.105 20 10 CGCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001205916593 813133014 /nfs/dbraw/zinc/13/30/14/813133014.db2.gz UQTLWTHGCUDWIN-DZGCQCFKSA-N 2 1 284.403 3.105 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1O ZINC001206021729 813169250 /nfs/dbraw/zinc/16/92/50/813169250.db2.gz AULKEEXDAFCRNQ-STQMWFEESA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001206572551 813359942 /nfs/dbraw/zinc/35/99/42/813359942.db2.gz CNMIQPGDLFFFMJ-IBGZPJMESA-N 2 1 298.430 3.496 20 10 CGCDMP Oc1ccccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161842 816366144 /nfs/dbraw/zinc/36/61/44/816366144.db2.gz RJLSOWARUNYZGY-SFHVURJKSA-N 2 1 288.435 3.138 20 10 CGCDMP Cc1cc(C)c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001235179761 819026227 /nfs/dbraw/zinc/02/62/27/819026227.db2.gz SIXSWZHHSHDVSC-GOSISDBHSA-N 2 1 288.435 3.117 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC001235472336 819108034 /nfs/dbraw/zinc/10/80/34/819108034.db2.gz JFZWJQNRZKLISE-UHFFFAOYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236094690 819311660 /nfs/dbraw/zinc/31/16/60/819311660.db2.gz HTEINDDVHVFQOI-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236094690 819311668 /nfs/dbraw/zinc/31/16/68/819311668.db2.gz HTEINDDVHVFQOI-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236214701 819377971 /nfs/dbraw/zinc/37/79/71/819377971.db2.gz DTZITHLSZAVRJE-KGLIPLIRSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236214701 819377976 /nfs/dbraw/zinc/37/79/76/819377976.db2.gz DTZITHLSZAVRJE-KGLIPLIRSA-N 2 1 282.815 3.056 20 10 CGCDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001326222749 934961125 /nfs/dbraw/zinc/96/11/25/934961125.db2.gz RHLIGIRECCVFAR-JLYLLQBASA-N 2 1 299.462 3.131 20 10 CGCDMP CC(C)C[N@H+](Cc1ccc(N)cc1)CC1CC[NH+](C)CC1 ZINC001336287074 936185872 /nfs/dbraw/zinc/18/58/72/936185872.db2.gz WRTBOSRIFOPYPW-UHFFFAOYSA-N 2 1 289.467 3.069 20 10 CGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297504984 373271714 /nfs/dbraw/zinc/27/17/14/373271714.db2.gz CGBWRPBDKILIMU-HOCLYGCPSA-N 2 1 288.435 3.090 20 10 CGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185545299 374684684 /nfs/dbraw/zinc/68/46/84/374684684.db2.gz IPNYDZMHBBXEDM-CQSZACIVSA-N 2 1 287.407 3.337 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273438490 378746291 /nfs/dbraw/zinc/74/62/91/378746291.db2.gz XTQARVHRMCBSEP-HZPDHXFCSA-N 2 1 290.451 3.392 20 10 CGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183494992 261976803 /nfs/dbraw/zinc/97/68/03/261976803.db2.gz ZZYFLVKSQGIBAL-LSDHHAIUSA-N 2 1 276.424 3.163 20 10 CGCDMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1O ZINC000062745109 525394674 /nfs/dbraw/zinc/39/46/74/525394674.db2.gz SASPZEMMDBKPPZ-LLVKDONJSA-N 2 1 294.414 3.491 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1O ZINC000841744133 620345351 /nfs/dbraw/zinc/34/53/51/620345351.db2.gz FIIYFVBTWHLNMT-UBHSHLNASA-N 2 1 294.826 3.323 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1O ZINC000841744133 620345357 /nfs/dbraw/zinc/34/53/57/620345357.db2.gz FIIYFVBTWHLNMT-UBHSHLNASA-N 2 1 294.826 3.323 20 10 CGCDMP CCc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1O ZINC000897983073 620462315 /nfs/dbraw/zinc/46/23/15/620462315.db2.gz XTODWAIBNOJUFO-UHFFFAOYSA-N 2 1 288.435 3.061 20 10 CGCDMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000840809347 626192695 /nfs/dbraw/zinc/19/26/95/626192695.db2.gz JRUGZIQXLJPPOG-WBVHZDCISA-N 2 1 290.451 3.473 20 10 CGCDMP CCC[N@@H+](Cc1ccc(N(C)C)cc1C)C1CC[NH2+]CC1 ZINC000843045354 626762448 /nfs/dbraw/zinc/76/24/48/626762448.db2.gz VBXFRBXMRSSSIR-UHFFFAOYSA-N 2 1 289.467 3.025 20 10 CGCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778999192 628382061 /nfs/dbraw/zinc/38/20/61/628382061.db2.gz ACVNBJJFGCESJP-UHFFFAOYSA-N 2 1 294.414 3.084 20 10 CGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000809753504 630800861 /nfs/dbraw/zinc/80/08/61/630800861.db2.gz UOBLDULSWSLAHJ-UHFFFAOYSA-N 2 1 293.798 3.073 20 10 CGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000809753504 630800865 /nfs/dbraw/zinc/80/08/65/630800865.db2.gz UOBLDULSWSLAHJ-UHFFFAOYSA-N 2 1 293.798 3.073 20 10 CGCDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2O)CCN1C ZINC000816514798 631999058 /nfs/dbraw/zinc/99/90/58/631999058.db2.gz HSENTTWRGDGLOQ-YOEHRIQHSA-N 2 1 298.430 3.460 20 10 CGCDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817958379 632252979 /nfs/dbraw/zinc/25/29/79/632252979.db2.gz IYNCQZDLXZZGTG-NQBHXWOUSA-N 2 1 280.387 3.043 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965213 632259918 /nfs/dbraw/zinc/25/99/18/632259918.db2.gz NVJFXLNQSNBONB-RDTXWAMCSA-N 2 1 287.451 3.065 20 10 CGCDMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817978090 632268692 /nfs/dbraw/zinc/26/86/92/632268692.db2.gz VTMHZRXCHDPOBH-RDBSUJKOSA-N 2 1 293.430 3.202 20 10 CGCDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982689 632272993 /nfs/dbraw/zinc/27/29/93/632272993.db2.gz VLYRMILYHXIJIJ-ZWKOTPCHSA-N 2 1 289.467 3.311 20 10 CGCDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982687 632273362 /nfs/dbraw/zinc/27/33/62/632273362.db2.gz VLYRMILYHXIJIJ-QZTJIDSGSA-N 2 1 289.467 3.311 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825130796 633331727 /nfs/dbraw/zinc/33/17/27/633331727.db2.gz FXGNEOKZQCFFKJ-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000873060772 634238630 /nfs/dbraw/zinc/23/86/30/634238630.db2.gz MYBUGNYAHSMSLR-RDJZCZTQSA-N 2 1 290.451 3.356 20 10 CGCDMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1O ZINC000834908962 634284626 /nfs/dbraw/zinc/28/46/26/634284626.db2.gz NMFZEZUDIOOKHI-MRXNPFEDSA-N 2 1 276.424 3.307 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000873256798 634305098 /nfs/dbraw/zinc/30/50/98/634305098.db2.gz OLLVILPWQSFSIV-IWSPIJDZSA-N 2 1 289.206 3.087 20 10 CGCDMP Cc1cccc(O)c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000876897794 634923529 /nfs/dbraw/zinc/92/35/29/634923529.db2.gz XJMCGTOOUJMDGL-HNNXBMFYSA-N 2 1 276.424 3.055 20 10 CGCDMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(O)c1 ZINC000877525243 635071616 /nfs/dbraw/zinc/07/16/16/635071616.db2.gz WOPBYJGFABHUQZ-UHFFFAOYSA-N 2 1 298.430 3.394 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000846177417 636153907 /nfs/dbraw/zinc/15/39/07/636153907.db2.gz ORBRXHJYEUUSAO-CYBMUJFWSA-N 2 1 282.403 3.160 20 10 CGCDMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000846177417 636153911 /nfs/dbraw/zinc/15/39/11/636153911.db2.gz ORBRXHJYEUUSAO-CYBMUJFWSA-N 2 1 282.403 3.160 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000846177417 636153914 /nfs/dbraw/zinc/15/39/14/636153914.db2.gz ORBRXHJYEUUSAO-CYBMUJFWSA-N 2 1 282.403 3.160 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(O)c1 ZINC000858490788 638741321 /nfs/dbraw/zinc/74/13/21/638741321.db2.gz OKYUPWWGSXFCLD-JKSUJKDBSA-N 2 1 290.451 3.392 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000247017378 640707085 /nfs/dbraw/zinc/70/70/85/640707085.db2.gz LNUIWBKHZZEBIQ-CVEARBPZSA-N 2 1 289.467 3.135 20 10 CGCDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093693233 640780501 /nfs/dbraw/zinc/78/05/01/640780501.db2.gz LDCMHEFZCZIJLP-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093693233 640780505 /nfs/dbraw/zinc/78/05/05/640780505.db2.gz LDCMHEFZCZIJLP-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP Cc1c(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c2ccccc2n1C ZINC001138259296 803885237 /nfs/dbraw/zinc/88/52/37/803885237.db2.gz DTGWEEREYQYYJS-DNVCBOLYSA-N 2 1 297.446 3.013 20 10 CGCDMP CN(C)c1ccc(C[N@@H+](C)C2CCC([NH+](C)C)CC2)cc1 ZINC001168329216 807386582 /nfs/dbraw/zinc/38/65/82/807386582.db2.gz QFMWYLVFYZFMEI-UHFFFAOYSA-N 2 1 289.467 3.057 20 10 CGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2O)CC1 ZINC001203562201 812394338 /nfs/dbraw/zinc/39/43/38/812394338.db2.gz DXGAOBNDVLBASJ-UHFFFAOYSA-N 2 1 276.424 3.089 20 10 CGCDMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001204945624 812791740 /nfs/dbraw/zinc/79/17/40/812791740.db2.gz HWDRNHFCBJAWHK-IBGZPJMESA-N 2 1 296.414 3.372 20 10 CGCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001204945624 812791743 /nfs/dbraw/zinc/79/17/43/812791743.db2.gz HWDRNHFCBJAWHK-IBGZPJMESA-N 2 1 296.414 3.372 20 10 CGCDMP C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206014549 813166068 /nfs/dbraw/zinc/16/60/68/813166068.db2.gz XOAWAOPJEWDUGV-GDBMZVCRSA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCC[C@H]1C[NH3+] ZINC001206014527 813166259 /nfs/dbraw/zinc/16/62/59/813166259.db2.gz XFAWWRQGKYMUJB-HOCLYGCPSA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001206805101 813441394 /nfs/dbraw/zinc/44/13/94/813441394.db2.gz ABGCTVSRNLCANX-KGLIPLIRSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c2ccccc2n1C ZINC001236214177 819376678 /nfs/dbraw/zinc/37/66/78/819376678.db2.gz COFMSAWJWMMJKP-AEFFLSMTSA-N 2 1 285.435 3.188 20 10 CGCDMP Cc1c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c2ccccc2n1C ZINC001236214177 819376685 /nfs/dbraw/zinc/37/66/85/819376685.db2.gz COFMSAWJWMMJKP-AEFFLSMTSA-N 2 1 285.435 3.188 20 10 CGCDMP CN(C)c1ccc(C[N@H+](C)Cc2cccc3c[nH+]cn32)cc1 ZINC001238105079 819935309 /nfs/dbraw/zinc/93/53/09/819935309.db2.gz BYGKAVGTFLSDAC-UHFFFAOYSA-N 2 1 294.402 3.032 20 10 CGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2cccc3c[nH+]cn32)cc1 ZINC001238105079 819935314 /nfs/dbraw/zinc/93/53/14/819935314.db2.gz BYGKAVGTFLSDAC-UHFFFAOYSA-N 2 1 294.402 3.032 20 10 CGCDMP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001334755142 936112239 /nfs/dbraw/zinc/11/22/39/936112239.db2.gz XMZPYZWJFUQCCX-UHFFFAOYSA-N 2 1 287.451 3.109 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000293687362 372450868 /nfs/dbraw/zinc/45/08/68/372450868.db2.gz KSZMWJWOJPWGKO-HZPDHXFCSA-N 2 1 290.451 3.392 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000185357981 374646703 /nfs/dbraw/zinc/64/67/03/374646703.db2.gz WHBODUXBWUDHCV-CVEARBPZSA-N 2 1 290.451 3.472 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200319 375131575 /nfs/dbraw/zinc/13/15/75/375131575.db2.gz ZXUNAAGWJWRSBP-WMLDXEAASA-N 2 1 299.462 3.307 20 10 CGCDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)ccc1O ZINC000273359565 378742106 /nfs/dbraw/zinc/74/21/06/378742106.db2.gz AFIGNDRMYYJCTE-GFCCVEGCSA-N 2 1 292.398 3.199 20 10 CGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185545317 327840651 /nfs/dbraw/zinc/84/06/51/327840651.db2.gz IPNYDZMHBBXEDM-AWEZNQCLSA-N 2 1 287.407 3.337 20 10 CGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423080333 330168940 /nfs/dbraw/zinc/16/89/40/330168940.db2.gz AALFUZKSUPBUDR-CYBMUJFWSA-N 2 1 294.402 3.145 20 10 CGCDMP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1C ZINC000299352732 524069180 /nfs/dbraw/zinc/06/91/80/524069180.db2.gz SCIPWLRYUCAKKB-UHFFFAOYSA-N 2 1 288.435 3.110 20 10 CGCDMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000035052730 620265699 /nfs/dbraw/zinc/26/56/99/620265699.db2.gz QJRPVDVFWYIFDT-MRXNPFEDSA-N 2 1 290.451 3.358 20 10 CGCDMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743958 620345719 /nfs/dbraw/zinc/34/57/19/620345719.db2.gz DMJUEDDIKCGPQP-VXGBXAGGSA-N 2 1 282.815 3.038 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743958 620345720 /nfs/dbraw/zinc/34/57/20/620345720.db2.gz DMJUEDDIKCGPQP-VXGBXAGGSA-N 2 1 282.815 3.038 20 10 CGCDMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])ccc1N(C)C ZINC000923426159 626152806 /nfs/dbraw/zinc/15/28/06/626152806.db2.gz NOJATZCIWADLDS-UHFFFAOYSA-N 2 1 277.456 3.012 20 10 CGCDMP CCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000773756978 627911011 /nfs/dbraw/zinc/91/10/11/627911011.db2.gz XYFBWJHFDJQQLW-QAPCUYQASA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000773756978 627911017 /nfs/dbraw/zinc/91/10/17/627911017.db2.gz XYFBWJHFDJQQLW-QAPCUYQASA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000773756978 627911022 /nfs/dbraw/zinc/91/10/22/627911022.db2.gz XYFBWJHFDJQQLW-QAPCUYQASA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000773756978 627911028 /nfs/dbraw/zinc/91/10/28/627911028.db2.gz XYFBWJHFDJQQLW-QAPCUYQASA-N 2 1 289.467 3.057 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000775504498 628101908 /nfs/dbraw/zinc/10/19/08/628101908.db2.gz ZCDRWZDOXLREAC-WFASDCNBSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830217 628140223 /nfs/dbraw/zinc/14/02/23/628140223.db2.gz FGLKBKSHYXOOOA-QAPCUYQASA-N 2 1 289.467 3.278 20 10 CGCDMP CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862348361 629346383 /nfs/dbraw/zinc/34/63/83/629346383.db2.gz KUZPYWJTUNYNTM-QGZVFWFLSA-N 2 1 289.467 3.235 20 10 CGCDMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000863540995 629601741 /nfs/dbraw/zinc/60/17/41/629601741.db2.gz FNBXCKSOWWCXPD-SJORKVTESA-N 2 1 287.451 3.078 20 10 CGCDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1O ZINC000817958136 632253488 /nfs/dbraw/zinc/25/34/88/632253488.db2.gz IGTOJEPLUZOMKZ-CVEARBPZSA-N 2 1 276.424 3.341 20 10 CGCDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978809 632269965 /nfs/dbraw/zinc/26/99/65/632269965.db2.gz DZJIFWBDWCNQBO-GOEBONIOSA-N 2 1 275.440 3.065 20 10 CGCDMP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)c2c1c(F)ccc2O ZINC000817982697 632273216 /nfs/dbraw/zinc/27/32/16/632273216.db2.gz VNDBBNLPMXUIKA-HONMWMINSA-N 2 1 292.398 3.187 20 10 CGCDMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1C ZINC000873015492 634232451 /nfs/dbraw/zinc/23/24/51/634232451.db2.gz MXIKSIYIESJMSF-KRWDZBQOSA-N 2 1 290.451 3.215 20 10 CGCDMP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cc1O ZINC000834909568 634284218 /nfs/dbraw/zinc/28/42/18/634284218.db2.gz SKLTZUCMLHDFPP-MRXNPFEDSA-N 2 1 294.414 3.446 20 10 CGCDMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1O ZINC000834909568 634284224 /nfs/dbraw/zinc/28/42/24/634284224.db2.gz SKLTZUCMLHDFPP-MRXNPFEDSA-N 2 1 294.414 3.446 20 10 CGCDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841744613 635222670 /nfs/dbraw/zinc/22/26/70/635222670.db2.gz JGMKXRJWXRLLHE-QWHCGFSZSA-N 2 1 296.842 3.428 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841744613 635222677 /nfs/dbraw/zinc/22/26/77/635222677.db2.gz JGMKXRJWXRLLHE-QWHCGFSZSA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)C2CCC([NH3+])CC2)c(Cl)c1 ZINC000843054878 635551555 /nfs/dbraw/zinc/55/15/55/635551555.db2.gz MBRMMEYFLQZXER-UHFFFAOYSA-N 2 1 282.815 3.056 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000248215282 640747687 /nfs/dbraw/zinc/74/76/87/640747687.db2.gz ZNSAIRQVKJEYQE-HZPDHXFCSA-N 2 1 289.467 3.135 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246920133 804601006 /nfs/dbraw/zinc/60/10/06/804601006.db2.gz JFMRFDFYNZMTBU-KRWDZBQOSA-N 2 1 289.467 3.105 20 10 CGCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205018378 812828104 /nfs/dbraw/zinc/82/81/04/812828104.db2.gz UEXAZHXNVGJKMY-CQSZACIVSA-N 2 1 290.451 3.121 20 10 CGCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001205288596 812931814 /nfs/dbraw/zinc/93/18/14/812931814.db2.gz LUPYAYYDDOWXDI-SFHVURJKSA-N 2 1 284.403 3.249 20 10 CGCDMP Cc1c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205814280 813091327 /nfs/dbraw/zinc/09/13/27/813091327.db2.gz BYCMBKQLHVRODL-UKRRQHHQSA-N 2 1 285.435 3.046 20 10 CGCDMP Cc1c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205814280 813091337 /nfs/dbraw/zinc/09/13/37/813091337.db2.gz BYCMBKQLHVRODL-UKRRQHHQSA-N 2 1 285.435 3.046 20 10 CGCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001205913895 813130569 /nfs/dbraw/zinc/13/05/69/813130569.db2.gz KLYXUCPOSNTVOB-UKRRQHHQSA-N 2 1 284.403 3.105 20 10 CGCDMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC[C@@H]1C[NH3+] ZINC001206021805 813169207 /nfs/dbraw/zinc/16/92/07/813169207.db2.gz BDGQDNVPWTTYJQ-RHSMWYFYSA-N 2 1 298.430 3.352 20 10 CGCDMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1N(C)C ZINC001206556782 813351300 /nfs/dbraw/zinc/35/13/00/813351300.db2.gz XEJRZVZUZFIWIO-SFHVURJKSA-N 2 1 289.467 3.012 20 10 CGCDMP Cc1cc(C)c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001235179762 819026031 /nfs/dbraw/zinc/02/60/31/819026031.db2.gz SIXSWZHHSHDVSC-SFHVURJKSA-N 2 1 288.435 3.117 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235841972 819183980 /nfs/dbraw/zinc/18/39/80/819183980.db2.gz KUDPXRGWNFWQKE-SFHVURJKSA-N 2 1 297.446 3.135 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976989 819255828 /nfs/dbraw/zinc/25/58/28/819255828.db2.gz DWEGXKXHOSOFDN-MJGOQNOKSA-N 2 1 295.430 3.017 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976989 819255834 /nfs/dbraw/zinc/25/58/34/819255834.db2.gz DWEGXKXHOSOFDN-MJGOQNOKSA-N 2 1 295.430 3.017 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC001236605921 819549963 /nfs/dbraw/zinc/54/99/63/819549963.db2.gz WYLINLVDEBHQEE-LJQANCHMSA-N 2 1 297.446 3.265 20 10 CGCDMP CCC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236844053 819620263 /nfs/dbraw/zinc/62/02/63/819620263.db2.gz SLMTZCJMYVCPQK-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1O ZINC001237056077 819654638 /nfs/dbraw/zinc/65/46/38/819654638.db2.gz GBZLQJDQLGDZQX-GOSISDBHSA-N 2 1 290.451 3.251 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC001331835094 935413604 /nfs/dbraw/zinc/41/36/04/935413604.db2.gz PRIOESUIAHGDTH-YUELXQCFSA-N 2 1 288.435 3.356 20 10 CGCDMP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001334753591 936112037 /nfs/dbraw/zinc/11/20/37/936112037.db2.gz HDVSWFGWRRYRLK-UHFFFAOYSA-N 2 1 287.451 3.109 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1O ZINC000124568443 370925929 /nfs/dbraw/zinc/92/59/29/370925929.db2.gz ZKPCEAXNLUIAGZ-XJKSGUPXSA-N 2 1 287.407 3.274 20 10 CGCDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000185358061 374646973 /nfs/dbraw/zinc/64/69/73/374646973.db2.gz AOGBEMOYYXGCTA-UONOGXRCSA-N 2 1 294.414 3.302 20 10 CGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000185358061 374646979 /nfs/dbraw/zinc/64/69/79/374646979.db2.gz AOGBEMOYYXGCTA-UONOGXRCSA-N 2 1 294.414 3.302 20 10 CGCDMP CN1CC[C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)[C@H]2C1 ZINC000272226328 378589737 /nfs/dbraw/zinc/58/97/37/378589737.db2.gz JFVRGMRDMYNWEH-QAPCUYQASA-N 2 1 296.414 3.071 20 10 CGCDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000286319108 380195530 /nfs/dbraw/zinc/19/55/30/380195530.db2.gz XNGVNUHWYSTCAO-CZUORRHYSA-N 2 1 294.414 3.304 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000286319108 380195535 /nfs/dbraw/zinc/19/55/35/380195535.db2.gz XNGVNUHWYSTCAO-CZUORRHYSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(C)cc1O ZINC000279964158 522855752 /nfs/dbraw/zinc/85/57/52/522855752.db2.gz CNXOAGDRQPUQBI-GOEBONIOSA-N 2 1 299.418 3.200 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277601169 524864042 /nfs/dbraw/zinc/86/40/42/524864042.db2.gz VPQAJSCYLHHAEL-HNNXBMFYSA-N 2 1 296.842 3.270 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277601169 524864050 /nfs/dbraw/zinc/86/40/50/524864050.db2.gz VPQAJSCYLHHAEL-HNNXBMFYSA-N 2 1 296.842 3.270 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756360073 626696508 /nfs/dbraw/zinc/69/65/08/626696508.db2.gz DDZOIXCWIZKQCM-RISCZKNCSA-N 2 1 292.398 3.154 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1C ZINC000756613709 626720498 /nfs/dbraw/zinc/72/04/98/626720498.db2.gz QICHMYRSJVMGRN-AEGPPILISA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1C ZINC000756613709 626720501 /nfs/dbraw/zinc/72/05/01/626720501.db2.gz QICHMYRSJVMGRN-AEGPPILISA-N 2 1 276.424 3.142 20 10 CGCDMP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1O ZINC000775497376 628101333 /nfs/dbraw/zinc/10/13/33/628101333.db2.gz PKTHCJKPCORURV-KRWDZBQOSA-N 2 1 288.435 3.450 20 10 CGCDMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830216 628140482 /nfs/dbraw/zinc/14/04/82/628140482.db2.gz FGLKBKSHYXOOOA-MAUKXSAKSA-N 2 1 289.467 3.278 20 10 CGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1O ZINC000808673112 630663343 /nfs/dbraw/zinc/66/33/43/630663343.db2.gz XSOPMCVBGQCNQE-LLVKDONJSA-N 2 1 282.815 3.099 20 10 CGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1O ZINC000817958919 632254525 /nfs/dbraw/zinc/25/45/25/632254525.db2.gz MSMMQPAKDXRJON-YPMHNXCESA-N 2 1 284.831 3.378 20 10 CGCDMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958967 632254728 /nfs/dbraw/zinc/25/47/28/632254728.db2.gz NVEINIRFRQHDAE-CRAIPNDOSA-N 2 1 289.467 3.311 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000817962523 632257972 /nfs/dbraw/zinc/25/79/72/632257972.db2.gz JNWNHIIRVRYFCZ-DOTOQJQBSA-N 2 1 277.456 3.311 20 10 CGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1O ZINC000817984077 632272520 /nfs/dbraw/zinc/27/25/20/632272520.db2.gz MNVKJJSLCFYJSR-YPMHNXCESA-N 2 1 282.815 3.147 20 10 CGCDMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1O ZINC000817986861 632275977 /nfs/dbraw/zinc/27/59/77/632275977.db2.gz VAHVFFJBCYIZCK-DZGCQCFKSA-N 2 1 292.398 3.247 20 10 CGCDMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(O)c1 ZINC000876933244 634930432 /nfs/dbraw/zinc/93/04/32/634930432.db2.gz JWARBAJNTIVRAD-MRXNPFEDSA-N 2 1 290.451 3.302 20 10 CGCDMP COc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)cc1C ZINC000841041075 635112069 /nfs/dbraw/zinc/11/20/69/635112069.db2.gz BVRFVZFYNSGHLO-UHFFFAOYSA-N 2 1 276.424 3.145 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1O ZINC000843056435 635553155 /nfs/dbraw/zinc/55/31/55/635553155.db2.gz JUOVRTRRIUXMDJ-CQSZACIVSA-N 2 1 284.831 3.159 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127847 635562283 /nfs/dbraw/zinc/56/22/83/635562283.db2.gz JFOCULCICMWARS-AWEZNQCLSA-N 2 1 294.826 3.118 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1O ZINC000846178436 636153481 /nfs/dbraw/zinc/15/34/81/636153481.db2.gz VIMWDHHODKRPKW-CQSZACIVSA-N 2 1 264.413 3.021 20 10 CGCDMP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886522534 637551564 /nfs/dbraw/zinc/55/15/64/637551564.db2.gz LSRWGPDRGUFEHG-ZDUSSCGKSA-N 2 1 294.414 3.304 20 10 CGCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(O)ccc2ccccc21 ZINC001235716759 819150354 /nfs/dbraw/zinc/15/03/54/819150354.db2.gz KBEIWZLBTWIRSD-UHFFFAOYSA-N 2 1 298.430 3.367 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(O)c1 ZINC001236219220 819386143 /nfs/dbraw/zinc/38/61/43/819386143.db2.gz USHJFGABQXOEIQ-JKSUJKDBSA-N 2 1 276.424 3.217 20 10 CGCDMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC001326473699 934982385 /nfs/dbraw/zinc/98/23/85/934982385.db2.gz NVKQAWVPAPCHRG-BDAKNGLRSA-N 2 1 291.222 3.348 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(C)cc1O ZINC000279964160 522620575 /nfs/dbraw/zinc/62/05/75/522620575.db2.gz CNXOAGDRQPUQBI-HOCLYGCPSA-N 2 1 299.418 3.200 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1O ZINC000157597055 522757708 /nfs/dbraw/zinc/75/77/08/522757708.db2.gz MRQNQKGSIPYRBT-LZWOXQAQSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C)cc1O ZINC000280079194 522832880 /nfs/dbraw/zinc/83/28/80/522832880.db2.gz LQLJZNIMZUZQPV-MRXNPFEDSA-N 2 1 287.407 3.337 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277601171 524862499 /nfs/dbraw/zinc/86/24/99/524862499.db2.gz VPQAJSCYLHHAEL-OAHLLOKOSA-N 2 1 296.842 3.270 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277601171 524862508 /nfs/dbraw/zinc/86/25/08/524862508.db2.gz VPQAJSCYLHHAEL-OAHLLOKOSA-N 2 1 296.842 3.270 20 10 CGCDMP Cc1cc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000840887753 618897842 /nfs/dbraw/zinc/89/78/42/618897842.db2.gz OORMTBNCFWRPLR-ZDUSSCGKSA-N 2 1 296.842 3.174 20 10 CGCDMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841743886 620344690 /nfs/dbraw/zinc/34/46/90/620344690.db2.gz KPKZZVGUCZDXES-GFCCVEGCSA-N 2 1 284.831 3.428 20 10 CGCDMP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841747579 620353456 /nfs/dbraw/zinc/35/34/56/620353456.db2.gz RHROQBIUSWWXLM-LBPRGKRZSA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000840808330 626179701 /nfs/dbraw/zinc/17/97/01/626179701.db2.gz BEXRVSDOTIQAGC-GJZGRUSLSA-N 2 1 276.424 3.083 20 10 CGCDMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000839182923 626327094 /nfs/dbraw/zinc/32/70/94/626327094.db2.gz RTXWYXSZOYBTMU-ZBFHGGJFSA-N 2 1 276.424 3.165 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(O)c1C ZINC000756554043 626714697 /nfs/dbraw/zinc/71/46/97/626714697.db2.gz NQYLRSHTKCWGTA-GJZGRUSLSA-N 2 1 276.424 3.001 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000808692896 630665010 /nfs/dbraw/zinc/66/50/10/630665010.db2.gz BCIHVUWSCIWCGU-STQMWFEESA-N 2 1 296.842 3.346 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1 ZINC000815583742 631800192 /nfs/dbraw/zinc/80/01/92/631800192.db2.gz NIMXLNGWNRWWLK-SOUVJXGZSA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000815583742 631800195 /nfs/dbraw/zinc/80/01/95/631800195.db2.gz NIMXLNGWNRWWLK-SOUVJXGZSA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817895047 632230176 /nfs/dbraw/zinc/23/01/76/632230176.db2.gz TVPNLHIAZXNSJB-RTBURBONSA-N 2 1 295.430 3.295 20 10 CGCDMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958176 632253767 /nfs/dbraw/zinc/25/37/67/632253767.db2.gz IMYVHLFOJMTCJF-DOTOQJQBSA-N 2 1 277.456 3.167 20 10 CGCDMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(F)cc1O ZINC000817959360 632254849 /nfs/dbraw/zinc/25/48/49/632254849.db2.gz CBCQQEVRUJXQKO-CYBMUJFWSA-N 2 1 268.376 3.090 20 10 CGCDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960596 632256703 /nfs/dbraw/zinc/25/67/03/632256703.db2.gz OAPNFNNBXFGDMZ-RDTXWAMCSA-N 2 1 287.451 3.065 20 10 CGCDMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965212 632260367 /nfs/dbraw/zinc/26/03/67/632260367.db2.gz NVJFXLNQSNBONB-KSSFIOAISA-N 2 1 287.451 3.065 20 10 CGCDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)ccc1O ZINC000834908185 634283140 /nfs/dbraw/zinc/28/31/40/634283140.db2.gz HVUVKVXFCFCZPJ-GFCCVEGCSA-N 2 1 280.387 3.056 20 10 CGCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000873231609 634293693 /nfs/dbraw/zinc/29/36/93/634293693.db2.gz SEACLSNXBIVMTC-HJWRWDBZSA-N 2 1 289.467 3.217 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC000840913506 635081640 /nfs/dbraw/zinc/08/16/40/635081640.db2.gz GNZKNYZQPWGQND-UHFFFAOYSA-N 2 1 296.842 3.128 20 10 CGCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000877741748 635177099 /nfs/dbraw/zinc/17/70/99/635177099.db2.gz NKCFBYCCTAGMLZ-MAUKXSAKSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000877741748 635177102 /nfs/dbraw/zinc/17/71/02/635177102.db2.gz NKCFBYCCTAGMLZ-MAUKXSAKSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000877741748 635177103 /nfs/dbraw/zinc/17/71/03/635177103.db2.gz NKCFBYCCTAGMLZ-MAUKXSAKSA-N 2 1 296.414 3.071 20 10 CGCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048833 635549353 /nfs/dbraw/zinc/54/93/53/635549353.db2.gz ZQSRJMLMANXCHD-KRWDZBQOSA-N 2 1 289.467 3.094 20 10 CGCDMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1c(O)cccc1F ZINC000886628677 637618585 /nfs/dbraw/zinc/61/85/85/637618585.db2.gz YTZSULFICQBBRM-PNESKVBLSA-N 2 1 280.387 3.055 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490723 638741285 /nfs/dbraw/zinc/74/12/85/638741285.db2.gz MOJOMINCHYBOAR-HZPDHXFCSA-N 2 1 289.467 3.135 20 10 CGCDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(F)ccc1O ZINC000094616651 640798613 /nfs/dbraw/zinc/79/86/13/640798613.db2.gz KWYQYNOYJLUUFM-KGLIPLIRSA-N 2 1 294.414 3.446 20 10 CGCDMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(O)cccc2F)CC1 ZINC001137837616 803781163 /nfs/dbraw/zinc/78/11/63/803781163.db2.gz NVJBYXIIPHRLKK-UHFFFAOYSA-N 2 1 294.414 3.084 20 10 CGCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(O)cccc2F)CC1 ZINC001137837616 803781171 /nfs/dbraw/zinc/78/11/71/803781171.db2.gz NVJBYXIIPHRLKK-UHFFFAOYSA-N 2 1 294.414 3.084 20 10 CGCDMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(F)c2O)CC1 ZINC001138127887 803864534 /nfs/dbraw/zinc/86/45/34/803864534.db2.gz UMIPQQKHTZXVCK-UHFFFAOYSA-N 2 1 294.414 3.084 20 10 CGCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(F)c2O)CC1 ZINC001138127887 803864545 /nfs/dbraw/zinc/86/45/45/803864545.db2.gz UMIPQQKHTZXVCK-UHFFFAOYSA-N 2 1 294.414 3.084 20 10 CGCDMP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)c1O ZINC001204938143 812786219 /nfs/dbraw/zinc/78/62/19/812786219.db2.gz JKMOIMMGCZOHPR-KRWDZBQOSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](C)([NH3+])C2)c1O ZINC001204938143 812786222 /nfs/dbraw/zinc/78/62/22/812786222.db2.gz JKMOIMMGCZOHPR-KRWDZBQOSA-N 2 1 276.424 3.003 20 10 CGCDMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205325196 812956546 /nfs/dbraw/zinc/95/65/46/812956546.db2.gz LOCPBSYQTICPCS-OAHLLOKOSA-N 2 1 297.446 3.090 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Cl ZINC001205637728 813036556 /nfs/dbraw/zinc/03/65/56/813036556.db2.gz IIFZHFUUNDRVQE-AAEUAGOBSA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001205913928 813130825 /nfs/dbraw/zinc/13/08/25/813130825.db2.gz KQSFGPDQEAOPND-ZIAGYGMSSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001206767899 813431079 /nfs/dbraw/zinc/43/10/79/813431079.db2.gz FYQDZIMFEUETTI-UONOGXRCSA-N 2 1 290.451 3.249 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222353460 816418021 /nfs/dbraw/zinc/41/80/21/816418021.db2.gz BKXQLMGURADALO-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222353460 816418024 /nfs/dbraw/zinc/41/80/24/816418024.db2.gz BKXQLMGURADALO-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892262 819201351 /nfs/dbraw/zinc/20/13/51/819201351.db2.gz OECGTSUYBSOHMD-GDBMZVCRSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892262 819201358 /nfs/dbraw/zinc/20/13/58/819201358.db2.gz OECGTSUYBSOHMD-GDBMZVCRSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053037 819289384 /nfs/dbraw/zinc/28/93/84/819289384.db2.gz XREMCKAVXGODRW-PBHICJAKSA-N 2 1 296.414 3.228 20 10 CGCDMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053037 819289389 /nfs/dbraw/zinc/28/93/89/819289389.db2.gz XREMCKAVXGODRW-PBHICJAKSA-N 2 1 296.414 3.228 20 10 CGCDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCC[NH2+]1 ZINC001236094744 819314238 /nfs/dbraw/zinc/31/42/38/819314238.db2.gz ILGCRYIHNWIVHK-HNNXBMFYSA-N 2 1 297.446 3.090 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CCCC[NH3+])cc1 ZINC001236141028 819341414 /nfs/dbraw/zinc/34/14/14/819341414.db2.gz CYVSYVZCGMLNJF-UHFFFAOYSA-N 2 1 285.435 3.265 20 10 CGCDMP CC[N@@H+](CCCCCC[NH3+])Cc1ccc(N(C)C)cc1 ZINC001236280551 819411908 /nfs/dbraw/zinc/41/19/08/819411908.db2.gz WDSUWDUIBDCQHQ-UHFFFAOYSA-N 2 1 277.456 3.094 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000217659015 928158104 /nfs/dbraw/zinc/15/81/04/928158104.db2.gz VZSSWQBMEICTLX-XHSDSOJGSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000217659015 928158111 /nfs/dbraw/zinc/15/81/11/928158111.db2.gz VZSSWQBMEICTLX-XHSDSOJGSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC001323828879 934429448 /nfs/dbraw/zinc/42/94/48/934429448.db2.gz CPYQLDVLVRZKMT-HUUCEWRRSA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001474211044 937844305 /nfs/dbraw/zinc/84/43/05/937844305.db2.gz KGQPCBQZRCALGE-MRXNPFEDSA-N 2 1 299.462 3.308 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC001579638137 962649177 /nfs/dbraw/zinc/64/91/77/962649177.db2.gz SJIGKFYNXVIHSY-CQSZACIVSA-N 2 1 284.831 3.159 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1O ZINC000363858960 382259610 /nfs/dbraw/zinc/25/96/10/382259610.db2.gz RWLRCNPBKKELEX-IACUBPJLSA-N 2 1 294.826 3.323 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1O ZINC000184997349 262036876 /nfs/dbraw/zinc/03/68/76/262036876.db2.gz AUZQETQTTFSGKQ-RYUDHWBXSA-N 2 1 294.826 3.181 20 10 CGCDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295807372 274285378 /nfs/dbraw/zinc/28/53/78/274285378.db2.gz CLTYDFHULFAOOC-GDBMZVCRSA-N 2 1 288.435 3.234 20 10 CGCDMP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185563766 327841008 /nfs/dbraw/zinc/84/10/08/327841008.db2.gz YUHADRSETYTTPX-CYBMUJFWSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(N(C)C)cc1 ZINC000163264783 620210452 /nfs/dbraw/zinc/21/04/52/620210452.db2.gz CBBSQMSMCWQQHP-QAPCUYQASA-N 2 1 289.467 3.135 20 10 CGCDMP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1O)[NH+]1CCCCC1 ZINC000186545651 626017306 /nfs/dbraw/zinc/01/73/06/626017306.db2.gz OPWTWRZCLPYGJE-KGLIPLIRSA-N 2 1 294.414 3.446 20 10 CGCDMP CCC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1O ZINC000781898467 628603597 /nfs/dbraw/zinc/60/35/97/628603597.db2.gz LLWCDIXGYDKQNZ-UHFFFAOYSA-N 2 1 290.451 3.480 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000863540889 629601333 /nfs/dbraw/zinc/60/13/33/629601333.db2.gz FNBXCKSOWWCXPD-DLBZAZTESA-N 2 1 287.451 3.078 20 10 CGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000808692892 630665048 /nfs/dbraw/zinc/66/50/48/630665048.db2.gz BCIHVUWSCIWCGU-OLZOCXBDSA-N 2 1 296.842 3.346 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000817958149 632253567 /nfs/dbraw/zinc/25/35/67/632253567.db2.gz IKKJUZXBCMABOP-GOEBONIOSA-N 2 1 277.456 3.167 20 10 CGCDMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1O)CC[NH2+]CC2 ZINC000818431991 632317893 /nfs/dbraw/zinc/31/78/93/632317893.db2.gz ZUQNBEITDYEYTA-LBPRGKRZSA-N 2 1 294.826 3.010 20 10 CGCDMP C[N@@H+](CCCC[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000835063388 634343608 /nfs/dbraw/zinc/34/36/08/634343608.db2.gz XUNUGGPQTQKFMN-UHFFFAOYSA-N 2 1 282.815 3.010 20 10 CGCDMP Cc1cccc(O)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876933249 634930576 /nfs/dbraw/zinc/93/05/76/634930576.db2.gz JZEPCLYZODHLJM-OAHLLOKOSA-N 2 1 290.451 3.302 20 10 CGCDMP CCCC[N@H+](Cc1ccccc1O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841020556 635108399 /nfs/dbraw/zinc/10/83/99/635108399.db2.gz YRLBCTOTXTVSHA-HOTGVXAUSA-N 2 1 290.451 3.382 20 10 CGCDMP CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccccc1O ZINC000845995298 636127832 /nfs/dbraw/zinc/12/78/32/636127832.db2.gz BRBMJXFWCUNTAS-INIZCTEOSA-N 2 1 278.440 3.411 20 10 CGCDMP CCc1cccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1O ZINC000848888209 636676062 /nfs/dbraw/zinc/67/60/62/636676062.db2.gz OWIPVJCZKUIRDB-HNNXBMFYSA-N 2 1 290.451 3.118 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000858491661 638743152 /nfs/dbraw/zinc/74/31/52/638743152.db2.gz MTIKUDJLTKDUFD-QWHCGFSZSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000858491661 638743155 /nfs/dbraw/zinc/74/31/55/638743155.db2.gz MTIKUDJLTKDUFD-QWHCGFSZSA-N 2 1 296.842 3.428 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1O ZINC000700817663 799880098 /nfs/dbraw/zinc/88/00/98/799880098.db2.gz DWBIOAATVKASTB-ZBFHGGJFSA-N 2 1 276.424 3.165 20 10 CGCDMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001255973367 806804670 /nfs/dbraw/zinc/80/46/70/806804670.db2.gz ZCIAABNWHNJBDD-MRXNPFEDSA-N 2 1 291.483 3.305 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1O ZINC001205280633 812929219 /nfs/dbraw/zinc/92/92/19/812929219.db2.gz DVBJOLXYUYVMKE-GOSISDBHSA-N 2 1 290.451 3.393 20 10 CGCDMP CCCC[N@@H+](CC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253106 804169949 /nfs/dbraw/zinc/16/99/49/804169949.db2.gz LYVMLWUZBIMNNM-UHFFFAOYSA-N 2 1 294.439 3.084 20 10 CGCDMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC001169107182 807577944 /nfs/dbraw/zinc/57/79/44/807577944.db2.gz FUZOZNOMSOANAN-QXRTWZOPSA-N 2 1 287.451 3.028 20 10 CGCDMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001170113555 807761546 /nfs/dbraw/zinc/76/15/46/807761546.db2.gz RFMZIGVCAQWPRO-PBHICJAKSA-N 2 1 288.435 3.135 20 10 CGCDMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1O ZINC001172105108 808174472 /nfs/dbraw/zinc/17/44/72/808174472.db2.gz GUNGJEUHPCLYJF-TUVASFSCSA-N 2 1 274.408 3.058 20 10 CGCDMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1O ZINC001172105108 808174479 /nfs/dbraw/zinc/17/44/79/808174479.db2.gz GUNGJEUHPCLYJF-TUVASFSCSA-N 2 1 274.408 3.058 20 10 CGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(C)cc1O ZINC001276372229 809005993 /nfs/dbraw/zinc/00/59/93/809005993.db2.gz KKWRNIQGFAUTTA-AGUYFDCRSA-N 2 1 294.826 3.069 20 10 CGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(C)cc1O ZINC001276372229 809006001 /nfs/dbraw/zinc/00/60/01/809006001.db2.gz KKWRNIQGFAUTTA-AGUYFDCRSA-N 2 1 294.826 3.069 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001203936816 812497454 /nfs/dbraw/zinc/49/74/54/812497454.db2.gz ODSUTOFOKQSENW-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001203936816 812497456 /nfs/dbraw/zinc/49/74/56/812497456.db2.gz ODSUTOFOKQSENW-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001205075755 812850335 /nfs/dbraw/zinc/85/03/35/812850335.db2.gz LQMBHDWXLXTGBZ-JSGCOSHPSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001205075755 812850344 /nfs/dbraw/zinc/85/03/44/812850344.db2.gz LQMBHDWXLXTGBZ-JSGCOSHPSA-N 2 1 276.424 3.001 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205263600 812920708 /nfs/dbraw/zinc/92/07/08/812920708.db2.gz AEQHTDIXKVVJNC-SFHVURJKSA-N 2 1 289.467 3.236 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(O)c1 ZINC001205287897 812931989 /nfs/dbraw/zinc/93/19/89/812931989.db2.gz CUAKOZZVWZIOGB-SFHVURJKSA-N 2 1 290.451 3.393 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222253806 816388244 /nfs/dbraw/zinc/38/82/44/816388244.db2.gz SOKOOZQWGMITSA-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP CC[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C1CC[NH2+]CC1 ZINC001235760629 819161806 /nfs/dbraw/zinc/16/18/06/819161806.db2.gz GOYZPZRPUZLEGW-UHFFFAOYSA-N 2 1 290.451 3.264 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976990 819257286 /nfs/dbraw/zinc/25/72/86/819257286.db2.gz DWEGXKXHOSOFDN-PKOBYXMFSA-N 2 1 295.430 3.017 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976990 819257289 /nfs/dbraw/zinc/25/72/89/819257289.db2.gz DWEGXKXHOSOFDN-PKOBYXMFSA-N 2 1 295.430 3.017 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(O)c1 ZINC001236219217 819386790 /nfs/dbraw/zinc/38/67/90/819386790.db2.gz USHJFGABQXOEIQ-CVEARBPZSA-N 2 1 276.424 3.217 20 10 CGCDMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420486 819466954 /nfs/dbraw/zinc/46/69/54/819466954.db2.gz MTYHFOHBERDWCP-RDTXWAMCSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420486 819466955 /nfs/dbraw/zinc/46/69/55/819466955.db2.gz MTYHFOHBERDWCP-RDTXWAMCSA-N 2 1 297.446 3.217 20 10 CGCDMP [O-]c1cc(Cl)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599050 819548621 /nfs/dbraw/zinc/54/86/21/819548621.db2.gz OSYYUZVDKFQJSO-LBPRGKRZSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1cc(Cl)ccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599050 819548623 /nfs/dbraw/zinc/54/86/23/819548623.db2.gz OSYYUZVDKFQJSO-LBPRGKRZSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1cc(Cl)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599050 819548628 /nfs/dbraw/zinc/54/86/28/819548628.db2.gz OSYYUZVDKFQJSO-LBPRGKRZSA-N 2 1 294.826 3.010 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237080731 819662179 /nfs/dbraw/zinc/66/21/79/819662179.db2.gz IIONAYZAEULOLN-GOSISDBHSA-N 2 1 290.451 3.251 20 10 CGCDMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC001348852826 936936463 /nfs/dbraw/zinc/93/64/63/936936463.db2.gz PVMZPEWSTLHGHW-DTWKUNHWSA-N 2 1 291.222 3.205 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001321023102 934136079 /nfs/dbraw/zinc/13/60/79/934136079.db2.gz KLOTVBJOKVTLIA-HIFRSBDPSA-N 2 1 299.418 3.434 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC001323828877 934429538 /nfs/dbraw/zinc/42/95/38/934429538.db2.gz CPYQLDVLVRZKMT-CABCVRRESA-N 2 1 276.424 3.083 20 10 CGCDMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC001326473700 934981967 /nfs/dbraw/zinc/98/19/67/934981967.db2.gz NVKQAWVPAPCHRG-DTWKUNHWSA-N 2 1 291.222 3.348 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC001331835090 935413302 /nfs/dbraw/zinc/41/33/02/935413302.db2.gz PRIOESUIAHGDTH-BPLDGKMQSA-N 2 1 288.435 3.356 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CCCN2CCC[C@H]2C1 ZINC000317062585 374337896 /nfs/dbraw/zinc/33/78/96/374337896.db2.gz MAPQHGZTDQVWKQ-INIZCTEOSA-N 2 1 296.414 3.216 20 10 CGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000185358702 374647136 /nfs/dbraw/zinc/64/71/36/374647136.db2.gz YJFCMJSSNFJQDC-KBPBESRZSA-N 2 1 294.414 3.302 20 10 CGCDMP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1O ZINC000530217399 375939836 /nfs/dbraw/zinc/93/98/36/375939836.db2.gz SSRXUGDRSOVMIE-DYVFJYSZSA-N 2 1 296.414 3.481 20 10 CGCDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273620513 378757386 /nfs/dbraw/zinc/75/73/86/378757386.db2.gz YUJQZAXYBZIWNB-ZDUSSCGKSA-N 2 1 299.418 3.127 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000362238461 381915737 /nfs/dbraw/zinc/91/57/37/381915737.db2.gz QQKDKPZWUZRKID-CABCVRRESA-N 2 1 294.826 3.070 20 10 CGCDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1O ZINC000185650765 262064416 /nfs/dbraw/zinc/06/44/16/262064416.db2.gz DCMNNAQYWWXELE-XBFCOCLRSA-N 2 1 280.387 3.055 20 10 CGCDMP [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271138247 328195282 /nfs/dbraw/zinc/19/52/82/328195282.db2.gz VCXNQGOTMSONFL-LLVKDONJSA-N 2 1 291.782 3.148 20 10 CGCDMP [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271138247 328195284 /nfs/dbraw/zinc/19/52/84/328195284.db2.gz VCXNQGOTMSONFL-LLVKDONJSA-N 2 1 291.782 3.148 20 10 CGCDMP Cc1cccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1C ZINC000841041265 620521522 /nfs/dbraw/zinc/52/15/22/620521522.db2.gz ZDXZRLINFABWNX-LJQANCHMSA-N 2 1 297.446 3.159 20 10 CGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164423061 622834458 /nfs/dbraw/zinc/83/44/58/622834458.db2.gz DHZBOCXULFSBAD-MRXNPFEDSA-N 2 1 290.451 3.173 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756430765 626705823 /nfs/dbraw/zinc/70/58/23/626705823.db2.gz KZQLGQMQKNSWMK-YRGRVCCFSA-N 2 1 292.398 3.011 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470735 627557547 /nfs/dbraw/zinc/55/75/47/627557547.db2.gz OIFZAEJYEJVRKX-HOCLYGCPSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470735 627557548 /nfs/dbraw/zinc/55/75/48/627557548.db2.gz OIFZAEJYEJVRKX-HOCLYGCPSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470735 627557550 /nfs/dbraw/zinc/55/75/50/627557550.db2.gz OIFZAEJYEJVRKX-HOCLYGCPSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1O ZINC000775532478 628103970 /nfs/dbraw/zinc/10/39/70/628103970.db2.gz VQXBTJXKPMDCIO-HNNXBMFYSA-N 2 1 294.826 3.348 20 10 CGCDMP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(F)cc1O ZINC000796676160 629814022 /nfs/dbraw/zinc/81/40/22/629814022.db2.gz DPBMSVIHFJLHQB-OAHLLOKOSA-N 2 1 282.403 3.302 20 10 CGCDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(F)cc1O ZINC000796676160 629814027 /nfs/dbraw/zinc/81/40/27/629814027.db2.gz DPBMSVIHFJLHQB-OAHLLOKOSA-N 2 1 282.403 3.302 20 10 CGCDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000797114079 629890094 /nfs/dbraw/zinc/89/00/94/629890094.db2.gz NYFLQIUJEPXMIG-QAPCUYQASA-N 2 1 289.467 3.278 20 10 CGCDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000797114079 629890097 /nfs/dbraw/zinc/89/00/97/629890097.db2.gz NYFLQIUJEPXMIG-QAPCUYQASA-N 2 1 289.467 3.278 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808678791 630663908 /nfs/dbraw/zinc/66/39/08/630663908.db2.gz WASUQIGSYXZADV-QWHCGFSZSA-N 2 1 296.842 3.346 20 10 CGCDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816592061 632019120 /nfs/dbraw/zinc/01/91/20/632019120.db2.gz WWFBUXUDVQFVSR-KRWDZBQOSA-N 2 1 298.430 3.462 20 10 CGCDMP C[C@@H]1CC2(C[N@H+]1Cc1c(O)cccc1Cl)CC[NH2+]CC2 ZINC000818431746 632318064 /nfs/dbraw/zinc/31/80/64/632318064.db2.gz SMMULGKWESLUQA-GFCCVEGCSA-N 2 1 294.826 3.010 20 10 CGCDMP CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1O ZINC000873238682 634296538 /nfs/dbraw/zinc/29/65/38/634296538.db2.gz FBEPDGOCKOJIAY-UXIGCNINSA-N 2 1 280.387 3.090 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1O ZINC000873238683 634297239 /nfs/dbraw/zinc/29/72/39/634297239.db2.gz FBEPDGOCKOJIAY-WHOFXGATSA-N 2 1 280.387 3.090 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761189 634894187 /nfs/dbraw/zinc/89/41/87/634894187.db2.gz ZSLXKSYYEGXGCP-HOCLYGCPSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761189 634894192 /nfs/dbraw/zinc/89/41/92/634894192.db2.gz ZSLXKSYYEGXGCP-HOCLYGCPSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761189 634894195 /nfs/dbraw/zinc/89/41/95/634894195.db2.gz ZSLXKSYYEGXGCP-HOCLYGCPSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1cccc(O)c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000876897795 634923734 /nfs/dbraw/zinc/92/37/34/634923734.db2.gz XJMCGTOOUJMDGL-OAHLLOKOSA-N 2 1 276.424 3.055 20 10 CGCDMP [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841086376 635120037 /nfs/dbraw/zinc/12/00/37/635120037.db2.gz INYJUBPCDMMFFV-WFASDCNBSA-N 2 1 294.826 3.010 20 10 CGCDMP CCc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000848888602 636676308 /nfs/dbraw/zinc/67/63/08/636676308.db2.gz XLABKCCHPMIBLD-QGZVFWFLSA-N 2 1 290.451 3.261 20 10 CGCDMP CCc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000848888602 636676310 /nfs/dbraw/zinc/67/63/10/636676310.db2.gz XLABKCCHPMIBLD-QGZVFWFLSA-N 2 1 290.451 3.261 20 10 CGCDMP CCc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000848888602 636676313 /nfs/dbraw/zinc/67/63/13/636676313.db2.gz XLABKCCHPMIBLD-QGZVFWFLSA-N 2 1 290.451 3.261 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1O ZINC000858490696 638741353 /nfs/dbraw/zinc/74/13/53/638741353.db2.gz LZCJEDZTJXUVKE-CJNGLKHVSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000858490696 638741358 /nfs/dbraw/zinc/74/13/58/638741358.db2.gz LZCJEDZTJXUVKE-CJNGLKHVSA-N 2 1 294.414 3.304 20 10 CGCDMP CN(C)c1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000381850689 799388829 /nfs/dbraw/zinc/38/88/29/799388829.db2.gz XLHRWNVYWVVJSF-UHFFFAOYSA-N 2 1 297.446 3.104 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000393376139 799486330 /nfs/dbraw/zinc/48/63/30/799486330.db2.gz GWBZSFDYGZTHSV-UHFFFAOYSA-N 2 1 299.462 3.003 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(O)c1 ZINC001206810532 813443916 /nfs/dbraw/zinc/44/39/16/813443916.db2.gz NQGPGNGNSZFWGC-ZIAGYGMSSA-N 2 1 276.424 3.075 20 10 CGCDMP Cc1c(C[N@@H+](C)CC2CC[NH+](C)CC2)c2ccccc2n1C ZINC001138256897 803882454 /nfs/dbraw/zinc/88/24/54/803882454.db2.gz OPSLFOJONMCYKM-UHFFFAOYSA-N 2 1 299.462 3.260 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204937562 812785527 /nfs/dbraw/zinc/78/55/27/812785527.db2.gz DWJDBADJONUQNF-LJQANCHMSA-N 2 1 297.446 3.407 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204937562 812785529 /nfs/dbraw/zinc/78/55/29/812785529.db2.gz DWJDBADJONUQNF-LJQANCHMSA-N 2 1 297.446 3.407 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831201 813102027 /nfs/dbraw/zinc/10/20/27/813102027.db2.gz WUMKLOWILQRCPT-ZFWWWQNUSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831201 813102029 /nfs/dbraw/zinc/10/20/29/813102029.db2.gz WUMKLOWILQRCPT-ZFWWWQNUSA-N 2 1 290.451 3.249 20 10 CGCDMP C[N@H+](Cc1c(O)ccc2ccccc21)[C@]1(C)CCC[NH2+]C1 ZINC001236207687 819370379 /nfs/dbraw/zinc/37/03/79/819370379.db2.gz RGTKFGFMLCCMGL-GOSISDBHSA-N 2 1 284.403 3.119 20 10 CGCDMP C[N@@H+](Cc1c(O)ccc2ccccc21)[C@]1(C)CCC[NH2+]C1 ZINC001236207687 819370383 /nfs/dbraw/zinc/37/03/83/819370383.db2.gz RGTKFGFMLCCMGL-GOSISDBHSA-N 2 1 284.403 3.119 20 10 CGCDMP C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219648 819386934 /nfs/dbraw/zinc/38/69/34/819386934.db2.gz XCVBUINXDAVXFY-JKSUJKDBSA-N 2 1 290.451 3.391 20 10 CGCDMP CC[N@H+](Cc1cc(C(C)(C)C)ccc1O)C[C@H]1CC[NH2+]C1 ZINC001236408846 819456262 /nfs/dbraw/zinc/45/62/62/819456262.db2.gz PBNXXIADDJKLRW-AWEZNQCLSA-N 2 1 290.451 3.121 20 10 CGCDMP CC[N@H+](Cc1ccccc1O)Cc1cccc2c[nH+]cn21 ZINC001238110502 819935942 /nfs/dbraw/zinc/93/59/42/819935942.db2.gz OLSOEJKWNYKAPK-UHFFFAOYSA-N 2 1 281.359 3.062 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC001324514629 934517915 /nfs/dbraw/zinc/51/79/15/934517915.db2.gz UYFLJFRWXOREOA-HOTGVXAUSA-N 2 1 290.451 3.392 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N(C)C)cc1C ZINC001474504011 937863791 /nfs/dbraw/zinc/86/37/91/937863791.db2.gz YQBFMKKQEFNHAS-UHFFFAOYSA-N 2 1 291.483 3.225 20 10 CGCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2ccccc2c1O ZINC000273534388 378752953 /nfs/dbraw/zinc/75/29/53/378752953.db2.gz WZCXULGNYIILBD-CQSZACIVSA-N 2 1 296.414 3.458 20 10 CGCDMP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1O ZINC000158078972 392554471 /nfs/dbraw/zinc/55/44/71/392554471.db2.gz HLYILNJJYWIZNY-HNNXBMFYSA-N 2 1 276.424 3.055 20 10 CGCDMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1O ZINC000183315684 327819096 /nfs/dbraw/zinc/81/90/96/327819096.db2.gz WUGHAQMRAZATMD-MRXNPFEDSA-N 2 1 287.407 3.418 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1O ZINC000530214148 333528157 /nfs/dbraw/zinc/52/81/57/333528157.db2.gz BHMPCOXLPOFAMJ-HOCLYGCPSA-N 2 1 274.408 3.026 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1O ZINC000530214147 333528207 /nfs/dbraw/zinc/52/82/07/333528207.db2.gz BHMPCOXLPOFAMJ-GOEBONIOSA-N 2 1 274.408 3.026 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C(C)C ZINC000738225076 572366574 /nfs/dbraw/zinc/36/65/74/572366574.db2.gz QZAHCKZSDYOYBS-HNNXBMFYSA-N 2 1 290.451 3.208 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000093660003 619208356 /nfs/dbraw/zinc/20/83/56/619208356.db2.gz ROYBMFMLYFYWHX-QGZVFWFLSA-N 2 1 290.451 3.315 20 10 CGCDMP Cc1cc(O)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000093660003 619208360 /nfs/dbraw/zinc/20/83/60/619208360.db2.gz ROYBMFMLYFYWHX-QGZVFWFLSA-N 2 1 290.451 3.315 20 10 CGCDMP Cc1cc(O)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000093660003 619208366 /nfs/dbraw/zinc/20/83/66/619208366.db2.gz ROYBMFMLYFYWHX-QGZVFWFLSA-N 2 1 290.451 3.315 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923336553 626147147 /nfs/dbraw/zinc/14/71/47/626147147.db2.gz UQEUEAYJHJKTLK-QGZVFWFLSA-N 2 1 289.467 3.025 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756360062 626696165 /nfs/dbraw/zinc/69/61/65/626696165.db2.gz DDZOIXCWIZKQCM-BXUZGUMPSA-N 2 1 292.398 3.154 20 10 CGCDMP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1O ZINC000775497377 628101126 /nfs/dbraw/zinc/10/11/26/628101126.db2.gz PKTHCJKPCORURV-QGZVFWFLSA-N 2 1 288.435 3.450 20 10 CGCDMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1O ZINC000775532479 628104279 /nfs/dbraw/zinc/10/42/79/628104279.db2.gz VQXBTJXKPMDCIO-OAHLLOKOSA-N 2 1 294.826 3.348 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000775653612 628120104 /nfs/dbraw/zinc/12/01/04/628120104.db2.gz KGHCLEYAZSOAPP-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000775653612 628120105 /nfs/dbraw/zinc/12/01/05/628120105.db2.gz KGHCLEYAZSOAPP-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000775653612 628120107 /nfs/dbraw/zinc/12/01/07/628120107.db2.gz KGHCLEYAZSOAPP-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)c(C)cc1O ZINC000809750466 630799181 /nfs/dbraw/zinc/79/91/81/630799181.db2.gz XKVHXJCPBSRJGI-UHFFFAOYSA-N 2 1 290.451 3.317 20 10 CGCDMP Oc1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc2ccccc21 ZINC000816535479 632005909 /nfs/dbraw/zinc/00/59/09/632005909.db2.gz PSSIPMRCZXKXLV-AWEZNQCLSA-N 2 1 296.414 3.119 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000817963066 632259042 /nfs/dbraw/zinc/25/90/42/632259042.db2.gz ROSXTMPNIWNYFJ-HIFRSBDPSA-N 2 1 264.413 3.259 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000846178461 636154659 /nfs/dbraw/zinc/15/46/59/636154659.db2.gz VXEVVHKPNWNXQT-ZDUSSCGKSA-N 2 1 282.403 3.160 20 10 CGCDMP Cc1cccc(O)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000876756435 634892475 /nfs/dbraw/zinc/89/24/75/634892475.db2.gz RSQQFFNQPWCJON-MRXNPFEDSA-N 2 1 288.435 3.151 20 10 CGCDMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(O)c1 ZINC000876933692 634931459 /nfs/dbraw/zinc/93/14/59/634931459.db2.gz WPYHDTFEGLGGOU-INIZCTEOSA-N 2 1 290.451 3.445 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000840808460 635055491 /nfs/dbraw/zinc/05/54/91/635055491.db2.gz CNZQDCUWZWMPNE-HUUCEWRRSA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(O)c1C ZINC000840810072 635056388 /nfs/dbraw/zinc/05/63/88/635056388.db2.gz OJDQNXGYGFBEBU-JKSUJKDBSA-N 2 1 290.451 3.392 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000840941727 635088374 /nfs/dbraw/zinc/08/83/74/635088374.db2.gz JEWNHOZSJULGMJ-ZDUSSCGKSA-N 2 1 296.842 3.270 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000840941727 635088379 /nfs/dbraw/zinc/08/83/79/635088379.db2.gz JEWNHOZSJULGMJ-ZDUSSCGKSA-N 2 1 296.842 3.270 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000840952490 635092480 /nfs/dbraw/zinc/09/24/80/635092480.db2.gz BHBXVSIAQNWAAP-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841020557 635108069 /nfs/dbraw/zinc/10/80/69/635108069.db2.gz YRLBCTOTXTVSHA-HZPDHXFCSA-N 2 1 290.451 3.382 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000846178435 636153631 /nfs/dbraw/zinc/15/36/31/636153631.db2.gz VIMWDHHODKRPKW-AWEZNQCLSA-N 2 1 264.413 3.021 20 10 CGCDMP C[NH+](C)C1(C)CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883197257 636580132 /nfs/dbraw/zinc/58/01/32/636580132.db2.gz HNNMWZIRODFQSH-UHFFFAOYSA-N 2 1 298.377 3.023 20 10 CGCDMP CCc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1O ZINC000848898233 636680689 /nfs/dbraw/zinc/68/06/89/636680689.db2.gz QZGDPLMKJJXADF-ALOPSCKCSA-N 2 1 288.435 3.060 20 10 CGCDMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1O ZINC000925739146 638591147 /nfs/dbraw/zinc/59/11/47/638591147.db2.gz UGALSYQANUVGFU-VIFPVBQESA-N 2 1 290.329 3.189 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(O)c1 ZINC000858490785 638741484 /nfs/dbraw/zinc/74/14/84/638741484.db2.gz OKYUPWWGSXFCLD-CVEARBPZSA-N 2 1 290.451 3.392 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254529094 806442715 /nfs/dbraw/zinc/44/27/15/806442715.db2.gz CVCBGAQNKBJNHR-SFHVURJKSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254529094 806442718 /nfs/dbraw/zinc/44/27/18/806442718.db2.gz CVCBGAQNKBJNHR-SFHVURJKSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254529094 806442727 /nfs/dbraw/zinc/44/27/27/806442727.db2.gz CVCBGAQNKBJNHR-SFHVURJKSA-N 2 1 289.467 3.059 20 10 CGCDMP CN(C)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000163369399 799082273 /nfs/dbraw/zinc/08/22/73/799082273.db2.gz LWICZXJQHKBDEI-SFHVURJKSA-N 2 1 289.467 3.059 20 10 CGCDMP CN(C)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000163369399 799082281 /nfs/dbraw/zinc/08/22/81/799082281.db2.gz LWICZXJQHKBDEI-SFHVURJKSA-N 2 1 289.467 3.059 20 10 CGCDMP Cc1c(C[N@H+](C)CCC[NH+]2CCCC2)c2ccccc2n1C ZINC001138257043 803882263 /nfs/dbraw/zinc/88/22/63/803882263.db2.gz UARZJZVUXCCVDK-UHFFFAOYSA-N 2 1 299.462 3.404 20 10 CGCDMP Cc1c(C[N@@H+](C)CCC[NH+]2CCCC2)c2ccccc2n1C ZINC001138257043 803882269 /nfs/dbraw/zinc/88/22/69/803882269.db2.gz UARZJZVUXCCVDK-UHFFFAOYSA-N 2 1 299.462 3.404 20 10 CGCDMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001170113556 807761698 /nfs/dbraw/zinc/76/16/98/807761698.db2.gz RFMZIGVCAQWPRO-RHSMWYFYSA-N 2 1 288.435 3.135 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(O)c1 ZINC001205652838 813041358 /nfs/dbraw/zinc/04/13/58/813041358.db2.gz RIUYMPHQFJXNPQ-GDBMZVCRSA-N 2 1 290.451 3.322 20 10 CGCDMP Cc1c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001206549811 813348406 /nfs/dbraw/zinc/34/84/06/813348406.db2.gz QBGOZYNLCFNBFB-IBGZPJMESA-N 2 1 299.462 3.438 20 10 CGCDMP Cc1c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222148016 816360400 /nfs/dbraw/zinc/36/04/00/816360400.db2.gz HWENHFGWHURODN-LJQANCHMSA-N 2 1 297.446 3.062 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222250062 816386182 /nfs/dbraw/zinc/38/61/82/816386182.db2.gz ZLTBENJJJZYEHX-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP CC[N@H+](Cc1c([O-])ccc2ccccc21)C1CCN(C)CC1 ZINC001231588972 818130182 /nfs/dbraw/zinc/13/01/82/818130182.db2.gz TUAFNZLCCAVQIB-UHFFFAOYSA-N 2 1 298.430 3.462 20 10 CGCDMP CC[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCN(C)CC1 ZINC001231588972 818130183 /nfs/dbraw/zinc/13/01/83/818130183.db2.gz TUAFNZLCCAVQIB-UHFFFAOYSA-N 2 1 298.430 3.462 20 10 CGCDMP C[N@H+](Cc1cc(C(C)(C)C)ccc1O)C1CC[NH+](C)CC1 ZINC001233283441 818565825 /nfs/dbraw/zinc/56/58/25/818565825.db2.gz HCOOFLWCXGZOSX-UHFFFAOYSA-N 2 1 290.451 3.216 20 10 CGCDMP C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C1CC[NH+](C)CC1 ZINC001233283441 818565832 /nfs/dbraw/zinc/56/58/32/818565832.db2.gz HCOOFLWCXGZOSX-UHFFFAOYSA-N 2 1 290.451 3.216 20 10 CGCDMP CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(O)c1 ZINC001235244796 819045936 /nfs/dbraw/zinc/04/59/36/819045936.db2.gz KUOMPVBAKXPRAT-CRAIPNDOSA-N 2 1 288.435 3.003 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(O)c1 ZINC001235244796 819045939 /nfs/dbraw/zinc/04/59/39/819045939.db2.gz KUOMPVBAKXPRAT-CRAIPNDOSA-N 2 1 288.435 3.003 20 10 CGCDMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235905030 819214231 /nfs/dbraw/zinc/21/42/31/819214231.db2.gz KNIKVALVXJDABW-WMLDXEAASA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235905030 819214238 /nfs/dbraw/zinc/21/42/38/819214238.db2.gz KNIKVALVXJDABW-WMLDXEAASA-N 2 1 296.414 3.371 20 10 CGCDMP C[N@H+](Cc1cc(C(C)(C)C)ccc1O)C[C@@H]1CCC[NH2+]C1 ZINC001235956239 819243956 /nfs/dbraw/zinc/24/39/56/819243956.db2.gz AYZPXOKSKBGSHY-CQSZACIVSA-N 2 1 290.451 3.121 20 10 CGCDMP CCC[N@@H+](Cc1c(C)n(C)c2ccccc21)C1CC[NH2+]CC1 ZINC001236181701 819359388 /nfs/dbraw/zinc/35/93/88/819359388.db2.gz BILFWBKNTKCESF-UHFFFAOYSA-N 2 1 299.462 3.451 20 10 CGCDMP CC(C)c1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c(O)c1 ZINC001236206169 819369116 /nfs/dbraw/zinc/36/91/16/819369116.db2.gz IZOBBEPANDLCJC-KRWDZBQOSA-N 2 1 276.424 3.090 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c(O)c1 ZINC001236206169 819369120 /nfs/dbraw/zinc/36/91/20/819369120.db2.gz IZOBBEPANDLCJC-KRWDZBQOSA-N 2 1 276.424 3.090 20 10 CGCDMP Cc1c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c2ccccc2n1C ZINC001236214181 819376063 /nfs/dbraw/zinc/37/60/63/819376063.db2.gz COFMSAWJWMMJKP-SJLPKXTDSA-N 2 1 285.435 3.188 20 10 CGCDMP Cc1c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c2ccccc2n1C ZINC001236214181 819376068 /nfs/dbraw/zinc/37/60/68/819376068.db2.gz COFMSAWJWMMJKP-SJLPKXTDSA-N 2 1 285.435 3.188 20 10 CGCDMP CCc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236474738 819492362 /nfs/dbraw/zinc/49/23/62/819492362.db2.gz MLQONJPNUQECAE-QGZVFWFLSA-N 2 1 290.451 3.165 20 10 CGCDMP CCc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156632 819682460 /nfs/dbraw/zinc/68/24/60/819682460.db2.gz PPHLFIPQTFBJHN-KRWDZBQOSA-N 2 1 288.435 3.061 20 10 CGCDMP CCc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156632 819682461 /nfs/dbraw/zinc/68/24/61/819682461.db2.gz PPHLFIPQTFBJHN-KRWDZBQOSA-N 2 1 288.435 3.061 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237410106 819746590 /nfs/dbraw/zinc/74/65/90/819746590.db2.gz BLASQXQRSBZDAB-WMZOPIPTSA-N 2 1 296.414 3.119 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000217659159 928157933 /nfs/dbraw/zinc/15/79/33/928157933.db2.gz VZSSWQBMEICTLX-JYJNAYRXSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000217659159 928157944 /nfs/dbraw/zinc/15/79/44/928157944.db2.gz VZSSWQBMEICTLX-JYJNAYRXSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320118328 934003885 /nfs/dbraw/zinc/00/38/85/934003885.db2.gz IFUDMXRKGUSMIW-JKSUJKDBSA-N 2 1 290.451 3.392 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC001324514630 934517982 /nfs/dbraw/zinc/51/79/82/934517982.db2.gz UYFLJFRWXOREOA-HZPDHXFCSA-N 2 1 290.451 3.392 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326201951 934959039 /nfs/dbraw/zinc/95/90/39/934959039.db2.gz MSKVYWLTUBWDHD-UHFFFAOYSA-N 2 1 294.826 3.011 20 10 CGCDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001474308872 937850336 /nfs/dbraw/zinc/85/03/36/937850336.db2.gz IJOWCIOSAUOYQS-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001474308872 937850338 /nfs/dbraw/zinc/85/03/38/937850338.db2.gz IJOWCIOSAUOYQS-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474308872 937850340 /nfs/dbraw/zinc/85/03/40/937850340.db2.gz IJOWCIOSAUOYQS-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474308872 937850342 /nfs/dbraw/zinc/85/03/42/937850342.db2.gz IJOWCIOSAUOYQS-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC001474504284 937864032 /nfs/dbraw/zinc/86/40/32/937864032.db2.gz FCYYVOWNDQYWDV-YOEHRIQHSA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC001474504284 937864034 /nfs/dbraw/zinc/86/40/34/937864034.db2.gz FCYYVOWNDQYWDV-YOEHRIQHSA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC001474504284 937864036 /nfs/dbraw/zinc/86/40/36/937864036.db2.gz FCYYVOWNDQYWDV-YOEHRIQHSA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC001474504284 937864038 /nfs/dbraw/zinc/86/40/38/937864038.db2.gz FCYYVOWNDQYWDV-YOEHRIQHSA-N 2 1 290.451 3.288 20 10 CGCDMP Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000180470425 374012555 /nfs/dbraw/zinc/01/25/55/374012555.db2.gz QEILDTOJDYIYPK-MRXNPFEDSA-N 2 1 288.435 3.008 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273438488 378746170 /nfs/dbraw/zinc/74/61/70/378746170.db2.gz XTQARVHRMCBSEP-HOTGVXAUSA-N 2 1 290.451 3.392 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000366433581 382308662 /nfs/dbraw/zinc/30/86/62/382308662.db2.gz OOZYUZNSGXWUNY-FHERZECASA-N 2 1 288.435 3.368 20 10 CGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090721002 260261756 /nfs/dbraw/zinc/26/17/56/260261756.db2.gz GPWNXEVIKDWOPK-NVXWUHKLSA-N 2 1 289.467 3.105 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1O ZINC000280173516 522855213 /nfs/dbraw/zinc/85/52/13/522855213.db2.gz RGXNNRKTQPJAGA-GOEBONIOSA-N 2 1 276.424 3.083 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(C)cc1O ZINC000279964156 522867429 /nfs/dbraw/zinc/86/74/29/522867429.db2.gz CNXOAGDRQPUQBI-GDBMZVCRSA-N 2 1 299.418 3.200 20 10 CGCDMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1O)[NH+]1CCCCC1 ZINC000186545632 626017321 /nfs/dbraw/zinc/01/73/21/626017321.db2.gz OPWTWRZCLPYGJE-KBPBESRZSA-N 2 1 294.414 3.446 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000775504495 628101811 /nfs/dbraw/zinc/10/18/11/628101811.db2.gz ZCDRWZDOXLREAC-DOMZBBRYSA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808685107 630664543 /nfs/dbraw/zinc/66/45/43/630664543.db2.gz AYAWMILXJCJSDN-NSHDSACASA-N 2 1 293.798 3.210 20 10 CGCDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1O ZINC000817958141 632253460 /nfs/dbraw/zinc/25/34/60/632253460.db2.gz IGTOJEPLUZOMKZ-JKSUJKDBSA-N 2 1 276.424 3.341 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000817958945 632254371 /nfs/dbraw/zinc/25/43/71/632254371.db2.gz NDVDIFDORSTBAN-CZUORRHYSA-N 2 1 276.424 3.259 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817963194 632258551 /nfs/dbraw/zinc/25/85/51/632258551.db2.gz SDICMHIEJTZTEI-WZRBSPASSA-N 2 1 280.387 3.187 20 10 CGCDMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970585 632263782 /nfs/dbraw/zinc/26/37/82/632263782.db2.gz ALDRPJQIYRDMNE-GJZGRUSLSA-N 2 1 275.440 3.065 20 10 CGCDMP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000817977445 632268646 /nfs/dbraw/zinc/26/86/46/632268646.db2.gz KLKSMDQDOMKAHJ-NXEZZACHSA-N 2 1 290.329 3.189 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000873250001 634301075 /nfs/dbraw/zinc/30/10/75/634301075.db2.gz OLLVILPWQSFSIV-XHNCKOQMSA-N 2 1 289.206 3.087 20 10 CGCDMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC000877673281 635141014 /nfs/dbraw/zinc/14/10/14/635141014.db2.gz CVDZTZCWTHVKHI-UHFFFAOYSA-N 2 1 288.435 3.151 20 10 CGCDMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841746384 635222041 /nfs/dbraw/zinc/22/20/41/635222041.db2.gz FTKRZXYCUPCLLW-LLVKDONJSA-N 2 1 282.815 3.038 20 10 CGCDMP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841753185 635227251 /nfs/dbraw/zinc/22/72/51/635227251.db2.gz KXNYUVNOCHBULC-GFCCVEGCSA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000843047594 635550057 /nfs/dbraw/zinc/55/00/57/635550057.db2.gz YMZRQJBHLHKEHQ-FUNVUKJBSA-N 2 1 294.826 3.069 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000843047594 635550064 /nfs/dbraw/zinc/55/00/64/635550064.db2.gz YMZRQJBHLHKEHQ-FUNVUKJBSA-N 2 1 294.826 3.069 20 10 CGCDMP CCC[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1O ZINC000843358197 635653770 /nfs/dbraw/zinc/65/37/70/635653770.db2.gz BGJVSIHLBLXXGS-UHFFFAOYSA-N 2 1 290.451 3.384 20 10 CGCDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000094616973 640799060 /nfs/dbraw/zinc/79/90/60/640799060.db2.gz HRRGEAIUHJSIRH-LBPRGKRZSA-N 2 1 280.387 3.056 20 10 CGCDMP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252505611 640852303 /nfs/dbraw/zinc/85/23/03/640852303.db2.gz VBOSPKJRTDAAOM-IUODEOHRSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252505611 640852306 /nfs/dbraw/zinc/85/23/06/640852306.db2.gz VBOSPKJRTDAAOM-IUODEOHRSA-N 2 1 294.826 3.010 20 10 CGCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC[NH+](CC)CC1 ZINC001169262134 807617901 /nfs/dbraw/zinc/61/79/01/807617901.db2.gz SUDAOXXKBGSBJK-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC[NH+](CC)CC1 ZINC001169262134 807617903 /nfs/dbraw/zinc/61/79/03/807617903.db2.gz SUDAOXXKBGSBJK-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001205915844 813131613 /nfs/dbraw/zinc/13/16/13/813131613.db2.gz QVWXYCBBTKRDDQ-CJNGLKHVSA-N 2 1 284.403 3.105 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205939588 813141228 /nfs/dbraw/zinc/14/12/28/813141228.db2.gz RTOMXZVUVXONCG-HNNXBMFYSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205939588 813141236 /nfs/dbraw/zinc/14/12/36/813141236.db2.gz RTOMXZVUVXONCG-HNNXBMFYSA-N 2 1 276.424 3.003 20 10 CGCDMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCC[C@@H]1C[NH3+] ZINC001206014526 813166595 /nfs/dbraw/zinc/16/65/95/813166595.db2.gz XFAWWRQGKYMUJB-GOEBONIOSA-N 2 1 298.430 3.352 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206370017 813305827 /nfs/dbraw/zinc/30/58/27/813305827.db2.gz KINOFKHEIZUGEJ-KRWDZBQOSA-N 2 1 294.414 3.169 20 10 CGCDMP Oc1c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)ccc2ccccc21 ZINC001222355238 816417618 /nfs/dbraw/zinc/41/76/18/816417618.db2.gz QHHLSUAMUDDVCP-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)ccc2ccccc21 ZINC001222355238 816417621 /nfs/dbraw/zinc/41/76/21/816417621.db2.gz QHHLSUAMUDDVCP-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892270 819202349 /nfs/dbraw/zinc/20/23/49/819202349.db2.gz OECGTSUYBSOHMD-ZBFHGGJFSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892270 819202355 /nfs/dbraw/zinc/20/23/55/819202355.db2.gz OECGTSUYBSOHMD-ZBFHGGJFSA-N 2 1 297.446 3.217 20 10 CGCDMP CC[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)Cc1ccccc1O ZINC001236044170 819281993 /nfs/dbraw/zinc/28/19/93/819281993.db2.gz KDPRUKPEZVWSLR-UHFFFAOYSA-N 2 1 296.414 3.060 20 10 CGCDMP Cc1c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1C ZINC001236214179 819377227 /nfs/dbraw/zinc/37/72/27/819377227.db2.gz COFMSAWJWMMJKP-FUHWJXTLSA-N 2 1 285.435 3.188 20 10 CGCDMP Cc1c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1C ZINC001236214179 819377234 /nfs/dbraw/zinc/37/72/34/819377234.db2.gz COFMSAWJWMMJKP-FUHWJXTLSA-N 2 1 285.435 3.188 20 10 CGCDMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236417494 819463082 /nfs/dbraw/zinc/46/30/82/819463082.db2.gz FDGUYZWUOPVGMX-KBXCAEBGSA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236417494 819463087 /nfs/dbraw/zinc/46/30/87/819463087.db2.gz FDGUYZWUOPVGMX-KBXCAEBGSA-N 2 1 296.414 3.371 20 10 CGCDMP CC(C)(C)C[N@@H+](Cc1cc(F)ccc1O)C1CC[NH2+]CC1 ZINC001236456698 819485119 /nfs/dbraw/zinc/48/51/19/819485119.db2.gz FFVWHLUXHUUDKC-UHFFFAOYSA-N 2 1 294.414 3.131 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001237050397 819652674 /nfs/dbraw/zinc/65/26/74/819652674.db2.gz AGYJUQWFYWHETN-SFHVURJKSA-N 2 1 288.435 3.043 20 10 CGCDMP CC(C)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001237050397 819652677 /nfs/dbraw/zinc/65/26/77/819652677.db2.gz AGYJUQWFYWHETN-SFHVURJKSA-N 2 1 288.435 3.043 20 10 CGCDMP CC(C)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001237050397 819652681 /nfs/dbraw/zinc/65/26/81/819652681.db2.gz AGYJUQWFYWHETN-SFHVURJKSA-N 2 1 288.435 3.043 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001321023099 934135852 /nfs/dbraw/zinc/13/58/52/934135852.db2.gz KLOTVBJOKVTLIA-DZGCQCFKSA-N 2 1 299.418 3.434 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000293596334 372420532 /nfs/dbraw/zinc/42/05/32/372420532.db2.gz FUKVMAXBUYCALH-AWEZNQCLSA-N 2 1 288.435 3.286 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1O ZINC000363858962 382259454 /nfs/dbraw/zinc/25/94/54/382259454.db2.gz RWLRCNPBKKELEX-UBHSHLNASA-N 2 1 294.826 3.323 20 10 CGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185346802 262051782 /nfs/dbraw/zinc/05/17/82/262051782.db2.gz MTEYCLOJJHGKKZ-ZIAGYGMSSA-N 2 1 287.407 3.192 20 10 CGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185346840 262051832 /nfs/dbraw/zinc/05/18/32/262051832.db2.gz MTEYCLOJJHGKKZ-UONOGXRCSA-N 2 1 287.407 3.192 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000293687367 519863772 /nfs/dbraw/zinc/86/37/72/519863772.db2.gz KSZMWJWOJPWGKO-JKSUJKDBSA-N 2 1 290.451 3.392 20 10 CGCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856122 523977001 /nfs/dbraw/zinc/97/70/01/523977001.db2.gz IGKAFAAROGUVGI-LJQANCHMSA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856122 523977006 /nfs/dbraw/zinc/97/70/06/523977006.db2.gz IGKAFAAROGUVGI-LJQANCHMSA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856122 523977009 /nfs/dbraw/zinc/97/70/09/523977009.db2.gz IGKAFAAROGUVGI-LJQANCHMSA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+](C)CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000734843509 572687077 /nfs/dbraw/zinc/68/70/77/572687077.db2.gz MHPNCOCUSCQJDM-UHFFFAOYSA-N 2 1 289.467 3.060 20 10 CGCDMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000734843509 572687080 /nfs/dbraw/zinc/68/70/80/572687080.db2.gz MHPNCOCUSCQJDM-UHFFFAOYSA-N 2 1 289.467 3.060 20 10 CGCDMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(N2CCCCCC2)cc1 ZINC000902417533 621309557 /nfs/dbraw/zinc/30/95/57/621309557.db2.gz SEUCULHVPQZANC-OAHLLOKOSA-N 2 1 287.451 3.209 20 10 CGCDMP CCN(C)c1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000773756199 627911467 /nfs/dbraw/zinc/91/14/67/627911467.db2.gz UROJVVTZDFTJPE-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP CCN(C)c1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000773756199 627911469 /nfs/dbraw/zinc/91/14/69/627911469.db2.gz UROJVVTZDFTJPE-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830218 628140566 /nfs/dbraw/zinc/14/05/66/628140566.db2.gz FGLKBKSHYXOOOA-YJBOKZPZSA-N 2 1 289.467 3.278 20 10 CGCDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958969 632254541 /nfs/dbraw/zinc/25/45/41/632254541.db2.gz NVEINIRFRQHDAE-QAPCUYQASA-N 2 1 289.467 3.311 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965209 632260009 /nfs/dbraw/zinc/26/00/09/632260009.db2.gz NVJFXLNQSNBONB-KBXCAEBGSA-N 2 1 287.451 3.065 20 10 CGCDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979055 632269867 /nfs/dbraw/zinc/26/98/67/632269867.db2.gz HSLKRWKIWOBYQS-DOTOQJQBSA-N 2 1 289.467 3.455 20 10 CGCDMP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817980644 632271186 /nfs/dbraw/zinc/27/11/86/632271186.db2.gz LZOJEGNJXGFBGO-ZFWWWQNUSA-N 2 1 280.387 3.104 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000840952502 635092135 /nfs/dbraw/zinc/09/21/35/635092135.db2.gz BRLFBYUWVUBWBK-UHFFFAOYSA-N 2 1 289.467 3.025 20 10 CGCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000845997150 636127741 /nfs/dbraw/zinc/12/77/41/636127741.db2.gz VMMLXNCZSRVZSP-CQSZACIVSA-N 2 1 294.439 3.029 20 10 CGCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000848924165 636695848 /nfs/dbraw/zinc/69/58/48/636695848.db2.gz WBTDJCFOGPQDHS-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP C[N@H+]1CC[C@@H]([NH2+]CCCSc2nccs2)CC1(C)C ZINC000858141323 638640541 /nfs/dbraw/zinc/64/05/41/638640541.db2.gz NNHHGIUKMCZLLJ-GFCCVEGCSA-N 2 1 299.509 3.088 20 10 CGCDMP Oc1cccc(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261483548 807748432 /nfs/dbraw/zinc/74/84/32/807748432.db2.gz WMYVGISJVUCFIM-UHFFFAOYSA-N 2 1 294.826 3.011 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204946339 812792014 /nfs/dbraw/zinc/79/20/14/812792014.db2.gz NLCDKVKKTMUQRY-KRWDZBQOSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204946339 812792018 /nfs/dbraw/zinc/79/20/18/812792018.db2.gz NLCDKVKKTMUQRY-KRWDZBQOSA-N 2 1 276.424 3.003 20 10 CGCDMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)n1-c1ccccc1 ZINC001205101397 812865256 /nfs/dbraw/zinc/86/52/56/812865256.db2.gz FAHMFPZLVXBKMS-SFHVURJKSA-N 2 1 297.446 3.407 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001206564204 813354499 /nfs/dbraw/zinc/35/44/99/813354499.db2.gz MYPZPKCQNFEMEB-INIZCTEOSA-N 2 1 296.842 3.305 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235118563 819010695 /nfs/dbraw/zinc/01/06/95/819010695.db2.gz OPQDOGUEYGKWQT-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235118563 819010701 /nfs/dbraw/zinc/01/07/01/819010701.db2.gz OPQDOGUEYGKWQT-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235152244 819018275 /nfs/dbraw/zinc/01/82/75/819018275.db2.gz GCQRMUVEGYBWEX-QGZVFWFLSA-N 2 1 288.435 3.055 20 10 CGCDMP Cc1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1O ZINC001236457425 819485620 /nfs/dbraw/zinc/48/56/20/819485620.db2.gz NYNBMCXYKGJJAA-UHFFFAOYSA-N 2 1 290.451 3.301 20 10 CGCDMP CC(C)[N@H+](Cc1c(O)ccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC001236527193 819519017 /nfs/dbraw/zinc/51/90/17/819519017.db2.gz IGRMVNDQMWGKRE-HNNXBMFYSA-N 2 1 284.403 3.118 20 10 CGCDMP CC(C)[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC001236527193 819519021 /nfs/dbraw/zinc/51/90/21/819519021.db2.gz IGRMVNDQMWGKRE-HNNXBMFYSA-N 2 1 284.403 3.118 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651258 819561627 /nfs/dbraw/zinc/56/16/27/819561627.db2.gz HBVKSBKKHFEKBW-KRWDZBQOSA-N 2 1 288.435 3.197 20 10 CGCDMP Cc1ccc(O)c(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651258 819561631 /nfs/dbraw/zinc/56/16/31/819561631.db2.gz HBVKSBKKHFEKBW-KRWDZBQOSA-N 2 1 288.435 3.197 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(CC)cc1O ZINC001236786387 819595581 /nfs/dbraw/zinc/59/55/81/819595581.db2.gz BNRFSMVKXYQFJB-UHFFFAOYSA-N 2 1 278.440 3.118 20 10 CGCDMP Cc1cc(C)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156579 819682602 /nfs/dbraw/zinc/68/26/02/819682602.db2.gz ORCHPCHCVXKSJX-INIZCTEOSA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1cc(C)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156579 819682606 /nfs/dbraw/zinc/68/26/06/819682606.db2.gz ORCHPCHCVXKSJX-INIZCTEOSA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1cc(C)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156580 819683257 /nfs/dbraw/zinc/68/32/57/819683257.db2.gz ORCHPCHCVXKSJX-MRXNPFEDSA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1cc(C)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156580 819683260 /nfs/dbraw/zinc/68/32/60/819683260.db2.gz ORCHPCHCVXKSJX-MRXNPFEDSA-N 2 1 288.435 3.116 20 10 CGCDMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001462464486 937643290 /nfs/dbraw/zinc/64/32/90/937643290.db2.gz ZLHIXONNMNFVFE-CJNGLKHVSA-N 2 1 294.414 3.084 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000151106537 371570102 /nfs/dbraw/zinc/57/01/02/371570102.db2.gz QUEMAWBETGRHEI-JKSUJKDBSA-N 2 1 289.467 3.135 20 10 CGCDMP Cc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000180439281 374005986 /nfs/dbraw/zinc/00/59/86/374005986.db2.gz RDQFXFJAHWNPHI-INIZCTEOSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000180439281 374005991 /nfs/dbraw/zinc/00/59/91/374005991.db2.gz RDQFXFJAHWNPHI-INIZCTEOSA-N 2 1 276.424 3.007 20 10 CGCDMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1O ZINC000530214149 375939371 /nfs/dbraw/zinc/93/93/71/375939371.db2.gz BHMPCOXLPOFAMJ-ZBFHGGJFSA-N 2 1 274.408 3.026 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273438492 378746227 /nfs/dbraw/zinc/74/62/27/378746227.db2.gz XTQARVHRMCBSEP-JKSUJKDBSA-N 2 1 290.451 3.392 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1C ZINC000363846372 382258564 /nfs/dbraw/zinc/25/85/64/382258564.db2.gz CHXRLYXXLRSQNT-HRCADAONSA-N 2 1 288.435 3.286 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C)cc1O ZINC000280097514 522756884 /nfs/dbraw/zinc/75/68/84/522756884.db2.gz MWFKXBSMKAJKEV-ULQDDVLXSA-N 2 1 288.435 3.368 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C)cc1O ZINC000280097514 522756895 /nfs/dbraw/zinc/75/68/95/522756895.db2.gz MWFKXBSMKAJKEV-ULQDDVLXSA-N 2 1 288.435 3.368 20 10 CGCDMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1O ZINC000037140877 522811500 /nfs/dbraw/zinc/81/15/00/522811500.db2.gz QZPSIFBLCRHIQX-MRXNPFEDSA-N 2 1 274.408 3.060 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1O ZINC000839181922 626326265 /nfs/dbraw/zinc/32/62/65/626326265.db2.gz KMKSMJRCUBBTBQ-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1C ZINC000756613710 626720534 /nfs/dbraw/zinc/72/05/34/626720534.db2.gz QICHMYRSJVMGRN-QEJZJMRPSA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1C ZINC000756613710 626720537 /nfs/dbraw/zinc/72/05/37/626720537.db2.gz QICHMYRSJVMGRN-QEJZJMRPSA-N 2 1 276.424 3.142 20 10 CGCDMP CCCN(c1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862348360 629345966 /nfs/dbraw/zinc/34/59/66/629345966.db2.gz KUZPYWJTUNYNTM-KRWDZBQOSA-N 2 1 289.467 3.235 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000815560919 631795290 /nfs/dbraw/zinc/79/52/90/631795290.db2.gz UHQMCZWKBDYCLA-HRCADAONSA-N 2 1 288.435 3.286 20 10 CGCDMP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817980639 632271181 /nfs/dbraw/zinc/27/11/81/632271181.db2.gz LZOJEGNJXGFBGO-HIFRSBDPSA-N 2 1 280.387 3.104 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817983906 632273079 /nfs/dbraw/zinc/27/30/79/632273079.db2.gz LCJIODJEOKTCJO-XJKSGUPXSA-N 2 1 288.435 3.064 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)c2c1c(F)ccc2O ZINC000817982699 632273291 /nfs/dbraw/zinc/27/32/91/632273291.db2.gz VNDBBNLPMXUIKA-SWHYSGLUSA-N 2 1 292.398 3.187 20 10 CGCDMP CN(C)c1ccc(/C=C/C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000841040143 635112203 /nfs/dbraw/zinc/11/22/03/635112203.db2.gz JYLPXBAEFXSCFL-VOTSOKGWSA-N 2 1 287.451 3.017 20 10 CGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC(C)(C)C[NH3+] ZINC000843056409 635552979 /nfs/dbraw/zinc/55/29/79/635552979.db2.gz JAJZJKJFOXHWAQ-UHFFFAOYSA-N 2 1 289.467 3.094 20 10 CGCDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000843056502 635553421 /nfs/dbraw/zinc/55/34/21/635553421.db2.gz OCAKMIYMKQGOHG-IPLHWJFFSA-N 2 1 289.467 3.071 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000845997200 636127500 /nfs/dbraw/zinc/12/75/00/636127500.db2.gz WYTMXARCIJXCRM-UHFFFAOYSA-N 2 1 284.831 3.113 20 10 CGCDMP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1c(O)cccc1F ZINC000886601074 637598214 /nfs/dbraw/zinc/59/82/14/637598214.db2.gz JDFOILFZMDBQQG-LBPRGKRZSA-N 2 1 292.398 3.056 20 10 CGCDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001254508139 806428816 /nfs/dbraw/zinc/42/88/16/806428816.db2.gz HBWLQBMSJKBKPW-QGZVFWFLSA-N 2 1 284.403 3.119 20 10 CGCDMP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001257310320 807099579 /nfs/dbraw/zinc/09/95/79/807099579.db2.gz BAJXSBORYLERBU-AWEZNQCLSA-N 2 1 276.424 3.135 20 10 CGCDMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)n1-c1ccccc1 ZINC001205101395 812865691 /nfs/dbraw/zinc/86/56/91/812865691.db2.gz FAHMFPZLVXBKMS-GOSISDBHSA-N 2 1 297.446 3.407 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@@H]1C[NH3+] ZINC001205316471 812949523 /nfs/dbraw/zinc/94/95/23/812949523.db2.gz JHHKKLYXZXIVKI-HIFRSBDPSA-N 2 1 290.451 3.106 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C[NH3+] ZINC001205638445 813035783 /nfs/dbraw/zinc/03/57/83/813035783.db2.gz NXJHVFKOZMBQMM-GOEBONIOSA-N 2 1 298.430 3.352 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205931306 813139206 /nfs/dbraw/zinc/13/92/06/813139206.db2.gz IOUQBQUAUTYIOU-SFHVURJKSA-N 2 1 297.446 3.407 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205931306 813139208 /nfs/dbraw/zinc/13/92/08/813139208.db2.gz IOUQBQUAUTYIOU-SFHVURJKSA-N 2 1 297.446 3.407 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c2ccccc2n1C ZINC001205996134 813156650 /nfs/dbraw/zinc/15/66/50/813156650.db2.gz UYVURVQWJOYLOZ-ZBFHGGJFSA-N 2 1 299.462 3.294 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236242366 819400910 /nfs/dbraw/zinc/40/09/10/819400910.db2.gz WPVPHFVONAHQMC-MRXNPFEDSA-N 2 1 296.414 3.262 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236242366 819400914 /nfs/dbraw/zinc/40/09/14/819400914.db2.gz WPVPHFVONAHQMC-MRXNPFEDSA-N 2 1 296.414 3.262 20 10 CGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2cc1O ZINC001236837093 819616685 /nfs/dbraw/zinc/61/66/85/819616685.db2.gz NHBSBEYHSDIYRS-UHFFFAOYSA-N 2 1 286.419 3.319 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564065 392239610 /nfs/dbraw/zinc/23/96/10/392239610.db2.gz HMFBRDKABRIBLG-QGZVFWFLSA-N 2 1 288.435 3.151 20 10 CGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000173451091 392625238 /nfs/dbraw/zinc/62/52/38/392625238.db2.gz CXLSAAKNGJTOJX-INIZCTEOSA-N 2 1 290.451 3.173 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000173451091 392625241 /nfs/dbraw/zinc/62/52/41/392625241.db2.gz CXLSAAKNGJTOJX-INIZCTEOSA-N 2 1 290.451 3.173 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000173451091 392625245 /nfs/dbraw/zinc/62/52/45/392625245.db2.gz CXLSAAKNGJTOJX-INIZCTEOSA-N 2 1 290.451 3.173 20 10 CGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173489657 392627390 /nfs/dbraw/zinc/62/73/90/392627390.db2.gz NJWZHXQYVCNDSQ-HNNXBMFYSA-N 2 1 298.430 3.319 20 10 CGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185347205 262051954 /nfs/dbraw/zinc/05/19/54/262051954.db2.gz IGGXYACRGMAUJZ-RYUDHWBXSA-N 2 1 291.370 3.023 20 10 CGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000092165266 327188921 /nfs/dbraw/zinc/18/89/21/327188921.db2.gz UONWOXJFJJWHOJ-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C)cc1O ZINC000280097509 522720770 /nfs/dbraw/zinc/72/07/70/522720770.db2.gz MWFKXBSMKAJKEV-GVDBMIGSSA-N 2 1 288.435 3.368 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C)cc1O ZINC000280097509 522720781 /nfs/dbraw/zinc/72/07/81/522720781.db2.gz MWFKXBSMKAJKEV-GVDBMIGSSA-N 2 1 288.435 3.368 20 10 CGCDMP CCCN(CCC)c1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000841082165 622275802 /nfs/dbraw/zinc/27/58/02/622275802.db2.gz WOUYBEQMKDLFGE-HUUCEWRRSA-N 2 1 277.456 3.138 20 10 CGCDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000839183104 626327014 /nfs/dbraw/zinc/32/70/14/626327014.db2.gz UAKJNZOLCGDZGL-HNNXBMFYSA-N 2 1 298.430 3.367 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(O)c1C ZINC000756554039 626714680 /nfs/dbraw/zinc/71/46/80/626714680.db2.gz NQYLRSHTKCWGTA-CABCVRRESA-N 2 1 276.424 3.001 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000796693794 629815854 /nfs/dbraw/zinc/81/58/54/629815854.db2.gz JGKZOBNLFUMFCJ-XJKSGUPXSA-N 2 1 294.414 3.304 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000817958943 632254944 /nfs/dbraw/zinc/25/49/44/632254944.db2.gz NDVDIFDORSTBAN-BBRMVZONSA-N 2 1 276.424 3.259 20 10 CGCDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960594 632256010 /nfs/dbraw/zinc/25/60/10/632256010.db2.gz OAPNFNNBXFGDMZ-KDOFPFPSSA-N 2 1 287.451 3.065 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000817962830 632258922 /nfs/dbraw/zinc/25/89/22/632258922.db2.gz LJGMYAHEBUVQOO-GOEBONIOSA-N 2 1 277.456 3.311 20 10 CGCDMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970584 632264831 /nfs/dbraw/zinc/26/48/31/632264831.db2.gz ALDRPJQIYRDMNE-CABCVRRESA-N 2 1 275.440 3.065 20 10 CGCDMP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cc1O ZINC000817976737 632267803 /nfs/dbraw/zinc/26/78/03/632267803.db2.gz SSJPHMCYBPLQBS-BXUZGUMPSA-N 2 1 268.376 3.090 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825124988 633330724 /nfs/dbraw/zinc/33/07/24/633330724.db2.gz CAAMFHCRIYXIIR-UHFFFAOYSA-N 2 1 293.798 3.039 20 10 CGCDMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000873060770 634238819 /nfs/dbraw/zinc/23/88/19/634238819.db2.gz MYBUGNYAHSMSLR-DOTOQJQBSA-N 2 1 290.451 3.356 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000873256797 634304674 /nfs/dbraw/zinc/30/46/74/634304674.db2.gz OLLVILPWQSFSIV-CIUDSAMLSA-N 2 1 289.206 3.087 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000844902864 635980900 /nfs/dbraw/zinc/98/09/00/635980900.db2.gz VCGYXRKQJQGHBT-KBXCAEBGSA-N 2 1 289.467 3.010 20 10 CGCDMP CCc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1O ZINC000848911769 636686104 /nfs/dbraw/zinc/68/61/04/636686104.db2.gz YXYAIQDMOJIOTA-SJPCQFCGSA-N 2 1 288.435 3.012 20 10 CGCDMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1c(O)cccc1F ZINC000886491625 637540412 /nfs/dbraw/zinc/54/04/12/637540412.db2.gz JYFCRPRJTJZQNV-LLVKDONJSA-N 2 1 294.414 3.491 20 10 CGCDMP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1c(O)cccc1F ZINC000886601073 637597894 /nfs/dbraw/zinc/59/78/94/637597894.db2.gz JDFOILFZMDBQQG-GFCCVEGCSA-N 2 1 292.398 3.056 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000858490608 638741446 /nfs/dbraw/zinc/74/14/46/638741446.db2.gz KPASILMOAMVJRT-RDJZCZTQSA-N 2 1 290.451 3.473 20 10 CGCDMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001254508138 806427621 /nfs/dbraw/zinc/42/76/21/806427621.db2.gz HBWLQBMSJKBKPW-KRWDZBQOSA-N 2 1 284.403 3.119 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916042 798879262 /nfs/dbraw/zinc/87/92/62/798879262.db2.gz OPGWUCFPHSTUEK-WFASDCNBSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916042 798879266 /nfs/dbraw/zinc/87/92/66/798879266.db2.gz OPGWUCFPHSTUEK-WFASDCNBSA-N 2 1 294.826 3.010 20 10 CGCDMP Cc1c(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)c2ccccc2n1C ZINC001138259298 803884308 /nfs/dbraw/zinc/88/43/08/803884308.db2.gz DTGWEEREYQYYJS-KXBFYZLASA-N 2 1 297.446 3.013 20 10 CGCDMP Cc1c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc2n1C ZINC001138257919 803884425 /nfs/dbraw/zinc/88/44/25/803884425.db2.gz CUGGJGQICHQQLB-IBGZPJMESA-N 2 1 297.446 3.014 20 10 CGCDMP Cc1c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001138257919 803884432 /nfs/dbraw/zinc/88/44/32/803884432.db2.gz CUGGJGQICHQQLB-IBGZPJMESA-N 2 1 297.446 3.014 20 10 CGCDMP Cc1c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001138257919 803884442 /nfs/dbraw/zinc/88/44/42/803884442.db2.gz CUGGJGQICHQQLB-IBGZPJMESA-N 2 1 297.446 3.014 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246927547 804603864 /nfs/dbraw/zinc/60/38/64/804603864.db2.gz WQQATVCOOATIQO-HUUCEWRRSA-N 2 1 289.467 3.104 20 10 CGCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001169095313 807573574 /nfs/dbraw/zinc/57/35/74/807573574.db2.gz PDTWTQGKGZXQAQ-GGPHIMKMSA-N 2 1 299.462 3.002 20 10 CGCDMP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276168677 808990511 /nfs/dbraw/zinc/99/05/11/808990511.db2.gz HVKPNQGZTJHGMP-SFHVURJKSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276168677 808990514 /nfs/dbraw/zinc/99/05/14/808990514.db2.gz HVKPNQGZTJHGMP-SFHVURJKSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276168677 808990521 /nfs/dbraw/zinc/99/05/21/808990521.db2.gz HVKPNQGZTJHGMP-SFHVURJKSA-N 2 1 288.435 3.008 20 10 CGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c2ccccc2n(C)c1C ZINC001276556648 809016581 /nfs/dbraw/zinc/01/65/81/809016581.db2.gz PTQBLOVFZQUKGY-MQVJKMGUSA-N 2 1 297.446 3.202 20 10 CGCDMP CN(C)c1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)c2ccccc21 ZINC001204938850 812786682 /nfs/dbraw/zinc/78/66/82/812786682.db2.gz NMNSBWFLMYTBFV-IBGZPJMESA-N 2 1 297.446 3.219 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)c2ccccc21 ZINC001204938850 812786686 /nfs/dbraw/zinc/78/66/86/812786686.db2.gz NMNSBWFLMYTBFV-IBGZPJMESA-N 2 1 297.446 3.219 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@@H]1C[NH3+] ZINC001205317109 812949042 /nfs/dbraw/zinc/94/90/42/812949042.db2.gz MDROLEJBWUHLPR-ZFWWWQNUSA-N 2 1 290.451 3.106 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@H]1C[NH3+] ZINC001205316472 812949254 /nfs/dbraw/zinc/94/92/54/812949254.db2.gz JHHKKLYXZXIVKI-UKRRQHHQSA-N 2 1 290.451 3.106 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206012234 813165026 /nfs/dbraw/zinc/16/50/26/813165026.db2.gz JDSRYARPESEJDO-STQMWFEESA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001206566340 813356745 /nfs/dbraw/zinc/35/67/45/813356745.db2.gz ZVZUFILCQXATGY-IBGZPJMESA-N 2 1 298.430 3.496 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206768018 813431091 /nfs/dbraw/zinc/43/10/91/813431091.db2.gz GSKGFMQOSJQGDK-NVXWUHKLSA-N 2 1 289.467 3.092 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1Cl ZINC001235717688 819151519 /nfs/dbraw/zinc/15/15/19/819151519.db2.gz YXKNAAJFQJEPQC-UHFFFAOYSA-N 2 1 296.842 3.176 20 10 CGCDMP C[N@@H+](Cc1cc2ccccc2cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217891 819384729 /nfs/dbraw/zinc/38/47/29/819384729.db2.gz QRKFVYDDCFTAMZ-IAGOWNOFSA-N 2 1 284.403 3.247 20 10 CGCDMP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1N(C)C ZINC001236469047 819490107 /nfs/dbraw/zinc/49/01/07/819490107.db2.gz SXYYDWXRNBVZKT-QGZVFWFLSA-N 2 1 289.467 3.023 20 10 CGCDMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1N(C)C ZINC001236469047 819490109 /nfs/dbraw/zinc/49/01/09/819490109.db2.gz SXYYDWXRNBVZKT-QGZVFWFLSA-N 2 1 289.467 3.023 20 10 CGCDMP Cc1ccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236650432 819561400 /nfs/dbraw/zinc/56/14/00/819561400.db2.gz CEODQEFTXHEBPO-KRWDZBQOSA-N 2 1 288.435 3.197 20 10 CGCDMP Cc1ccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236650432 819561403 /nfs/dbraw/zinc/56/14/03/819561403.db2.gz CEODQEFTXHEBPO-KRWDZBQOSA-N 2 1 288.435 3.197 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)c1 ZINC001237053499 819654558 /nfs/dbraw/zinc/65/45/58/819654558.db2.gz LPPDAHULILRTNC-UHFFFAOYSA-N 2 1 290.451 3.289 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237400785 819743940 /nfs/dbraw/zinc/74/39/40/819743940.db2.gz AFDNQDDHIOYIEQ-MAUKXSAKSA-N 2 1 296.414 3.119 20 10 CGCDMP CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1F ZINC001461661557 937591171 /nfs/dbraw/zinc/59/11/71/937591171.db2.gz FVSNTYXCYKIMSK-CQSZACIVSA-N 2 1 295.446 3.102 20 10 CGCDMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC001326473702 934982271 /nfs/dbraw/zinc/98/22/71/934982271.db2.gz NVKQAWVPAPCHRG-RKDXNWHRSA-N 2 1 291.222 3.348 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415687 374001879 /nfs/dbraw/zinc/00/18/79/374001879.db2.gz DUOLJHWUTPCYIP-DOMZBBRYSA-N 2 1 296.842 3.208 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415687 374001886 /nfs/dbraw/zinc/00/18/86/374001886.db2.gz DUOLJHWUTPCYIP-DOMZBBRYSA-N 2 1 296.842 3.208 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415687 374001893 /nfs/dbraw/zinc/00/18/93/374001893.db2.gz DUOLJHWUTPCYIP-DOMZBBRYSA-N 2 1 296.842 3.208 20 10 CGCDMP CCN1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415687 374001898 /nfs/dbraw/zinc/00/18/98/374001898.db2.gz DUOLJHWUTPCYIP-DOMZBBRYSA-N 2 1 296.842 3.208 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000185112248 262041880 /nfs/dbraw/zinc/04/18/80/262041880.db2.gz CLBMTOPVRRBHGC-LSDHHAIUSA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1O ZINC000369723795 267260467 /nfs/dbraw/zinc/26/04/67/267260467.db2.gz YAMIVINIOUSRCU-UHFFFAOYSA-N 2 1 288.435 3.008 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000251705651 334367719 /nfs/dbraw/zinc/36/77/19/334367719.db2.gz PBWIGZJHVHVKLH-ZVZYQTTQSA-N 2 1 287.451 3.030 20 10 CGCDMP COc1ccc(CN[C@H](C[NH3+])C2CCCCC2)cc1C ZINC000841039667 620517393 /nfs/dbraw/zinc/51/73/93/620517393.db2.gz YMCAHHVBHBNGGE-MRXNPFEDSA-N 2 1 276.424 3.001 20 10 CGCDMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1C ZINC000841039667 620517394 /nfs/dbraw/zinc/51/73/94/620517394.db2.gz YMCAHHVBHBNGGE-MRXNPFEDSA-N 2 1 276.424 3.001 20 10 CGCDMP COc1ccc([N@H+](CC2CC2)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903476990 621763671 /nfs/dbraw/zinc/76/36/71/621763671.db2.gz QAJIZJIQKIXGLY-CABCVRRESA-N 2 1 274.408 3.039 20 10 CGCDMP COc1ccc([N@@H+](CC2CC2)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903476990 621763677 /nfs/dbraw/zinc/76/36/77/621763677.db2.gz QAJIZJIQKIXGLY-CABCVRRESA-N 2 1 274.408 3.039 20 10 CGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000760806572 626993333 /nfs/dbraw/zinc/99/33/33/626993333.db2.gz AFNFYGQLBZZTGW-UHFFFAOYSA-N 2 1 289.467 3.060 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1O ZINC000796799579 629836390 /nfs/dbraw/zinc/83/63/90/629836390.db2.gz RHXRWRQONUUZFS-YCPHGPKFSA-N 2 1 294.414 3.445 20 10 CGCDMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000817963522 632258979 /nfs/dbraw/zinc/25/89/79/632258979.db2.gz TWQIZQRAXTYSOW-VXGBXAGGSA-N 2 1 288.366 3.402 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1O ZINC000817975406 632267891 /nfs/dbraw/zinc/26/78/91/632267891.db2.gz NDLWHWVGWLRCIM-XEZPLFJOSA-N 2 1 294.414 3.337 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843050916 635550014 /nfs/dbraw/zinc/55/00/14/635550014.db2.gz BCAYKTFQHRYGMI-NVXWUHKLSA-N 2 1 289.467 3.092 20 10 CGCDMP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1c(O)cccc1F ZINC000886646331 637626848 /nfs/dbraw/zinc/62/68/48/637626848.db2.gz GAKSPPNFBCBEBQ-POZPTJLLSA-N 2 1 294.414 3.445 20 10 CGCDMP CC(C)(C)[NH+]1CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001256574841 806921183 /nfs/dbraw/zinc/92/11/83/806921183.db2.gz FOGARUQKOVPUQP-UHFFFAOYSA-N 2 1 288.435 3.013 20 10 CGCDMP Cc1ccc(O)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001140621338 804476851 /nfs/dbraw/zinc/47/68/51/804476851.db2.gz XOLFZVOJKOBBGR-UHFFFAOYSA-N 2 1 290.451 3.253 20 10 CGCDMP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258455319 807460507 /nfs/dbraw/zinc/46/05/07/807460507.db2.gz YNSYJCYYDXPHBY-AWEZNQCLSA-N 2 1 288.435 3.135 20 10 CGCDMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001170113558 807761580 /nfs/dbraw/zinc/76/15/80/807761580.db2.gz RFMZIGVCAQWPRO-YOEHRIQHSA-N 2 1 288.435 3.135 20 10 CGCDMP Oc1ccccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001203555807 812390220 /nfs/dbraw/zinc/39/02/20/812390220.db2.gz GLBUMIXFFGHWIV-KRWDZBQOSA-N 2 1 288.435 3.233 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c2ccccc21 ZINC001205093710 812859836 /nfs/dbraw/zinc/85/98/36/812859836.db2.gz FDEPZXFKXWBKOZ-MRXNPFEDSA-N 2 1 297.446 3.219 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205324841 812954572 /nfs/dbraw/zinc/95/45/72/812954572.db2.gz GVUPGQUEWARTBJ-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205324841 812954574 /nfs/dbraw/zinc/95/45/74/812954574.db2.gz GVUPGQUEWARTBJ-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1O)[NH+]1CCCCC1 ZINC001205390763 812977384 /nfs/dbraw/zinc/97/73/84/812977384.db2.gz DCPIFHMWFQGDEV-ZDUSSCGKSA-N 2 1 296.842 3.400 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1C[NH3+] ZINC001205636003 813035942 /nfs/dbraw/zinc/03/59/42/813035942.db2.gz BQLPOSMDYXVFDE-ZBFHGGJFSA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001206318931 813287390 /nfs/dbraw/zinc/28/73/90/813287390.db2.gz VGFRMSKPFMUQJG-IBGZPJMESA-N 2 1 298.430 3.496 20 10 CGCDMP Cc1c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206616817 813375593 /nfs/dbraw/zinc/37/55/93/813375593.db2.gz QTDSTRRRPRMVOA-HNNXBMFYSA-N 2 1 285.435 3.048 20 10 CGCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001206639585 813382217 /nfs/dbraw/zinc/38/22/17/813382217.db2.gz FINHCCKASAKQNS-AWEZNQCLSA-N 2 1 284.403 3.106 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222435862 816445459 /nfs/dbraw/zinc/44/54/59/816445459.db2.gz UDLZLCHQHFGTOC-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222435862 816445460 /nfs/dbraw/zinc/44/54/60/816445460.db2.gz UDLZLCHQHFGTOC-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1O ZINC001231593892 818131932 /nfs/dbraw/zinc/13/19/32/818131932.db2.gz WHYPVEHWDZFBKS-UHFFFAOYSA-N 2 1 290.451 3.253 20 10 CGCDMP CC[NH2+]C1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235724634 819153899 /nfs/dbraw/zinc/15/38/99/819153899.db2.gz AREVRGHAFNINIT-UHFFFAOYSA-N 2 1 290.451 3.264 20 10 CGCDMP CC[NH2+]C1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001235727045 819155234 /nfs/dbraw/zinc/15/52/34/819155234.db2.gz VRMSHVCMQJDRDP-UHFFFAOYSA-N 2 1 290.451 3.264 20 10 CGCDMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044553 819281807 /nfs/dbraw/zinc/28/18/07/819281807.db2.gz NSOAVWPIIRBMQO-HOCLYGCPSA-N 2 1 297.446 3.075 20 10 CGCDMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044553 819281813 /nfs/dbraw/zinc/28/18/13/819281813.db2.gz NSOAVWPIIRBMQO-HOCLYGCPSA-N 2 1 297.446 3.075 20 10 CGCDMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236418218 819464498 /nfs/dbraw/zinc/46/44/98/819464498.db2.gz YMMHFAWNBIBNPQ-MRXNPFEDSA-N 2 1 297.446 3.090 20 10 CGCDMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236418218 819464499 /nfs/dbraw/zinc/46/44/99/819464499.db2.gz YMMHFAWNBIBNPQ-MRXNPFEDSA-N 2 1 297.446 3.090 20 10 CGCDMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236421325 819467741 /nfs/dbraw/zinc/46/77/41/819467741.db2.gz UFLFXDPXFDPGMA-SWLSCSKDSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236421325 819467744 /nfs/dbraw/zinc/46/77/44/819467744.db2.gz UFLFXDPXFDPGMA-SWLSCSKDSA-N 2 1 276.424 3.001 20 10 CGCDMP Nc1ccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236574291 819540550 /nfs/dbraw/zinc/54/05/50/819540550.db2.gz MSWGJGDGYNHMRS-SAABIXHNSA-N 2 1 287.451 3.283 20 10 CGCDMP CN1CCC([N@@H+](C)Cc2cc3ccccc3cc2O)CC1 ZINC001236831571 819611750 /nfs/dbraw/zinc/61/17/50/819611750.db2.gz AOPYJPCILJAIIE-UHFFFAOYSA-N 2 1 284.403 3.071 20 10 CGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccccc1O ZINC000179877743 373934552 /nfs/dbraw/zinc/93/45/52/373934552.db2.gz LJDPDWMJFWVEFZ-CYBMUJFWSA-N 2 1 273.380 3.028 20 10 CGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000479435675 375151791 /nfs/dbraw/zinc/15/17/91/375151791.db2.gz GSFPXCNEXMQHBB-JJRVBVJISA-N 2 1 299.462 3.305 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(F)cc1O ZINC000286207537 380176275 /nfs/dbraw/zinc/17/62/75/380176275.db2.gz RWNIHEZZESKKQF-KNXALSJPSA-N 2 1 292.398 3.055 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000130162383 260393107 /nfs/dbraw/zinc/39/31/07/260393107.db2.gz PBWIGZJHVHVKLH-QILLFSRXSA-N 2 1 287.451 3.030 20 10 CGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185347236 262051749 /nfs/dbraw/zinc/05/17/49/262051749.db2.gz IGGXYACRGMAUJZ-NWDGAFQWSA-N 2 1 291.370 3.023 20 10 CGCDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1O ZINC000229546841 333306171 /nfs/dbraw/zinc/30/61/71/333306171.db2.gz XAASXKTYYZPYGC-HNNXBMFYSA-N 2 1 264.413 3.163 20 10 CGCDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1O ZINC000895683635 619872551 /nfs/dbraw/zinc/87/25/51/619872551.db2.gz PYGNZQKBIIXOBY-UHFFFAOYSA-N 2 1 294.414 3.229 20 10 CGCDMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000766241203 627306347 /nfs/dbraw/zinc/30/63/47/627306347.db2.gz CQSRLLVJAWNSTG-UHFFFAOYSA-N 2 1 299.418 3.342 20 10 CGCDMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000766241203 627306348 /nfs/dbraw/zinc/30/63/48/627306348.db2.gz CQSRLLVJAWNSTG-UHFFFAOYSA-N 2 1 299.418 3.342 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000775504496 628101583 /nfs/dbraw/zinc/10/15/83/628101583.db2.gz ZCDRWZDOXLREAC-IUODEOHRSA-N 2 1 296.842 3.428 20 10 CGCDMP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1ccc(F)cc1O ZINC000796662935 629812171 /nfs/dbraw/zinc/81/21/71/629812171.db2.gz JAOSDXFKYZUDKT-HNNXBMFYSA-N 2 1 282.403 3.304 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816538214 632006273 /nfs/dbraw/zinc/00/62/73/632006273.db2.gz JIZCZNAVWAPENT-HNNXBMFYSA-N 2 1 298.430 3.367 20 10 CGCDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816592062 632019546 /nfs/dbraw/zinc/01/95/46/632019546.db2.gz WWFBUXUDVQFVSR-QGZVFWFLSA-N 2 1 298.430 3.462 20 10 CGCDMP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Cl)c(Cl)cc1O ZINC000817977823 632268513 /nfs/dbraw/zinc/26/85/13/632268513.db2.gz PYJPMJTUEFATEA-DTWKUNHWSA-N 2 1 291.222 3.477 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035744 634327078 /nfs/dbraw/zinc/32/70/78/634327078.db2.gz KLSGQTDHDGDSHT-VURMDHGXSA-N 2 1 289.467 3.086 20 10 CGCDMP [NH3+]CCC[C@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000841086104 635119793 /nfs/dbraw/zinc/11/97/93/635119793.db2.gz CSYFCPGDLPERLJ-INIZCTEOSA-N 2 1 288.366 3.101 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843056497 635552933 /nfs/dbraw/zinc/55/29/33/635552933.db2.gz NRXNQAFCLPGILL-UHFFFAOYSA-N 2 1 289.467 3.235 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490721 638740702 /nfs/dbraw/zinc/74/07/02/638740702.db2.gz MOJOMINCHYBOAR-CVEARBPZSA-N 2 1 289.467 3.135 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000858490439 638741340 /nfs/dbraw/zinc/74/13/40/638741340.db2.gz HJQOQOXKQHKBRV-CHWSQXEVSA-N 2 1 296.842 3.428 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1O ZINC000700817661 799880421 /nfs/dbraw/zinc/88/04/21/799880421.db2.gz DWBIOAATVKASTB-HOCLYGCPSA-N 2 1 276.424 3.165 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(O)c1 ZINC001206810529 813443749 /nfs/dbraw/zinc/44/37/49/813443749.db2.gz NQGPGNGNSZFWGC-KBPBESRZSA-N 2 1 276.424 3.075 20 10 CGCDMP CCC(CC)[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258582 804172116 /nfs/dbraw/zinc/17/21/16/804172116.db2.gz TYLUEWZSOPGUNA-UHFFFAOYSA-N 2 1 294.439 3.083 20 10 CGCDMP CC[NH+](CC)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140949709 804556496 /nfs/dbraw/zinc/55/64/96/804556496.db2.gz ITZDYHFMOVXKRE-UHFFFAOYSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205281813 812930293 /nfs/dbraw/zinc/93/02/93/812930293.db2.gz YNWIPPLJUKNKIP-HNNXBMFYSA-N 2 1 282.815 3.057 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1O ZINC001206326322 813290719 /nfs/dbraw/zinc/29/07/19/813290719.db2.gz NFMOEPRCCXWWAK-MRXNPFEDSA-N 2 1 296.842 3.305 20 10 CGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235681739 819140551 /nfs/dbraw/zinc/14/05/51/819140551.db2.gz PUFVUHGBYSWMPA-UHFFFAOYSA-N 2 1 292.467 3.463 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236214702 819379140 /nfs/dbraw/zinc/37/91/40/819379140.db2.gz DTZITHLSZAVRJE-UONOGXRCSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236214702 819379147 /nfs/dbraw/zinc/37/91/47/819379147.db2.gz DTZITHLSZAVRJE-UONOGXRCSA-N 2 1 282.815 3.056 20 10 CGCDMP C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215685 819380804 /nfs/dbraw/zinc/38/08/04/819380804.db2.gz IBRPQXABWZTIDP-IAGOWNOFSA-N 2 1 284.403 3.247 20 10 CGCDMP CC[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1ccc(N(C)C)cc1 ZINC001236279915 819411197 /nfs/dbraw/zinc/41/11/97/819411197.db2.gz SYMKORSIAKLGAX-UHFFFAOYSA-N 2 1 297.446 3.233 20 10 CGCDMP Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001474211043 937844320 /nfs/dbraw/zinc/84/43/20/937844320.db2.gz KGQPCBQZRCALGE-INIZCTEOSA-N 2 1 299.462 3.308 20 10 CGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000113336292 370471560 /nfs/dbraw/zinc/47/15/60/370471560.db2.gz JBYVUMXVSAOCJL-ZDUSSCGKSA-N 2 1 296.842 3.256 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000293731484 372464950 /nfs/dbraw/zinc/46/49/50/372464950.db2.gz MZMDIGDBPRCVOX-LSDHHAIUSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000037318590 260086571 /nfs/dbraw/zinc/08/65/71/260086571.db2.gz CDRFFTKTZMGEKD-AWEZNQCLSA-N 2 1 287.451 3.030 20 10 CGCDMP Cc1ccc(O)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369207023 267226612 /nfs/dbraw/zinc/22/66/12/267226612.db2.gz WZMQBLAGNVEQOQ-UHFFFAOYSA-N 2 1 288.435 3.008 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1O ZINC000251250225 334358958 /nfs/dbraw/zinc/35/89/58/334358958.db2.gz MRQNQKGSIPYRBT-DZKIICNBSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C)cc1O ZINC000280156347 522821861 /nfs/dbraw/zinc/82/18/61/522821861.db2.gz QLICVTAZTAOCPN-MRXNPFEDSA-N 2 1 274.408 3.003 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000840912367 619123057 /nfs/dbraw/zinc/12/30/57/619123057.db2.gz FIUBWINOUCOGDO-UHFFFAOYSA-N 2 1 289.467 3.023 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1O ZINC000841744129 620345535 /nfs/dbraw/zinc/34/55/35/620345535.db2.gz FIIYFVBTWHLNMT-FPMFFAJLSA-N 2 1 294.826 3.323 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1O ZINC000841744129 620345537 /nfs/dbraw/zinc/34/55/37/620345537.db2.gz FIIYFVBTWHLNMT-FPMFFAJLSA-N 2 1 294.826 3.323 20 10 CGCDMP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841747577 620353321 /nfs/dbraw/zinc/35/33/21/620353321.db2.gz RHROQBIUSWWXLM-GFCCVEGCSA-N 2 1 296.842 3.428 20 10 CGCDMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCCC2)C1 ZINC000904334036 621908702 /nfs/dbraw/zinc/90/87/02/621908702.db2.gz JTKFMHNHDKTJDO-FZNQNYSPSA-N 2 1 288.435 3.264 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000775653613 628119835 /nfs/dbraw/zinc/11/98/35/628119835.db2.gz KGHCLEYAZSOAPP-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1O ZINC000775653613 628119837 /nfs/dbraw/zinc/11/98/37/628119837.db2.gz KGHCLEYAZSOAPP-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000775653613 628119840 /nfs/dbraw/zinc/11/98/40/628119840.db2.gz KGHCLEYAZSOAPP-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CCC[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775652393 628120598 /nfs/dbraw/zinc/12/05/98/628120598.db2.gz YWFWTTUUHVZGSL-INIZCTEOSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000796693789 629816031 /nfs/dbraw/zinc/81/60/31/629816031.db2.gz JGKZOBNLFUMFCJ-BBRMVZONSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808673082 630663126 /nfs/dbraw/zinc/66/31/26/630663126.db2.gz WTLPRGLSHHQPNM-LBPRGKRZSA-N 2 1 296.842 3.489 20 10 CGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000808692889 630665174 /nfs/dbraw/zinc/66/51/74/630665174.db2.gz BCIHVUWSCIWCGU-CHWSQXEVSA-N 2 1 296.842 3.346 20 10 CGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C)c1O ZINC000809749050 630799065 /nfs/dbraw/zinc/79/90/65/630799065.db2.gz AYAWOHMKMCTXRK-UHFFFAOYSA-N 2 1 284.831 3.128 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000815560921 631795228 /nfs/dbraw/zinc/79/52/28/631795228.db2.gz UHQMCZWKBDYCLA-XHSDSOJGSA-N 2 1 288.435 3.286 20 10 CGCDMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817966650 632261249 /nfs/dbraw/zinc/26/12/49/632261249.db2.gz SJRGTCDUKDGFBR-HUUCEWRRSA-N 2 1 275.440 3.065 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(O)c1 ZINC000834909283 634284055 /nfs/dbraw/zinc/28/40/55/634284055.db2.gz QJICTKIKALJFLZ-CQSZACIVSA-N 2 1 276.424 3.226 20 10 CGCDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877020563 634952203 /nfs/dbraw/zinc/95/22/03/634952203.db2.gz YDIWZWQNRPVDHW-UHFFFAOYSA-N 2 1 298.430 3.442 20 10 CGCDMP C[C@]1(C[N@@H+](Cc2ccccc2O)C2CCCC2)CC[NH2+]C1 ZINC000843064877 635555154 /nfs/dbraw/zinc/55/51/54/635555154.db2.gz ZPTPJXJNXROANO-SFHVURJKSA-N 2 1 288.435 3.136 20 10 CGCDMP CCc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1O ZINC000848880088 636670403 /nfs/dbraw/zinc/67/04/03/636670403.db2.gz CULWDKAXVYOOMS-UHFFFAOYSA-N 2 1 290.451 3.259 20 10 CGCDMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1c(O)cccc1F ZINC000886628676 637617939 /nfs/dbraw/zinc/61/79/39/637617939.db2.gz YTZSULFICQBBRM-HIFPTAJRSA-N 2 1 280.387 3.055 20 10 CGCDMP CC[NH+](CC)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000384582647 799417163 /nfs/dbraw/zinc/41/71/63/799417163.db2.gz SYQKPSRTIZMYIJ-UHFFFAOYSA-N 2 1 276.424 3.007 20 10 CGCDMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000715490840 800136133 /nfs/dbraw/zinc/13/61/33/800136133.db2.gz MTPUMHPPOFBLAP-XGNXJENSSA-N 2 1 280.387 3.055 20 10 CGCDMP Cc1c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c2ccccc2n1C ZINC001205618384 813029479 /nfs/dbraw/zinc/02/94/79/813029479.db2.gz VQGSCIKNLGTZCE-HOCLYGCPSA-N 2 1 299.462 3.294 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC001206026503 813170127 /nfs/dbraw/zinc/17/01/27/813170127.db2.gz SNWRGLXTHINKHE-GDBMZVCRSA-N 2 1 290.451 3.322 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1O ZINC001206326320 813290225 /nfs/dbraw/zinc/29/02/25/813290225.db2.gz NFMOEPRCCXWWAK-INIZCTEOSA-N 2 1 296.842 3.305 20 10 CGCDMP C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[NH2+]1 ZINC001210475794 814479527 /nfs/dbraw/zinc/47/95/27/814479527.db2.gz OVQHRZRJPHCDED-HNNXBMFYSA-N 2 1 297.446 3.090 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC[NH2+]1 ZINC001210475794 814479531 /nfs/dbraw/zinc/47/95/31/814479531.db2.gz OVQHRZRJPHCDED-HNNXBMFYSA-N 2 1 297.446 3.090 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[NH2+]1 ZINC001210498268 814491494 /nfs/dbraw/zinc/49/14/94/814491494.db2.gz QBLHPDPJVVWULO-OAHLLOKOSA-N 2 1 296.414 3.243 20 10 CGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC001235748635 819160831 /nfs/dbraw/zinc/16/08/31/819160831.db2.gz CTLNZXJMYFGJDF-NSHDSACASA-N 2 1 296.842 3.124 20 10 CGCDMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044552 819281860 /nfs/dbraw/zinc/28/18/60/819281860.db2.gz NSOAVWPIIRBMQO-GOEBONIOSA-N 2 1 297.446 3.075 20 10 CGCDMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044552 819281864 /nfs/dbraw/zinc/28/18/64/819281864.db2.gz NSOAVWPIIRBMQO-GOEBONIOSA-N 2 1 297.446 3.075 20 10 CGCDMP Oc1cccc2c1C[N@@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001236073893 819302367 /nfs/dbraw/zinc/30/23/67/819302367.db2.gz XMWXBLPEXHOJML-UHFFFAOYSA-N 2 1 288.435 3.063 20 10 CGCDMP C[N@@H+](Cc1cc2ccccc2cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217894 819383334 /nfs/dbraw/zinc/38/33/34/819383334.db2.gz QRKFVYDDCFTAMZ-IRXDYDNUSA-N 2 1 284.403 3.247 20 10 CGCDMP Nc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236300666 819416207 /nfs/dbraw/zinc/41/62/07/819416207.db2.gz JAXSTZFEAUVPNB-UHFFFAOYSA-N 2 1 295.430 3.023 20 10 CGCDMP CCC[N@H+](Cc1cc2ccccc2cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236844555 819620455 /nfs/dbraw/zinc/62/04/55/819620455.db2.gz WCTHQBVLQDOFFU-OAHLLOKOSA-N 2 1 298.430 3.367 20 10 CGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000113336290 370471515 /nfs/dbraw/zinc/47/15/15/370471515.db2.gz JBYVUMXVSAOCJL-CYBMUJFWSA-N 2 1 296.842 3.256 20 10 CGCDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295807382 372917348 /nfs/dbraw/zinc/91/73/48/372917348.db2.gz CLTYDFHULFAOOC-ZBFHGGJFSA-N 2 1 288.435 3.234 20 10 CGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185545481 374685269 /nfs/dbraw/zinc/68/52/69/374685269.db2.gz TYLRMVRGORCXOH-LBPRGKRZSA-N 2 1 291.370 3.167 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271825591 378508566 /nfs/dbraw/zinc/50/85/66/378508566.db2.gz CZUDHKBMJIEGRK-HNNXBMFYSA-N 2 1 287.451 3.055 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273300345 378740954 /nfs/dbraw/zinc/74/09/54/378740954.db2.gz BFJOFNHKWNQXTP-CQSZACIVSA-N 2 1 276.424 3.144 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C)cc1O ZINC000373561317 379297819 /nfs/dbraw/zinc/29/78/19/379297819.db2.gz MIGLQUSXDFWKAM-ZOBUZTSGSA-N 2 1 288.435 3.368 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000366433582 382308821 /nfs/dbraw/zinc/30/88/21/382308821.db2.gz OOZYUZNSGXWUNY-QQFBHYJXSA-N 2 1 288.435 3.368 20 10 CGCDMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295807376 392551013 /nfs/dbraw/zinc/55/10/13/392551013.db2.gz CLTYDFHULFAOOC-GOEBONIOSA-N 2 1 288.435 3.234 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000159274039 261182615 /nfs/dbraw/zinc/18/26/15/261182615.db2.gz QAANFWGDTIGQPG-HNNXBMFYSA-N 2 1 289.467 3.278 20 10 CGCDMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(N(C)C)cc1 ZINC000159294236 261183622 /nfs/dbraw/zinc/18/36/22/261183622.db2.gz SMJWESPSNRPQNP-GOSISDBHSA-N 2 1 289.467 3.278 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(O)c1C ZINC000278916574 525729417 /nfs/dbraw/zinc/72/94/17/525729417.db2.gz HJUAIIOBOJUHOS-CABCVRRESA-N 2 1 299.418 3.119 20 10 CGCDMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743954 620345084 /nfs/dbraw/zinc/34/50/84/620345084.db2.gz DMJUEDDIKCGPQP-NWDGAFQWSA-N 2 1 282.815 3.038 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743954 620345087 /nfs/dbraw/zinc/34/50/87/620345087.db2.gz DMJUEDDIKCGPQP-NWDGAFQWSA-N 2 1 282.815 3.038 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CC2([NH3+])CCCCC2)c(Cl)c1 ZINC000841040602 620518763 /nfs/dbraw/zinc/51/87/63/620518763.db2.gz VAFSRIWUNQFJNC-UHFFFAOYSA-N 2 1 282.815 3.105 20 10 CGCDMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1O ZINC000775413278 628092513 /nfs/dbraw/zinc/09/25/13/628092513.db2.gz ZWYPGGRTDODUSY-OAHLLOKOSA-N 2 1 273.380 3.028 20 10 CGCDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000862482372 629386414 /nfs/dbraw/zinc/38/64/14/629386414.db2.gz GXWPIHCOOHUYMN-OAHLLOKOSA-N 2 1 298.430 3.367 20 10 CGCDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000863541696 629602130 /nfs/dbraw/zinc/60/21/30/629602130.db2.gz AHVNPGBWLQSBGD-OAUYIBNBSA-N 2 1 284.403 3.337 20 10 CGCDMP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1ccc(F)cc1O ZINC000796662937 629812078 /nfs/dbraw/zinc/81/20/78/629812078.db2.gz JAOSDXFKYZUDKT-OAHLLOKOSA-N 2 1 282.403 3.304 20 10 CGCDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3c2O)CCN1C ZINC000816514796 632000090 /nfs/dbraw/zinc/00/00/90/632000090.db2.gz HSENTTWRGDGLOQ-RHSMWYFYSA-N 2 1 298.430 3.460 20 10 CGCDMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817952782 632247928 /nfs/dbraw/zinc/24/79/28/632247928.db2.gz MMFRZDRFJGZDTL-YUMQZZPRSA-N 2 1 277.195 3.087 20 10 CGCDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cc(F)ccc1O ZINC000817957895 632253346 /nfs/dbraw/zinc/25/33/46/632253346.db2.gz FWGBOXAGWAFJQS-NHYWBVRUSA-N 2 1 280.387 3.090 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000817962526 632257380 /nfs/dbraw/zinc/25/73/80/632257380.db2.gz JNWNHIIRVRYFCZ-WBVHZDCISA-N 2 1 277.456 3.311 20 10 CGCDMP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)c2c1c(F)ccc2O ZINC000817982698 632272903 /nfs/dbraw/zinc/27/29/03/632272903.db2.gz VNDBBNLPMXUIKA-LERXQTSPSA-N 2 1 292.398 3.187 20 10 CGCDMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000873060771 634238380 /nfs/dbraw/zinc/23/83/80/634238380.db2.gz MYBUGNYAHSMSLR-NVXWUHKLSA-N 2 1 290.451 3.356 20 10 CGCDMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(O)c1 ZINC000876625554 634869886 /nfs/dbraw/zinc/86/98/86/634869886.db2.gz YHPRVBKHRZETQZ-UHFFFAOYSA-N 2 1 290.451 3.253 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840884102 635073216 /nfs/dbraw/zinc/07/32/16/635073216.db2.gz IWCCTOQIROABJM-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841744614 635222811 /nfs/dbraw/zinc/22/28/11/635222811.db2.gz JGMKXRJWXRLLHE-STQMWFEESA-N 2 1 296.842 3.428 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841744614 635222819 /nfs/dbraw/zinc/22/28/19/635222819.db2.gz JGMKXRJWXRLLHE-STQMWFEESA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(O)c1C ZINC000858490087 638741277 /nfs/dbraw/zinc/74/12/77/638741277.db2.gz BAWFSWNVJQZOFA-JKSUJKDBSA-N 2 1 290.451 3.392 20 10 CGCDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000093742158 640780917 /nfs/dbraw/zinc/78/09/17/640780917.db2.gz BGAMIKOESWJECH-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000093742158 640780922 /nfs/dbraw/zinc/78/09/22/640780922.db2.gz BGAMIKOESWJECH-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093742158 640780927 /nfs/dbraw/zinc/78/09/27/640780927.db2.gz BGAMIKOESWJECH-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093742158 640780933 /nfs/dbraw/zinc/78/09/33/640780933.db2.gz BGAMIKOESWJECH-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000093742157 640781803 /nfs/dbraw/zinc/78/18/03/640781803.db2.gz BGAMIKOESWJECH-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000093742157 640781810 /nfs/dbraw/zinc/78/18/10/640781810.db2.gz BGAMIKOESWJECH-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093742157 640781819 /nfs/dbraw/zinc/78/18/19/640781819.db2.gz BGAMIKOESWJECH-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093742157 640781827 /nfs/dbraw/zinc/78/18/27/640781827.db2.gz BGAMIKOESWJECH-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392197344 799481337 /nfs/dbraw/zinc/48/13/37/799481337.db2.gz DZINHNAPYDUSTO-ZFWWWQNUSA-N 2 1 286.419 3.100 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1O ZINC001205651912 813041776 /nfs/dbraw/zinc/04/17/76/813041776.db2.gz LPWTXCRSQWCKDV-YPMHNXCESA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001206327459 813290000 /nfs/dbraw/zinc/29/00/00/813290000.db2.gz WQXGYPAFSAKBKU-LJQANCHMSA-N 2 1 298.430 3.496 20 10 CGCDMP CC(C)[N@@H+](Cc1c(O)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206589409 813365215 /nfs/dbraw/zinc/36/52/15/813365215.db2.gz GTYDCZSZJSVUAR-ZDUSSCGKSA-N 2 1 296.842 3.398 20 10 CGCDMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001206767898 813430269 /nfs/dbraw/zinc/43/02/69/813430269.db2.gz FYQDZIMFEUETTI-KGLIPLIRSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1O ZINC001235717030 819149856 /nfs/dbraw/zinc/14/98/56/819149856.db2.gz BIZUHUCIVUQBOQ-UHFFFAOYSA-N 2 1 296.842 3.176 20 10 CGCDMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(Cl)c(C)cc2O)CC1 ZINC001236215576 819378102 /nfs/dbraw/zinc/37/81/02/819378102.db2.gz PWXQODQXHQJUAM-UHFFFAOYSA-N 2 1 296.842 3.316 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236417743 819463244 /nfs/dbraw/zinc/46/32/44/819463244.db2.gz CXLCIWQBIXOIOE-LPHOPBHVSA-N 2 1 297.446 3.406 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236417743 819463248 /nfs/dbraw/zinc/46/32/48/819463248.db2.gz CXLCIWQBIXOIOE-LPHOPBHVSA-N 2 1 297.446 3.406 20 10 CGCDMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236420768 819467445 /nfs/dbraw/zinc/46/74/45/819467445.db2.gz NOZLDOPNXTXKGQ-IUODEOHRSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236420768 819467448 /nfs/dbraw/zinc/46/74/48/819467448.db2.gz NOZLDOPNXTXKGQ-IUODEOHRSA-N 2 1 276.424 3.001 20 10 CGCDMP CC(C)c1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001237046813 819650471 /nfs/dbraw/zinc/65/04/71/819650471.db2.gz GHEAONOSGVKMCR-UHFFFAOYSA-N 2 1 276.424 3.042 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001237046813 819650475 /nfs/dbraw/zinc/65/04/75/819650475.db2.gz GHEAONOSGVKMCR-UHFFFAOYSA-N 2 1 276.424 3.042 20 10 CGCDMP CCN(CC)c1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1F ZINC001461661555 937591189 /nfs/dbraw/zinc/59/11/89/937591189.db2.gz FVSNTYXCYKIMSK-AWEZNQCLSA-N 2 1 295.446 3.102 20 10 CGCDMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000180470448 374013353 /nfs/dbraw/zinc/01/33/53/374013353.db2.gz QEILDTOJDYIYPK-INIZCTEOSA-N 2 1 288.435 3.008 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1O ZINC000530217409 375939721 /nfs/dbraw/zinc/93/97/21/375939721.db2.gz SSRXUGDRSOVMIE-SUMWQHHRSA-N 2 1 296.414 3.481 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C)cc1O ZINC000373561315 379297850 /nfs/dbraw/zinc/29/78/50/379297850.db2.gz MIGLQUSXDFWKAM-VYDXJSESSA-N 2 1 288.435 3.368 20 10 CGCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179557195 392702019 /nfs/dbraw/zinc/70/20/19/392702019.db2.gz UMTQLXTUMLGOOT-UHFFFAOYSA-N 2 1 290.451 3.336 20 10 CGCDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000184897549 262032694 /nfs/dbraw/zinc/03/26/94/262032694.db2.gz XSSZJTMWJMPASH-CYBMUJFWSA-N 2 1 288.435 3.016 20 10 CGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185347257 262051916 /nfs/dbraw/zinc/05/19/16/262051916.db2.gz IGGXYACRGMAUJZ-VXGBXAGGSA-N 2 1 291.370 3.023 20 10 CGCDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1O ZINC000185650747 262064388 /nfs/dbraw/zinc/06/43/88/262064388.db2.gz DCMNNAQYWWXELE-UBHSHLNASA-N 2 1 280.387 3.055 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000280011096 519864077 /nfs/dbraw/zinc/86/40/77/519864077.db2.gz GRYYDKJIRKXZNE-NVXWUHKLSA-N 2 1 290.451 3.473 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000158180332 618619409 /nfs/dbraw/zinc/61/94/09/618619409.db2.gz LHADGTQBCDQMAF-CRAIPNDOSA-N 2 1 289.467 3.135 20 10 CGCDMP CCN(C)c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000773887543 627925470 /nfs/dbraw/zinc/92/54/70/627925470.db2.gz FVZUAKZOPCREFI-KRWDZBQOSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815553667 631794380 /nfs/dbraw/zinc/79/43/80/631794380.db2.gz GUELYCVHQNRCPH-AWEZNQCLSA-N 2 1 276.424 3.144 20 10 CGCDMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817944224 632242398 /nfs/dbraw/zinc/24/23/98/632242398.db2.gz ZZMUWOXSHJGSNL-SECBINFHSA-N 2 1 291.222 3.349 20 10 CGCDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958968 632254976 /nfs/dbraw/zinc/25/49/76/632254976.db2.gz NVEINIRFRQHDAE-MAUKXSAKSA-N 2 1 289.467 3.311 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000817963585 632258607 /nfs/dbraw/zinc/25/86/07/632258607.db2.gz VJHYEGLNUFHRFQ-ZIAGYGMSSA-N 2 1 264.413 3.177 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1O ZINC000817986864 632275720 /nfs/dbraw/zinc/27/57/20/632275720.db2.gz VAHVFFJBCYIZCK-ZFWWWQNUSA-N 2 1 292.398 3.247 20 10 CGCDMP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC000876563201 634859152 /nfs/dbraw/zinc/85/91/52/634859152.db2.gz ZEYDIMADYLPLIG-UHFFFAOYSA-N 2 1 288.435 3.151 20 10 CGCDMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1C ZINC000873015493 634232008 /nfs/dbraw/zinc/23/20/08/634232008.db2.gz MXIKSIYIESJMSF-QGZVFWFLSA-N 2 1 290.451 3.215 20 10 CGCDMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(O)c1 ZINC000876766898 634895213 /nfs/dbraw/zinc/89/52/13/634895213.db2.gz VRIKDKILUWAJSS-INIZCTEOSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(O)c1 ZINC000876766898 634895217 /nfs/dbraw/zinc/89/52/17/634895217.db2.gz VRIKDKILUWAJSS-INIZCTEOSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(O)c1 ZINC000876766898 634895222 /nfs/dbraw/zinc/89/52/22/634895222.db2.gz VRIKDKILUWAJSS-INIZCTEOSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127852 635562495 /nfs/dbraw/zinc/56/24/95/635562495.db2.gz JFOCULCICMWARS-CQSZACIVSA-N 2 1 294.826 3.118 20 10 CGCDMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1O ZINC000848888781 636675706 /nfs/dbraw/zinc/67/57/06/636675706.db2.gz ZILIFZRUXFZPNY-PBHICJAKSA-N 2 1 290.451 3.117 20 10 CGCDMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1O ZINC000848888781 636675711 /nfs/dbraw/zinc/67/57/11/636675711.db2.gz ZILIFZRUXFZPNY-PBHICJAKSA-N 2 1 290.451 3.117 20 10 CGCDMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1O ZINC000848888781 636675716 /nfs/dbraw/zinc/67/57/16/636675716.db2.gz ZILIFZRUXFZPNY-PBHICJAKSA-N 2 1 290.451 3.117 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(O)c1C ZINC000858490084 638739757 /nfs/dbraw/zinc/73/97/57/638739757.db2.gz BAWFSWNVJQZOFA-CVEARBPZSA-N 2 1 290.451 3.392 20 10 CGCDMP CCN(CC)c1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091671886 798954740 /nfs/dbraw/zinc/95/47/40/798954740.db2.gz CEPQABUSQRIQKN-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP Cc1c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc2n1C ZINC001138257920 803884496 /nfs/dbraw/zinc/88/44/96/803884496.db2.gz CUGGJGQICHQQLB-LJQANCHMSA-N 2 1 297.446 3.014 20 10 CGCDMP Cc1c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001138257920 803884506 /nfs/dbraw/zinc/88/45/06/803884506.db2.gz CUGGJGQICHQQLB-LJQANCHMSA-N 2 1 297.446 3.014 20 10 CGCDMP Cc1c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001138257920 803884516 /nfs/dbraw/zinc/88/45/16/803884516.db2.gz CUGGJGQICHQQLB-LJQANCHMSA-N 2 1 297.446 3.014 20 10 CGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2O)CC1 ZINC001140954051 804557747 /nfs/dbraw/zinc/55/77/47/804557747.db2.gz KBXDSBVUJFMGQK-UHFFFAOYSA-N 2 1 290.451 3.397 20 10 CGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(C)C)cc1O ZINC001276815789 809032304 /nfs/dbraw/zinc/03/23/04/809032304.db2.gz ZWOQLLGNRIVJQC-ALOPSCKCSA-N 2 1 288.435 3.230 20 10 CGCDMP COc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cc1C ZINC001179081126 809903221 /nfs/dbraw/zinc/90/32/21/809903221.db2.gz AIGBYEPHPJAKED-UHFFFAOYSA-N 2 1 278.440 3.071 20 10 CGCDMP COc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1C ZINC001179081126 809903223 /nfs/dbraw/zinc/90/32/23/809903223.db2.gz AIGBYEPHPJAKED-UHFFFAOYSA-N 2 1 278.440 3.071 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1O ZINC001205288636 812931765 /nfs/dbraw/zinc/93/17/65/812931765.db2.gz MJMKQFHBJLFAFK-OAHLLOKOSA-N 2 1 282.815 3.057 20 10 CGCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001205914156 813131531 /nfs/dbraw/zinc/13/15/31/813131531.db2.gz LGRUBKPBGWTHJD-ZIAGYGMSSA-N 2 1 290.451 3.249 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001222153798 816361991 /nfs/dbraw/zinc/36/19/91/816361991.db2.gz ACFGWCRPXWWDFM-SFHVURJKSA-N 2 1 288.435 3.091 20 10 CGCDMP CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222360560 816419217 /nfs/dbraw/zinc/41/92/17/816419217.db2.gz RYCVEBHWVJWUNU-SFHVURJKSA-N 2 1 288.435 3.234 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222360560 816419220 /nfs/dbraw/zinc/41/92/20/816419220.db2.gz RYCVEBHWVJWUNU-SFHVURJKSA-N 2 1 288.435 3.234 20 10 CGCDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1O ZINC001222390481 816429169 /nfs/dbraw/zinc/42/91/69/816429169.db2.gz PTDQIEDLRYCIHD-GOSISDBHSA-N 2 1 288.435 3.117 20 10 CGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1O ZINC001222390481 816429174 /nfs/dbraw/zinc/42/91/74/816429174.db2.gz PTDQIEDLRYCIHD-GOSISDBHSA-N 2 1 288.435 3.117 20 10 CGCDMP C[N@H+](Cc1ccc(C(C)(C)C)cc1O)C1CC[NH+](C)CC1 ZINC001235676962 819137081 /nfs/dbraw/zinc/13/70/81/819137081.db2.gz YSGCROZOLJHHOE-UHFFFAOYSA-N 2 1 290.451 3.216 20 10 CGCDMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C1CC[NH+](C)CC1 ZINC001235676962 819137087 /nfs/dbraw/zinc/13/70/87/819137087.db2.gz YSGCROZOLJHHOE-UHFFFAOYSA-N 2 1 290.451 3.216 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(O)c1 ZINC001236219219 819387073 /nfs/dbraw/zinc/38/70/73/819387073.db2.gz USHJFGABQXOEIQ-HZPDHXFCSA-N 2 1 276.424 3.217 20 10 CGCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236421323 819468421 /nfs/dbraw/zinc/46/84/21/819468421.db2.gz UFLFXDPXFDPGMA-DOMZBBRYSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236421323 819468425 /nfs/dbraw/zinc/46/84/25/819468425.db2.gz UFLFXDPXFDPGMA-DOMZBBRYSA-N 2 1 276.424 3.001 20 10 CGCDMP CCc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(O)c1 ZINC001236783633 819593766 /nfs/dbraw/zinc/59/37/66/819593766.db2.gz NMKBJDURNZYBLE-UHFFFAOYSA-N 2 1 288.435 3.015 20 10 CGCDMP CCC[N@H+](Cc1cc2ccccc2cc1O)C[C@H]1CC[NH2+]C1 ZINC001236844552 819620420 /nfs/dbraw/zinc/62/04/20/819620420.db2.gz WCTHQBVLQDOFFU-HNNXBMFYSA-N 2 1 298.430 3.367 20 10 CGCDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054286 819653755 /nfs/dbraw/zinc/65/37/55/819653755.db2.gz UPJVMKUUYARILS-UHFFFAOYSA-N 2 1 290.451 3.432 20 10 CGCDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054286 819653761 /nfs/dbraw/zinc/65/37/61/819653761.db2.gz UPJVMKUUYARILS-UHFFFAOYSA-N 2 1 290.451 3.432 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001333421004 935535120 /nfs/dbraw/zinc/53/51/20/935535120.db2.gz IXGBRDXXMOSWPF-CVEARBPZSA-N 2 1 289.467 3.135 20 10 CGCDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000185358080 374646624 /nfs/dbraw/zinc/64/66/24/374646624.db2.gz AOGBEMOYYXGCTA-KBPBESRZSA-N 2 1 294.414 3.302 20 10 CGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000185358080 374646633 /nfs/dbraw/zinc/64/66/33/374646633.db2.gz AOGBEMOYYXGCTA-KBPBESRZSA-N 2 1 294.414 3.302 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(O)c1C ZINC000273439702 378745156 /nfs/dbraw/zinc/74/51/56/378745156.db2.gz YCESRJWEPVHWEZ-HUUCEWRRSA-N 2 1 288.435 3.144 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000273563035 378751927 /nfs/dbraw/zinc/75/19/27/378751927.db2.gz IRWCZZSWEHOBGU-CQSZACIVSA-N 2 1 288.435 3.368 20 10 CGCDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000286319110 380195221 /nfs/dbraw/zinc/19/52/21/380195221.db2.gz XNGVNUHWYSTCAO-XJKSGUPXSA-N 2 1 294.414 3.304 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000286319110 380195229 /nfs/dbraw/zinc/19/52/29/380195229.db2.gz XNGVNUHWYSTCAO-XJKSGUPXSA-N 2 1 294.414 3.304 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1O ZINC000184997369 262036591 /nfs/dbraw/zinc/03/65/91/262036591.db2.gz AUZQETQTTFSGKQ-NEPJUHHUSA-N 2 1 294.826 3.181 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(O)c1 ZINC000230658214 333319719 /nfs/dbraw/zinc/31/97/19/333319719.db2.gz RWPMOWNLMIZOGP-CQSZACIVSA-N 2 1 264.413 3.082 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248746273 618747070 /nfs/dbraw/zinc/74/70/70/618747070.db2.gz DNSCSTPWNSWFFA-HKUYNNGSSA-N 2 1 299.462 3.003 20 10 CGCDMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000898215321 620488674 /nfs/dbraw/zinc/48/86/74/620488674.db2.gz LGJOTNPHWSCKAN-LBPRGKRZSA-N 2 1 282.815 3.008 20 10 CGCDMP CN1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000898215321 620488676 /nfs/dbraw/zinc/48/86/76/620488676.db2.gz LGJOTNPHWSCKAN-LBPRGKRZSA-N 2 1 282.815 3.008 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756430762 626705709 /nfs/dbraw/zinc/70/57/09/626705709.db2.gz KZQLGQMQKNSWMK-OUCADQQQSA-N 2 1 292.398 3.011 20 10 CGCDMP CCC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1O ZINC000760830544 626994617 /nfs/dbraw/zinc/99/46/17/626994617.db2.gz HXFKIVXJIXQTJC-QGZVFWFLSA-N 2 1 290.451 3.479 20 10 CGCDMP CCC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1O ZINC000760830544 626994620 /nfs/dbraw/zinc/99/46/20/626994620.db2.gz HXFKIVXJIXQTJC-QGZVFWFLSA-N 2 1 290.451 3.479 20 10 CGCDMP CCC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1O ZINC000760830544 626994623 /nfs/dbraw/zinc/99/46/23/626994623.db2.gz HXFKIVXJIXQTJC-QGZVFWFLSA-N 2 1 290.451 3.479 20 10 CGCDMP CCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000773756981 627911334 /nfs/dbraw/zinc/91/13/34/627911334.db2.gz XYFBWJHFDJQQLW-YJBOKZPZSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000773756981 627911336 /nfs/dbraw/zinc/91/13/36/627911336.db2.gz XYFBWJHFDJQQLW-YJBOKZPZSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000773756981 627911340 /nfs/dbraw/zinc/91/13/40/627911340.db2.gz XYFBWJHFDJQQLW-YJBOKZPZSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000773756981 627911341 /nfs/dbraw/zinc/91/13/41/627911341.db2.gz XYFBWJHFDJQQLW-YJBOKZPZSA-N 2 1 289.467 3.057 20 10 CGCDMP CCN(C)c1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000773771842 627913819 /nfs/dbraw/zinc/91/38/19/627913819.db2.gz IPGWLQAAKVTPLG-UHFFFAOYSA-N 2 1 289.467 3.105 20 10 CGCDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000863542982 629602005 /nfs/dbraw/zinc/60/20/05/629602005.db2.gz JDIQSDFXGRRUKT-AFAVFJNCSA-N 2 1 288.435 3.062 20 10 CGCDMP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000817943764 632242021 /nfs/dbraw/zinc/24/20/21/632242021.db2.gz SIQFWZPEPAKGJW-JTQLQIEISA-N 2 1 290.329 3.061 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817949897 632247077 /nfs/dbraw/zinc/24/70/77/632247077.db2.gz OUWNPXKGBLDDKS-CZUORRHYSA-N 2 1 288.435 3.064 20 10 CGCDMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970365 632265238 /nfs/dbraw/zinc/26/52/38/632265238.db2.gz SJRGTCDUKDGFBR-GJZGRUSLSA-N 2 1 275.440 3.065 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000846179219 636154570 /nfs/dbraw/zinc/15/45/70/636154570.db2.gz YZBCHVBVBHWTGB-HNNXBMFYSA-N 2 1 278.440 3.329 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000834909262 634284668 /nfs/dbraw/zinc/28/46/68/634284668.db2.gz PYCGRLANLBYWMY-CQSZACIVSA-N 2 1 276.424 3.226 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1C ZINC000873223801 634291182 /nfs/dbraw/zinc/29/11/82/634291182.db2.gz SMDBAJRMKVSZPX-GOSISDBHSA-N 2 1 290.451 3.206 20 10 CGCDMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(O)c1 ZINC000876933243 634930554 /nfs/dbraw/zinc/93/05/54/634930554.db2.gz JWARBAJNTIVRAD-INIZCTEOSA-N 2 1 290.451 3.302 20 10 CGCDMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)cc1O ZINC000841745314 635221682 /nfs/dbraw/zinc/22/16/82/635221682.db2.gz XLELZRDFHNQSSA-GFCCVEGCSA-N 2 1 282.815 3.182 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1O ZINC000848556741 636604419 /nfs/dbraw/zinc/60/44/19/636604419.db2.gz CDXRKNGBEOLQEU-WZRBSPASSA-N 2 1 282.815 3.036 20 10 CGCDMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1O ZINC000848888154 636676784 /nfs/dbraw/zinc/67/67/84/636676784.db2.gz NOHDNERIJXNLDD-PBHICJAKSA-N 2 1 290.451 3.259 20 10 CGCDMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1O ZINC000848888154 636676787 /nfs/dbraw/zinc/67/67/87/636676787.db2.gz NOHDNERIJXNLDD-PBHICJAKSA-N 2 1 290.451 3.259 20 10 CGCDMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1O ZINC000848888154 636676800 /nfs/dbraw/zinc/67/68/00/636676800.db2.gz NOHDNERIJXNLDD-PBHICJAKSA-N 2 1 290.451 3.259 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001118122706 802526600 /nfs/dbraw/zinc/52/66/00/802526600.db2.gz ZRAYEVUDJZCINT-BFHYXJOUSA-N 2 1 276.424 3.356 20 10 CGCDMP CC[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140301861 804408730 /nfs/dbraw/zinc/40/87/30/804408730.db2.gz BQNRKDQCNIWBCO-MRXNPFEDSA-N 2 1 289.467 3.059 20 10 CGCDMP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001257310323 807099795 /nfs/dbraw/zinc/09/97/95/807099795.db2.gz BAJXSBORYLERBU-CQSZACIVSA-N 2 1 276.424 3.135 20 10 CGCDMP C[C@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258455320 807460855 /nfs/dbraw/zinc/46/08/55/807460855.db2.gz YNSYJCYYDXPHBY-CQSZACIVSA-N 2 1 288.435 3.135 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)CC[C@H]1C[NH3+] ZINC001205651524 813042234 /nfs/dbraw/zinc/04/22/34/813042234.db2.gz GDIWXDIYNVPYBG-YOEHRIQHSA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001205914132 813131367 /nfs/dbraw/zinc/13/13/67/813131367.db2.gz LGRUBKPBGWTHJD-UONOGXRCSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001205917511 813132272 /nfs/dbraw/zinc/13/22/72/813132272.db2.gz ZLTKWXKVLHWXIF-UONOGXRCSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c2ccccc2n1C ZINC001206304476 813279753 /nfs/dbraw/zinc/27/97/53/813279753.db2.gz LHLYTAQCBNOVQB-LJQANCHMSA-N 2 1 299.462 3.438 20 10 CGCDMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1N(C)C ZINC001206556781 813351462 /nfs/dbraw/zinc/35/14/62/813351462.db2.gz XEJRZVZUZFIWIO-GOSISDBHSA-N 2 1 289.467 3.012 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1O ZINC001206574214 813358953 /nfs/dbraw/zinc/35/89/53/813358953.db2.gz QSAJOBFQAJUQQH-INIZCTEOSA-N 2 1 296.842 3.305 20 10 CGCDMP Cc1c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c2ccccc2n1C ZINC001222244249 816384248 /nfs/dbraw/zinc/38/42/48/816384248.db2.gz VVPKKTAMECZTCF-IBGZPJMESA-N 2 1 297.446 3.205 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c2ccccc2n1C ZINC001222244249 816384256 /nfs/dbraw/zinc/38/42/56/816384256.db2.gz VVPKKTAMECZTCF-IBGZPJMESA-N 2 1 297.446 3.205 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(O)c1 ZINC001235718330 819151450 /nfs/dbraw/zinc/15/14/50/819151450.db2.gz YKWGTZPOYDSCQV-UHFFFAOYSA-N 2 1 290.451 3.337 20 10 CGCDMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235902871 819211658 /nfs/dbraw/zinc/21/16/58/819211658.db2.gz GWCLJASQRNDVBG-IUODEOHRSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235902871 819211661 /nfs/dbraw/zinc/21/16/61/819211661.db2.gz GWCLJASQRNDVBG-IUODEOHRSA-N 2 1 276.424 3.001 20 10 CGCDMP CCC[N@@H+](Cc1ccc(C(C)C)cc1O)C1CC[NH2+]CC1 ZINC001236184996 819359889 /nfs/dbraw/zinc/35/98/89/819359889.db2.gz QUDCOFAILLXCPM-UHFFFAOYSA-N 2 1 290.451 3.480 20 10 CGCDMP C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219643 819386267 /nfs/dbraw/zinc/38/62/67/819386267.db2.gz XCVBUINXDAVXFY-CVEARBPZSA-N 2 1 290.451 3.391 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236242365 819401568 /nfs/dbraw/zinc/40/15/68/819401568.db2.gz WPVPHFVONAHQMC-INIZCTEOSA-N 2 1 296.414 3.262 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236242365 819401570 /nfs/dbraw/zinc/40/15/70/819401570.db2.gz WPVPHFVONAHQMC-INIZCTEOSA-N 2 1 296.414 3.262 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC001325339880 934905853 /nfs/dbraw/zinc/90/58/53/934905853.db2.gz LOKVRBCEYZZETB-CABCVRRESA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C[NH3+])CC(C)C ZINC001331837133 935413598 /nfs/dbraw/zinc/41/35/98/935413598.db2.gz ZPIKSSGMBCWJAN-HZSPNIEDSA-N 2 1 276.424 3.212 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC001575858997 962420361 /nfs/dbraw/zinc/42/03/61/962420361.db2.gz WDRLERMFBQVPJZ-XIRDDKMYSA-N 2 1 288.435 3.075 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000180424394 346254521 /nfs/dbraw/zinc/25/45/21/346254521.db2.gz NDMQFPFATKQHCL-DOMZBBRYSA-N 2 1 296.842 3.269 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000180424394 346254524 /nfs/dbraw/zinc/25/45/24/346254524.db2.gz NDMQFPFATKQHCL-DOMZBBRYSA-N 2 1 296.842 3.269 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000180424394 346254526 /nfs/dbraw/zinc/25/45/26/346254526.db2.gz NDMQFPFATKQHCL-DOMZBBRYSA-N 2 1 296.842 3.269 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000180424394 346254529 /nfs/dbraw/zinc/25/45/29/346254529.db2.gz NDMQFPFATKQHCL-DOMZBBRYSA-N 2 1 296.842 3.269 20 10 CGCDMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1O ZINC000294704634 372668705 /nfs/dbraw/zinc/66/87/05/372668705.db2.gz BMVUEEDPVCQUQV-NQKGRLOXSA-N 2 1 274.408 3.058 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(O)c1 ZINC000185358298 374645622 /nfs/dbraw/zinc/64/56/22/374645622.db2.gz NWDLZDHDJAOJCB-CVEARBPZSA-N 2 1 290.451 3.472 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(O)c1 ZINC000185358356 374647101 /nfs/dbraw/zinc/64/71/01/374647101.db2.gz NWDLZDHDJAOJCB-JKSUJKDBSA-N 2 1 290.451 3.472 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(O)c1C ZINC000273439693 378745944 /nfs/dbraw/zinc/74/59/44/378745944.db2.gz YCESRJWEPVHWEZ-CABCVRRESA-N 2 1 288.435 3.144 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164424244 622834669 /nfs/dbraw/zinc/83/46/69/622834669.db2.gz BVLVDDZUVNTWKS-INIZCTEOSA-N 2 1 290.451 3.173 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164424244 622834670 /nfs/dbraw/zinc/83/46/70/622834670.db2.gz BVLVDDZUVNTWKS-INIZCTEOSA-N 2 1 290.451 3.173 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469565 627556750 /nfs/dbraw/zinc/55/67/50/627556750.db2.gz AEVNMMGIVDYEKF-CRAIPNDOSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469565 627556753 /nfs/dbraw/zinc/55/67/53/627556753.db2.gz AEVNMMGIVDYEKF-CRAIPNDOSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469565 627556755 /nfs/dbraw/zinc/55/67/55/627556755.db2.gz AEVNMMGIVDYEKF-CRAIPNDOSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000775504497 628102024 /nfs/dbraw/zinc/10/20/24/628102024.db2.gz ZCDRWZDOXLREAC-SWLSCSKDSA-N 2 1 296.842 3.428 20 10 CGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808678790 630663616 /nfs/dbraw/zinc/66/36/16/630663616.db2.gz WASUQIGSYXZADV-OLZOCXBDSA-N 2 1 296.842 3.346 20 10 CGCDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816610267 632023606 /nfs/dbraw/zinc/02/36/06/632023606.db2.gz DWMBZXDTDPMVHW-HNNXBMFYSA-N 2 1 298.430 3.365 20 10 CGCDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cc(F)ccc1O ZINC000817957891 632253037 /nfs/dbraw/zinc/25/30/37/632253037.db2.gz FWGBOXAGWAFJQS-ABAIWWIYSA-N 2 1 280.387 3.090 20 10 CGCDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978810 632270026 /nfs/dbraw/zinc/27/00/26/632270026.db2.gz DZJIFWBDWCNQBO-HOCLYGCPSA-N 2 1 275.440 3.065 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840886331 635074536 /nfs/dbraw/zinc/07/45/36/635074536.db2.gz CDKFHGMHVVXOSI-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP Cc1cc(O)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000840887752 635075470 /nfs/dbraw/zinc/07/54/70/635075470.db2.gz OORMTBNCFWRPLR-CYBMUJFWSA-N 2 1 296.842 3.174 20 10 CGCDMP CCCN(CCC)c1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000841031379 635109244 /nfs/dbraw/zinc/10/92/44/635109244.db2.gz RYRQEMXWNKGPET-UHFFFAOYSA-N 2 1 277.456 3.140 20 10 CGCDMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1O ZINC000848888783 636677190 /nfs/dbraw/zinc/67/71/90/636677190.db2.gz ZILIFZRUXFZPNY-RHSMWYFYSA-N 2 1 290.451 3.117 20 10 CGCDMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1O ZINC000848888783 636677199 /nfs/dbraw/zinc/67/71/99/636677199.db2.gz ZILIFZRUXFZPNY-RHSMWYFYSA-N 2 1 290.451 3.117 20 10 CGCDMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1O ZINC000848888783 636677204 /nfs/dbraw/zinc/67/72/04/636677204.db2.gz ZILIFZRUXFZPNY-RHSMWYFYSA-N 2 1 290.451 3.117 20 10 CGCDMP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886532867 637558265 /nfs/dbraw/zinc/55/82/65/637558265.db2.gz QBSAQCSUYHDAIC-ZDUSSCGKSA-N 2 1 294.414 3.304 20 10 CGCDMP Cc1cc(O)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(Cl)c1 ZINC000858245625 638663120 /nfs/dbraw/zinc/66/31/20/638663120.db2.gz KONQOLGOPNLJQY-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP CC[NH+](CC)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000121723542 798989127 /nfs/dbraw/zinc/98/91/27/798989127.db2.gz HITJQENVGFSYAO-UHFFFAOYSA-N 2 1 276.424 3.007 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205110510 812871532 /nfs/dbraw/zinc/87/15/32/812871532.db2.gz UPBCCIIYCIEDIS-AWEZNQCLSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288359 812931722 /nfs/dbraw/zinc/93/17/22/812931722.db2.gz JMNRQLCOVMVSCN-SFHVURJKSA-N 2 1 290.451 3.393 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(O)c1 ZINC001205591181 813014960 /nfs/dbraw/zinc/01/49/60/813014960.db2.gz GGLPPKQJURDMAJ-QGZVFWFLSA-N 2 1 294.414 3.169 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206318910 813286834 /nfs/dbraw/zinc/28/68/34/813286834.db2.gz VCLCEHCXQRXPMC-MRXNPFEDSA-N 2 1 296.842 3.305 20 10 CGCDMP CC(C)[N@H+](Cc1ccc(Cl)cc1O)[C@@H]1CCC[NH2+]CC1 ZINC001206590417 813367229 /nfs/dbraw/zinc/36/72/29/813367229.db2.gz LMKBJJHKNGNVAG-OAHLLOKOSA-N 2 1 296.842 3.398 20 10 CGCDMP CC(C)[N@@H+](Cc1ccc(Cl)cc1O)[C@@H]1CCC[NH2+]CC1 ZINC001206590417 813367235 /nfs/dbraw/zinc/36/72/35/813367235.db2.gz LMKBJJHKNGNVAG-OAHLLOKOSA-N 2 1 296.842 3.398 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001207174020 813505005 /nfs/dbraw/zinc/50/50/05/813505005.db2.gz GNGJPDINTPVKGG-DOTOQJQBSA-N 2 1 288.435 3.042 20 10 CGCDMP Oc1ccccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161840 816366357 /nfs/dbraw/zinc/36/63/57/816366357.db2.gz RJLSOWARUNYZGY-GOSISDBHSA-N 2 1 288.435 3.138 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222236791 816381977 /nfs/dbraw/zinc/38/19/77/816381977.db2.gz BDIUTAORXKNIMY-IBGZPJMESA-N 2 1 299.462 3.005 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222236791 816381986 /nfs/dbraw/zinc/38/19/86/816381986.db2.gz BDIUTAORXKNIMY-IBGZPJMESA-N 2 1 299.462 3.005 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976986 819257520 /nfs/dbraw/zinc/25/75/20/819257520.db2.gz DWEGXKXHOSOFDN-HKUYNNGSSA-N 2 1 295.430 3.017 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976986 819257525 /nfs/dbraw/zinc/25/75/25/819257525.db2.gz DWEGXKXHOSOFDN-HKUYNNGSSA-N 2 1 295.430 3.017 20 10 CGCDMP C[N@@H+](Cc1cc2ccccc2cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217898 819384385 /nfs/dbraw/zinc/38/43/85/819384385.db2.gz QRKFVYDDCFTAMZ-SJORKVTESA-N 2 1 284.403 3.247 20 10 CGCDMP C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217882 819384698 /nfs/dbraw/zinc/38/46/98/819384698.db2.gz QQSFYDILULPRSR-HZPDHXFCSA-N 2 1 290.451 3.391 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237400787 819744231 /nfs/dbraw/zinc/74/42/31/819744231.db2.gz AFDNQDDHIOYIEQ-YJBOKZPZSA-N 2 1 296.414 3.119 20 10 CGCDMP CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CCN(C)CC1 ZINC001237685564 819806296 /nfs/dbraw/zinc/80/62/96/819806296.db2.gz FRCWXJXDSGXOJT-UHFFFAOYSA-N 2 1 296.842 3.270 20 10 CGCDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000840807423 931968822 /nfs/dbraw/zinc/96/88/22/931968822.db2.gz AYUHFSUMIVIUOH-CVEARBPZSA-N 2 1 289.467 3.135 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000296395508 373117851 /nfs/dbraw/zinc/11/78/51/373117851.db2.gz KFRDUGIFGJPVOU-WZYMTQMTSA-N 2 1 288.435 3.285 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000272007796 378544452 /nfs/dbraw/zinc/54/44/52/378544452.db2.gz JKPFAWSTJTVLCS-UHFFFAOYSA-N 2 1 293.798 3.039 20 10 CGCDMP C[NH+](C)CCCC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272329512 378613595 /nfs/dbraw/zinc/61/35/95/378613595.db2.gz WDLYYQYNAYXDKP-UHFFFAOYSA-N 2 1 294.414 3.085 20 10 CGCDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)ccc1O ZINC000273359575 378742545 /nfs/dbraw/zinc/74/25/45/378742545.db2.gz AFIGNDRMYYJCTE-LBPRGKRZSA-N 2 1 292.398 3.199 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1O ZINC000285572356 380150841 /nfs/dbraw/zinc/15/08/41/380150841.db2.gz IBGAKMCRZXUSFV-WBMJQRKESA-N 2 1 292.398 3.056 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1O ZINC000285572356 380150847 /nfs/dbraw/zinc/15/08/47/380150847.db2.gz IBGAKMCRZXUSFV-WBMJQRKESA-N 2 1 292.398 3.056 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756450223 626706980 /nfs/dbraw/zinc/70/69/80/626706980.db2.gz RPZZDNPWTLOKDZ-NEPJUHHUSA-N 2 1 298.377 3.053 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000817958946 632254647 /nfs/dbraw/zinc/25/46/47/632254647.db2.gz NDVDIFDORSTBAN-XJKSGUPXSA-N 2 1 276.424 3.259 20 10 CGCDMP Cc1ccc(O)c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000103854858 632744792 /nfs/dbraw/zinc/74/47/92/632744792.db2.gz UCIGNRUSFOBENA-UHFFFAOYSA-N 2 1 298.430 3.312 20 10 CGCDMP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cc1O ZINC000834909566 634284084 /nfs/dbraw/zinc/28/40/84/634284084.db2.gz SKLTZUCMLHDFPP-INIZCTEOSA-N 2 1 294.414 3.446 20 10 CGCDMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1O ZINC000834909566 634284089 /nfs/dbraw/zinc/28/40/89/634284089.db2.gz SKLTZUCMLHDFPP-INIZCTEOSA-N 2 1 294.414 3.446 20 10 CGCDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(O)c1 ZINC000877114774 634988052 /nfs/dbraw/zinc/98/80/52/634988052.db2.gz AXAVCECHJBBHEG-MRXNPFEDSA-N 2 1 290.451 3.158 20 10 CGCDMP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841746769 635223818 /nfs/dbraw/zinc/22/38/18/635223818.db2.gz LDMAAIWRMRHBNE-LBPRGKRZSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000841758612 635231476 /nfs/dbraw/zinc/23/14/76/635231476.db2.gz UAEYIYPBZSNBLW-CHWSQXEVSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000841758612 635231478 /nfs/dbraw/zinc/23/14/78/635231478.db2.gz UAEYIYPBZSNBLW-CHWSQXEVSA-N 2 1 296.842 3.428 20 10 CGCDMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000844926411 635986831 /nfs/dbraw/zinc/98/68/31/635986831.db2.gz ZTCXGBWNPFBZFM-LBPRGKRZSA-N 2 1 288.366 3.102 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000846177419 636154066 /nfs/dbraw/zinc/15/40/66/636154066.db2.gz ORBRXHJYEUUSAO-ZDUSSCGKSA-N 2 1 282.403 3.160 20 10 CGCDMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000846177419 636154069 /nfs/dbraw/zinc/15/40/69/636154069.db2.gz ORBRXHJYEUUSAO-ZDUSSCGKSA-N 2 1 282.403 3.160 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000846177419 636154073 /nfs/dbraw/zinc/15/40/73/636154073.db2.gz ORBRXHJYEUUSAO-ZDUSSCGKSA-N 2 1 282.403 3.160 20 10 CGCDMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Cl)c(Cl)cc1O ZINC000925738116 638589808 /nfs/dbraw/zinc/58/98/08/638589808.db2.gz OBGOGMAZKDLLJG-MRVPVSSYSA-N 2 1 291.222 3.477 20 10 CGCDMP CC[C@@H](c1ccc(F)cc1O)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925760386 638601495 /nfs/dbraw/zinc/60/14/95/638601495.db2.gz QHWVFVBYEWCMEC-AWEZNQCLSA-N 2 1 280.387 3.186 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(O)c1 ZINC001206810530 813444002 /nfs/dbraw/zinc/44/40/02/813444002.db2.gz NQGPGNGNSZFWGC-KGLIPLIRSA-N 2 1 276.424 3.075 20 10 CGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143116695 804804717 /nfs/dbraw/zinc/80/47/17/804804717.db2.gz KAPVQGQJMXLICH-UHFFFAOYSA-N 2 1 292.467 3.463 20 10 CGCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001169095314 807573801 /nfs/dbraw/zinc/57/38/01/807573801.db2.gz PDTWTQGKGZXQAQ-LUPIEILUSA-N 2 1 299.462 3.002 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(O)c1 ZINC001205289387 812933064 /nfs/dbraw/zinc/93/30/64/812933064.db2.gz XEJDFYBBMJIZDJ-QGZVFWFLSA-N 2 1 276.424 3.219 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H]1C[NH3+] ZINC001205306496 812943762 /nfs/dbraw/zinc/94/37/62/812943762.db2.gz WONKKIKTBVOXIF-DZGCQCFKSA-N 2 1 290.451 3.106 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205903568 813126718 /nfs/dbraw/zinc/12/67/18/813126718.db2.gz QCYYFLAXWUKUFE-DOTOQJQBSA-N 2 1 289.467 3.092 20 10 CGCDMP C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC[C@@H]1C[NH3+] ZINC001206021807 813169350 /nfs/dbraw/zinc/16/93/50/813169350.db2.gz BDGQDNVPWTTYJQ-WMLDXEAASA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001206566342 813357182 /nfs/dbraw/zinc/35/71/82/813357182.db2.gz ZVZUFILCQXATGY-LJQANCHMSA-N 2 1 298.430 3.496 20 10 CGCDMP Nc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222172793 816368954 /nfs/dbraw/zinc/36/89/54/816368954.db2.gz OBRVFOVWEXDMGY-GOSISDBHSA-N 2 1 287.451 3.015 20 10 CGCDMP CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001235342059 819072384 /nfs/dbraw/zinc/07/23/84/819072384.db2.gz HIOHHPIXQNLGRX-MRXNPFEDSA-N 2 1 297.446 3.090 20 10 CGCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001235342059 819072389 /nfs/dbraw/zinc/07/23/89/819072389.db2.gz HIOHHPIXQNLGRX-MRXNPFEDSA-N 2 1 297.446 3.090 20 10 CGCDMP Cc1ccc(O)c(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236552583 819535384 /nfs/dbraw/zinc/53/53/84/819535384.db2.gz SINFGUNPRWORSA-QAQDUYKDSA-N 2 1 290.451 3.429 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237410105 819746827 /nfs/dbraw/zinc/74/68/27/819746827.db2.gz BLASQXQRSBZDAB-SJLPKXTDSA-N 2 1 296.414 3.119 20 10 CGCDMP CCCC[N@H+](Cc1ccccc1O)CC1CC[NH+](C)CC1 ZINC001334270633 936093911 /nfs/dbraw/zinc/09/39/11/936093911.db2.gz KTKAXUGDROOZBI-UHFFFAOYSA-N 2 1 290.451 3.336 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC001474504281 937863905 /nfs/dbraw/zinc/86/39/05/937863905.db2.gz FCYYVOWNDQYWDV-PBHICJAKSA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC001474504281 937863906 /nfs/dbraw/zinc/86/39/06/937863906.db2.gz FCYYVOWNDQYWDV-PBHICJAKSA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC001474504281 937863907 /nfs/dbraw/zinc/86/39/07/937863907.db2.gz FCYYVOWNDQYWDV-PBHICJAKSA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC001474504281 937863908 /nfs/dbraw/zinc/86/39/08/937863908.db2.gz FCYYVOWNDQYWDV-PBHICJAKSA-N 2 1 290.451 3.288 20 10 CGCDMP CC[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2O)CC[C@H]1[NH3+] ZINC001577279269 962524180 /nfs/dbraw/zinc/52/41/80/962524180.db2.gz BODVPKJJWGYELN-CZUORRHYSA-N 2 1 276.424 3.075 20 10 CGCDMP CC[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2O)CC[C@@H]1[NH3+] ZINC001577279268 962524489 /nfs/dbraw/zinc/52/44/89/962524489.db2.gz BODVPKJJWGYELN-CJNGLKHVSA-N 2 1 276.424 3.075 20 10 CGCDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1O ZINC000019913039 368781810 /nfs/dbraw/zinc/78/18/10/368781810.db2.gz WGBVOZAPDMFQBF-GJZGRUSLSA-N 2 1 276.424 3.307 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1C ZINC000368952678 382382980 /nfs/dbraw/zinc/38/29/80/382382980.db2.gz WMFIGAQXNIJLDC-UHFFFAOYSA-N 2 1 288.435 3.069 20 10 CGCDMP Cc1ccc(O)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000132475840 392460154 /nfs/dbraw/zinc/46/01/54/392460154.db2.gz GFIQVIJXDRHEJX-UHFFFAOYSA-N 2 1 288.435 3.151 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000130162013 260393031 /nfs/dbraw/zinc/39/30/31/260393031.db2.gz PBWIGZJHVHVKLH-YXJHDRRASA-N 2 1 287.451 3.030 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000159274185 261182858 /nfs/dbraw/zinc/18/28/58/261182858.db2.gz QAANFWGDTIGQPG-OAHLLOKOSA-N 2 1 289.467 3.278 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1O ZINC000363858951 261971904 /nfs/dbraw/zinc/97/19/04/261971904.db2.gz RWLRCNPBKKELEX-FPMFFAJLSA-N 2 1 294.826 3.323 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000290343743 524863100 /nfs/dbraw/zinc/86/31/00/524863100.db2.gz FQORHXONPRIIBE-IUODEOHRSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000290343743 524863111 /nfs/dbraw/zinc/86/31/11/524863111.db2.gz FQORHXONPRIIBE-IUODEOHRSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290343743 524863118 /nfs/dbraw/zinc/86/31/18/524863118.db2.gz FQORHXONPRIIBE-IUODEOHRSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290343743 524863126 /nfs/dbraw/zinc/86/31/26/524863126.db2.gz FQORHXONPRIIBE-IUODEOHRSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1O ZINC000158078662 618729187 /nfs/dbraw/zinc/72/91/87/618729187.db2.gz WUFZUGAVLUPTHH-UHFFFAOYSA-N 2 1 290.451 3.445 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164424369 622834987 /nfs/dbraw/zinc/83/49/87/622834987.db2.gz BVLVDDZUVNTWKS-MRXNPFEDSA-N 2 1 290.451 3.173 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164424369 622834990 /nfs/dbraw/zinc/83/49/90/622834990.db2.gz BVLVDDZUVNTWKS-MRXNPFEDSA-N 2 1 290.451 3.173 20 10 CGCDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cc(F)ccc1O ZINC000817957896 632253082 /nfs/dbraw/zinc/25/30/82/632253082.db2.gz FWGBOXAGWAFJQS-XHDPSFHLSA-N 2 1 280.387 3.090 20 10 CGCDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978811 632270673 /nfs/dbraw/zinc/27/06/73/632270673.db2.gz DZJIFWBDWCNQBO-ZBFHGGJFSA-N 2 1 275.440 3.065 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000825122064 633330855 /nfs/dbraw/zinc/33/08/55/633330855.db2.gz WKZDEKJXNSVPCH-KGLIPLIRSA-N 2 1 294.826 3.070 20 10 CGCDMP Cc1cc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000826075098 633403278 /nfs/dbraw/zinc/40/32/78/633403278.db2.gz PAEGNITUMXEUAR-AGUYFDCRSA-N 2 1 294.826 3.069 20 10 CGCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000876771368 634896815 /nfs/dbraw/zinc/89/68/15/634896815.db2.gz XYIRFEVFWXOWAE-INIZCTEOSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(O)c1 ZINC000876896527 634924138 /nfs/dbraw/zinc/92/41/38/634924138.db2.gz GRVOTFZNRBSYMV-OAHLLOKOSA-N 2 1 276.424 3.055 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000840808455 635055590 /nfs/dbraw/zinc/05/55/90/635055590.db2.gz CNZQDCUWZWMPNE-CABCVRRESA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840882976 635072816 /nfs/dbraw/zinc/07/28/16/635072816.db2.gz XPDXMFZFWSGWAC-UHFFFAOYSA-N 2 1 293.798 3.039 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840884105 635073147 /nfs/dbraw/zinc/07/31/47/635073147.db2.gz IWCCTOQIROABJM-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000877741757 635178320 /nfs/dbraw/zinc/17/83/20/635178320.db2.gz NKCFBYCCTAGMLZ-YJBOKZPZSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000877741757 635178324 /nfs/dbraw/zinc/17/83/24/635178324.db2.gz NKCFBYCCTAGMLZ-YJBOKZPZSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000877741757 635178329 /nfs/dbraw/zinc/17/83/29/635178329.db2.gz NKCFBYCCTAGMLZ-YJBOKZPZSA-N 2 1 296.414 3.071 20 10 CGCDMP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841753186 635226993 /nfs/dbraw/zinc/22/69/93/635226993.db2.gz KXNYUVNOCHBULC-LBPRGKRZSA-N 2 1 296.842 3.428 20 10 CGCDMP CCC[N@H+](Cc1cc(Cl)ccc1O)C1CC[NH2+]CC1 ZINC000843044988 635549831 /nfs/dbraw/zinc/54/98/31/635549831.db2.gz OWVQGVZFNBOPQZ-UHFFFAOYSA-N 2 1 282.815 3.010 20 10 CGCDMP CCC[N@@H+](Cc1cc(Cl)ccc1O)C1CC[NH2+]CC1 ZINC000843044988 635549835 /nfs/dbraw/zinc/54/98/35/635549835.db2.gz OWVQGVZFNBOPQZ-UHFFFAOYSA-N 2 1 282.815 3.010 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000858490440 638741202 /nfs/dbraw/zinc/74/12/02/638741202.db2.gz HJQOQOXKQHKBRV-OLZOCXBDSA-N 2 1 296.842 3.428 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000193013340 640426158 /nfs/dbraw/zinc/42/61/58/640426158.db2.gz DNSCSTPWNSWFFA-PKOBYXMFSA-N 2 1 299.462 3.003 20 10 CGCDMP CC[N@@H+](CCn1ccnc1)Cc1c(C)n(C)c2ccccc21 ZINC001138259157 803884816 /nfs/dbraw/zinc/88/48/16/803884816.db2.gz CZPHRROYSIJTKO-UHFFFAOYSA-N 2 1 296.418 3.205 20 10 CGCDMP C[NH+](C)C1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143104780 804801388 /nfs/dbraw/zinc/80/13/88/804801388.db2.gz ZRKVSIMXKOJIFT-UHFFFAOYSA-N 2 1 290.451 3.216 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204937561 812784506 /nfs/dbraw/zinc/78/45/06/812784506.db2.gz DWJDBADJONUQNF-IBGZPJMESA-N 2 1 297.446 3.407 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204937561 812784511 /nfs/dbraw/zinc/78/45/11/812784511.db2.gz DWJDBADJONUQNF-IBGZPJMESA-N 2 1 297.446 3.407 20 10 CGCDMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001206806217 813441272 /nfs/dbraw/zinc/44/12/72/813441272.db2.gz GARIDUPNKYOMQR-KGLIPLIRSA-N 2 1 290.451 3.249 20 10 CGCDMP Nc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222172794 816369063 /nfs/dbraw/zinc/36/90/63/816369063.db2.gz OBRVFOVWEXDMGY-SFHVURJKSA-N 2 1 287.451 3.015 20 10 CGCDMP CCc1ccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222394967 816431324 /nfs/dbraw/zinc/43/13/24/816431324.db2.gz DBUHBNOIVIISLN-GOSISDBHSA-N 2 1 288.435 3.063 20 10 CGCDMP CCc1ccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222394967 816431327 /nfs/dbraw/zinc/43/13/27/816431327.db2.gz DBUHBNOIVIISLN-GOSISDBHSA-N 2 1 288.435 3.063 20 10 CGCDMP CCc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001235180419 819026091 /nfs/dbraw/zinc/02/60/91/819026091.db2.gz XDOHHXUTCXIRSQ-GOSISDBHSA-N 2 1 288.435 3.063 20 10 CGCDMP CCc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001235180419 819026095 /nfs/dbraw/zinc/02/60/95/819026095.db2.gz XDOHHXUTCXIRSQ-GOSISDBHSA-N 2 1 288.435 3.063 20 10 CGCDMP C[NH2+]C1CCC([N@@H+](C)Cc2c(C)n(C)c3ccccc32)CC1 ZINC001236213849 819376827 /nfs/dbraw/zinc/37/68/27/819376827.db2.gz XJQIRWWAIXTXSJ-UHFFFAOYSA-N 2 1 299.462 3.449 20 10 CGCDMP CCN1CCC([N@@H+](C)Cc2cc(C(C)C)ccc2O)CC1 ZINC001308660829 933151833 /nfs/dbraw/zinc/15/18/33/933151833.db2.gz MOZVIYIOGSOIML-UHFFFAOYSA-N 2 1 290.451 3.432 20 10 CGCDMP CC[NH+]1CCC([N@H+](C)Cc2cc(C(C)C)ccc2O)CC1 ZINC001308660829 933151836 /nfs/dbraw/zinc/15/18/36/933151836.db2.gz MOZVIYIOGSOIML-UHFFFAOYSA-N 2 1 290.451 3.432 20 10 CGCDMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C(C)C)ccc2O)CC1 ZINC001308660829 933151841 /nfs/dbraw/zinc/15/18/41/933151841.db2.gz MOZVIYIOGSOIML-UHFFFAOYSA-N 2 1 290.451 3.432 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200318 375131638 /nfs/dbraw/zinc/13/16/38/375131638.db2.gz ZXUNAAGWJWRSBP-RHSMWYFYSA-N 2 1 299.462 3.307 20 10 CGCDMP Cc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1O ZINC000271790181 378504160 /nfs/dbraw/zinc/50/41/60/378504160.db2.gz IUCVTRRQEWVIOV-UHFFFAOYSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000271849964 378509732 /nfs/dbraw/zinc/50/97/32/378509732.db2.gz ILADANIRYKPCRL-SFHVURJKSA-N 2 1 287.451 3.055 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000362238468 381914459 /nfs/dbraw/zinc/91/44/59/381914459.db2.gz QQKDKPZWUZRKID-LSDHHAIUSA-N 2 1 294.826 3.070 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000020189453 171056089 /nfs/dbraw/zinc/05/60/89/171056089.db2.gz UFBUPOHMIFZPMV-AWEZNQCLSA-N 2 1 276.424 3.224 20 10 CGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185346861 262051611 /nfs/dbraw/zinc/05/16/11/262051611.db2.gz MTEYCLOJJHGKKZ-KBPBESRZSA-N 2 1 287.407 3.192 20 10 CGCDMP C[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263900937 523777345 /nfs/dbraw/zinc/77/73/45/523777345.db2.gz WTSYWOZPMQETHI-UHFFFAOYSA-N 2 1 296.414 3.243 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C(C)C ZINC000738225079 572366655 /nfs/dbraw/zinc/36/66/55/572366655.db2.gz QZAHCKZSDYOYBS-OAHLLOKOSA-N 2 1 290.451 3.208 20 10 CGCDMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1O ZINC000183423229 619044454 /nfs/dbraw/zinc/04/44/54/619044454.db2.gz FLHXRAXBDOYBSN-XHSDSOJGSA-N 2 1 290.451 3.411 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1O ZINC000841745095 620351718 /nfs/dbraw/zinc/35/17/18/620351718.db2.gz NFKUIIUOAGJEEF-NWDGAFQWSA-N 2 1 294.826 3.181 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1O ZINC000841745095 620351720 /nfs/dbraw/zinc/35/17/20/620351720.db2.gz NFKUIIUOAGJEEF-NWDGAFQWSA-N 2 1 294.826 3.181 20 10 CGCDMP Cc1cccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1C ZINC000841041264 620521875 /nfs/dbraw/zinc/52/18/75/620521875.db2.gz ZDXZRLINFABWNX-IBGZPJMESA-N 2 1 297.446 3.159 20 10 CGCDMP CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903060170 621548547 /nfs/dbraw/zinc/54/85/47/621548547.db2.gz SKOQLXXYPWZYMZ-QNBRMCRTSA-N 2 1 299.462 3.000 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000840810658 626207217 /nfs/dbraw/zinc/20/72/17/626207217.db2.gz VLSVRCNNSHOIBF-CVEARBPZSA-N 2 1 290.451 3.392 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756360067 626696427 /nfs/dbraw/zinc/69/64/27/626696427.db2.gz DDZOIXCWIZKQCM-FZMZJTMJSA-N 2 1 292.398 3.154 20 10 CGCDMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cc(Cl)ccc1O ZINC000775500098 628101280 /nfs/dbraw/zinc/10/12/80/628101280.db2.gz OKFUNOKHCGNMLK-AWEZNQCLSA-N 2 1 293.798 3.291 20 10 CGCDMP CCC(C)(C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775689816 628126150 /nfs/dbraw/zinc/12/61/50/628126150.db2.gz LNJMHGJUPDKKJZ-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000825122067 633330995 /nfs/dbraw/zinc/33/09/95/633330995.db2.gz WKZDEKJXNSVPCH-UONOGXRCSA-N 2 1 294.826 3.070 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(O)c1C ZINC000840810070 635055541 /nfs/dbraw/zinc/05/55/41/635055541.db2.gz OJDQNXGYGFBEBU-HOTGVXAUSA-N 2 1 290.451 3.392 20 10 CGCDMP C[C@@]1(C[N@@H+](Cc2ccccc2O)C2CCCC2)CC[NH2+]C1 ZINC000843064874 635554984 /nfs/dbraw/zinc/55/49/84/635554984.db2.gz ZPTPJXJNXROANO-GOSISDBHSA-N 2 1 288.435 3.136 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1O ZINC000843124292 635561035 /nfs/dbraw/zinc/56/10/35/635561035.db2.gz XKOMXBMHYAIKIZ-AWEZNQCLSA-N 2 1 282.815 3.057 20 10 CGCDMP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000128314217 635956508 /nfs/dbraw/zinc/95/65/08/635956508.db2.gz VBOSPKJRTDAAOM-WFASDCNBSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000128314217 635956511 /nfs/dbraw/zinc/95/65/11/635956511.db2.gz VBOSPKJRTDAAOM-WFASDCNBSA-N 2 1 294.826 3.010 20 10 CGCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000387441872 799446942 /nfs/dbraw/zinc/44/69/42/799446942.db2.gz KCSROJAFEDMNIK-AWEZNQCLSA-N 2 1 284.403 3.106 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1O ZINC001205651911 813042757 /nfs/dbraw/zinc/04/27/57/813042757.db2.gz LPWTXCRSQWCKDV-WCQYABFASA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840882 813104704 /nfs/dbraw/zinc/10/47/04/813104704.db2.gz INJTUKCXMNTNPO-CJNGLKHVSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840882 813104709 /nfs/dbraw/zinc/10/47/09/813104709.db2.gz INJTUKCXMNTNPO-CJNGLKHVSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001205913890 813130672 /nfs/dbraw/zinc/13/06/72/813130672.db2.gz KLYXUCPOSNTVOB-DZGCQCFKSA-N 2 1 284.403 3.105 20 10 CGCDMP Cc1c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c2ccccc2n1C ZINC001222244250 816384100 /nfs/dbraw/zinc/38/41/00/816384100.db2.gz VVPKKTAMECZTCF-LJQANCHMSA-N 2 1 297.446 3.205 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c2ccccc2n1C ZINC001222244250 816384108 /nfs/dbraw/zinc/38/41/08/816384108.db2.gz VVPKKTAMECZTCF-LJQANCHMSA-N 2 1 297.446 3.205 20 10 CGCDMP CN1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@@H]21 ZINC001231589808 818130385 /nfs/dbraw/zinc/13/03/85/818130385.db2.gz RNOVQVUBWLHGKW-YJBOKZPZSA-N 2 1 296.414 3.071 20 10 CGCDMP Cc1cc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001236094568 819311572 /nfs/dbraw/zinc/31/15/72/819311572.db2.gz FTTHFSUAOFNIAX-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1cc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001236094568 819311577 /nfs/dbraw/zinc/31/15/77/819311577.db2.gz FTTHFSUAOFNIAX-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001236605919 819549849 /nfs/dbraw/zinc/54/98/49/819549849.db2.gz WYLINLVDEBHQEE-IBGZPJMESA-N 2 1 297.446 3.265 20 10 CGCDMP CC[C@H]1C[N@@H+](Cc2cc(C(C)C)ccc2O)CC[C@H]1[NH3+] ZINC001577279270 962525648 /nfs/dbraw/zinc/52/56/48/962525648.db2.gz BODVPKJJWGYELN-XJKSGUPXSA-N 2 1 276.424 3.075 20 10 CGCDMP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000286373451 380204314 /nfs/dbraw/zinc/20/43/14/380204314.db2.gz ZRUBWGBWUJGREO-INIZCTEOSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1O ZINC000280011067 522857350 /nfs/dbraw/zinc/85/73/50/522857350.db2.gz GRTHFTUIVGWWEJ-WMLDXEAASA-N 2 1 288.435 3.226 20 10 CGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2O)CC1 ZINC000092165804 618872774 /nfs/dbraw/zinc/87/27/74/618872774.db2.gz VPKHIYJAQXUFIJ-UHFFFAOYSA-N 2 1 276.424 3.007 20 10 CGCDMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1O ZINC000840808755 626190025 /nfs/dbraw/zinc/19/00/25/626190025.db2.gz DTOAAMXSDQHGDB-XJKSGUPXSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000840808755 626190027 /nfs/dbraw/zinc/19/00/27/626190027.db2.gz DTOAAMXSDQHGDB-XJKSGUPXSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000840809345 626192388 /nfs/dbraw/zinc/19/23/88/626192388.db2.gz JRUGZIQXLJPPOG-NVXWUHKLSA-N 2 1 290.451 3.473 20 10 CGCDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000756550566 626713991 /nfs/dbraw/zinc/71/39/91/626713991.db2.gz IYLPKEIKYHQCAZ-MBNYWOFBSA-N 2 1 292.398 3.011 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C)cc1O ZINC000794802828 629579647 /nfs/dbraw/zinc/57/96/47/629579647.db2.gz OYANOLJYVWUYCM-DZKIICNBSA-N 2 1 276.424 3.224 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C)cc1O ZINC000794802828 629579650 /nfs/dbraw/zinc/57/96/50/629579650.db2.gz OYANOLJYVWUYCM-DZKIICNBSA-N 2 1 276.424 3.224 20 10 CGCDMP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(F)cc1O ZINC000796676158 629813961 /nfs/dbraw/zinc/81/39/61/629813961.db2.gz DPBMSVIHFJLHQB-HNNXBMFYSA-N 2 1 282.403 3.302 20 10 CGCDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(F)cc1O ZINC000796676158 629813963 /nfs/dbraw/zinc/81/39/63/629813963.db2.gz DPBMSVIHFJLHQB-HNNXBMFYSA-N 2 1 282.403 3.302 20 10 CGCDMP c1cc(N2CCCCC2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817865703 632228292 /nfs/dbraw/zinc/22/82/92/632228292.db2.gz MZDFWZXSOZWOLB-UHFFFAOYSA-N 2 1 299.462 3.005 20 10 CGCDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817958380 632253374 /nfs/dbraw/zinc/25/33/74/632253374.db2.gz IYNCQZDLXZZGTG-WZRBSPASSA-N 2 1 280.387 3.043 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1O ZINC000817961394 632257560 /nfs/dbraw/zinc/25/75/60/632257560.db2.gz XZATWMAVJQJPKM-BYCMXARLSA-N 2 1 280.387 3.090 20 10 CGCDMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817970366 632264850 /nfs/dbraw/zinc/26/48/50/632264850.db2.gz SJRGTCDUKDGFBR-LSDHHAIUSA-N 2 1 275.440 3.065 20 10 CGCDMP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1O ZINC000817976738 632267214 /nfs/dbraw/zinc/26/72/14/632267214.db2.gz SSJPHMCYBPLQBS-FZMZJTMJSA-N 2 1 268.376 3.090 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1O ZINC000835064456 634343502 /nfs/dbraw/zinc/34/35/02/634343502.db2.gz WDLARKDINPPMSA-UHFFFAOYSA-N 2 1 296.842 3.318 20 10 CGCDMP CCCC[N@H+](Cc1ccccc1O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841020555 635108560 /nfs/dbraw/zinc/10/85/60/635108560.db2.gz YRLBCTOTXTVSHA-CVEARBPZSA-N 2 1 290.451 3.382 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1C ZINC000841039403 635112430 /nfs/dbraw/zinc/11/24/30/635112430.db2.gz NMGCWOFOGSPNBJ-MRXNPFEDSA-N 2 1 276.424 3.006 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843050918 635550161 /nfs/dbraw/zinc/55/01/61/635550161.db2.gz BCAYKTFQHRYGMI-WBVHZDCISA-N 2 1 289.467 3.092 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1O ZINC000848556739 636604125 /nfs/dbraw/zinc/60/41/25/636604125.db2.gz CDXRKNGBEOLQEU-GMXVVIOVSA-N 2 1 282.815 3.036 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000248215283 640748200 /nfs/dbraw/zinc/74/82/00/640748200.db2.gz ZNSAIRQVKJEYQE-JKSUJKDBSA-N 2 1 289.467 3.135 20 10 CGCDMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000386400533 799436113 /nfs/dbraw/zinc/43/61/13/799436113.db2.gz LOAHVFFPXNCXFJ-UHFFFAOYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392197341 799481161 /nfs/dbraw/zinc/48/11/61/799481161.db2.gz DZINHNAPYDUSTO-DZGCQCFKSA-N 2 1 286.419 3.100 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC001261677659 807778276 /nfs/dbraw/zinc/77/82/76/807778276.db2.gz YENHJEVMYIVAIX-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC001261677658 807778556 /nfs/dbraw/zinc/77/85/56/807778556.db2.gz YENHJEVMYIVAIX-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC001204925300 812777984 /nfs/dbraw/zinc/77/79/84/812777984.db2.gz PRVOPXTUNFXGLL-INIZCTEOSA-N 2 1 297.446 3.219 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC001204925300 812777988 /nfs/dbraw/zinc/77/79/88/812777988.db2.gz PRVOPXTUNFXGLL-INIZCTEOSA-N 2 1 297.446 3.219 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@H]1C[NH3+] ZINC001205316470 812949547 /nfs/dbraw/zinc/94/95/47/812949547.db2.gz JHHKKLYXZXIVKI-DZGCQCFKSA-N 2 1 290.451 3.106 20 10 CGCDMP C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206014551 813166565 /nfs/dbraw/zinc/16/65/65/813166565.db2.gz XOAWAOPJEWDUGV-HOCLYGCPSA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC[C@H]1C[NH3+] ZINC001206021803 813168897 /nfs/dbraw/zinc/16/88/97/813168897.db2.gz BDGQDNVPWTTYJQ-PBHICJAKSA-N 2 1 298.430 3.352 20 10 CGCDMP CN1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@@H]21 ZINC001231589807 818129563 /nfs/dbraw/zinc/12/95/63/818129563.db2.gz RNOVQVUBWLHGKW-QAPCUYQASA-N 2 1 296.414 3.071 20 10 CGCDMP Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c(C)n1-c1ccccc1 ZINC001235256301 819053887 /nfs/dbraw/zinc/05/38/87/819053887.db2.gz RPWQUPZVBBBZQL-WDSOQIARSA-N 2 1 295.430 3.016 20 10 CGCDMP CCC(CC)[N@@H+](CC)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235964088 819252447 /nfs/dbraw/zinc/25/24/47/819252447.db2.gz ZCOGVFQMGAQQRL-UHFFFAOYSA-N 2 1 289.467 3.107 20 10 CGCDMP C[N@@H+](Cc1cc2ccccc2cc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217888 819383507 /nfs/dbraw/zinc/38/35/07/819383507.db2.gz QRKFVYDDCFTAMZ-DLBZAZTESA-N 2 1 284.403 3.247 20 10 CGCDMP Cc1ccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236650434 819561322 /nfs/dbraw/zinc/56/13/22/819561322.db2.gz CEODQEFTXHEBPO-QGZVFWFLSA-N 2 1 288.435 3.197 20 10 CGCDMP Cc1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236650434 819561325 /nfs/dbraw/zinc/56/13/25/819561325.db2.gz CEODQEFTXHEBPO-QGZVFWFLSA-N 2 1 288.435 3.197 20 10 CGCDMP CC(C)(C)C[N@@H+](Cc1ccc(N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236778894 819593157 /nfs/dbraw/zinc/59/31/57/819593157.db2.gz BOYKQDOIYKSXTG-QAQDUYKDSA-N 2 1 289.467 3.387 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237410101 819746374 /nfs/dbraw/zinc/74/63/74/819746374.db2.gz BLASQXQRSBZDAB-AEFFLSMTSA-N 2 1 296.414 3.119 20 10 CGCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345159357 936804750 /nfs/dbraw/zinc/80/47/50/936804750.db2.gz GZKFKRIEEVNWLL-UHFFFAOYSA-N 2 1 289.467 3.213 20 10 CGCDMP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(Cl)cc1O ZINC001308776722 933174984 /nfs/dbraw/zinc/17/49/84/933174984.db2.gz ZVZLFINOALFNNP-UHFFFAOYSA-N 2 1 284.831 3.256 20 10 CGCDMP Cc1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(O)c1 ZINC001308983927 933221422 /nfs/dbraw/zinc/22/14/22/933221422.db2.gz JTCJMLZOOMHLCF-UHFFFAOYSA-N 2 1 276.424 3.053 20 10 CGCDMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC001326034896 934945266 /nfs/dbraw/zinc/94/52/66/934945266.db2.gz BEAWKYQKCBLNRN-UWVGGRQHSA-N 2 1 290.329 3.060 20 10 CGCDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157459 935191050 /nfs/dbraw/zinc/19/10/50/935191050.db2.gz WZFQLPDIHVJSAT-GDBMZVCRSA-N 2 1 289.467 3.276 20 10 CGCDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(N)cc1 ZINC001576693224 962486606 /nfs/dbraw/zinc/48/66/06/962486606.db2.gz CAILHPZQMXAIDW-OAHLLOKOSA-N 2 1 275.440 3.013 20 10 CGCDMP Oc1ccccc1C[N@@H+](CCC[NH2+]C1CC1)C1CCCC1 ZINC001580888324 962743378 /nfs/dbraw/zinc/74/33/78/962743378.db2.gz ILKUVXHJOJCLBE-UHFFFAOYSA-N 2 1 288.435 3.279 20 10 CGCDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000271198923 378478910 /nfs/dbraw/zinc/47/89/10/378478910.db2.gz VSRKLKJGKAUEGB-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000271198923 378478916 /nfs/dbraw/zinc/47/89/16/378478916.db2.gz VSRKLKJGKAUEGB-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271198923 378478925 /nfs/dbraw/zinc/47/89/25/378478925.db2.gz VSRKLKJGKAUEGB-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271198923 378478930 /nfs/dbraw/zinc/47/89/30/378478930.db2.gz VSRKLKJGKAUEGB-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000184897529 262032483 /nfs/dbraw/zinc/03/24/83/262032483.db2.gz XSSZJTMWJMPASH-ZDUSSCGKSA-N 2 1 288.435 3.016 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1O ZINC000184997391 262036362 /nfs/dbraw/zinc/03/63/62/262036362.db2.gz AUZQETQTTFSGKQ-NWDGAFQWSA-N 2 1 294.826 3.181 20 10 CGCDMP [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271138248 328195394 /nfs/dbraw/zinc/19/53/94/328195394.db2.gz VCXNQGOTMSONFL-NSHDSACASA-N 2 1 291.782 3.148 20 10 CGCDMP [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271138248 328195396 /nfs/dbraw/zinc/19/53/96/328195396.db2.gz VCXNQGOTMSONFL-NSHDSACASA-N 2 1 291.782 3.148 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(N(C)C)cc1 ZINC000163264664 620210491 /nfs/dbraw/zinc/21/04/91/620210491.db2.gz CBBSQMSMCWQQHP-MAUKXSAKSA-N 2 1 289.467 3.135 20 10 CGCDMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(N2CCCCCC2)cc1 ZINC000902417532 621309902 /nfs/dbraw/zinc/30/99/02/621309902.db2.gz SEUCULHVPQZANC-HNNXBMFYSA-N 2 1 287.451 3.209 20 10 CGCDMP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000902486611 621354292 /nfs/dbraw/zinc/35/42/92/621354292.db2.gz RCFNBWKWFJKPAL-CIUDSAMLSA-N 2 1 289.206 3.087 20 10 CGCDMP CCCN(CCC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000841082161 622275841 /nfs/dbraw/zinc/27/58/41/622275841.db2.gz WOUYBEQMKDLFGE-CABCVRRESA-N 2 1 277.456 3.138 20 10 CGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000808709387 630667955 /nfs/dbraw/zinc/66/79/55/630667955.db2.gz FOZBGMLSNGHIRE-GFCCVEGCSA-N 2 1 294.826 3.267 20 10 CGCDMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(C)cc1O ZINC000817959773 632254912 /nfs/dbraw/zinc/25/49/12/632254912.db2.gz UVVNLDZKFOUWQL-ZFWWWQNUSA-N 2 1 264.413 3.115 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1O ZINC000817961397 632257776 /nfs/dbraw/zinc/25/77/76/632257776.db2.gz XZATWMAVJQJPKM-UGFHNGPFSA-N 2 1 280.387 3.090 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000817963067 632258732 /nfs/dbraw/zinc/25/87/32/632258732.db2.gz ROSXTMPNIWNYFJ-UKRRQHHQSA-N 2 1 264.413 3.259 20 10 CGCDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C)cc1O ZINC000817981408 632271157 /nfs/dbraw/zinc/27/11/57/632271157.db2.gz JAIHIJQRSXCSGN-HZPDHXFCSA-N 2 1 276.424 3.259 20 10 CGCDMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1O)CC[NH2+]CC2 ZINC000818431990 632318314 /nfs/dbraw/zinc/31/83/14/632318314.db2.gz ZUQNBEITDYEYTA-GFCCVEGCSA-N 2 1 294.826 3.010 20 10 CGCDMP C[N@@H+](CCCC[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000835062404 634343422 /nfs/dbraw/zinc/34/34/22/634343422.db2.gz ONTIJVUEBHBQDX-UHFFFAOYSA-N 2 1 282.815 3.010 20 10 CGCDMP Cc1cccc(O)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000876771370 634896298 /nfs/dbraw/zinc/89/62/98/634896298.db2.gz XYIRFEVFWXOWAE-MRXNPFEDSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1cccc(O)c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000876933248 634931154 /nfs/dbraw/zinc/93/11/54/634931154.db2.gz JZEPCLYZODHLJM-HNNXBMFYSA-N 2 1 290.451 3.302 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000858490441 638740547 /nfs/dbraw/zinc/74/05/47/638740547.db2.gz HJQOQOXKQHKBRV-QWHCGFSZSA-N 2 1 296.842 3.428 20 10 CGCDMP CCN(C)c1ccc(C[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931351991 639139843 /nfs/dbraw/zinc/13/98/43/639139843.db2.gz CPXVQOPQSMIDAK-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP CCCC[N@@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140300368 804409070 /nfs/dbraw/zinc/40/90/70/804409070.db2.gz MPZCCHITYGITOH-UHFFFAOYSA-N 2 1 289.467 3.060 20 10 CGCDMP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC001172113282 808180359 /nfs/dbraw/zinc/18/03/59/808180359.db2.gz GCDGUACMVAQFNJ-MUJYYYPQSA-N 2 1 288.435 3.114 20 10 CGCDMP CC(C)(C[NH2+]Cc1ccc(Cl)cc1O)C[NH+]1CCCC1 ZINC001181428167 810052366 /nfs/dbraw/zinc/05/23/66/810052366.db2.gz TXVBSMOAWLWRBZ-UHFFFAOYSA-N 2 1 296.842 3.257 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001181828062 810074983 /nfs/dbraw/zinc/07/49/83/810074983.db2.gz QHEVROCDEPAPHB-ALOPSCKCSA-N 2 1 288.435 3.230 20 10 CGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204328636 812613961 /nfs/dbraw/zinc/61/39/61/812613961.db2.gz LGTGNDDEQJEPMX-UHFFFAOYSA-N 2 1 289.467 3.060 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(O)c1 ZINC001205287896 812931642 /nfs/dbraw/zinc/93/16/42/812931642.db2.gz CUAKOZZVWZIOGB-GOSISDBHSA-N 2 1 290.451 3.393 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(O)c1 ZINC001205652839 813041457 /nfs/dbraw/zinc/04/14/57/813041457.db2.gz RIUYMPHQFJXNPQ-GOEBONIOSA-N 2 1 290.451 3.322 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c2ccccc2n1C ZINC001205996133 813157255 /nfs/dbraw/zinc/15/72/55/813157255.db2.gz UYVURVQWJOYLOZ-HOCLYGCPSA-N 2 1 299.462 3.294 20 10 CGCDMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCC[C@@H]1C[NH3+] ZINC001206014525 813166015 /nfs/dbraw/zinc/16/60/15/813166015.db2.gz XFAWWRQGKYMUJB-GDBMZVCRSA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001206805108 813441159 /nfs/dbraw/zinc/44/11/59/813441159.db2.gz ABGCTVSRNLCANX-ZIAGYGMSSA-N 2 1 290.451 3.249 20 10 CGCDMP CCCC[N@@H+](CCC)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235663924 819132562 /nfs/dbraw/zinc/13/25/62/819132562.db2.gz YINQUPOAKFPOER-UHFFFAOYSA-N 2 1 289.467 3.108 20 10 CGCDMP CCC[N@@H+](Cc1cc(Cl)c(C)cc1O)C1CC[NH2+]CC1 ZINC001236184314 819359314 /nfs/dbraw/zinc/35/93/14/819359314.db2.gz HWQNYOYRBHBIRO-UHFFFAOYSA-N 2 1 296.842 3.318 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236242815 819401502 /nfs/dbraw/zinc/40/15/02/819401502.db2.gz KEFVEAHWTIXIGN-GOSISDBHSA-N 2 1 283.419 3.017 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236242815 819401503 /nfs/dbraw/zinc/40/15/03/819401503.db2.gz KEFVEAHWTIXIGN-GOSISDBHSA-N 2 1 283.419 3.017 20 10 CGCDMP CC[N@H+](C)C1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054713 819654849 /nfs/dbraw/zinc/65/48/49/819654849.db2.gz DZOCLRHONAFJDV-UHFFFAOYSA-N 2 1 290.451 3.432 20 10 CGCDMP CC[N@@H+](C)C1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237054713 819654854 /nfs/dbraw/zinc/65/48/54/819654854.db2.gz DZOCLRHONAFJDV-UHFFFAOYSA-N 2 1 290.451 3.432 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237410531 819746277 /nfs/dbraw/zinc/74/62/77/819746277.db2.gz DTFPDEOBFDQBHG-WBVHZDCISA-N 2 1 288.435 3.090 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC001462190098 937623652 /nfs/dbraw/zinc/62/36/52/937623652.db2.gz JYIBLOBAORRWLS-OAHLLOKOSA-N 2 1 290.451 3.336 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC001323828880 934429321 /nfs/dbraw/zinc/42/93/21/934429321.db2.gz CPYQLDVLVRZKMT-LSDHHAIUSA-N 2 1 276.424 3.083 20 10 CGCDMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1O ZINC000124568215 370926133 /nfs/dbraw/zinc/92/61/33/370926133.db2.gz ZKPCEAXNLUIAGZ-BBRMVZONSA-N 2 1 287.407 3.274 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000151106588 371570812 /nfs/dbraw/zinc/57/08/12/371570812.db2.gz QUEMAWBETGRHEI-HOTGVXAUSA-N 2 1 289.467 3.135 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000273563033 378751794 /nfs/dbraw/zinc/75/17/94/378751794.db2.gz IRWCZZSWEHOBGU-AWEZNQCLSA-N 2 1 288.435 3.368 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1C ZINC000363846379 382258903 /nfs/dbraw/zinc/25/89/03/382258903.db2.gz CHXRLYXXLRSQNT-JYJNAYRXSA-N 2 1 288.435 3.286 20 10 CGCDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273368951 334764651 /nfs/dbraw/zinc/76/46/51/334764651.db2.gz CDGVBTVSFNLEIM-CYBMUJFWSA-N 2 1 295.386 3.401 20 10 CGCDMP Oc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192920530 534457440 /nfs/dbraw/zinc/45/74/40/534457440.db2.gz IBQOMQCSWQBRFS-KRWDZBQOSA-N 2 1 296.414 3.004 20 10 CGCDMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C)cc1O ZINC000280265797 522813539 /nfs/dbraw/zinc/81/35/39/522813539.db2.gz XNXUHRFZNZWGPR-MRXNPFEDSA-N 2 1 276.424 3.226 20 10 CGCDMP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1O ZINC000278590671 525425816 /nfs/dbraw/zinc/42/58/16/525425816.db2.gz YVOKVOSLZBGBQQ-GFCCVEGCSA-N 2 1 292.398 3.056 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(O)c1C ZINC000278916579 525923363 /nfs/dbraw/zinc/92/33/63/525923363.db2.gz HJUAIIOBOJUHOS-GJZGRUSLSA-N 2 1 299.418 3.119 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158129580 618617062 /nfs/dbraw/zinc/61/70/62/618617062.db2.gz ZNSAIRQVKJEYQE-HOTGVXAUSA-N 2 1 289.467 3.135 20 10 CGCDMP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185351138 625349657 /nfs/dbraw/zinc/34/96/57/625349657.db2.gz LEFCNLHPJJIDRN-CYBMUJFWSA-N 2 1 294.414 3.304 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1O ZINC000841745098 620351118 /nfs/dbraw/zinc/35/11/18/620351118.db2.gz NFKUIIUOAGJEEF-RYUDHWBXSA-N 2 1 294.826 3.181 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1O ZINC000841745098 620351121 /nfs/dbraw/zinc/35/11/21/620351121.db2.gz NFKUIIUOAGJEEF-RYUDHWBXSA-N 2 1 294.826 3.181 20 10 CGCDMP Oc1cccc(Cl)c1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960081 621837651 /nfs/dbraw/zinc/83/76/51/621837651.db2.gz WPSWSYHEOFBXSX-INIZCTEOSA-N 2 1 294.826 3.011 20 10 CGCDMP CCCN(CCC)c1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000841082162 622275747 /nfs/dbraw/zinc/27/57/47/622275747.db2.gz WOUYBEQMKDLFGE-GJZGRUSLSA-N 2 1 277.456 3.138 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000230658142 623261197 /nfs/dbraw/zinc/26/11/97/623261197.db2.gz MOVFQFDBXSPSCN-CQSZACIVSA-N 2 1 264.413 3.082 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166433 627300654 /nfs/dbraw/zinc/30/06/54/627300654.db2.gz QWMTWXOTPBQQRH-ZOBUZTSGSA-N 2 1 289.467 3.276 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166433 627300658 /nfs/dbraw/zinc/30/06/58/627300658.db2.gz QWMTWXOTPBQQRH-ZOBUZTSGSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165934 627300909 /nfs/dbraw/zinc/30/09/09/627300909.db2.gz MTULGFBMKLCAQU-HFTRVMKXSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165934 627300913 /nfs/dbraw/zinc/30/09/13/627300913.db2.gz MTULGFBMKLCAQU-HFTRVMKXSA-N 2 1 289.467 3.276 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000808692894 630665232 /nfs/dbraw/zinc/66/52/32/630665232.db2.gz BCIHVUWSCIWCGU-QWHCGFSZSA-N 2 1 296.842 3.346 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000815578419 631799690 /nfs/dbraw/zinc/79/96/90/631799690.db2.gz NVMGPCKXRAMTQJ-LSDHHAIUSA-N 2 1 276.424 3.001 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000817963065 632258779 /nfs/dbraw/zinc/25/87/79/632258779.db2.gz ROSXTMPNIWNYFJ-DZGCQCFKSA-N 2 1 264.413 3.259 20 10 CGCDMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817977822 632268952 /nfs/dbraw/zinc/26/89/52/632268952.db2.gz PYJPMJTUEFATEA-BDAKNGLRSA-N 2 1 291.222 3.477 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000817982473 632273267 /nfs/dbraw/zinc/27/32/67/632273267.db2.gz SSJZSOJYHUWEEV-RDTXWAMCSA-N 2 1 289.467 3.311 20 10 CGCDMP C[N@H+](CCCCCC[NH3+])Cc1c(O)ccc(Cl)c1F ZINC000873231423 634293185 /nfs/dbraw/zinc/29/31/85/634293185.db2.gz IJVOOBAYOYAYAF-UHFFFAOYSA-N 2 1 288.794 3.136 20 10 CGCDMP C[N@@H+](CCCCCC[NH3+])Cc1c(O)ccc(Cl)c1F ZINC000873231423 634293191 /nfs/dbraw/zinc/29/31/91/634293191.db2.gz IJVOOBAYOYAYAF-UHFFFAOYSA-N 2 1 288.794 3.136 20 10 CGCDMP C[N@@H+](CCC[NH2+]Cc1ccccc1O)Cc1ccccc1 ZINC000019913238 634375721 /nfs/dbraw/zinc/37/57/21/634375721.db2.gz KPHWFRZJJGMHGD-UHFFFAOYSA-N 2 1 284.403 3.004 20 10 CGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)cccc2O)CC1 ZINC000876623411 634869797 /nfs/dbraw/zinc/86/97/97/634869797.db2.gz HEFIEOJUCDYXBA-UHFFFAOYSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000843048160 635550335 /nfs/dbraw/zinc/55/03/35/635550335.db2.gz QJGYSSMCQMPQLG-SJORKVTESA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000843048160 635550346 /nfs/dbraw/zinc/55/03/46/635550346.db2.gz QJGYSSMCQMPQLG-SJORKVTESA-N 2 1 288.435 3.116 20 10 CGCDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000843056501 635553797 /nfs/dbraw/zinc/55/37/97/635553797.db2.gz OCAKMIYMKQGOHG-HPFMTEOYSA-N 2 1 289.467 3.071 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(CC)c1O ZINC001181515320 810057642 /nfs/dbraw/zinc/05/76/42/810057642.db2.gz SBLHBFRBMATBAT-UHFFFAOYSA-N 2 1 278.440 3.118 20 10 CGCDMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205325195 812955717 /nfs/dbraw/zinc/95/57/17/812955717.db2.gz LOCPBSYQTICPCS-HNNXBMFYSA-N 2 1 297.446 3.090 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1C[NH3+] ZINC001205651523 813042717 /nfs/dbraw/zinc/04/27/17/813042717.db2.gz GDIWXDIYNVPYBG-WMLDXEAASA-N 2 1 298.430 3.352 20 10 CGCDMP Cc1c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205814274 813090905 /nfs/dbraw/zinc/09/09/05/813090905.db2.gz BYCMBKQLHVRODL-HIFRSBDPSA-N 2 1 285.435 3.046 20 10 CGCDMP Cc1c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205814274 813090911 /nfs/dbraw/zinc/09/09/11/813090911.db2.gz BYCMBKQLHVRODL-HIFRSBDPSA-N 2 1 285.435 3.046 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205903573 813126485 /nfs/dbraw/zinc/12/64/85/813126485.db2.gz QCYYFLAXWUKUFE-WBVHZDCISA-N 2 1 289.467 3.092 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC001206026506 813170657 /nfs/dbraw/zinc/17/06/57/813170657.db2.gz SNWRGLXTHINKHE-HOCLYGCPSA-N 2 1 290.451 3.322 20 10 CGCDMP C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H]1[NH3+] ZINC001206035625 813175280 /nfs/dbraw/zinc/17/52/80/813175280.db2.gz CQZALTHCAZIOIA-RDTXWAMCSA-N 2 1 297.446 3.075 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H]1[NH3+] ZINC001206035625 813175284 /nfs/dbraw/zinc/17/52/84/813175284.db2.gz CQZALTHCAZIOIA-RDTXWAMCSA-N 2 1 297.446 3.075 20 10 CGCDMP CC[NH2+]C1CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC001235726580 819155643 /nfs/dbraw/zinc/15/56/43/819155643.db2.gz UGCLEPKBRQHPSG-UHFFFAOYSA-N 2 1 289.467 3.107 20 10 CGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC001235748633 819160402 /nfs/dbraw/zinc/16/04/02/819160402.db2.gz CTLNZXJMYFGJDF-LLVKDONJSA-N 2 1 296.842 3.124 20 10 CGCDMP C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205262 819367839 /nfs/dbraw/zinc/36/78/39/819367839.db2.gz CVQBWRBODFNEND-SFHVURJKSA-N 2 1 290.451 3.264 20 10 CGCDMP C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205262 819367843 /nfs/dbraw/zinc/36/78/43/819367843.db2.gz CVQBWRBODFNEND-SFHVURJKSA-N 2 1 290.451 3.264 20 10 CGCDMP CC(C)c1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c(O)c1 ZINC001236206171 819368535 /nfs/dbraw/zinc/36/85/35/819368535.db2.gz IZOBBEPANDLCJC-QGZVFWFLSA-N 2 1 276.424 3.090 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c(O)c1 ZINC001236206171 819368539 /nfs/dbraw/zinc/36/85/39/819368539.db2.gz IZOBBEPANDLCJC-QGZVFWFLSA-N 2 1 276.424 3.090 20 10 CGCDMP C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219644 819385391 /nfs/dbraw/zinc/38/53/91/819385391.db2.gz XCVBUINXDAVXFY-HOTGVXAUSA-N 2 1 290.451 3.391 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236417746 819463881 /nfs/dbraw/zinc/46/38/81/819463881.db2.gz CXLCIWQBIXOIOE-QFBILLFUSA-N 2 1 297.446 3.406 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236417746 819463887 /nfs/dbraw/zinc/46/38/87/819463887.db2.gz CXLCIWQBIXOIOE-QFBILLFUSA-N 2 1 297.446 3.406 20 10 CGCDMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001462464490 937643247 /nfs/dbraw/zinc/64/32/47/937643247.db2.gz ZLHIXONNMNFVFE-XJKSGUPXSA-N 2 1 294.414 3.084 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC001331835093 935412981 /nfs/dbraw/zinc/41/29/81/935412981.db2.gz PRIOESUIAHGDTH-VHDGCEQUSA-N 2 1 288.435 3.356 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000293687355 372450994 /nfs/dbraw/zinc/45/09/94/372450994.db2.gz KSZMWJWOJPWGKO-CVEARBPZSA-N 2 1 290.451 3.392 20 10 CGCDMP CN1CC[C@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)[C@H]2C1 ZINC000272226332 378589280 /nfs/dbraw/zinc/58/92/80/378589280.db2.gz JFVRGMRDMYNWEH-YJBOKZPZSA-N 2 1 296.414 3.071 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1O ZINC000530217404 333528528 /nfs/dbraw/zinc/52/85/28/333528528.db2.gz SSRXUGDRSOVMIE-GUYCJALGSA-N 2 1 296.414 3.481 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000280011098 519862327 /nfs/dbraw/zinc/86/23/27/519862327.db2.gz GRYYDKJIRKXZNE-RDJZCZTQSA-N 2 1 290.451 3.473 20 10 CGCDMP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185351120 625349223 /nfs/dbraw/zinc/34/92/23/625349223.db2.gz LEFCNLHPJJIDRN-ZDUSSCGKSA-N 2 1 294.414 3.304 20 10 CGCDMP CCC[N@H+](Cc1ccccc1O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888507 621823489 /nfs/dbraw/zinc/82/34/89/621823489.db2.gz DNHNSCAEYHMVIP-ZXFUBFMLSA-N 2 1 288.435 3.135 20 10 CGCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(F)c1[O-] ZINC000230745002 623267261 /nfs/dbraw/zinc/26/72/61/623267261.db2.gz IJRMFHLTMDIEEP-UHFFFAOYSA-N 2 1 282.403 3.085 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(O)c1 ZINC000788505387 629060675 /nfs/dbraw/zinc/06/06/75/629060675.db2.gz GKQSUVVJUQSSLH-HNNXBMFYSA-N 2 1 278.440 3.390 20 10 CGCDMP CCN(CC)c1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000817889766 632229092 /nfs/dbraw/zinc/22/90/92/632229092.db2.gz VMVMVCWEOVHHHG-CQSZACIVSA-N 2 1 298.434 3.191 20 10 CGCDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916917 635082599 /nfs/dbraw/zinc/08/25/99/635082599.db2.gz NUUQOSSKFSYQLM-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916917 635082608 /nfs/dbraw/zinc/08/26/08/635082608.db2.gz NUUQOSSKFSYQLM-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916917 635082613 /nfs/dbraw/zinc/08/26/13/635082613.db2.gz NUUQOSSKFSYQLM-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916917 635082616 /nfs/dbraw/zinc/08/26/16/635082616.db2.gz NUUQOSSKFSYQLM-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)C[NH+]1CCCC1 ZINC000841745305 635222697 /nfs/dbraw/zinc/22/26/97/635222697.db2.gz POPYEUMKPBQSDS-CHWSQXEVSA-N 2 1 296.842 3.428 20 10 CGCDMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000844926410 635987267 /nfs/dbraw/zinc/98/72/67/635987267.db2.gz ZTCXGBWNPFBZFM-GFCCVEGCSA-N 2 1 288.366 3.102 20 10 CGCDMP CCc1cccc(C[NH2+]CCCCn2cc[nH+]c2C)c1O ZINC000848897314 636679657 /nfs/dbraw/zinc/67/96/57/636679657.db2.gz OSPRXYWWBWLFMS-UHFFFAOYSA-N 2 1 287.407 3.030 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000858490443 638741457 /nfs/dbraw/zinc/74/14/57/638741457.db2.gz HJQOQOXKQHKBRV-STQMWFEESA-N 2 1 296.842 3.428 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000155275006 639927090 /nfs/dbraw/zinc/92/70/90/639927090.db2.gz FYPMGBAXIDCJPU-HOCLYGCPSA-N 2 1 276.424 3.165 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416611 640844164 /nfs/dbraw/zinc/84/41/64/640844164.db2.gz OPGWUCFPHSTUEK-SWLSCSKDSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416611 640844167 /nfs/dbraw/zinc/84/41/67/640844167.db2.gz OPGWUCFPHSTUEK-SWLSCSKDSA-N 2 1 294.826 3.010 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(O)c1 ZINC000700818927 799880248 /nfs/dbraw/zinc/88/02/48/799880248.db2.gz PIQYSBOZIWMEMM-GJZGRUSLSA-N 2 1 276.424 3.083 20 10 CGCDMP CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c2ccccc21 ZINC001204938853 812787043 /nfs/dbraw/zinc/78/70/43/812787043.db2.gz NMNSBWFLMYTBFV-LJQANCHMSA-N 2 1 297.446 3.219 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)c2ccccc21 ZINC001204938853 812787049 /nfs/dbraw/zinc/78/70/49/812787049.db2.gz NMNSBWFLMYTBFV-LJQANCHMSA-N 2 1 297.446 3.219 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205637732 813035825 /nfs/dbraw/zinc/03/58/25/813035825.db2.gz IIFZHFUUNDRVQE-DGCLKSJQSA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831188 813101942 /nfs/dbraw/zinc/10/19/42/813101942.db2.gz WUMKLOWILQRCPT-DZGCQCFKSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831188 813101945 /nfs/dbraw/zinc/10/19/45/813101945.db2.gz WUMKLOWILQRCPT-DZGCQCFKSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1cc(C[N@H+]2CC[NH2+]C[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001206269892 813266238 /nfs/dbraw/zinc/26/62/38/813266238.db2.gz XGNVFZNBLRMLCE-HNNXBMFYSA-N 2 1 297.446 3.135 20 10 CGCDMP Cc1cc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001206269892 813266245 /nfs/dbraw/zinc/26/62/45/813266245.db2.gz XGNVFZNBLRMLCE-HNNXBMFYSA-N 2 1 297.446 3.135 20 10 CGCDMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001206276263 813267778 /nfs/dbraw/zinc/26/77/78/813267778.db2.gz DELCJRAXHDAKPH-HNNXBMFYSA-N 2 1 296.414 3.101 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(O)c1 ZINC001206639528 813382792 /nfs/dbraw/zinc/38/27/92/813382792.db2.gz DNSBRKNCWICDQK-AWEZNQCLSA-N 2 1 276.424 3.076 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[NH2+]1 ZINC001210498265 814491389 /nfs/dbraw/zinc/49/13/89/814491389.db2.gz QBLHPDPJVVWULO-HNNXBMFYSA-N 2 1 296.414 3.243 20 10 CGCDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1O ZINC001222390483 816428270 /nfs/dbraw/zinc/42/82/70/816428270.db2.gz PTDQIEDLRYCIHD-SFHVURJKSA-N 2 1 288.435 3.117 20 10 CGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1O ZINC001222390483 816428272 /nfs/dbraw/zinc/42/82/72/816428272.db2.gz PTDQIEDLRYCIHD-SFHVURJKSA-N 2 1 288.435 3.117 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1O ZINC001236212893 819374127 /nfs/dbraw/zinc/37/41/27/819374127.db2.gz AIDAMCXWINRQBP-ZIAGYGMSSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1O ZINC001236212893 819374133 /nfs/dbraw/zinc/37/41/33/819374133.db2.gz AIDAMCXWINRQBP-ZIAGYGMSSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236214704 819377521 /nfs/dbraw/zinc/37/75/21/819377521.db2.gz DTZITHLSZAVRJE-ZIAGYGMSSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236214704 819377527 /nfs/dbraw/zinc/37/75/27/819377527.db2.gz DTZITHLSZAVRJE-ZIAGYGMSSA-N 2 1 282.815 3.056 20 10 CGCDMP Nc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236377189 819442403 /nfs/dbraw/zinc/44/24/03/819442403.db2.gz XVGGOXOWNAIPGD-MRXNPFEDSA-N 2 1 287.451 3.013 20 10 CGCDMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420485 819467328 /nfs/dbraw/zinc/46/73/28/819467328.db2.gz MTYHFOHBERDWCP-KSSFIOAISA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420485 819467333 /nfs/dbraw/zinc/46/73/33/819467333.db2.gz MTYHFOHBERDWCP-KSSFIOAISA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001462464488 937642789 /nfs/dbraw/zinc/64/27/89/937642789.db2.gz ZLHIXONNMNFVFE-CZUORRHYSA-N 2 1 294.414 3.084 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000293596341 372420320 /nfs/dbraw/zinc/42/03/20/372420320.db2.gz FUKVMAXBUYCALH-CQSZACIVSA-N 2 1 288.435 3.286 20 10 CGCDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550811 374022143 /nfs/dbraw/zinc/02/21/43/374022143.db2.gz CPUHVEYQZHFCIK-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550811 374022147 /nfs/dbraw/zinc/02/21/47/374022147.db2.gz CPUHVEYQZHFCIK-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550811 374022151 /nfs/dbraw/zinc/02/21/51/374022151.db2.gz CPUHVEYQZHFCIK-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550811 374022154 /nfs/dbraw/zinc/02/21/54/374022154.db2.gz CPUHVEYQZHFCIK-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000475200320 375131980 /nfs/dbraw/zinc/13/19/80/375131980.db2.gz ZXUNAAGWJWRSBP-YOEHRIQHSA-N 2 1 299.462 3.307 20 10 CGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1O ZINC000290589104 328259630 /nfs/dbraw/zinc/25/96/30/328259630.db2.gz VDQJYHDPCKBXAZ-UHFFFAOYSA-N 2 1 287.407 3.063 20 10 CGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1O ZINC000290589104 328259631 /nfs/dbraw/zinc/25/96/31/328259631.db2.gz VDQJYHDPCKBXAZ-UHFFFAOYSA-N 2 1 287.407 3.063 20 10 CGCDMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000839182917 626326726 /nfs/dbraw/zinc/32/67/26/626326726.db2.gz RTXWYXSZOYBTMU-GDBMZVCRSA-N 2 1 276.424 3.165 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165935 627300670 /nfs/dbraw/zinc/30/06/70/627300670.db2.gz MTULGFBMKLCAQU-KYJSFNMBSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165935 627300673 /nfs/dbraw/zinc/30/06/73/627300673.db2.gz MTULGFBMKLCAQU-KYJSFNMBSA-N 2 1 289.467 3.276 20 10 CGCDMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000790751886 629227403 /nfs/dbraw/zinc/22/74/03/629227403.db2.gz YXHRHBZMXBNKTD-CYBMUJFWSA-N 2 1 294.414 3.304 20 10 CGCDMP Oc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc2ccccc21 ZINC000816536339 632006225 /nfs/dbraw/zinc/00/62/25/632006225.db2.gz SJUWZUBIGZVWNV-SJORKVTESA-N 2 1 296.414 3.262 20 10 CGCDMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958179 632253552 /nfs/dbraw/zinc/25/35/52/632253552.db2.gz IMYVHLFOJMTCJF-RDJZCZTQSA-N 2 1 277.456 3.167 20 10 CGCDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1O ZINC000817958140 632253816 /nfs/dbraw/zinc/25/38/16/632253816.db2.gz IGTOJEPLUZOMKZ-HZPDHXFCSA-N 2 1 276.424 3.341 20 10 CGCDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979057 632270484 /nfs/dbraw/zinc/27/04/84/632270484.db2.gz HSLKRWKIWOBYQS-RDJZCZTQSA-N 2 1 289.467 3.455 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000825699063 633374937 /nfs/dbraw/zinc/37/49/37/633374937.db2.gz RVDHNELQELUAFZ-AWEZNQCLSA-N 2 1 296.842 3.270 20 10 CGCDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841744612 635222150 /nfs/dbraw/zinc/22/21/50/635222150.db2.gz JGMKXRJWXRLLHE-OLZOCXBDSA-N 2 1 296.842 3.428 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841744612 635222158 /nfs/dbraw/zinc/22/21/58/635222158.db2.gz JGMKXRJWXRLLHE-OLZOCXBDSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)cc1O ZINC000841745315 635222347 /nfs/dbraw/zinc/22/23/47/635222347.db2.gz XLELZRDFHNQSSA-LBPRGKRZSA-N 2 1 282.815 3.182 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(O)c1 ZINC001206810531 813444132 /nfs/dbraw/zinc/44/41/32/813444132.db2.gz NQGPGNGNSZFWGC-UONOGXRCSA-N 2 1 276.424 3.075 20 10 CGCDMP Cc1ccc(O)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001275311800 808927899 /nfs/dbraw/zinc/92/78/99/808927899.db2.gz OIJZTZUGQHGYOR-UHFFFAOYSA-N 2 1 288.435 3.008 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205273871 812926476 /nfs/dbraw/zinc/92/64/76/812926476.db2.gz QOGDJAYYVGQRCH-MRXNPFEDSA-N 2 1 295.858 3.109 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288358 812931880 /nfs/dbraw/zinc/93/18/80/812931880.db2.gz JMNRQLCOVMVSCN-GOSISDBHSA-N 2 1 290.451 3.393 20 10 CGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c(O)c1 ZINC001205938363 813140163 /nfs/dbraw/zinc/14/01/63/813140163.db2.gz GVQHEBMHFYJDHN-HNNXBMFYSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c(O)c1 ZINC001205938363 813140167 /nfs/dbraw/zinc/14/01/67/813140167.db2.gz GVQHEBMHFYJDHN-HNNXBMFYSA-N 2 1 276.424 3.003 20 10 CGCDMP C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206014552 813166652 /nfs/dbraw/zinc/16/66/52/813166652.db2.gz XOAWAOPJEWDUGV-ZBFHGGJFSA-N 2 1 298.430 3.352 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206269301 813264151 /nfs/dbraw/zinc/26/41/51/813264151.db2.gz JXKLUHWZPHDWHB-HNNXBMFYSA-N 2 1 297.446 3.135 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206269301 813264158 /nfs/dbraw/zinc/26/41/58/813264158.db2.gz JXKLUHWZPHDWHB-HNNXBMFYSA-N 2 1 297.446 3.135 20 10 CGCDMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001206276264 813266713 /nfs/dbraw/zinc/26/67/13/813266713.db2.gz DELCJRAXHDAKPH-OAHLLOKOSA-N 2 1 296.414 3.101 20 10 CGCDMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001206767900 813430397 /nfs/dbraw/zinc/43/03/97/813430397.db2.gz FYQDZIMFEUETTI-ZIAGYGMSSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1ccc(C)c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1O ZINC001235169225 819023298 /nfs/dbraw/zinc/02/32/98/819023298.db2.gz WVENEACKXWHCMG-GOSISDBHSA-N 2 1 288.435 3.117 20 10 CGCDMP Cc1cc(F)cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236478656 819495110 /nfs/dbraw/zinc/49/51/10/819495110.db2.gz KEVNKZFTZZAXKH-MRXNPFEDSA-N 2 1 294.414 3.050 20 10 CGCDMP Cc1cc(F)cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236478656 819495111 /nfs/dbraw/zinc/49/51/11/819495111.db2.gz KEVNKZFTZZAXKH-MRXNPFEDSA-N 2 1 294.414 3.050 20 10 CGCDMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC001348852824 936936296 /nfs/dbraw/zinc/93/62/96/936936296.db2.gz PVMZPEWSTLHGHW-BDAKNGLRSA-N 2 1 291.222 3.205 20 10 CGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183495010 374419967 /nfs/dbraw/zinc/41/99/67/374419967.db2.gz ZZYFLVKSQGIBAL-GJZGRUSLSA-N 2 1 276.424 3.163 20 10 CGCDMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C)cc1O ZINC000280079191 522590032 /nfs/dbraw/zinc/59/00/32/522590032.db2.gz LQLJZNIMZUZQPV-INIZCTEOSA-N 2 1 287.407 3.337 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1O ZINC000280011069 522617826 /nfs/dbraw/zinc/61/78/26/522617826.db2.gz GRTHFTUIVGWWEJ-YOEHRIQHSA-N 2 1 288.435 3.226 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1O ZINC000280173514 522865674 /nfs/dbraw/zinc/86/56/74/522865674.db2.gz RGXNNRKTQPJAGA-GDBMZVCRSA-N 2 1 276.424 3.083 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000769469929 627557078 /nfs/dbraw/zinc/55/70/78/627557078.db2.gz HSHABHOMDALFDV-WBVHZDCISA-N 2 1 290.451 3.314 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000769469929 627557080 /nfs/dbraw/zinc/55/70/80/627557080.db2.gz HSHABHOMDALFDV-WBVHZDCISA-N 2 1 290.451 3.314 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000769469929 627557084 /nfs/dbraw/zinc/55/70/84/627557084.db2.gz HSHABHOMDALFDV-WBVHZDCISA-N 2 1 290.451 3.314 20 10 CGCDMP Oc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2ccccc21 ZINC000816536336 632005220 /nfs/dbraw/zinc/00/52/20/632005220.db2.gz SJUWZUBIGZVWNV-DLBZAZTESA-N 2 1 296.414 3.262 20 10 CGCDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816610268 632022426 /nfs/dbraw/zinc/02/24/26/632022426.db2.gz DWMBZXDTDPMVHW-OAHLLOKOSA-N 2 1 298.430 3.365 20 10 CGCDMP CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000817900587 632231496 /nfs/dbraw/zinc/23/14/96/632231496.db2.gz OCRMDSFQMSMUDW-IAGOWNOFSA-N 2 1 299.393 3.126 20 10 CGCDMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817960532 632255888 /nfs/dbraw/zinc/25/58/88/632255888.db2.gz MTBNZJUCRSDYJS-ZDUSSCGKSA-N 2 1 293.430 3.204 20 10 CGCDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960388 632256380 /nfs/dbraw/zinc/25/63/80/632256380.db2.gz YNFFQTSUISPVLU-KDOFPFPSSA-N 2 1 289.467 3.311 20 10 CGCDMP C[C@H](C[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817966406 632261455 /nfs/dbraw/zinc/26/14/55/632261455.db2.gz NAJIMGJXWNCOGN-RHSMWYFYSA-N 2 1 284.403 3.003 20 10 CGCDMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970586 632264273 /nfs/dbraw/zinc/26/42/73/632264273.db2.gz ALDRPJQIYRDMNE-HUUCEWRRSA-N 2 1 275.440 3.065 20 10 CGCDMP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000866518058 633171208 /nfs/dbraw/zinc/17/12/08/633171208.db2.gz SSFYUORXWWOIGR-MKQDKFQKSA-N 2 1 294.414 3.445 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000825122082 633330744 /nfs/dbraw/zinc/33/07/44/633330744.db2.gz WKZDEKJXNSVPCH-ZIAGYGMSSA-N 2 1 294.826 3.070 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759704 634893739 /nfs/dbraw/zinc/89/37/39/634893739.db2.gz QOUGAPIIHRHZAM-CABCVRRESA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759704 634893741 /nfs/dbraw/zinc/89/37/41/634893741.db2.gz QOUGAPIIHRHZAM-CABCVRRESA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759704 634893745 /nfs/dbraw/zinc/89/37/45/634893745.db2.gz QOUGAPIIHRHZAM-CABCVRRESA-N 2 1 276.424 3.005 20 10 CGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(CC)c2O)CC1 ZINC000848882702 636671921 /nfs/dbraw/zinc/67/19/21/636671921.db2.gz YNQWFYRRGZQFRQ-UHFFFAOYSA-N 2 1 290.451 3.261 20 10 CGCDMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(N2CCCCC2)cc1 ZINC000854226569 638027220 /nfs/dbraw/zinc/02/72/20/638027220.db2.gz IFEVZTXZCZJTTP-LYGPFTKASA-N 2 1 299.462 3.080 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858138650 638640863 /nfs/dbraw/zinc/64/08/63/638640863.db2.gz GZRFCHCZXOGEFS-MRXNPFEDSA-N 2 1 289.467 3.023 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(O)c1 ZINC000858490787 638740281 /nfs/dbraw/zinc/74/02/81/638740281.db2.gz OKYUPWWGSXFCLD-HZPDHXFCSA-N 2 1 290.451 3.392 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000700818079 799880317 /nfs/dbraw/zinc/88/03/17/799880317.db2.gz JJJNAWABHYASGL-HUUCEWRRSA-N 2 1 276.424 3.083 20 10 CGCDMP C[N@@H+](Cc1ccccc1O)C1CC[NH+](C(C)(C)C)CC1 ZINC001256575533 806921048 /nfs/dbraw/zinc/92/10/48/806921048.db2.gz PRXPQTRLEGIXIG-UHFFFAOYSA-N 2 1 276.424 3.087 20 10 CGCDMP Cc1cccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1O ZINC001276080476 808987511 /nfs/dbraw/zinc/98/75/11/808987511.db2.gz PCZBQIYQDZCPCI-UHFFFAOYSA-N 2 1 288.435 3.008 20 10 CGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204947365 812792908 /nfs/dbraw/zinc/79/29/08/812792908.db2.gz XTVNMFMPNLVESC-QGZVFWFLSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204947365 812792914 /nfs/dbraw/zinc/79/29/14/812792914.db2.gz XTVNMFMPNLVESC-QGZVFWFLSA-N 2 1 276.424 3.003 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205064566 812843363 /nfs/dbraw/zinc/84/33/63/812843363.db2.gz QYRZRPLNKICOHX-LIRRHRJNSA-N 2 1 297.446 3.406 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205064566 812843374 /nfs/dbraw/zinc/84/33/74/812843374.db2.gz QYRZRPLNKICOHX-LIRRHRJNSA-N 2 1 297.446 3.406 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1O ZINC001205288635 812931405 /nfs/dbraw/zinc/93/14/05/812931405.db2.gz MJMKQFHBJLFAFK-HNNXBMFYSA-N 2 1 282.815 3.057 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805844 813085928 /nfs/dbraw/zinc/08/59/28/813085928.db2.gz SEDSTXGNDWANIM-MAUKXSAKSA-N 2 1 289.467 3.092 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805844 813085936 /nfs/dbraw/zinc/08/59/36/813085936.db2.gz SEDSTXGNDWANIM-MAUKXSAKSA-N 2 1 289.467 3.092 20 10 CGCDMP Cc1c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c2ccccc2n1C ZINC001205902077 813125312 /nfs/dbraw/zinc/12/53/12/813125312.db2.gz HQUFBXUOOARFEE-HIFRSBDPSA-N 2 1 285.435 3.046 20 10 CGCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001205913893 813131575 /nfs/dbraw/zinc/13/15/75/813131575.db2.gz KLYXUCPOSNTVOB-HIFRSBDPSA-N 2 1 284.403 3.105 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC001206026504 813170339 /nfs/dbraw/zinc/17/03/39/813170339.db2.gz SNWRGLXTHINKHE-GOEBONIOSA-N 2 1 290.451 3.322 20 10 CGCDMP CCc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(O)c1 ZINC001206598733 813369619 /nfs/dbraw/zinc/36/96/19/813369619.db2.gz LWWILTNWOOTMNP-KRWDZBQOSA-N 2 1 290.451 3.307 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001206806216 813441499 /nfs/dbraw/zinc/44/14/99/813441499.db2.gz GARIDUPNKYOMQR-KBPBESRZSA-N 2 1 290.451 3.249 20 10 CGCDMP CN(C)c1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC001209452881 814047029 /nfs/dbraw/zinc/04/70/29/814047029.db2.gz UTXIDEXGFZDRIS-UHFFFAOYSA-N 2 1 289.467 3.060 20 10 CGCDMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1O ZINC001232015070 818232820 /nfs/dbraw/zinc/23/28/20/818232820.db2.gz AFNNUSWHOHZXCL-UHFFFAOYSA-N 2 1 281.359 3.291 20 10 CGCDMP Cc1ccc(C)c(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236477739 819495356 /nfs/dbraw/zinc/49/53/56/819495356.db2.gz KYKHHLKUMFTEKP-MRXNPFEDSA-N 2 1 290.451 3.219 20 10 CGCDMP Cc1cccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236655623 819562881 /nfs/dbraw/zinc/56/28/81/819562881.db2.gz ZWQPRJVLRUYXKA-QGZVFWFLSA-N 2 1 288.435 3.197 20 10 CGCDMP Cc1cccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236655623 819562883 /nfs/dbraw/zinc/56/28/83/819562883.db2.gz ZWQPRJVLRUYXKA-QGZVFWFLSA-N 2 1 288.435 3.197 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1O ZINC001237056078 819654929 /nfs/dbraw/zinc/65/49/29/819654929.db2.gz GBZLQJDQLGDZQX-SFHVURJKSA-N 2 1 290.451 3.251 20 10 CGCDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000295866331 372940703 /nfs/dbraw/zinc/94/07/03/372940703.db2.gz FUZOZNOMSOANAN-ZVRJUHEZSA-N 2 1 287.451 3.028 20 10 CGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccccc1O ZINC000179877723 373934285 /nfs/dbraw/zinc/93/42/85/373934285.db2.gz LJDPDWMJFWVEFZ-ZDUSSCGKSA-N 2 1 273.380 3.028 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000285175863 380145811 /nfs/dbraw/zinc/14/58/11/380145811.db2.gz NBDNSDSSQBCNNI-CQSZACIVSA-N 2 1 287.407 3.255 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000035628922 172307700 /nfs/dbraw/zinc/30/77/00/172307700.db2.gz FQRGYQGTOVFQBS-AWEZNQCLSA-N 2 1 276.424 3.224 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000037292610 278282846 /nfs/dbraw/zinc/28/28/46/278282846.db2.gz NJUWQDIQQFJUAB-JCGIZDLHSA-N 2 1 287.451 3.030 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000037292610 278282848 /nfs/dbraw/zinc/28/28/48/278282848.db2.gz NJUWQDIQQFJUAB-JCGIZDLHSA-N 2 1 287.451 3.030 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1O ZINC000251250228 334358954 /nfs/dbraw/zinc/35/89/54/334358954.db2.gz MRQNQKGSIPYRBT-YCPHGPKFSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1O ZINC000280173518 522615463 /nfs/dbraw/zinc/61/54/63/522615463.db2.gz RGXNNRKTQPJAGA-HOCLYGCPSA-N 2 1 276.424 3.083 20 10 CGCDMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743956 620345242 /nfs/dbraw/zinc/34/52/42/620345242.db2.gz DMJUEDDIKCGPQP-RYUDHWBXSA-N 2 1 282.815 3.038 20 10 CGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743956 620345244 /nfs/dbraw/zinc/34/52/44/620345244.db2.gz DMJUEDDIKCGPQP-RYUDHWBXSA-N 2 1 282.815 3.038 20 10 CGCDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1O ZINC000062744822 623265299 /nfs/dbraw/zinc/26/52/99/623265299.db2.gz BSCLTWUKIRCTAH-KGLIPLIRSA-N 2 1 294.414 3.446 20 10 CGCDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1O ZINC000062744822 623265301 /nfs/dbraw/zinc/26/53/01/623265301.db2.gz BSCLTWUKIRCTAH-KGLIPLIRSA-N 2 1 294.414 3.446 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000808698963 630666652 /nfs/dbraw/zinc/66/66/52/630666652.db2.gz OIOWOEUNNFHURP-MBNYWOFBSA-N 2 1 296.842 3.487 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000808698963 630666653 /nfs/dbraw/zinc/66/66/53/630666653.db2.gz OIOWOEUNNFHURP-MBNYWOFBSA-N 2 1 296.842 3.487 20 10 CGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)ccc1O ZINC000809750491 630799299 /nfs/dbraw/zinc/79/92/99/630799299.db2.gz XZZSMFPVUBSGKU-UHFFFAOYSA-N 2 1 296.842 3.353 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC000809749833 630799332 /nfs/dbraw/zinc/79/93/32/630799332.db2.gz KWKWFLHBUYQNPM-UHFFFAOYSA-N 2 1 291.483 3.306 20 10 CGCDMP Cc1cccc(O)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000876562341 634858815 /nfs/dbraw/zinc/85/88/15/634858815.db2.gz YZZYVNLOTXLDQW-UHFFFAOYSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CCC[N@H+](C)C(C)C)cc1Cl ZINC000825089824 633327901 /nfs/dbraw/zinc/32/79/01/633327901.db2.gz KMMMCVKLYGJQQV-UHFFFAOYSA-N 2 1 284.831 3.174 20 10 CGCDMP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cc1O ZINC000834908324 634283091 /nfs/dbraw/zinc/28/30/91/634283091.db2.gz INFQKFUFRHVXNR-LBPRGKRZSA-N 2 1 280.387 3.056 20 10 CGCDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1O ZINC000834908324 634283097 /nfs/dbraw/zinc/28/30/97/634283097.db2.gz INFQKFUFRHVXNR-LBPRGKRZSA-N 2 1 280.387 3.056 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CCCC[N@H+](C)C2CC2)c(Cl)c1 ZINC000840953087 635092146 /nfs/dbraw/zinc/09/21/46/635092146.db2.gz MGFFFGJFVOSRKY-UHFFFAOYSA-N 2 1 296.842 3.318 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841029214 635109338 /nfs/dbraw/zinc/10/93/38/635109338.db2.gz MDXYWNIHDXETCZ-KRWDZBQOSA-N 2 1 289.467 3.284 20 10 CGCDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000841758613 635232070 /nfs/dbraw/zinc/23/20/70/635232070.db2.gz UAEYIYPBZSNBLW-OLZOCXBDSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000841758613 635232073 /nfs/dbraw/zinc/23/20/73/635232073.db2.gz UAEYIYPBZSNBLW-OLZOCXBDSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1c(O)cccc1F ZINC000886615801 637607172 /nfs/dbraw/zinc/60/71/72/637607172.db2.gz NXXYXCIOWNKNMU-CQSZACIVSA-N 2 1 294.414 3.448 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916043 798879195 /nfs/dbraw/zinc/87/91/95/798879195.db2.gz OPGWUCFPHSTUEK-DOMZBBRYSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916043 798879202 /nfs/dbraw/zinc/87/92/02/798879202.db2.gz OPGWUCFPHSTUEK-DOMZBBRYSA-N 2 1 294.826 3.010 20 10 CGCDMP CC[N@H+](Cc1ccccc1O)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684432 806705899 /nfs/dbraw/zinc/70/58/99/806705899.db2.gz RGRYZRHNILXGLL-SJPCQFCGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[N@@H+](Cc1ccccc1O)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684432 806705902 /nfs/dbraw/zinc/70/59/02/806705902.db2.gz RGRYZRHNILXGLL-SJPCQFCGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[NH+](Cc1ccccc1O)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255684432 806705907 /nfs/dbraw/zinc/70/59/07/806705907.db2.gz RGRYZRHNILXGLL-SJPCQFCGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[NH+](Cc1ccccc1O)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255684432 806705911 /nfs/dbraw/zinc/70/59/11/806705911.db2.gz RGRYZRHNILXGLL-SJPCQFCGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001117759910 802489874 /nfs/dbraw/zinc/48/98/74/802489874.db2.gz GBAHMKSHCMBGDE-OAHLLOKOSA-N 2 1 298.430 3.367 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205136298 812882781 /nfs/dbraw/zinc/88/27/81/812882781.db2.gz WPSZFUZWCQTLNZ-KBXCAEBGSA-N 2 1 297.446 3.121 20 10 CGCDMP CN(C)c1ccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140805667 804524637 /nfs/dbraw/zinc/52/46/37/804524637.db2.gz LXUFQUFKEIUXAS-UHFFFAOYSA-N 2 1 294.402 3.261 20 10 CGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140805667 804524640 /nfs/dbraw/zinc/52/46/40/804524640.db2.gz LXUFQUFKEIUXAS-UHFFFAOYSA-N 2 1 294.402 3.261 20 10 CGCDMP CC[N@@H+](Cc1ccccc1O)C1CC[NH+](CC2CC2)CC1 ZINC001168387653 807400178 /nfs/dbraw/zinc/40/01/78/807400178.db2.gz NZOAGRPXABYAMY-UHFFFAOYSA-N 2 1 288.435 3.089 20 10 CGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2cc1O ZINC001276814386 809032820 /nfs/dbraw/zinc/03/28/20/809032820.db2.gz YVMSVEJBDNAEOP-AYHJJNSGSA-N 2 1 296.414 3.260 20 10 CGCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205016802 812826691 /nfs/dbraw/zinc/82/66/91/812826691.db2.gz KPEAHDOYNWLFIY-CQSZACIVSA-N 2 1 290.451 3.121 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205635993 813037158 /nfs/dbraw/zinc/03/71/58/813037158.db2.gz BQLPOSMDYXVFDE-GDBMZVCRSA-N 2 1 298.430 3.352 20 10 CGCDMP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c2ccccc21 ZINC001205933024 813140337 /nfs/dbraw/zinc/14/03/37/813140337.db2.gz VVHYVDDGTYZLTL-MRXNPFEDSA-N 2 1 297.446 3.219 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c2ccccc21 ZINC001205933024 813140339 /nfs/dbraw/zinc/14/03/39/813140339.db2.gz VVHYVDDGTYZLTL-MRXNPFEDSA-N 2 1 297.446 3.219 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)c1 ZINC001206326439 813289861 /nfs/dbraw/zinc/28/98/61/813289861.db2.gz NLDOIVUOSBZXQW-SFHVURJKSA-N 2 1 290.451 3.467 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1O ZINC001206624631 813378883 /nfs/dbraw/zinc/37/88/83/813378883.db2.gz XTITXVZSUYRSFW-CQSZACIVSA-N 2 1 290.451 3.251 20 10 CGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C(C)(C)C)ccc1O ZINC001233286857 818568677 /nfs/dbraw/zinc/56/86/77/818568677.db2.gz LWKSCOBCZDVVNG-UHFFFAOYSA-N 2 1 292.467 3.463 20 10 CGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235108588 819003608 /nfs/dbraw/zinc/00/36/08/819003608.db2.gz BKSIXEHUACWWDE-SFHVURJKSA-N 2 1 288.435 3.018 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235108588 819003615 /nfs/dbraw/zinc/00/36/15/819003615.db2.gz BKSIXEHUACWWDE-SFHVURJKSA-N 2 1 288.435 3.018 20 10 CGCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001236065685 819298897 /nfs/dbraw/zinc/29/88/97/819298897.db2.gz CJGFGTYJFOHYMM-SFHVURJKSA-N 2 1 297.446 3.135 20 10 CGCDMP C[N@H+](Cc1c(O)ccc2ccccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236207691 819370549 /nfs/dbraw/zinc/37/05/49/819370549.db2.gz RGTKFGFMLCCMGL-SFHVURJKSA-N 2 1 284.403 3.119 20 10 CGCDMP C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236207691 819370553 /nfs/dbraw/zinc/37/05/53/819370553.db2.gz RGTKFGFMLCCMGL-SFHVURJKSA-N 2 1 284.403 3.119 20 10 CGCDMP C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217879 819384751 /nfs/dbraw/zinc/38/47/51/819384751.db2.gz QQSFYDILULPRSR-HOTGVXAUSA-N 2 1 290.451 3.391 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C[NH3+])c1 ZINC001236279904 819412085 /nfs/dbraw/zinc/41/20/85/819412085.db2.gz SQYKZNPLLJUIIK-UHFFFAOYSA-N 2 1 297.446 3.233 20 10 CGCDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000840807427 931969008 /nfs/dbraw/zinc/96/90/08/931969008.db2.gz AYUHFSUMIVIUOH-HZPDHXFCSA-N 2 1 289.467 3.135 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320118327 934003644 /nfs/dbraw/zinc/00/36/44/934003644.db2.gz IFUDMXRKGUSMIW-HZPDHXFCSA-N 2 1 290.451 3.392 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001575858996 962414963 /nfs/dbraw/zinc/41/49/63/962414963.db2.gz WDRLERMFBQVPJZ-USXIJHARSA-N 2 1 288.435 3.075 20 10 CGCDMP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185563743 374688496 /nfs/dbraw/zinc/68/84/96/374688496.db2.gz YUHADRSETYTTPX-ZDUSSCGKSA-N 2 1 294.414 3.304 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(O)c1C ZINC000273439698 378745973 /nfs/dbraw/zinc/74/59/73/378745973.db2.gz YCESRJWEPVHWEZ-GJZGRUSLSA-N 2 1 288.435 3.144 20 10 CGCDMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1O ZINC000373524954 379293652 /nfs/dbraw/zinc/29/36/52/379293652.db2.gz WDJDOCPRHKKSJM-WLYUNCDWSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1O ZINC000375887845 379514798 /nfs/dbraw/zinc/51/47/98/379514798.db2.gz JUWAFARBXKMDFD-DZKIICNBSA-N 2 1 292.398 3.199 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1O ZINC000375887845 379514806 /nfs/dbraw/zinc/51/48/06/379514806.db2.gz JUWAFARBXKMDFD-DZKIICNBSA-N 2 1 292.398 3.199 20 10 CGCDMP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285972827 380155051 /nfs/dbraw/zinc/15/50/51/380155051.db2.gz GDFSBOBZSJBRPQ-HNNXBMFYSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C)cc1O ZINC000280097519 522757343 /nfs/dbraw/zinc/75/73/43/522757343.db2.gz MWFKXBSMKAJKEV-YESZJQIVSA-N 2 1 288.435 3.368 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C)cc1O ZINC000280097519 522757358 /nfs/dbraw/zinc/75/73/58/522757358.db2.gz MWFKXBSMKAJKEV-YESZJQIVSA-N 2 1 288.435 3.368 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1O ZINC000841744132 620345683 /nfs/dbraw/zinc/34/56/83/620345683.db2.gz FIIYFVBTWHLNMT-IACUBPJLSA-N 2 1 294.826 3.323 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1O ZINC000841744132 620345685 /nfs/dbraw/zinc/34/56/85/620345685.db2.gz FIIYFVBTWHLNMT-IACUBPJLSA-N 2 1 294.826 3.323 20 10 CGCDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1O ZINC000062744823 623264972 /nfs/dbraw/zinc/26/49/72/623264972.db2.gz BSCLTWUKIRCTAH-KBPBESRZSA-N 2 1 294.414 3.446 20 10 CGCDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1O ZINC000062744823 623264976 /nfs/dbraw/zinc/26/49/76/623264976.db2.gz BSCLTWUKIRCTAH-KBPBESRZSA-N 2 1 294.414 3.446 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1C ZINC000756613712 626720681 /nfs/dbraw/zinc/72/06/81/626720681.db2.gz QICHMYRSJVMGRN-VHDGCEQUSA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1C ZINC000756613712 626720685 /nfs/dbraw/zinc/72/06/85/626720685.db2.gz QICHMYRSJVMGRN-VHDGCEQUSA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1O ZINC000862483646 629386212 /nfs/dbraw/zinc/38/62/12/629386212.db2.gz WEOFZSMVNWGBGM-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1O ZINC000809755251 630800039 /nfs/dbraw/zinc/80/00/39/630800039.db2.gz HKENZULZCDSZSG-UHFFFAOYSA-N 2 1 284.831 3.209 20 10 CGCDMP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000817584899 632190872 /nfs/dbraw/zinc/19/08/72/632190872.db2.gz AIYIIMYBTBDQNI-ZBCRRDGASA-N 2 1 294.414 3.445 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1O ZINC000817958918 632255100 /nfs/dbraw/zinc/25/51/00/632255100.db2.gz MSMMQPAKDXRJON-WCQYABFASA-N 2 1 284.831 3.378 20 10 CGCDMP Oc1cccc2c1[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)CC2 ZINC000817960998 632256065 /nfs/dbraw/zinc/25/60/65/632256065.db2.gz VVPYFAGAGXTGLY-INIZCTEOSA-N 2 1 288.435 3.282 20 10 CGCDMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000817963519 632259256 /nfs/dbraw/zinc/25/92/56/632259256.db2.gz TWQIZQRAXTYSOW-NEPJUHHUSA-N 2 1 288.366 3.402 20 10 CGCDMP CCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000873101052 634246278 /nfs/dbraw/zinc/24/62/78/634246278.db2.gz MSJQZTHQUBXBTM-UHFFFAOYSA-N 2 1 288.435 3.135 20 10 CGCDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000873223577 634291034 /nfs/dbraw/zinc/29/10/34/634291034.db2.gz OCPRNLQCFKLGDR-MRXNPFEDSA-N 2 1 296.842 3.243 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1O ZINC000841745094 635222197 /nfs/dbraw/zinc/22/21/97/635222197.db2.gz NFKUIIUOAGJEEF-NEPJUHHUSA-N 2 1 294.826 3.181 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1O ZINC000841745094 635222203 /nfs/dbraw/zinc/22/22/03/635222203.db2.gz NFKUIIUOAGJEEF-NEPJUHHUSA-N 2 1 294.826 3.181 20 10 CGCDMP CCc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000848888601 636676006 /nfs/dbraw/zinc/67/60/06/636676006.db2.gz XLABKCCHPMIBLD-KRWDZBQOSA-N 2 1 290.451 3.261 20 10 CGCDMP CCc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000848888601 636676007 /nfs/dbraw/zinc/67/60/07/636676007.db2.gz XLABKCCHPMIBLD-KRWDZBQOSA-N 2 1 290.451 3.261 20 10 CGCDMP CCc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000848888601 636676012 /nfs/dbraw/zinc/67/60/12/636676012.db2.gz XLABKCCHPMIBLD-KRWDZBQOSA-N 2 1 290.451 3.261 20 10 CGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(CC)c2O)C1 ZINC000848889370 636676436 /nfs/dbraw/zinc/67/64/36/636676436.db2.gz JBPCKSLRXOKLNF-OAHLLOKOSA-N 2 1 290.451 3.118 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848889370 636676440 /nfs/dbraw/zinc/67/64/40/636676440.db2.gz JBPCKSLRXOKLNF-OAHLLOKOSA-N 2 1 290.451 3.118 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848889370 636676442 /nfs/dbraw/zinc/67/64/42/636676442.db2.gz JBPCKSLRXOKLNF-OAHLLOKOSA-N 2 1 290.451 3.118 20 10 CGCDMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1O ZINC000848888157 636676493 /nfs/dbraw/zinc/67/64/93/636676493.db2.gz NOHDNERIJXNLDD-YOEHRIQHSA-N 2 1 290.451 3.259 20 10 CGCDMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1O ZINC000848888157 636676494 /nfs/dbraw/zinc/67/64/94/636676494.db2.gz NOHDNERIJXNLDD-YOEHRIQHSA-N 2 1 290.451 3.259 20 10 CGCDMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1O ZINC000848888157 636676498 /nfs/dbraw/zinc/67/64/98/636676498.db2.gz NOHDNERIJXNLDD-YOEHRIQHSA-N 2 1 290.451 3.259 20 10 CGCDMP C[N@H+]1CC[C@H]([NH2+]CCCSc2nccs2)CC1(C)C ZINC000858141339 638640903 /nfs/dbraw/zinc/64/09/03/638640903.db2.gz NNHHGIUKMCZLLJ-LBPRGKRZSA-N 2 1 299.509 3.088 20 10 CGCDMP Oc1ccccc1C[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC001257452938 807164269 /nfs/dbraw/zinc/16/42/69/807164269.db2.gz XZLBPOULXYQASG-UHFFFAOYSA-N 2 1 288.435 3.279 20 10 CGCDMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)cc3O)(C1)CCC2 ZINC001275267602 808923311 /nfs/dbraw/zinc/92/33/11/808923311.db2.gz SQFVRHHHANRREU-JKSUJKDBSA-N 2 1 294.826 3.200 20 10 CGCDMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001204945625 812792299 /nfs/dbraw/zinc/79/22/99/812792299.db2.gz HWDRNHFCBJAWHK-LJQANCHMSA-N 2 1 296.414 3.372 20 10 CGCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001204945625 812792303 /nfs/dbraw/zinc/79/23/03/812792303.db2.gz HWDRNHFCBJAWHK-LJQANCHMSA-N 2 1 296.414 3.372 20 10 CGCDMP C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1[NH3+] ZINC001205862932 813112344 /nfs/dbraw/zinc/11/23/44/813112344.db2.gz CQZALTHCAZIOIA-KDOFPFPSSA-N 2 1 297.446 3.075 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1[NH3+] ZINC001205862932 813112350 /nfs/dbraw/zinc/11/23/50/813112350.db2.gz CQZALTHCAZIOIA-KDOFPFPSSA-N 2 1 297.446 3.075 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206269303 813264586 /nfs/dbraw/zinc/26/45/86/813264586.db2.gz JXKLUHWZPHDWHB-OAHLLOKOSA-N 2 1 297.446 3.135 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206269303 813264589 /nfs/dbraw/zinc/26/45/89/813264589.db2.gz JXKLUHWZPHDWHB-OAHLLOKOSA-N 2 1 297.446 3.135 20 10 CGCDMP CC(C)[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCC[NH2+]CC1 ZINC001206579933 813362735 /nfs/dbraw/zinc/36/27/35/813362735.db2.gz BGPAVOPDRABHSS-OAHLLOKOSA-N 2 1 296.842 3.398 20 10 CGCDMP CC(C)[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCC[NH2+]CC1 ZINC001206579933 813362742 /nfs/dbraw/zinc/36/27/42/813362742.db2.gz BGPAVOPDRABHSS-OAHLLOKOSA-N 2 1 296.842 3.398 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001206805100 813441093 /nfs/dbraw/zinc/44/10/93/813441093.db2.gz ABGCTVSRNLCANX-KBPBESRZSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222395112 816430941 /nfs/dbraw/zinc/43/09/41/816430941.db2.gz HEBCCRABYMEEQZ-SFHVURJKSA-N 2 1 288.435 3.117 20 10 CGCDMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222395112 816430945 /nfs/dbraw/zinc/43/09/45/816430945.db2.gz HEBCCRABYMEEQZ-SFHVURJKSA-N 2 1 288.435 3.117 20 10 CGCDMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001235843174 819184769 /nfs/dbraw/zinc/18/47/69/819184769.db2.gz XCPNHGKHABMNBX-KRWDZBQOSA-N 2 1 297.446 3.135 20 10 CGCDMP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccccc1O ZINC001236043567 819281099 /nfs/dbraw/zinc/28/10/99/819281099.db2.gz YAIWYTSHLDSJPE-UHFFFAOYSA-N 2 1 276.424 3.136 20 10 CGCDMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(N(C)C)cc1 ZINC001236281141 819412919 /nfs/dbraw/zinc/41/29/19/819412919.db2.gz ZDTFEJUYNNFVRA-KRWDZBQOSA-N 2 1 289.467 3.107 20 10 CGCDMP CC[N@H+](Cc1cccc(C(C)(C)C)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236409416 819456100 /nfs/dbraw/zinc/45/61/00/819456100.db2.gz UQQJWZSVUZVMRJ-CQSZACIVSA-N 2 1 290.451 3.121 20 10 CGCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420484 819467374 /nfs/dbraw/zinc/46/73/74/819467374.db2.gz MTYHFOHBERDWCP-KDOFPFPSSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420484 819467376 /nfs/dbraw/zinc/46/73/76/819467376.db2.gz MTYHFOHBERDWCP-KDOFPFPSSA-N 2 1 297.446 3.217 20 10 CGCDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(N2CCCC2)cc1 ZINC001348903942 936938224 /nfs/dbraw/zinc/93/82/24/936938224.db2.gz XWFYEXPOPZLHCS-UHFFFAOYSA-N 2 1 289.467 3.238 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(C)cc1O ZINC001321542407 934193333 /nfs/dbraw/zinc/19/33/33/934193333.db2.gz LKNMKSGFFQTHKW-RDJZCZTQSA-N 2 1 290.451 3.473 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000295084363 372692074 /nfs/dbraw/zinc/69/20/74/372692074.db2.gz SJBBVSAGNUUEJD-GOOCMWNKSA-N 2 1 294.826 3.069 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000283936454 380107606 /nfs/dbraw/zinc/10/76/06/380107606.db2.gz FFSQVAASHHQNOI-LSDHHAIUSA-N 2 1 288.435 3.144 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1O ZINC000280173520 522632570 /nfs/dbraw/zinc/63/25/70/522632570.db2.gz RGXNNRKTQPJAGA-ZBFHGGJFSA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000840810661 626207747 /nfs/dbraw/zinc/20/77/47/626207747.db2.gz VLSVRCNNSHOIBF-HOTGVXAUSA-N 2 1 290.451 3.392 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000840810678 626207806 /nfs/dbraw/zinc/20/78/06/626207806.db2.gz VLSVRCNNSHOIBF-JKSUJKDBSA-N 2 1 290.451 3.392 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756396752 626700940 /nfs/dbraw/zinc/70/09/40/626700940.db2.gz JWBQSLVSTNHJHT-TZMCWYRMSA-N 2 1 294.414 3.400 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756430760 626705528 /nfs/dbraw/zinc/70/55/28/626705528.db2.gz KZQLGQMQKNSWMK-BZPMIXESSA-N 2 1 292.398 3.011 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1O ZINC000796799576 629835957 /nfs/dbraw/zinc/83/59/57/629835957.db2.gz RHXRWRQONUUZFS-DZKIICNBSA-N 2 1 294.414 3.445 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000815583739 631800684 /nfs/dbraw/zinc/80/06/84/631800684.db2.gz NIMXLNGWNRWWLK-ILXRZTDVSA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000815583739 631800687 /nfs/dbraw/zinc/80/06/87/631800687.db2.gz NIMXLNGWNRWWLK-ILXRZTDVSA-N 2 1 276.424 3.142 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000817958153 632253856 /nfs/dbraw/zinc/25/38/56/632253856.db2.gz IKKJUZXBCMABOP-ZBFHGGJFSA-N 2 1 277.456 3.167 20 10 CGCDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960390 632256672 /nfs/dbraw/zinc/25/66/72/632256672.db2.gz YNFFQTSUISPVLU-KSSFIOAISA-N 2 1 289.467 3.311 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1O ZINC000817984074 632272866 /nfs/dbraw/zinc/27/28/66/632272866.db2.gz MNVKJJSLCFYJSR-AAEUAGOBSA-N 2 1 282.815 3.147 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1C ZINC000873223804 634291546 /nfs/dbraw/zinc/29/15/46/634291546.db2.gz SMDBAJRMKVSZPX-SFHVURJKSA-N 2 1 290.451 3.206 20 10 CGCDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019912842 634375930 /nfs/dbraw/zinc/37/59/30/634375930.db2.gz PWRLKIUCCHZPOY-MRXNPFEDSA-N 2 1 289.467 3.107 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000840881631 635072794 /nfs/dbraw/zinc/07/27/94/635072794.db2.gz PBOQHDHPKLGXIX-CHWSQXEVSA-N 2 1 294.826 3.070 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000840881631 635072800 /nfs/dbraw/zinc/07/28/00/635072800.db2.gz PBOQHDHPKLGXIX-CHWSQXEVSA-N 2 1 294.826 3.070 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840886332 635074310 /nfs/dbraw/zinc/07/43/10/635074310.db2.gz CDKFHGMHVVXOSI-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1O ZINC000219058146 637498533 /nfs/dbraw/zinc/49/85/33/637498533.db2.gz BSCLTWUKIRCTAH-UONOGXRCSA-N 2 1 294.414 3.446 20 10 CGCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1O ZINC000219058146 637498538 /nfs/dbraw/zinc/49/85/38/637498538.db2.gz BSCLTWUKIRCTAH-UONOGXRCSA-N 2 1 294.414 3.446 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490722 638741008 /nfs/dbraw/zinc/74/10/08/638741008.db2.gz MOJOMINCHYBOAR-HOTGVXAUSA-N 2 1 289.467 3.135 20 10 CGCDMP Cc1cc(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC001255670975 806701517 /nfs/dbraw/zinc/70/15/17/806701517.db2.gz GCDGUACMVAQFNJ-MQVJKMGUSA-N 2 1 288.435 3.114 20 10 CGCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246790672 804513397 /nfs/dbraw/zinc/51/33/97/804513397.db2.gz LVJYMUYEBRKSGE-JJTKIYQPSA-N 2 1 299.462 3.002 20 10 CGCDMP Cc1ccc(O)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275311597 808928070 /nfs/dbraw/zinc/92/80/70/808928070.db2.gz GASIBKBTEUDZOE-GOSISDBHSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275311597 808928079 /nfs/dbraw/zinc/92/80/79/808928079.db2.gz GASIBKBTEUDZOE-GOSISDBHSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275311597 808928085 /nfs/dbraw/zinc/92/80/85/808928085.db2.gz GASIBKBTEUDZOE-GOSISDBHSA-N 2 1 288.435 3.008 20 10 CGCDMP C[C@H](CC[NH2+]Cc1ccc(Cl)cc1O)[NH+]1CCCCC1 ZINC001205390762 812977017 /nfs/dbraw/zinc/97/70/17/812977017.db2.gz DCPIFHMWFQGDEV-CYBMUJFWSA-N 2 1 296.842 3.400 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205637735 813036446 /nfs/dbraw/zinc/03/64/46/813036446.db2.gz IIFZHFUUNDRVQE-WCQYABFASA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C[NH3+] ZINC001205638447 813036647 /nfs/dbraw/zinc/03/66/47/813036647.db2.gz NXJHVFKOZMBQMM-ZBFHGGJFSA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840881 813104475 /nfs/dbraw/zinc/10/44/75/813104475.db2.gz INJTUKCXMNTNPO-BBRMVZONSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840881 813104476 /nfs/dbraw/zinc/10/44/76/813104476.db2.gz INJTUKCXMNTNPO-BBRMVZONSA-N 2 1 290.451 3.249 20 10 CGCDMP CC(C)[N@@H+](Cc1c(O)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206589406 813365605 /nfs/dbraw/zinc/36/56/05/813365605.db2.gz GTYDCZSZJSVUAR-CYBMUJFWSA-N 2 1 296.842 3.398 20 10 CGCDMP CC(C)[N@H+](Cc1ccc(Cl)cc1O)[C@H]1CCC[NH2+]CC1 ZINC001206590416 813367864 /nfs/dbraw/zinc/36/78/64/813367864.db2.gz LMKBJJHKNGNVAG-HNNXBMFYSA-N 2 1 296.842 3.398 20 10 CGCDMP CC(C)[N@@H+](Cc1ccc(Cl)cc1O)[C@H]1CCC[NH2+]CC1 ZINC001206590416 813367869 /nfs/dbraw/zinc/36/78/69/813367869.db2.gz LMKBJJHKNGNVAG-HNNXBMFYSA-N 2 1 296.842 3.398 20 10 CGCDMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001206806220 813441805 /nfs/dbraw/zinc/44/18/05/813441805.db2.gz GARIDUPNKYOMQR-ZIAGYGMSSA-N 2 1 290.451 3.249 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222361353 816419743 /nfs/dbraw/zinc/41/97/43/816419743.db2.gz YTQUNJZMFGCFIG-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222361353 816419751 /nfs/dbraw/zinc/41/97/51/816419751.db2.gz YTQUNJZMFGCFIG-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP Cc1cc(C[N@@H+](C)CCCC[NH3+])c(C)n1-c1ccccc1 ZINC001236142349 819342767 /nfs/dbraw/zinc/34/27/67/819342767.db2.gz WDGNMNFXUSCXAN-UHFFFAOYSA-N 2 1 285.435 3.265 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236417724 819463428 /nfs/dbraw/zinc/46/34/28/819463428.db2.gz CXLCIWQBIXOIOE-APWZRJJASA-N 2 1 297.446 3.406 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236417724 819463431 /nfs/dbraw/zinc/46/34/31/819463431.db2.gz CXLCIWQBIXOIOE-APWZRJJASA-N 2 1 297.446 3.406 20 10 CGCDMP Cc1cccc(O)c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001237489852 819764261 /nfs/dbraw/zinc/76/42/61/819764261.db2.gz LQVFQJNFNALKBO-UHFFFAOYSA-N 2 1 290.451 3.253 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000293731469 372464104 /nfs/dbraw/zinc/46/41/04/372464104.db2.gz MZMDIGDBPRCVOX-HUUCEWRRSA-N 2 1 276.424 3.001 20 10 CGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2O)CC1 ZINC000179797624 373920081 /nfs/dbraw/zinc/92/00/81/373920081.db2.gz AAKAYHIWRHYMGT-UHFFFAOYSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683777 392239407 /nfs/dbraw/zinc/23/94/07/392239407.db2.gz HYVLISBYDRGIEY-INIZCTEOSA-N 2 1 288.435 3.008 20 10 CGCDMP Oc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192920515 534455968 /nfs/dbraw/zinc/45/59/68/534455968.db2.gz IBQOMQCSWQBRFS-QGZVFWFLSA-N 2 1 296.414 3.004 20 10 CGCDMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C)cc1O ZINC000280265793 522563429 /nfs/dbraw/zinc/56/34/29/522563429.db2.gz XNXUHRFZNZWGPR-INIZCTEOSA-N 2 1 276.424 3.226 20 10 CGCDMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000161529477 618689727 /nfs/dbraw/zinc/68/97/27/618689727.db2.gz CKENCLIKBAXJEM-MRXNPFEDSA-N 2 1 276.424 3.089 20 10 CGCDMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000161529477 618689729 /nfs/dbraw/zinc/68/97/29/618689729.db2.gz CKENCLIKBAXJEM-MRXNPFEDSA-N 2 1 276.424 3.089 20 10 CGCDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccccc1O ZINC000895685087 619872887 /nfs/dbraw/zinc/87/28/87/619872887.db2.gz JETVBVNBPJQMFO-UHFFFAOYSA-N 2 1 276.424 3.090 20 10 CGCDMP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000903892072 621824769 /nfs/dbraw/zinc/82/47/69/621824769.db2.gz GPWGCFQXMICSSI-ZDUSSCGKSA-N 2 1 298.377 3.119 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000840808328 626179502 /nfs/dbraw/zinc/17/95/02/626179502.db2.gz BEXRVSDOTIQAGC-CABCVRRESA-N 2 1 276.424 3.083 20 10 CGCDMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1O ZINC000840808750 626190112 /nfs/dbraw/zinc/19/01/12/626190112.db2.gz DTOAAMXSDQHGDB-BBRMVZONSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000840808750 626190114 /nfs/dbraw/zinc/19/01/14/626190114.db2.gz DTOAAMXSDQHGDB-BBRMVZONSA-N 2 1 294.414 3.304 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166432 627300900 /nfs/dbraw/zinc/30/09/00/627300900.db2.gz QWMTWXOTPBQQRH-YQQAZPJKSA-N 2 1 289.467 3.276 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166432 627300902 /nfs/dbraw/zinc/30/09/02/627300902.db2.gz QWMTWXOTPBQQRH-YQQAZPJKSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1O ZINC000775413277 628092691 /nfs/dbraw/zinc/09/26/91/628092691.db2.gz ZWYPGGRTDODUSY-HNNXBMFYSA-N 2 1 273.380 3.028 20 10 CGCDMP CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775492296 628100489 /nfs/dbraw/zinc/10/04/89/628100489.db2.gz NBXHURXQTMWSHP-SMDDNHRTSA-N 2 1 293.798 3.372 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716388 628128655 /nfs/dbraw/zinc/12/86/55/628128655.db2.gz VREXBFHDFLBGED-GDBMZVCRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716388 628128659 /nfs/dbraw/zinc/12/86/59/628128659.db2.gz VREXBFHDFLBGED-GDBMZVCRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716388 628128664 /nfs/dbraw/zinc/12/86/64/628128664.db2.gz VREXBFHDFLBGED-GDBMZVCRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808678789 630663663 /nfs/dbraw/zinc/66/36/63/630663663.db2.gz WASUQIGSYXZADV-CHWSQXEVSA-N 2 1 296.842 3.346 20 10 CGCDMP Cc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000809737135 630795662 /nfs/dbraw/zinc/79/56/62/630795662.db2.gz DZJYKJGVFNJAHD-UHFFFAOYSA-N 2 1 298.430 3.394 20 10 CGCDMP C[C@H](C[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817966405 632261119 /nfs/dbraw/zinc/26/11/19/632261119.db2.gz NAJIMGJXWNCOGN-PBHICJAKSA-N 2 1 284.403 3.003 20 10 CGCDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979002 632270212 /nfs/dbraw/zinc/27/02/12/632270212.db2.gz GIRAGFHXEPQERB-HIFRSBDPSA-N 2 1 293.430 3.204 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000817982471 632272591 /nfs/dbraw/zinc/27/25/91/632272591.db2.gz SSJZSOJYHUWEEV-KDOFPFPSSA-N 2 1 289.467 3.311 20 10 CGCDMP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000866518059 633171329 /nfs/dbraw/zinc/17/13/29/633171329.db2.gz SSFYUORXWWOIGR-RFSCMCKOSA-N 2 1 294.414 3.445 20 10 CGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000877741744 635178177 /nfs/dbraw/zinc/17/81/77/635178177.db2.gz NKCFBYCCTAGMLZ-CRAIPNDOSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000877741744 635178182 /nfs/dbraw/zinc/17/81/82/635178182.db2.gz NKCFBYCCTAGMLZ-CRAIPNDOSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000877741744 635178185 /nfs/dbraw/zinc/17/81/85/635178185.db2.gz NKCFBYCCTAGMLZ-CRAIPNDOSA-N 2 1 296.414 3.071 20 10 CGCDMP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccccc2O)CC1 ZINC000877795212 635204612 /nfs/dbraw/zinc/20/46/12/635204612.db2.gz BZYISOSOWNNRNK-UHFFFAOYSA-N 2 1 288.435 3.233 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1O ZINC000853239979 637791738 /nfs/dbraw/zinc/79/17/38/637791738.db2.gz LDLSARBLVJMAFL-GDBMZVCRSA-N 2 1 288.435 3.165 20 10 CGCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc3ccccc3cc1O)C2 ZINC001169108656 807578572 /nfs/dbraw/zinc/57/85/72/807578572.db2.gz URQOAGQVXLUELY-NNZMDNLPSA-N 2 1 296.414 3.260 20 10 CGCDMP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172118233 808180070 /nfs/dbraw/zinc/18/00/70/808180070.db2.gz PMXBONOJJNUYNZ-BJWYYQGGSA-N 2 1 288.435 3.109 20 10 CGCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001205913922 813130732 /nfs/dbraw/zinc/13/07/32/813130732.db2.gz KQSFGPDQEAOPND-KBPBESRZSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206258172 813259805 /nfs/dbraw/zinc/25/98/05/813259805.db2.gz SIACURKBMPDNMS-KRWDZBQOSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206258172 813259810 /nfs/dbraw/zinc/25/98/10/813259810.db2.gz SIACURKBMPDNMS-KRWDZBQOSA-N 2 1 297.446 3.278 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206768019 813430998 /nfs/dbraw/zinc/43/09/98/813430998.db2.gz GSKGFMQOSJQGDK-RDJZCZTQSA-N 2 1 289.467 3.092 20 10 CGCDMP C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC[NH2+]1 ZINC001210475795 814479422 /nfs/dbraw/zinc/47/94/22/814479422.db2.gz OVQHRZRJPHCDED-OAHLLOKOSA-N 2 1 297.446 3.090 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC[NH2+]1 ZINC001210475795 814479427 /nfs/dbraw/zinc/47/94/27/814479427.db2.gz OVQHRZRJPHCDED-OAHLLOKOSA-N 2 1 297.446 3.090 20 10 CGCDMP C[N@H+](Cc1ccc(C(C)(C)C)cc1O)CC1CC[NH2+]CC1 ZINC001235433291 819095593 /nfs/dbraw/zinc/09/55/93/819095593.db2.gz SBJLIVWPNBZTCS-UHFFFAOYSA-N 2 1 290.451 3.121 20 10 CGCDMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053041 819288936 /nfs/dbraw/zinc/28/89/36/819288936.db2.gz XREMCKAVXGODRW-WMLDXEAASA-N 2 1 296.414 3.228 20 10 CGCDMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053041 819288942 /nfs/dbraw/zinc/28/89/42/819288942.db2.gz XREMCKAVXGODRW-WMLDXEAASA-N 2 1 296.414 3.228 20 10 CGCDMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(N(C)C)cc1 ZINC001236281142 819412970 /nfs/dbraw/zinc/41/29/70/819412970.db2.gz ZDTFEJUYNNFVRA-QGZVFWFLSA-N 2 1 289.467 3.107 20 10 CGCDMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236421835 819468019 /nfs/dbraw/zinc/46/80/19/819468019.db2.gz PZWCERPGMLVMPU-QGZVFWFLSA-N 2 1 296.414 3.243 20 10 CGCDMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236421835 819468024 /nfs/dbraw/zinc/46/80/24/819468024.db2.gz PZWCERPGMLVMPU-QGZVFWFLSA-N 2 1 296.414 3.243 20 10 CGCDMP Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC001236550239 819534444 /nfs/dbraw/zinc/53/44/44/819534444.db2.gz ASSPCPSZKSYHTI-QAQDUYKDSA-N 2 1 290.451 3.429 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237055298 819654435 /nfs/dbraw/zinc/65/44/35/819654435.db2.gz CHSPYMZQLJUPMF-SFHVURJKSA-N 2 1 289.467 3.094 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccccc1O ZINC000155480753 928253457 /nfs/dbraw/zinc/25/34/57/928253457.db2.gz IPOBFUOGBURYDQ-ZBFHGGJFSA-N 2 1 276.424 3.165 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C[NH3+])CC(C)C ZINC001331837138 935413507 /nfs/dbraw/zinc/41/35/07/935413507.db2.gz ZPIKSSGMBCWJAN-MCIONIFRSA-N 2 1 276.424 3.212 20 10 CGCDMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)ccc2O)CC1 ZINC000375475851 379498900 /nfs/dbraw/zinc/49/89/00/379498900.db2.gz XWZCRPIARDWUPY-UHFFFAOYSA-N 2 1 294.826 3.106 20 10 CGCDMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000037318591 260086470 /nfs/dbraw/zinc/08/64/70/260086470.db2.gz CDRFFTKTZMGEKD-CQSZACIVSA-N 2 1 287.451 3.030 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000362238466 266949972 /nfs/dbraw/zinc/94/99/72/266949972.db2.gz QQKDKPZWUZRKID-GJZGRUSLSA-N 2 1 294.826 3.070 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756360076 626696196 /nfs/dbraw/zinc/69/61/96/626696196.db2.gz DDZOIXCWIZKQCM-SMDDNHRTSA-N 2 1 292.398 3.154 20 10 CGCDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000768872774 627505314 /nfs/dbraw/zinc/50/53/14/627505314.db2.gz IOPDJWGBUPOSRC-UHFFFAOYSA-N 2 1 284.403 3.086 20 10 CGCDMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(C)cc1O ZINC000817959771 632254871 /nfs/dbraw/zinc/25/48/71/632254871.db2.gz UVVNLDZKFOUWQL-HIFRSBDPSA-N 2 1 264.413 3.115 20 10 CGCDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979056 632270079 /nfs/dbraw/zinc/27/00/79/632270079.db2.gz HSLKRWKIWOBYQS-NVXWUHKLSA-N 2 1 289.467 3.455 20 10 CGCDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894763 633302475 /nfs/dbraw/zinc/30/24/75/633302475.db2.gz JPYNDALFSSDRMM-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894763 633302479 /nfs/dbraw/zinc/30/24/79/633302479.db2.gz JPYNDALFSSDRMM-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894763 633302483 /nfs/dbraw/zinc/30/24/83/633302483.db2.gz JPYNDALFSSDRMM-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894763 633302485 /nfs/dbraw/zinc/30/24/85/633302485.db2.gz JPYNDALFSSDRMM-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000019913115 634376216 /nfs/dbraw/zinc/37/62/16/634376216.db2.gz OOFOEMYQSLJWMN-CYBMUJFWSA-N 2 1 296.842 3.400 20 10 CGCDMP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000876756238 634893004 /nfs/dbraw/zinc/89/30/04/634893004.db2.gz PJSNSZHHRMMZQJ-KRWDZBQOSA-N 2 1 288.435 3.151 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000843048158 635550418 /nfs/dbraw/zinc/55/04/18/635550418.db2.gz QJGYSSMCQMPQLG-IAGOWNOFSA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000843048158 635550425 /nfs/dbraw/zinc/55/04/25/635550425.db2.gz QJGYSSMCQMPQLG-IAGOWNOFSA-N 2 1 288.435 3.116 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000843113193 635560661 /nfs/dbraw/zinc/56/06/61/635560661.db2.gz OMNSVUQTGJUNAR-INIZCTEOSA-N 2 1 289.467 3.094 20 10 CGCDMP CCN(CC)c1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000849350144 636817851 /nfs/dbraw/zinc/81/78/51/636817851.db2.gz SADUSXZWNIANHF-UHFFFAOYSA-N 2 1 293.430 3.033 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(O)c1 ZINC000858490786 638741219 /nfs/dbraw/zinc/74/12/19/638741219.db2.gz OKYUPWWGSXFCLD-HOTGVXAUSA-N 2 1 290.451 3.392 20 10 CGCDMP CC[NH+]1CCC([N@H+](C)Cc2c3ccccc3n(C)c2C)CC1 ZINC001138257022 803882126 /nfs/dbraw/zinc/88/21/26/803882126.db2.gz SIJSZKLHOWSFSY-UHFFFAOYSA-N 2 1 299.462 3.403 20 10 CGCDMP CC[NH+]1CCC([N@@H+](C)Cc2c3ccccc3n(C)c2C)CC1 ZINC001138257022 803882136 /nfs/dbraw/zinc/88/21/36/803882136.db2.gz SIJSZKLHOWSFSY-UHFFFAOYSA-N 2 1 299.462 3.403 20 10 CGCDMP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)c1 ZINC001140953520 804557681 /nfs/dbraw/zinc/55/76/81/804557681.db2.gz AYEOHIZWYRADRB-MRXNPFEDSA-N 2 1 298.386 3.057 20 10 CGCDMP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)c1 ZINC001140953520 804557686 /nfs/dbraw/zinc/55/76/86/804557686.db2.gz AYEOHIZWYRADRB-MRXNPFEDSA-N 2 1 298.386 3.057 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c2ccccc2n1C ZINC001205266778 812921285 /nfs/dbraw/zinc/92/12/85/812921285.db2.gz XNKMVULNEBLXGV-GOSISDBHSA-N 2 1 285.435 3.190 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(O)c1 ZINC001206639530 813382094 /nfs/dbraw/zinc/38/20/94/813382094.db2.gz DNSBRKNCWICDQK-CQSZACIVSA-N 2 1 276.424 3.076 20 10 CGCDMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001206806219 813442180 /nfs/dbraw/zinc/44/21/80/813442180.db2.gz GARIDUPNKYOMQR-UONOGXRCSA-N 2 1 290.451 3.249 20 10 CGCDMP Oc1c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)ccc2ccccc21 ZINC001222355239 816418088 /nfs/dbraw/zinc/41/80/88/816418088.db2.gz QHHLSUAMUDDVCP-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)ccc2ccccc21 ZINC001222355239 816418094 /nfs/dbraw/zinc/41/80/94/816418094.db2.gz QHHLSUAMUDDVCP-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC001235244492 819046086 /nfs/dbraw/zinc/04/60/86/819046086.db2.gz FLSVYTSQOJWCSX-RDTXWAMCSA-N 2 1 288.435 3.003 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC001235244492 819046092 /nfs/dbraw/zinc/04/60/92/819046092.db2.gz FLSVYTSQOJWCSX-RDTXWAMCSA-N 2 1 288.435 3.003 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235841971 819183063 /nfs/dbraw/zinc/18/30/63/819183063.db2.gz KUDPXRGWNFWQKE-GOSISDBHSA-N 2 1 297.446 3.135 20 10 CGCDMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235902872 819211840 /nfs/dbraw/zinc/21/18/40/819211840.db2.gz GWCLJASQRNDVBG-SWLSCSKDSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235902872 819211845 /nfs/dbraw/zinc/21/18/45/819211845.db2.gz GWCLJASQRNDVBG-SWLSCSKDSA-N 2 1 276.424 3.001 20 10 CGCDMP CCc1ccc(C[NH+]2CCC([NH+](CC)CC)CC2)c(O)c1 ZINC001236786704 819595522 /nfs/dbraw/zinc/59/55/22/819595522.db2.gz GWUIQKGGBXNSOL-UHFFFAOYSA-N 2 1 290.451 3.261 20 10 CGCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836297 819615334 /nfs/dbraw/zinc/61/53/34/819615334.db2.gz GMMKDHUSSIQCAA-IBGZPJMESA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836297 819615339 /nfs/dbraw/zinc/61/53/39/819615339.db2.gz GMMKDHUSSIQCAA-IBGZPJMESA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836297 819615347 /nfs/dbraw/zinc/61/53/47/819615347.db2.gz GMMKDHUSSIQCAA-IBGZPJMESA-N 2 1 296.414 3.073 20 10 CGCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836303 819615573 /nfs/dbraw/zinc/61/55/73/819615573.db2.gz GMMKDHUSSIQCAA-LJQANCHMSA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836303 819615577 /nfs/dbraw/zinc/61/55/77/819615577.db2.gz GMMKDHUSSIQCAA-LJQANCHMSA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236836303 819615580 /nfs/dbraw/zinc/61/55/80/819615580.db2.gz GMMKDHUSSIQCAA-LJQANCHMSA-N 2 1 296.414 3.073 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(O)c1 ZINC001237054329 819654680 /nfs/dbraw/zinc/65/46/80/819654680.db2.gz VXWSQUGKZBNRHP-UHFFFAOYSA-N 2 1 290.451 3.433 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237400786 819743113 /nfs/dbraw/zinc/74/31/13/819743113.db2.gz AFDNQDDHIOYIEQ-QAPCUYQASA-N 2 1 296.414 3.119 20 10 CGCDMP Cc1cc(O)c(CN(C)C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC001308585638 928533698 /nfs/dbraw/zinc/53/36/98/928533698.db2.gz PNASRCOMXDPTRG-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CCCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404451 931952794 /nfs/dbraw/zinc/95/27/94/931952794.db2.gz HSZOVCXVTHTMDJ-UHFFFAOYSA-N 2 1 289.467 3.060 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(C)cc1O ZINC001321542408 934193023 /nfs/dbraw/zinc/19/30/23/934193023.db2.gz LKNMKSGFFQTHKW-WBVHZDCISA-N 2 1 290.451 3.473 20 10 CGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000162831868 346180172 /nfs/dbraw/zinc/18/01/72/346180172.db2.gz IRNBCGXFTBVRMS-UHFFFAOYSA-N 2 1 287.407 3.036 20 10 CGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000162831868 346180174 /nfs/dbraw/zinc/18/01/74/346180174.db2.gz IRNBCGXFTBVRMS-UHFFFAOYSA-N 2 1 287.407 3.036 20 10 CGCDMP Cc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000180363007 373995148 /nfs/dbraw/zinc/99/51/48/373995148.db2.gz LXELRMHYXYVNIL-QGZVFWFLSA-N 2 1 288.435 3.151 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000285173620 380144805 /nfs/dbraw/zinc/14/48/05/380144805.db2.gz NBDNSDSSQBCNNI-AWEZNQCLSA-N 2 1 287.407 3.255 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(O)c1 ZINC000756491601 626709243 /nfs/dbraw/zinc/70/92/43/626709243.db2.gz WNMOSXHRFAOBCR-AWEZNQCLSA-N 2 1 288.435 3.368 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756615966 626720481 /nfs/dbraw/zinc/72/04/81/626720481.db2.gz XTYIZTRPKRBKBC-UHXUPSOCSA-N 2 1 292.398 3.152 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756615966 626720485 /nfs/dbraw/zinc/72/04/85/626720485.db2.gz XTYIZTRPKRBKBC-UHXUPSOCSA-N 2 1 292.398 3.152 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2c1c(F)ccc2O ZINC000756615963 626720609 /nfs/dbraw/zinc/72/06/09/626720609.db2.gz XTYIZTRPKRBKBC-BYNQJWBRSA-N 2 1 292.398 3.152 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2c1c(F)ccc2O ZINC000756615963 626720611 /nfs/dbraw/zinc/72/06/11/626720611.db2.gz XTYIZTRPKRBKBC-BYNQJWBRSA-N 2 1 292.398 3.152 20 10 CGCDMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000775830180 628140241 /nfs/dbraw/zinc/14/02/41/628140241.db2.gz FGLKBKSHYXOOOA-CRAIPNDOSA-N 2 1 289.467 3.278 20 10 CGCDMP CCCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000801599515 630347758 /nfs/dbraw/zinc/34/77/58/630347758.db2.gz RASQRRPQJFKVST-QGZVFWFLSA-N 2 1 290.451 3.479 20 10 CGCDMP CCCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000801599515 630347760 /nfs/dbraw/zinc/34/77/60/630347760.db2.gz RASQRRPQJFKVST-QGZVFWFLSA-N 2 1 290.451 3.479 20 10 CGCDMP CCCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000801599515 630347762 /nfs/dbraw/zinc/34/77/62/630347762.db2.gz RASQRRPQJFKVST-QGZVFWFLSA-N 2 1 290.451 3.479 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000815578418 631799347 /nfs/dbraw/zinc/79/93/47/631799347.db2.gz NVMGPCKXRAMTQJ-HUUCEWRRSA-N 2 1 276.424 3.001 20 10 CGCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2ccccc2c1O ZINC000816598438 632021405 /nfs/dbraw/zinc/02/14/05/632021405.db2.gz BQRNXINMEPGZOC-UHFFFAOYSA-N 2 1 298.430 3.463 20 10 CGCDMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1O ZINC000817941309 632240433 /nfs/dbraw/zinc/24/04/33/632240433.db2.gz RWONJMXENFTXRG-QGZVFWFLSA-N 2 1 299.418 3.008 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(O)c1C ZINC000817958971 632254902 /nfs/dbraw/zinc/25/49/02/632254902.db2.gz NVOPHVCXGIIONT-KBPBESRZSA-N 2 1 264.413 3.033 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000817961654 632257620 /nfs/dbraw/zinc/25/76/20/632257620.db2.gz BVHDCIJFYXURSD-UONOGXRCSA-N 2 1 264.413 3.177 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(O)c1C ZINC000840810069 635055520 /nfs/dbraw/zinc/05/55/20/635055520.db2.gz OJDQNXGYGFBEBU-CVEARBPZSA-N 2 1 290.451 3.392 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000840881636 635072978 /nfs/dbraw/zinc/07/29/78/635072978.db2.gz PBOQHDHPKLGXIX-QWHCGFSZSA-N 2 1 294.826 3.070 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000840881636 635072984 /nfs/dbraw/zinc/07/29/84/635072984.db2.gz PBOQHDHPKLGXIX-QWHCGFSZSA-N 2 1 294.826 3.070 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000844902865 635981054 /nfs/dbraw/zinc/98/10/54/635981054.db2.gz VCGYXRKQJQGHBT-KDOFPFPSSA-N 2 1 289.467 3.010 20 10 CGCDMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1O ZINC000848888155 636676412 /nfs/dbraw/zinc/67/64/12/636676412.db2.gz NOHDNERIJXNLDD-RHSMWYFYSA-N 2 1 290.451 3.259 20 10 CGCDMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1O ZINC000848888155 636676415 /nfs/dbraw/zinc/67/64/15/636676415.db2.gz NOHDNERIJXNLDD-RHSMWYFYSA-N 2 1 290.451 3.259 20 10 CGCDMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1O ZINC000848888155 636676419 /nfs/dbraw/zinc/67/64/19/636676419.db2.gz NOHDNERIJXNLDD-RHSMWYFYSA-N 2 1 290.451 3.259 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1O ZINC000858490697 638740897 /nfs/dbraw/zinc/74/08/97/638740897.db2.gz LZCJEDZTJXUVKE-CZUORRHYSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000858490697 638740902 /nfs/dbraw/zinc/74/09/02/638740902.db2.gz LZCJEDZTJXUVKE-CZUORRHYSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1O ZINC000858490695 638741128 /nfs/dbraw/zinc/74/11/28/638741128.db2.gz LZCJEDZTJXUVKE-BBRMVZONSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000858490695 638741130 /nfs/dbraw/zinc/74/11/30/638741130.db2.gz LZCJEDZTJXUVKE-BBRMVZONSA-N 2 1 294.414 3.304 20 10 CGCDMP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252505612 640852031 /nfs/dbraw/zinc/85/20/31/640852031.db2.gz VBOSPKJRTDAAOM-SWLSCSKDSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252505612 640852034 /nfs/dbraw/zinc/85/20/34/640852034.db2.gz VBOSPKJRTDAAOM-SWLSCSKDSA-N 2 1 294.826 3.010 20 10 CGCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001205280626 812929090 /nfs/dbraw/zinc/92/90/90/812929090.db2.gz DRWYYGQAGXMEHE-SFHVURJKSA-N 2 1 284.403 3.249 20 10 CGCDMP CCC(CC)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001257291933 807089545 /nfs/dbraw/zinc/08/95/45/807089545.db2.gz OZSKQQKAMFPWBX-UHFFFAOYSA-N 2 1 276.424 3.135 20 10 CGCDMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC001172113286 808179854 /nfs/dbraw/zinc/17/98/54/808179854.db2.gz GCDGUACMVAQFNJ-PHZGNYQRSA-N 2 1 288.435 3.114 20 10 CGCDMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1O ZINC001184418376 810198495 /nfs/dbraw/zinc/19/84/95/810198495.db2.gz NLZYWJVVWDMVDH-GFCCVEGCSA-N 2 1 284.831 3.256 20 10 CGCDMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c2ccccc2n1C ZINC001205618382 813028983 /nfs/dbraw/zinc/02/89/83/813028983.db2.gz VQGSCIKNLGTZCE-GDBMZVCRSA-N 2 1 299.462 3.294 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206012233 813165084 /nfs/dbraw/zinc/16/50/84/813165084.db2.gz JDSRYARPESEJDO-QWHCGFSZSA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206563480 813354769 /nfs/dbraw/zinc/35/47/69/813354769.db2.gz DJYZASBYXQLDKY-IBGZPJMESA-N 2 1 298.430 3.496 20 10 CGCDMP Cc1ccc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1O ZINC001206591783 813367035 /nfs/dbraw/zinc/36/70/35/813367035.db2.gz VXKFOIUWMRXVLR-MRXNPFEDSA-N 2 1 290.451 3.362 20 10 CGCDMP Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222395110 816430984 /nfs/dbraw/zinc/43/09/84/816430984.db2.gz HEBCCRABYMEEQZ-GOSISDBHSA-N 2 1 288.435 3.117 20 10 CGCDMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222395110 816430988 /nfs/dbraw/zinc/43/09/88/816430988.db2.gz HEBCCRABYMEEQZ-GOSISDBHSA-N 2 1 288.435 3.117 20 10 CGCDMP CN1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@H]21 ZINC001231589805 818129750 /nfs/dbraw/zinc/12/97/50/818129750.db2.gz RNOVQVUBWLHGKW-CRAIPNDOSA-N 2 1 296.414 3.071 20 10 CGCDMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235902873 819211715 /nfs/dbraw/zinc/21/17/15/819211715.db2.gz GWCLJASQRNDVBG-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235902873 819211718 /nfs/dbraw/zinc/21/17/18/819211718.db2.gz GWCLJASQRNDVBG-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236417500 819464014 /nfs/dbraw/zinc/46/40/14/819464014.db2.gz FDGUYZWUOPVGMX-KDOFPFPSSA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236417500 819464021 /nfs/dbraw/zinc/46/40/21/819464021.db2.gz FDGUYZWUOPVGMX-KDOFPFPSSA-N 2 1 296.414 3.371 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237400784 819743135 /nfs/dbraw/zinc/74/31/35/819743135.db2.gz AFDNQDDHIOYIEQ-CRAIPNDOSA-N 2 1 296.414 3.119 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC001337784537 936288867 /nfs/dbraw/zinc/28/88/67/936288867.db2.gz BXBQUWCYADJXSK-STQMWFEESA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000296395505 373117014 /nfs/dbraw/zinc/11/70/14/373117014.db2.gz KFRDUGIFGJPVOU-HNSVSWJLSA-N 2 1 288.435 3.285 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415705 374001773 /nfs/dbraw/zinc/00/17/73/374001773.db2.gz DUOLJHWUTPCYIP-IUODEOHRSA-N 2 1 296.842 3.208 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415705 374001780 /nfs/dbraw/zinc/00/17/80/374001780.db2.gz DUOLJHWUTPCYIP-IUODEOHRSA-N 2 1 296.842 3.208 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415705 374001786 /nfs/dbraw/zinc/00/17/86/374001786.db2.gz DUOLJHWUTPCYIP-IUODEOHRSA-N 2 1 296.842 3.208 20 10 CGCDMP CCN1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415705 374001791 /nfs/dbraw/zinc/00/17/91/374001791.db2.gz DUOLJHWUTPCYIP-IUODEOHRSA-N 2 1 296.842 3.208 20 10 CGCDMP CC(C)N1CCC([N@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000271844922 378510239 /nfs/dbraw/zinc/51/02/39/378510239.db2.gz UOLSMLGBSORPGJ-UHFFFAOYSA-N 2 1 296.842 3.350 20 10 CGCDMP CC(C)N1CCC([N@@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000271844922 378510246 /nfs/dbraw/zinc/51/02/46/378510246.db2.gz UOLSMLGBSORPGJ-UHFFFAOYSA-N 2 1 296.842 3.350 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273438486 378746136 /nfs/dbraw/zinc/74/61/36/378746136.db2.gz XTQARVHRMCBSEP-CVEARBPZSA-N 2 1 290.451 3.392 20 10 CGCDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1O ZINC000185650727 262064331 /nfs/dbraw/zinc/06/43/31/262064331.db2.gz DCMNNAQYWWXELE-BNOWGMLFSA-N 2 1 280.387 3.055 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120800 290019280 /nfs/dbraw/zinc/01/92/80/290019280.db2.gz NJUWQDIQQFJUAB-QGTPRVQTSA-N 2 1 287.451 3.030 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120800 290019283 /nfs/dbraw/zinc/01/92/83/290019283.db2.gz NJUWQDIQQFJUAB-QGTPRVQTSA-N 2 1 287.451 3.030 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120944 290053042 /nfs/dbraw/zinc/05/30/42/290053042.db2.gz NJUWQDIQQFJUAB-WBAXXEDZSA-N 2 1 287.451 3.030 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000218120944 290053046 /nfs/dbraw/zinc/05/30/46/290053046.db2.gz NJUWQDIQQFJUAB-WBAXXEDZSA-N 2 1 287.451 3.030 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000251705649 334367741 /nfs/dbraw/zinc/36/77/41/334367741.db2.gz PBWIGZJHVHVKLH-LESCRADOSA-N 2 1 287.451 3.030 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000280011092 519862034 /nfs/dbraw/zinc/86/20/34/519862034.db2.gz GRYYDKJIRKXZNE-DOTOQJQBSA-N 2 1 290.451 3.473 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000840808336 626180200 /nfs/dbraw/zinc/18/02/00/626180200.db2.gz BEXRVSDOTIQAGC-LSDHHAIUSA-N 2 1 276.424 3.083 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000756550563 626714113 /nfs/dbraw/zinc/71/41/13/626714113.db2.gz IYLPKEIKYHQCAZ-DYEKYZERSA-N 2 1 292.398 3.011 20 10 CGCDMP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(F)cc1O ZINC000796748380 629824631 /nfs/dbraw/zinc/82/46/31/629824631.db2.gz UQDPHXUDLFMACQ-MRXNPFEDSA-N 2 1 294.414 3.304 20 10 CGCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616800 632024588 /nfs/dbraw/zinc/02/45/88/632024588.db2.gz GTXRGXHNNDMTMN-IBGZPJMESA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616800 632024600 /nfs/dbraw/zinc/02/46/00/632024600.db2.gz GTXRGXHNNDMTMN-IBGZPJMESA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616800 632024606 /nfs/dbraw/zinc/02/46/06/632024606.db2.gz GTXRGXHNNDMTMN-IBGZPJMESA-N 2 1 296.414 3.073 20 10 CGCDMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1O ZINC000817938206 632237681 /nfs/dbraw/zinc/23/76/81/632237681.db2.gz GUHKCQFMTBNTIB-CQSZACIVSA-N 2 1 280.387 3.234 20 10 CGCDMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958181 632253722 /nfs/dbraw/zinc/25/37/22/632253722.db2.gz IMYVHLFOJMTCJF-WBVHZDCISA-N 2 1 277.456 3.167 20 10 CGCDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817958378 632253744 /nfs/dbraw/zinc/25/37/44/632253744.db2.gz IYNCQZDLXZZGTG-LOWVWBTDSA-N 2 1 280.387 3.043 20 10 CGCDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817958739 632254797 /nfs/dbraw/zinc/25/47/97/632254797.db2.gz MDDYBSHJOKHUNA-CJNGLKHVSA-N 2 1 290.451 3.295 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)c2c1c(F)ccc2O ZINC000817982696 632272531 /nfs/dbraw/zinc/27/25/31/632272531.db2.gz VNDBBNLPMXUIKA-DDTOSNHZSA-N 2 1 292.398 3.187 20 10 CGCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000873231608 634294596 /nfs/dbraw/zinc/29/45/96/634294596.db2.gz SEACLSNXBIVMTC-CMDGGOBGSA-N 2 1 289.467 3.217 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000840808457 635055702 /nfs/dbraw/zinc/05/57/02/635055702.db2.gz CNZQDCUWZWMPNE-GJZGRUSLSA-N 2 1 276.424 3.083 20 10 CGCDMP CN(C)c1ccc(/C=C\C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000841040142 635112654 /nfs/dbraw/zinc/11/26/54/635112654.db2.gz JYLPXBAEFXSCFL-SREVYHEPSA-N 2 1 287.451 3.017 20 10 CGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000877741753 635177312 /nfs/dbraw/zinc/17/73/12/635177312.db2.gz NKCFBYCCTAGMLZ-QAPCUYQASA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000877741753 635177314 /nfs/dbraw/zinc/17/73/14/635177314.db2.gz NKCFBYCCTAGMLZ-QAPCUYQASA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000877741753 635177317 /nfs/dbraw/zinc/17/73/17/635177317.db2.gz NKCFBYCCTAGMLZ-QAPCUYQASA-N 2 1 296.414 3.071 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000843113195 635559798 /nfs/dbraw/zinc/55/97/98/635559798.db2.gz OMNSVUQTGJUNAR-MRXNPFEDSA-N 2 1 289.467 3.094 20 10 CGCDMP CCC[NH+]1CCC(C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886522533 637551484 /nfs/dbraw/zinc/55/14/84/637551484.db2.gz LSRWGPDRGUFEHG-CYBMUJFWSA-N 2 1 294.414 3.304 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001118122712 802527039 /nfs/dbraw/zinc/52/70/39/802527039.db2.gz ZRAYEVUDJZCINT-MJBXVCDLSA-N 2 1 276.424 3.356 20 10 CGCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205016800 812825914 /nfs/dbraw/zinc/82/59/14/812825914.db2.gz KPEAHDOYNWLFIY-AWEZNQCLSA-N 2 1 290.451 3.121 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c2ccccc21 ZINC001205093708 812859082 /nfs/dbraw/zinc/85/90/82/812859082.db2.gz FDEPZXFKXWBKOZ-INIZCTEOSA-N 2 1 297.446 3.219 20 10 CGCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001205914130 813131401 /nfs/dbraw/zinc/13/14/01/813131401.db2.gz LGRUBKPBGWTHJD-KGLIPLIRSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001205916596 813133345 /nfs/dbraw/zinc/13/33/45/813133345.db2.gz UQTLWTHGCUDWIN-ZFWWWQNUSA-N 2 1 284.403 3.105 20 10 CGCDMP CCc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(O)c1 ZINC001206598734 813369740 /nfs/dbraw/zinc/36/97/40/813369740.db2.gz LWWILTNWOOTMNP-QGZVFWFLSA-N 2 1 290.451 3.307 20 10 CGCDMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001206805107 813441822 /nfs/dbraw/zinc/44/18/22/813441822.db2.gz ABGCTVSRNLCANX-UONOGXRCSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2ccccc2n1C ZINC001235093797 818998915 /nfs/dbraw/zinc/99/89/15/818998915.db2.gz STKXVMCBPQKKHS-UHFFFAOYSA-N 2 1 297.446 3.062 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c2ccccc21 ZINC001235925481 819225011 /nfs/dbraw/zinc/22/50/11/819225011.db2.gz QGMLSHNAZCEVGL-INIZCTEOSA-N 2 1 297.446 3.219 20 10 CGCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236067700 819298483 /nfs/dbraw/zinc/29/84/83/819298483.db2.gz UDYNYIBIYWTGAF-QGZVFWFLSA-N 2 1 297.446 3.135 20 10 CGCDMP Cc1ccc(C)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1O ZINC001237157035 819683417 /nfs/dbraw/zinc/68/34/17/819683417.db2.gz YEHADGQAHVOFPZ-MRXNPFEDSA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1ccc(C)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1O ZINC001237157035 819683420 /nfs/dbraw/zinc/68/34/20/819683420.db2.gz YEHADGQAHVOFPZ-MRXNPFEDSA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001321023144 934136023 /nfs/dbraw/zinc/13/60/23/934136023.db2.gz KLOTVBJOKVTLIA-ZFWWWQNUSA-N 2 1 299.418 3.434 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CCC[N@@H+](C)CC(C)C)c(Cl)c1 ZINC001560523550 938261512 /nfs/dbraw/zinc/26/15/12/938261512.db2.gz JEEJTQFLAWUVLK-UHFFFAOYSA-N 2 1 298.858 3.422 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CCC[N@H+](C)CC(C)C)c(Cl)c1 ZINC001560523550 938261513 /nfs/dbraw/zinc/26/15/13/938261513.db2.gz JEEJTQFLAWUVLK-UHFFFAOYSA-N 2 1 298.858 3.422 20 10 CGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000293731439 372464884 /nfs/dbraw/zinc/46/48/84/372464884.db2.gz MZMDIGDBPRCVOX-CABCVRRESA-N 2 1 276.424 3.001 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000185358019 374646303 /nfs/dbraw/zinc/64/63/03/374646303.db2.gz WHBODUXBWUDHCV-HZPDHXFCSA-N 2 1 290.451 3.472 20 10 CGCDMP CCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1O ZINC000270680574 378387299 /nfs/dbraw/zinc/38/72/99/378387299.db2.gz UOAWMRIWDILHRY-UHFFFAOYSA-N 2 1 287.407 3.199 20 10 CGCDMP CCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1O ZINC000270680574 378387302 /nfs/dbraw/zinc/38/73/02/378387302.db2.gz UOAWMRIWDILHRY-UHFFFAOYSA-N 2 1 287.407 3.199 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271825593 378508046 /nfs/dbraw/zinc/50/80/46/378508046.db2.gz CZUDHKBMJIEGRK-OAHLLOKOSA-N 2 1 287.451 3.055 20 10 CGCDMP CCCC[N@@H+](CCCn1ccnc1)Cc1ccccc1O ZINC000282549089 379944052 /nfs/dbraw/zinc/94/40/52/379944052.db2.gz WZCGLPSVVSAFBO-UHFFFAOYSA-N 2 1 287.407 3.281 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1O ZINC000285572351 380150236 /nfs/dbraw/zinc/15/02/36/380150236.db2.gz IBGAKMCRZXUSFV-LRDDRELGSA-N 2 1 292.398 3.056 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1O ZINC000285572351 380150240 /nfs/dbraw/zinc/15/02/40/380150240.db2.gz IBGAKMCRZXUSFV-LRDDRELGSA-N 2 1 292.398 3.056 20 10 CGCDMP C[N@@H+](Cc1cc(Cl)ccc1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367708954 382354764 /nfs/dbraw/zinc/35/47/64/382354764.db2.gz RPEFPNBVYNNAIH-YIONKMFJSA-N 2 1 294.826 3.103 20 10 CGCDMP C[NH+](Cc1cc(Cl)ccc1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367708954 382354769 /nfs/dbraw/zinc/35/47/69/382354769.db2.gz RPEFPNBVYNNAIH-YIONKMFJSA-N 2 1 294.826 3.103 20 10 CGCDMP C[NH+](Cc1cc(Cl)ccc1O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367708954 382354773 /nfs/dbraw/zinc/35/47/73/382354773.db2.gz RPEFPNBVYNNAIH-YIONKMFJSA-N 2 1 294.826 3.103 20 10 CGCDMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(N(C)C)cc1 ZINC000159294100 261183739 /nfs/dbraw/zinc/18/37/39/261183739.db2.gz SMJWESPSNRPQNP-SFHVURJKSA-N 2 1 289.467 3.278 20 10 CGCDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1O ZINC000530214145 333528276 /nfs/dbraw/zinc/52/82/76/333528276.db2.gz BHMPCOXLPOFAMJ-GDBMZVCRSA-N 2 1 274.408 3.026 20 10 CGCDMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C)cc1O ZINC000280156360 522811756 /nfs/dbraw/zinc/81/17/56/522811756.db2.gz QLIPJKLLVVETNW-QGZVFWFLSA-N 2 1 288.435 3.368 20 10 CGCDMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000161529369 618690155 /nfs/dbraw/zinc/69/01/55/618690155.db2.gz CKENCLIKBAXJEM-INIZCTEOSA-N 2 1 276.424 3.089 20 10 CGCDMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000161529369 618690159 /nfs/dbraw/zinc/69/01/59/618690159.db2.gz CKENCLIKBAXJEM-INIZCTEOSA-N 2 1 276.424 3.089 20 10 CGCDMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000161529369 618690166 /nfs/dbraw/zinc/69/01/66/618690166.db2.gz CKENCLIKBAXJEM-INIZCTEOSA-N 2 1 276.424 3.089 20 10 CGCDMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(F)cc1O ZINC000186545667 626016705 /nfs/dbraw/zinc/01/67/05/626016705.db2.gz OPWTWRZCLPYGJE-UONOGXRCSA-N 2 1 294.414 3.446 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1O ZINC000809735801 630794713 /nfs/dbraw/zinc/79/47/13/630794713.db2.gz UBJGWMNLNXXQFP-CYBMUJFWSA-N 2 1 296.842 3.174 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816538215 632005708 /nfs/dbraw/zinc/00/57/08/632005708.db2.gz JIZCZNAVWAPENT-OAHLLOKOSA-N 2 1 298.430 3.367 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000817963582 632258428 /nfs/dbraw/zinc/25/84/28/632258428.db2.gz VJHYEGLNUFHRFQ-KGLIPLIRSA-N 2 1 264.413 3.177 20 10 CGCDMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817977824 632268502 /nfs/dbraw/zinc/26/85/02/632268502.db2.gz PYJPMJTUEFATEA-IUCAKERBSA-N 2 1 291.222 3.477 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1Cl ZINC000824862513 633302045 /nfs/dbraw/zinc/30/20/45/633302045.db2.gz KCYCSEFOXBQRNC-OCCSQVGLSA-N 2 1 296.842 3.269 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000825122061 633330754 /nfs/dbraw/zinc/33/07/54/633330754.db2.gz WKZDEKJXNSVPCH-KBPBESRZSA-N 2 1 294.826 3.070 20 10 CGCDMP [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841086370 635119774 /nfs/dbraw/zinc/11/97/74/635119774.db2.gz INYJUBPCDMMFFV-DOMZBBRYSA-N 2 1 294.826 3.010 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490724 638741528 /nfs/dbraw/zinc/74/15/28/638741528.db2.gz MOJOMINCHYBOAR-JKSUJKDBSA-N 2 1 289.467 3.135 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1O ZINC000036996632 798855686 /nfs/dbraw/zinc/85/56/86/798855686.db2.gz VZSSWQBMEICTLX-ARFHVFGLSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1O ZINC000036996632 798855693 /nfs/dbraw/zinc/85/56/93/798855693.db2.gz VZSSWQBMEICTLX-ARFHVFGLSA-N 2 1 274.408 3.060 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001118122708 802527372 /nfs/dbraw/zinc/52/73/72/802527372.db2.gz ZRAYEVUDJZCINT-MCIONIFRSA-N 2 1 276.424 3.356 20 10 CGCDMP Cc1c(C[NH+]2CCC([NH+]3CCC3)CC2)c2ccccc2n1C ZINC001138259376 803884913 /nfs/dbraw/zinc/88/49/13/803884913.db2.gz HQQGLRLSAOYXJV-UHFFFAOYSA-N 2 1 297.446 3.157 20 10 CGCDMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1O ZINC001172105109 808176781 /nfs/dbraw/zinc/17/67/81/808176781.db2.gz GUNGJEUHPCLYJF-XQLPTFJDSA-N 2 1 274.408 3.058 20 10 CGCDMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1O ZINC001172105109 808176783 /nfs/dbraw/zinc/17/67/83/808176783.db2.gz GUNGJEUHPCLYJF-XQLPTFJDSA-N 2 1 274.408 3.058 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC001204411194 812632716 /nfs/dbraw/zinc/63/27/16/812632716.db2.gz LTMIOUIADYCJMT-UHFFFAOYSA-N 2 1 276.424 3.042 20 10 CGCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205008433 812823740 /nfs/dbraw/zinc/82/37/40/812823740.db2.gz AOQXSNMZKXITQP-AWEZNQCLSA-N 2 1 290.451 3.121 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@@H]1C[NH3+] ZINC001205306498 812944332 /nfs/dbraw/zinc/94/43/32/812944332.db2.gz WONKKIKTBVOXIF-HIFRSBDPSA-N 2 1 290.451 3.106 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@H]1C[NH3+] ZINC001205316903 812949602 /nfs/dbraw/zinc/94/96/02/812949602.db2.gz MDROLEJBWUHLPR-DZGCQCFKSA-N 2 1 290.451 3.106 20 10 CGCDMP Cc1cc(C[N@H+]2CC[NH2+]CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001205324836 812954679 /nfs/dbraw/zinc/95/46/79/812954679.db2.gz GSVLQUDBMOXVTA-OAHLLOKOSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1cc(C[N@@H+]2CC[NH2+]CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001205324836 812954683 /nfs/dbraw/zinc/95/46/83/812954683.db2.gz GSVLQUDBMOXVTA-OAHLLOKOSA-N 2 1 297.446 3.278 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206639569 813381913 /nfs/dbraw/zinc/38/19/13/813381913.db2.gz FDIOHVGITMRAQQ-CQSZACIVSA-N 2 1 290.451 3.251 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210474057 814477669 /nfs/dbraw/zinc/47/76/69/814477669.db2.gz DCSOAUPVJHJEGW-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210474057 814477673 /nfs/dbraw/zinc/47/76/73/814477673.db2.gz DCSOAUPVJHJEGW-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001222153797 816360927 /nfs/dbraw/zinc/36/09/27/816360927.db2.gz ACFGWCRPXWWDFM-GOSISDBHSA-N 2 1 288.435 3.091 20 10 CGCDMP Oc1c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)ccc2ccccc21 ZINC001222248272 816386671 /nfs/dbraw/zinc/38/66/71/816386671.db2.gz KEBXXDLRBSOAEH-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222253805 816387468 /nfs/dbraw/zinc/38/74/68/816387468.db2.gz SOKOOZQWGMITSA-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP C[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215686 819381175 /nfs/dbraw/zinc/38/11/75/819381175.db2.gz IBRPQXABWZTIDP-IRXDYDNUSA-N 2 1 284.403 3.247 20 10 CGCDMP Nc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236540161 819529007 /nfs/dbraw/zinc/52/90/07/819529007.db2.gz IVHUABLAZRIKAL-IYARVYRRSA-N 2 1 287.451 3.141 20 10 CGCDMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001236604228 819550519 /nfs/dbraw/zinc/55/05/19/819550519.db2.gz JTTJGIGFZALESN-LJQANCHMSA-N 2 1 297.446 3.265 20 10 CGCDMP CCC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236844058 819620615 /nfs/dbraw/zinc/62/06/15/819620615.db2.gz SLMTZCJMYVCPQK-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237410526 819747224 /nfs/dbraw/zinc/74/72/24/819747224.db2.gz DTFPDEOBFDQBHG-NVXWUHKLSA-N 2 1 288.435 3.090 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccccc1O ZINC000155480865 928253600 /nfs/dbraw/zinc/25/36/00/928253600.db2.gz IPOBFUOGBURYDQ-GDBMZVCRSA-N 2 1 276.424 3.165 20 10 CGCDMP CCC(CC)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412803 931952109 /nfs/dbraw/zinc/95/21/09/931952109.db2.gz ODINQZBJBPTPRG-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP Oc1cc(F)c(F)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC001462280075 937629850 /nfs/dbraw/zinc/62/98/50/937629850.db2.gz DYVZXBSOEIWNAO-UHFFFAOYSA-N 2 1 298.377 3.026 20 10 CGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000293731452 372464703 /nfs/dbraw/zinc/46/47/03/372464703.db2.gz MZMDIGDBPRCVOX-GJZGRUSLSA-N 2 1 276.424 3.001 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(O)c1 ZINC000294436775 372654726 /nfs/dbraw/zinc/65/47/26/372654726.db2.gz VBIGSIBCWOODKL-LSDHHAIUSA-N 2 1 299.418 3.119 20 10 CGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000479435680 375151316 /nfs/dbraw/zinc/15/13/16/375151316.db2.gz GSFPXCNEXMQHBB-JKIFEVAISA-N 2 1 299.462 3.305 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273300342 378740925 /nfs/dbraw/zinc/74/09/25/378740925.db2.gz BFJOFNHKWNQXTP-AWEZNQCLSA-N 2 1 276.424 3.144 20 10 CGCDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273368953 378742437 /nfs/dbraw/zinc/74/24/37/378742437.db2.gz CDGVBTVSFNLEIM-ZDUSSCGKSA-N 2 1 295.386 3.401 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000840808333 626179882 /nfs/dbraw/zinc/17/98/82/626179882.db2.gz BEXRVSDOTIQAGC-HUUCEWRRSA-N 2 1 276.424 3.083 20 10 CGCDMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775652394 628120410 /nfs/dbraw/zinc/12/04/10/628120410.db2.gz YWFWTTUUHVZGSL-MRXNPFEDSA-N 2 1 289.467 3.059 20 10 CGCDMP Cc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1O ZINC000775659123 628121083 /nfs/dbraw/zinc/12/10/83/628121083.db2.gz XTFDRCUTCMMIFZ-UHFFFAOYSA-N 2 1 290.451 3.253 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000794803569 629578953 /nfs/dbraw/zinc/57/89/53/629578953.db2.gz APMNJKBWKZLQCP-GDBMZVCRSA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1O ZINC000798958064 630128509 /nfs/dbraw/zinc/12/85/09/630128509.db2.gz LJYDVKMTUATXEL-UHFFFAOYSA-N 2 1 296.842 3.272 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1O ZINC000798958064 630128511 /nfs/dbraw/zinc/12/85/11/630128511.db2.gz LJYDVKMTUATXEL-UHFFFAOYSA-N 2 1 296.842 3.272 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000808698964 630666672 /nfs/dbraw/zinc/66/66/72/630666672.db2.gz OIOWOEUNNFHURP-OBJOEFQTSA-N 2 1 296.842 3.487 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000808698964 630666674 /nfs/dbraw/zinc/66/66/74/630666674.db2.gz OIOWOEUNNFHURP-OBJOEFQTSA-N 2 1 296.842 3.487 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000815560918 631795885 /nfs/dbraw/zinc/79/58/85/631795885.db2.gz UHQMCZWKBDYCLA-ARFHVFGLSA-N 2 1 288.435 3.286 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1 ZINC000815583740 631800771 /nfs/dbraw/zinc/80/07/71/631800771.db2.gz NIMXLNGWNRWWLK-KKUMJFAQSA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000815583740 631800774 /nfs/dbraw/zinc/80/07/74/631800774.db2.gz NIMXLNGWNRWWLK-KKUMJFAQSA-N 2 1 276.424 3.142 20 10 CGCDMP CN(C)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000817900588 632231713 /nfs/dbraw/zinc/23/17/13/632231713.db2.gz OCRMDSFQMSMUDW-IRXDYDNUSA-N 2 1 299.393 3.126 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000817958151 632253046 /nfs/dbraw/zinc/25/30/46/632253046.db2.gz IKKJUZXBCMABOP-HOCLYGCPSA-N 2 1 277.456 3.167 20 10 CGCDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960386 632255750 /nfs/dbraw/zinc/25/57/50/632255750.db2.gz YNFFQTSUISPVLU-KBXCAEBGSA-N 2 1 289.467 3.311 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(O)c1 ZINC000817960021 632256616 /nfs/dbraw/zinc/25/66/16/632256616.db2.gz WOPJBONIIOAMSI-CJNGLKHVSA-N 2 1 276.424 3.259 20 10 CGCDMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817970587 632265101 /nfs/dbraw/zinc/26/51/01/632265101.db2.gz ALDRPJQIYRDMNE-LSDHHAIUSA-N 2 1 275.440 3.065 20 10 CGCDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1O ZINC000817986863 632275697 /nfs/dbraw/zinc/27/56/97/632275697.db2.gz VAHVFFJBCYIZCK-UKRRQHHQSA-N 2 1 292.398 3.247 20 10 CGCDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841088017 635120071 /nfs/dbraw/zinc/12/00/71/635120071.db2.gz UXSIOUQSWQZNEG-QGZVFWFLSA-N 2 1 289.467 3.140 20 10 CGCDMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1O ZINC000248384596 640754074 /nfs/dbraw/zinc/75/40/74/640754074.db2.gz FLHXRAXBDOYBSN-OWCLPIDISA-N 2 1 290.451 3.411 20 10 CGCDMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(O)c1 ZINC001276168196 808990587 /nfs/dbraw/zinc/99/05/87/808990587.db2.gz CKZBOKUJQFLMNW-UHFFFAOYSA-N 2 1 288.435 3.008 20 10 CGCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205008434 812823342 /nfs/dbraw/zinc/82/33/42/812823342.db2.gz AOQXSNMZKXITQP-CQSZACIVSA-N 2 1 290.451 3.121 20 10 CGCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001205917508 813132267 /nfs/dbraw/zinc/13/22/67/813132267.db2.gz ZLTKWXKVLHWXIF-KBPBESRZSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001206262995 813261872 /nfs/dbraw/zinc/26/18/72/813261872.db2.gz KYCADPCKASVROF-HNNXBMFYSA-N 2 1 296.414 3.243 20 10 CGCDMP Cc1cc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c(C)n1-c1ccccc1 ZINC001210474619 814478830 /nfs/dbraw/zinc/47/88/30/814478830.db2.gz HIEJHGXQZSQGCX-OAHLLOKOSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1cc(C[N@H+]2CC[NH2+][C@H](C)CC2)c(C)n1-c1ccccc1 ZINC001210474619 814478836 /nfs/dbraw/zinc/47/88/36/814478836.db2.gz HIEJHGXQZSQGCX-OAHLLOKOSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001235843176 819184569 /nfs/dbraw/zinc/18/45/69/819184569.db2.gz XCPNHGKHABMNBX-QGZVFWFLSA-N 2 1 297.446 3.135 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976988 819256505 /nfs/dbraw/zinc/25/65/05/819256505.db2.gz DWEGXKXHOSOFDN-IEBWSBKVSA-N 2 1 295.430 3.017 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976988 819256512 /nfs/dbraw/zinc/25/65/12/819256512.db2.gz DWEGXKXHOSOFDN-IEBWSBKVSA-N 2 1 295.430 3.017 20 10 CGCDMP C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236207035 819368779 /nfs/dbraw/zinc/36/87/79/819368779.db2.gz NBRYNAYPGABNBZ-GOSISDBHSA-N 2 1 290.451 3.264 20 10 CGCDMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236207035 819368785 /nfs/dbraw/zinc/36/87/85/819368785.db2.gz NBRYNAYPGABNBZ-GOSISDBHSA-N 2 1 290.451 3.264 20 10 CGCDMP CC[N@H+](C)C1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236837650 819616370 /nfs/dbraw/zinc/61/63/70/819616370.db2.gz SKKKYTRSDOHYGA-UHFFFAOYSA-N 2 1 298.430 3.462 20 10 CGCDMP CC[N@@H+](C)C1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236837650 819616374 /nfs/dbraw/zinc/61/63/74/819616374.db2.gz SKKKYTRSDOHYGA-UHFFFAOYSA-N 2 1 298.430 3.462 20 10 CGCDMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC001326034897 928265699 /nfs/dbraw/zinc/26/56/99/928265699.db2.gz BEAWKYQKCBLNRN-VHSXEESVSA-N 2 1 290.329 3.060 20 10 CGCDMP Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(O)c1 ZINC001462532842 937648471 /nfs/dbraw/zinc/64/84/71/937648471.db2.gz JOIJCIYIIKPZCX-UHFFFAOYSA-N 2 1 290.451 3.399 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1O ZINC000124567806 370926239 /nfs/dbraw/zinc/92/62/39/370926239.db2.gz ZKPCEAXNLUIAGZ-CJNGLKHVSA-N 2 1 287.407 3.274 20 10 CGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000479435672 375150966 /nfs/dbraw/zinc/15/09/66/375150966.db2.gz GSFPXCNEXMQHBB-GRDNDAEWSA-N 2 1 299.462 3.305 20 10 CGCDMP C[N@H+](Cc1c(O)ccc2ccccc21)CC1CC[NH+](C)CC1 ZINC000103462122 523156678 /nfs/dbraw/zinc/15/66/78/523156678.db2.gz YSEIZUAONLQOBO-UHFFFAOYSA-N 2 1 298.430 3.319 20 10 CGCDMP CC[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000151671276 623556588 /nfs/dbraw/zinc/55/65/88/623556588.db2.gz SYSYBRMROLJYDE-DOTOQJQBSA-N 2 1 289.467 3.278 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000840810664 626207617 /nfs/dbraw/zinc/20/76/17/626207617.db2.gz VLSVRCNNSHOIBF-HZPDHXFCSA-N 2 1 290.451 3.392 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469567 627556076 /nfs/dbraw/zinc/55/60/76/627556076.db2.gz AEVNMMGIVDYEKF-MAUKXSAKSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469567 627556077 /nfs/dbraw/zinc/55/60/77/627556077.db2.gz AEVNMMGIVDYEKF-MAUKXSAKSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469567 627556080 /nfs/dbraw/zinc/55/60/80/627556080.db2.gz AEVNMMGIVDYEKF-MAUKXSAKSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775492292 628100543 /nfs/dbraw/zinc/10/05/43/628100543.db2.gz NBXHURXQTMWSHP-FZMZJTMJSA-N 2 1 293.798 3.372 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(O)c1 ZINC000817960022 632256457 /nfs/dbraw/zinc/25/64/57/632256457.db2.gz WOPJBONIIOAMSI-CZUORRHYSA-N 2 1 276.424 3.259 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000817963583 632258940 /nfs/dbraw/zinc/25/89/40/632258940.db2.gz VJHYEGLNUFHRFQ-UONOGXRCSA-N 2 1 264.413 3.177 20 10 CGCDMP C[C@@H](C[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817970167 632262398 /nfs/dbraw/zinc/26/23/98/632262398.db2.gz NAJIMGJXWNCOGN-WMLDXEAASA-N 2 1 284.403 3.003 20 10 CGCDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979058 632269831 /nfs/dbraw/zinc/26/98/31/632269831.db2.gz HSLKRWKIWOBYQS-WBVHZDCISA-N 2 1 289.467 3.455 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1O ZINC000817986862 632276260 /nfs/dbraw/zinc/27/62/60/632276260.db2.gz VAHVFFJBCYIZCK-HIFRSBDPSA-N 2 1 292.398 3.247 20 10 CGCDMP Cc1cc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000825904002 633387876 /nfs/dbraw/zinc/38/78/76/633387876.db2.gz ZYDRMWAZCGHZAW-ZDUSSCGKSA-N 2 1 296.842 3.174 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1O ZINC000873245612 634298900 /nfs/dbraw/zinc/29/89/00/634298900.db2.gz SHDQKUNDNNSLBA-HIFRSBDPSA-N 2 1 294.414 3.350 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000873249983 634301169 /nfs/dbraw/zinc/30/11/69/634301169.db2.gz OLLVILPWQSFSIV-HLTSFMKQSA-N 2 1 289.206 3.087 20 10 CGCDMP Cc1cccc(O)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000876756434 634893029 /nfs/dbraw/zinc/89/30/29/634893029.db2.gz RSQQFFNQPWCJON-INIZCTEOSA-N 2 1 288.435 3.151 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000840881638 635073053 /nfs/dbraw/zinc/07/30/53/635073053.db2.gz PBOQHDHPKLGXIX-STQMWFEESA-N 2 1 294.826 3.070 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000840881638 635073057 /nfs/dbraw/zinc/07/30/57/635073057.db2.gz PBOQHDHPKLGXIX-STQMWFEESA-N 2 1 294.826 3.070 20 10 CGCDMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744194 635221756 /nfs/dbraw/zinc/22/17/56/635221756.db2.gz MTTYKKMKLJIIRC-LBPRGKRZSA-N 2 1 284.831 3.427 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744194 635221758 /nfs/dbraw/zinc/22/17/58/635221758.db2.gz MTTYKKMKLJIIRC-LBPRGKRZSA-N 2 1 284.831 3.427 20 10 CGCDMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Cl)cc1O ZINC000841745309 635222077 /nfs/dbraw/zinc/22/20/77/635222077.db2.gz POPYEUMKPBQSDS-QWHCGFSZSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cc1O ZINC000841746823 635223756 /nfs/dbraw/zinc/22/37/56/635223756.db2.gz LLEDXUNFLKKIEB-LLVKDONJSA-N 2 1 270.804 3.038 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000843048157 635549101 /nfs/dbraw/zinc/54/91/01/635549101.db2.gz QJGYSSMCQMPQLG-DLBZAZTESA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000843048157 635549106 /nfs/dbraw/zinc/54/91/06/635549106.db2.gz QJGYSSMCQMPQLG-DLBZAZTESA-N 2 1 288.435 3.116 20 10 CGCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000843048835 635550368 /nfs/dbraw/zinc/55/03/68/635550368.db2.gz ZQSRJMLMANXCHD-QGZVFWFLSA-N 2 1 289.467 3.094 20 10 CGCDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000843056500 635553131 /nfs/dbraw/zinc/55/31/31/635553131.db2.gz OCAKMIYMKQGOHG-DKFQHHCZSA-N 2 1 289.467 3.071 20 10 CGCDMP Cc1ccc(O)c(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000843122906 635560762 /nfs/dbraw/zinc/56/07/62/635560762.db2.gz FZGACXUEJWDMKB-UHFFFAOYSA-N 2 1 276.424 3.042 20 10 CGCDMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000845997178 636127815 /nfs/dbraw/zinc/12/78/15/636127815.db2.gz WKVRDWCSNQLQEM-UHFFFAOYSA-N 2 1 284.831 3.113 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000845997178 636127818 /nfs/dbraw/zinc/12/78/18/636127818.db2.gz WKVRDWCSNQLQEM-UHFFFAOYSA-N 2 1 284.831 3.113 20 10 CGCDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1O ZINC000246166449 640661624 /nfs/dbraw/zinc/66/16/24/640661624.db2.gz BSCLTWUKIRCTAH-ZIAGYGMSSA-N 2 1 294.414 3.446 20 10 CGCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1O ZINC000246166449 640661633 /nfs/dbraw/zinc/66/16/33/640661633.db2.gz BSCLTWUKIRCTAH-ZIAGYGMSSA-N 2 1 294.414 3.446 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccccc2O)C1 ZINC000248546936 640768367 /nfs/dbraw/zinc/76/83/67/640768367.db2.gz FYPMGBAXIDCJPU-GDBMZVCRSA-N 2 1 276.424 3.165 20 10 CGCDMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172118234 808181609 /nfs/dbraw/zinc/18/16/09/808181609.db2.gz PMXBONOJJNUYNZ-OSYLJGHBSA-N 2 1 288.435 3.109 20 10 CGCDMP Oc1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001203555808 812390953 /nfs/dbraw/zinc/39/09/53/812390953.db2.gz GLBUMIXFFGHWIV-QGZVFWFLSA-N 2 1 288.435 3.233 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001205083736 812852932 /nfs/dbraw/zinc/85/29/32/812852932.db2.gz YLUHHOKZGYLXDF-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001205083736 812852943 /nfs/dbraw/zinc/85/29/43/812852943.db2.gz YLUHHOKZGYLXDF-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c2ccccc2n1C ZINC001205266779 812923469 /nfs/dbraw/zinc/92/34/69/812923469.db2.gz XNKMVULNEBLXGV-SFHVURJKSA-N 2 1 285.435 3.190 20 10 CGCDMP Cc1cc(C[N@H+]2CC[NH2+]CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001205324791 812954255 /nfs/dbraw/zinc/95/42/55/812954255.db2.gz GSVLQUDBMOXVTA-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1cc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001205324791 812954261 /nfs/dbraw/zinc/95/42/61/812954261.db2.gz GSVLQUDBMOXVTA-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001205917509 813132257 /nfs/dbraw/zinc/13/22/57/813132257.db2.gz ZLTKWXKVLHWXIF-KGLIPLIRSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1O ZINC001206574215 813359533 /nfs/dbraw/zinc/35/95/33/813359533.db2.gz QSAJOBFQAJUQQH-MRXNPFEDSA-N 2 1 296.842 3.305 20 10 CGCDMP CC[NH2+]C1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001235726964 819154472 /nfs/dbraw/zinc/15/44/72/819154472.db2.gz SSWGAZALFDWSHB-UHFFFAOYSA-N 2 1 290.451 3.264 20 10 CGCDMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])c(C)n1-c1ccccc1 ZINC001235925535 819225030 /nfs/dbraw/zinc/22/50/30/819225030.db2.gz TUIIVSVUFUBYFZ-SFHVURJKSA-N 2 1 297.446 3.407 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210474 819371833 /nfs/dbraw/zinc/37/18/33/819371833.db2.gz COSCRFBILVXSII-MSOLQXFVSA-N 2 1 289.467 3.235 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210474 819371842 /nfs/dbraw/zinc/37/18/42/819371842.db2.gz COSCRFBILVXSII-MSOLQXFVSA-N 2 1 289.467 3.235 20 10 CGCDMP CC[N@H+](Cc1ccc(C(C)(C)C)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236410703 819458025 /nfs/dbraw/zinc/45/80/25/819458025.db2.gz JJASADMWJJUMGB-CQSZACIVSA-N 2 1 290.451 3.121 20 10 CGCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236420767 819466638 /nfs/dbraw/zinc/46/66/38/819466638.db2.gz NOZLDOPNXTXKGQ-DOMZBBRYSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236420767 819466642 /nfs/dbraw/zinc/46/66/42/819466642.db2.gz NOZLDOPNXTXKGQ-DOMZBBRYSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236420770 819467080 /nfs/dbraw/zinc/46/70/80/819467080.db2.gz NOZLDOPNXTXKGQ-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236420770 819467086 /nfs/dbraw/zinc/46/70/86/819467086.db2.gz NOZLDOPNXTXKGQ-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157463 935191067 /nfs/dbraw/zinc/19/10/67/935191067.db2.gz WZFQLPDIHVJSAT-ZBFHGGJFSA-N 2 1 289.467 3.276 20 10 CGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157461 935191425 /nfs/dbraw/zinc/19/14/25/935191425.db2.gz WZFQLPDIHVJSAT-HOCLYGCPSA-N 2 1 289.467 3.276 20 10 CGCDMP Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(O)c1 ZINC001579691023 962655504 /nfs/dbraw/zinc/65/55/04/962655504.db2.gz ICIGZMNAROJSDS-UHFFFAOYSA-N 2 1 284.403 3.052 20 10 CGCDMP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1O ZINC000293756509 372472493 /nfs/dbraw/zinc/47/24/93/372472493.db2.gz QVQOWAIIIVKTHY-CQSZACIVSA-N 2 1 294.414 3.448 20 10 CGCDMP C[N@@H+](Cc1cccc(Cl)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377627347 379710071 /nfs/dbraw/zinc/71/00/71/379710071.db2.gz PFADKQKDCLLDHZ-PBWFPOADSA-N 2 1 294.826 3.103 20 10 CGCDMP C[NH+](Cc1cccc(Cl)c1[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377627347 379710077 /nfs/dbraw/zinc/71/00/77/379710077.db2.gz PFADKQKDCLLDHZ-PBWFPOADSA-N 2 1 294.826 3.103 20 10 CGCDMP C[NH+](Cc1cccc(Cl)c1[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377627347 379710080 /nfs/dbraw/zinc/71/00/80/379710080.db2.gz PFADKQKDCLLDHZ-PBWFPOADSA-N 2 1 294.826 3.103 20 10 CGCDMP CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(Cl)c1[O-])C2 ZINC000377627347 379710085 /nfs/dbraw/zinc/71/00/85/379710085.db2.gz PFADKQKDCLLDHZ-PBWFPOADSA-N 2 1 294.826 3.103 20 10 CGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185346385 262051727 /nfs/dbraw/zinc/05/17/27/262051727.db2.gz CLSVSZDIUZRECC-KBPBESRZSA-N 2 1 287.407 3.192 20 10 CGCDMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C)cc1O ZINC000280156357 522558744 /nfs/dbraw/zinc/55/87/44/522558744.db2.gz QLIPJKLLVVETNW-KRWDZBQOSA-N 2 1 288.435 3.368 20 10 CGCDMP CC[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000151671336 623555893 /nfs/dbraw/zinc/55/58/93/623555893.db2.gz SYSYBRMROLJYDE-WBVHZDCISA-N 2 1 289.467 3.278 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1O ZINC000796799578 629836096 /nfs/dbraw/zinc/83/60/96/629836096.db2.gz RHXRWRQONUUZFS-LZWOXQAQSA-N 2 1 294.414 3.445 20 10 CGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C)c1O ZINC000809749649 630798680 /nfs/dbraw/zinc/79/86/80/630798680.db2.gz IPZJFOLSUQHEHU-UHFFFAOYSA-N 2 1 276.424 3.008 20 10 CGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000816516462 632003097 /nfs/dbraw/zinc/00/30/97/632003097.db2.gz GLZXZNHYSJJXEA-HNNXBMFYSA-N 2 1 298.430 3.319 20 10 CGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516462 632003106 /nfs/dbraw/zinc/00/31/06/632003106.db2.gz GLZXZNHYSJJXEA-HNNXBMFYSA-N 2 1 298.430 3.319 20 10 CGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516462 632003116 /nfs/dbraw/zinc/00/31/16/632003116.db2.gz GLZXZNHYSJJXEA-HNNXBMFYSA-N 2 1 298.430 3.319 20 10 CGCDMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1O ZINC000817938205 632237355 /nfs/dbraw/zinc/23/73/55/632237355.db2.gz GUHKCQFMTBNTIB-AWEZNQCLSA-N 2 1 280.387 3.234 20 10 CGCDMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)cc1O ZINC000817963520 632258620 /nfs/dbraw/zinc/25/86/20/632258620.db2.gz TWQIZQRAXTYSOW-NWDGAFQWSA-N 2 1 288.366 3.402 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817963191 632259232 /nfs/dbraw/zinc/25/92/32/632259232.db2.gz SDICMHIEJTZTEI-DMDPSCGWSA-N 2 1 280.387 3.187 20 10 CGCDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877020305 634952373 /nfs/dbraw/zinc/95/23/73/634952373.db2.gz ONZILFXJCBLPMJ-UHFFFAOYSA-N 2 1 298.430 3.442 20 10 CGCDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916916 635082983 /nfs/dbraw/zinc/08/29/83/635082983.db2.gz NUUQOSSKFSYQLM-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916916 635082984 /nfs/dbraw/zinc/08/29/84/635082984.db2.gz NUUQOSSKFSYQLM-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916916 635082988 /nfs/dbraw/zinc/08/29/88/635082988.db2.gz NUUQOSSKFSYQLM-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840916916 635082989 /nfs/dbraw/zinc/08/29/89/635082989.db2.gz NUUQOSSKFSYQLM-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)CC[C@H]1[NH3+] ZINC000843053407 635551463 /nfs/dbraw/zinc/55/14/63/635551463.db2.gz LQPAAAMTJDSILW-FUHWJXTLSA-N 2 1 289.467 3.092 20 10 CGCDMP Cc1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1O ZINC000843108702 635560314 /nfs/dbraw/zinc/56/03/14/635560314.db2.gz PTCFPSQLXHMEJZ-UHFFFAOYSA-N 2 1 284.403 3.052 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(O)c1C ZINC000858490086 638740375 /nfs/dbraw/zinc/74/03/75/638740375.db2.gz BAWFSWNVJQZOFA-HZPDHXFCSA-N 2 1 290.451 3.392 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000247017391 640706989 /nfs/dbraw/zinc/70/69/89/640706989.db2.gz LNUIWBKHZZEBIQ-HZPDHXFCSA-N 2 1 289.467 3.135 20 10 CGCDMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000037319117 798866507 /nfs/dbraw/zinc/86/65/07/798866507.db2.gz RYNUDCOWRINHQP-UHFFFAOYSA-N 2 1 290.451 3.358 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(O)c1 ZINC000700818926 799880211 /nfs/dbraw/zinc/88/02/11/799880211.db2.gz PIQYSBOZIWMEMM-CABCVRRESA-N 2 1 276.424 3.083 20 10 CGCDMP CC[N@H+](Cc1ccccc1O)C1CC[NH+](C(C)C)CC1 ZINC001257222045 807064853 /nfs/dbraw/zinc/06/48/53/807064853.db2.gz QJPHUVRZLOZLEO-UHFFFAOYSA-N 2 1 276.424 3.087 20 10 CGCDMP CC[N@@H+](Cc1ccccc1O)C1CC[NH+](C(C)C)CC1 ZINC001257222045 807064861 /nfs/dbraw/zinc/06/48/61/807064861.db2.gz QJPHUVRZLOZLEO-UHFFFAOYSA-N 2 1 276.424 3.087 20 10 CGCDMP CC[N@H+](Cc1ccccc1O)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128346 808187157 /nfs/dbraw/zinc/18/71/57/808187157.db2.gz RGRYZRHNILXGLL-FVQHAEBGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[N@@H+](Cc1ccccc1O)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128346 808187158 /nfs/dbraw/zinc/18/71/58/808187158.db2.gz RGRYZRHNILXGLL-FVQHAEBGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[NH+](Cc1ccccc1O)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128346 808187160 /nfs/dbraw/zinc/18/71/60/808187160.db2.gz RGRYZRHNILXGLL-FVQHAEBGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[NH+](Cc1ccccc1O)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128346 808187164 /nfs/dbraw/zinc/18/71/64/808187164.db2.gz RGRYZRHNILXGLL-FVQHAEBGSA-N 2 1 288.435 3.229 20 10 CGCDMP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC001205064144 812843504 /nfs/dbraw/zinc/84/35/04/812843504.db2.gz JQWVGMLHBYNFPL-LIRRHRJNSA-N 2 1 297.446 3.406 20 10 CGCDMP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC001205064144 812843512 /nfs/dbraw/zinc/84/35/12/812843512.db2.gz JQWVGMLHBYNFPL-LIRRHRJNSA-N 2 1 297.446 3.406 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001205082709 812853920 /nfs/dbraw/zinc/85/39/20/812853920.db2.gz ILCRGCCGNKGKRP-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001205082709 812853925 /nfs/dbraw/zinc/85/39/25/812853925.db2.gz ILCRGCCGNKGKRP-WFASDCNBSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H]1C[NH3+] ZINC001205306501 812943569 /nfs/dbraw/zinc/94/35/69/812943569.db2.gz WONKKIKTBVOXIF-UKRRQHHQSA-N 2 1 290.451 3.106 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206012220 813164756 /nfs/dbraw/zinc/16/47/56/813164756.db2.gz JDSRYARPESEJDO-CHWSQXEVSA-N 2 1 296.842 3.161 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206639567 813382291 /nfs/dbraw/zinc/38/22/91/813382291.db2.gz FDIOHVGITMRAQQ-AWEZNQCLSA-N 2 1 290.451 3.251 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(O)c1 ZINC001206639559 813382762 /nfs/dbraw/zinc/38/27/62/813382762.db2.gz DYIRCBNTBHDZQV-AWEZNQCLSA-N 2 1 290.451 3.251 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001207174026 813504307 /nfs/dbraw/zinc/50/43/07/813504307.db2.gz GNGJPDINTPVKGG-RDJZCZTQSA-N 2 1 288.435 3.042 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222353462 816417425 /nfs/dbraw/zinc/41/74/25/816417425.db2.gz BKXQLMGURADALO-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222353462 816417428 /nfs/dbraw/zinc/41/74/28/816417428.db2.gz BKXQLMGURADALO-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP CCc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001235180421 819026645 /nfs/dbraw/zinc/02/66/45/819026645.db2.gz XDOHHXUTCXIRSQ-SFHVURJKSA-N 2 1 288.435 3.063 20 10 CGCDMP CCc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001235180421 819026648 /nfs/dbraw/zinc/02/66/48/819026648.db2.gz XDOHHXUTCXIRSQ-SFHVURJKSA-N 2 1 288.435 3.063 20 10 CGCDMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235905034 819214458 /nfs/dbraw/zinc/21/44/58/819214458.db2.gz KNIKVALVXJDABW-YOEHRIQHSA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235905034 819214464 /nfs/dbraw/zinc/21/44/64/819214464.db2.gz KNIKVALVXJDABW-YOEHRIQHSA-N 2 1 296.414 3.371 20 10 CGCDMP Cc1c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1C ZINC001236214183 819375235 /nfs/dbraw/zinc/37/52/35/819375235.db2.gz COFMSAWJWMMJKP-WMZOPIPTSA-N 2 1 285.435 3.188 20 10 CGCDMP Cc1c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1C ZINC001236214183 819375240 /nfs/dbraw/zinc/37/52/40/819375240.db2.gz COFMSAWJWMMJKP-WMZOPIPTSA-N 2 1 285.435 3.188 20 10 CGCDMP [O-]c1cc(Cl)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599048 819548340 /nfs/dbraw/zinc/54/83/40/819548340.db2.gz OSYYUZVDKFQJSO-GFCCVEGCSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1cc(Cl)ccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599048 819548344 /nfs/dbraw/zinc/54/83/44/819548344.db2.gz OSYYUZVDKFQJSO-GFCCVEGCSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1cc(Cl)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599048 819548352 /nfs/dbraw/zinc/54/83/52/819548352.db2.gz OSYYUZVDKFQJSO-GFCCVEGCSA-N 2 1 294.826 3.010 20 10 CGCDMP C[NH+](C)C1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236831579 819611903 /nfs/dbraw/zinc/61/19/03/819611903.db2.gz ASWKJODPSBEXEV-UHFFFAOYSA-N 2 1 284.403 3.071 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237080733 819662012 /nfs/dbraw/zinc/66/20/12/819662012.db2.gz IIONAYZAEULOLN-SFHVURJKSA-N 2 1 290.451 3.251 20 10 CGCDMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC001326034895 934944625 /nfs/dbraw/zinc/94/46/25/934944625.db2.gz BEAWKYQKCBLNRN-NXEZZACHSA-N 2 1 290.329 3.060 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157460 935191202 /nfs/dbraw/zinc/19/12/02/935191202.db2.gz WZFQLPDIHVJSAT-GOEBONIOSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1O ZINC000375887848 379514207 /nfs/dbraw/zinc/51/42/07/379514207.db2.gz JUWAFARBXKMDFD-YCPHGPKFSA-N 2 1 292.398 3.199 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1O ZINC000375887848 379514214 /nfs/dbraw/zinc/51/42/14/379514214.db2.gz JUWAFARBXKMDFD-YCPHGPKFSA-N 2 1 292.398 3.199 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000289617852 525311057 /nfs/dbraw/zinc/31/10/57/525311057.db2.gz LKYNIMAQUUDGGH-SJPCQFCGSA-N 2 1 288.435 3.066 20 10 CGCDMP Cc1cc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000289617852 525311064 /nfs/dbraw/zinc/31/10/64/525311064.db2.gz LKYNIMAQUUDGGH-SJPCQFCGSA-N 2 1 288.435 3.066 20 10 CGCDMP Cc1cc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000289617852 525311073 /nfs/dbraw/zinc/31/10/73/525311073.db2.gz LKYNIMAQUUDGGH-SJPCQFCGSA-N 2 1 288.435 3.066 20 10 CGCDMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000839182921 626327051 /nfs/dbraw/zinc/32/70/51/626327051.db2.gz RTXWYXSZOYBTMU-HOCLYGCPSA-N 2 1 276.424 3.165 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1O ZINC000809735802 630795074 /nfs/dbraw/zinc/79/50/74/630795074.db2.gz UBJGWMNLNXXQFP-ZDUSSCGKSA-N 2 1 296.842 3.174 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000815560920 631795863 /nfs/dbraw/zinc/79/58/63/631795863.db2.gz UHQMCZWKBDYCLA-JYJNAYRXSA-N 2 1 288.435 3.286 20 10 CGCDMP Oc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2ccccc21 ZINC000816536337 632006084 /nfs/dbraw/zinc/00/60/84/632006084.db2.gz SJUWZUBIGZVWNV-IAGOWNOFSA-N 2 1 296.414 3.262 20 10 CGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1O ZINC000817958917 632254832 /nfs/dbraw/zinc/25/48/32/632254832.db2.gz MSMMQPAKDXRJON-DGCLKSJQSA-N 2 1 284.831 3.378 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000817961652 632257284 /nfs/dbraw/zinc/25/72/84/632257284.db2.gz BVHDCIJFYXURSD-KBPBESRZSA-N 2 1 264.413 3.177 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(O)c1C ZINC000817982007 632271100 /nfs/dbraw/zinc/27/11/00/632271100.db2.gz PCURCUILXSOYOX-CJNGLKHVSA-N 2 1 276.424 3.177 20 10 CGCDMP C[C@H]1CC2(C[N@H+]1Cc1c(O)cccc1Cl)CC[NH2+]CC2 ZINC000818431749 632318231 /nfs/dbraw/zinc/31/82/31/632318231.db2.gz SMMULGKWESLUQA-LBPRGKRZSA-N 2 1 294.826 3.010 20 10 CGCDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC000876769937 634896543 /nfs/dbraw/zinc/89/65/43/634896543.db2.gz DKHNZJCOQDXEKY-MRXNPFEDSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000844902866 635981302 /nfs/dbraw/zinc/98/13/02/635981302.db2.gz VCGYXRKQJQGHBT-KSSFIOAISA-N 2 1 289.467 3.010 20 10 CGCDMP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1c(O)cccc1F ZINC000886623816 637614171 /nfs/dbraw/zinc/61/41/71/637614171.db2.gz OXYBWCJFINAYHG-GFCCVEGCSA-N 2 1 280.387 3.056 20 10 CGCDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1c(O)cccc1F ZINC000886623816 637614175 /nfs/dbraw/zinc/61/41/75/637614175.db2.gz OXYBWCJFINAYHG-GFCCVEGCSA-N 2 1 280.387 3.056 20 10 CGCDMP CC[C@H](c1ccc(F)cc1O)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925760389 638600617 /nfs/dbraw/zinc/60/06/17/638600617.db2.gz QHWVFVBYEWCMEC-CQSZACIVSA-N 2 1 280.387 3.186 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392197342 799480911 /nfs/dbraw/zinc/48/09/11/799480911.db2.gz DZINHNAPYDUSTO-HIFRSBDPSA-N 2 1 286.419 3.100 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1O ZINC000700817660 799880852 /nfs/dbraw/zinc/88/08/52/799880852.db2.gz DWBIOAATVKASTB-GOEBONIOSA-N 2 1 276.424 3.165 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)ccc(C)c1O ZINC001140185397 804398200 /nfs/dbraw/zinc/39/82/00/804398200.db2.gz UPQJOYOKVCMQQF-UHFFFAOYSA-N 2 1 278.440 3.173 20 10 CGCDMP Cc1ccc(C)c(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1O ZINC001140184415 804399248 /nfs/dbraw/zinc/39/92/48/804399248.db2.gz SMKJTILBVBTZSU-UHFFFAOYSA-N 2 1 288.435 3.068 20 10 CGCDMP CN(C)c1ccc(C[N@@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC001204232980 812579969 /nfs/dbraw/zinc/57/99/69/812579969.db2.gz MLTOXPLVWMWYOY-UHFFFAOYSA-N 2 1 299.462 3.289 20 10 CGCDMP Cc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(O)c1 ZINC001206599345 813370658 /nfs/dbraw/zinc/37/06/58/813370658.db2.gz ROCMSWHIRTZVIR-MRXNPFEDSA-N 2 1 290.451 3.362 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210474063 814477769 /nfs/dbraw/zinc/47/77/69/814477769.db2.gz DCSOAUPVJHJEGW-OAHLLOKOSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210474063 814477773 /nfs/dbraw/zinc/47/77/73/814477773.db2.gz DCSOAUPVJHJEGW-OAHLLOKOSA-N 2 1 297.446 3.278 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222361351 816420061 /nfs/dbraw/zinc/42/00/61/816420061.db2.gz YTQUNJZMFGCFIG-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1cc2ccccc2cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222361351 816420064 /nfs/dbraw/zinc/42/00/64/816420064.db2.gz YTQUNJZMFGCFIG-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235244737 819046693 /nfs/dbraw/zinc/04/66/93/819046693.db2.gz IHPOACIIGLMOAL-CRAIPNDOSA-N 2 1 288.435 3.003 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235244737 819046696 /nfs/dbraw/zinc/04/66/96/819046696.db2.gz IHPOACIIGLMOAL-CRAIPNDOSA-N 2 1 288.435 3.003 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235254721 819052184 /nfs/dbraw/zinc/05/21/84/819052184.db2.gz KUBHIGBZNIUMDZ-WDSOQIARSA-N 2 1 295.430 3.016 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]2CC[NH3+])c1O ZINC001235925223 819225379 /nfs/dbraw/zinc/22/53/79/819225379.db2.gz FYOPNIJBRWMDPM-AWEZNQCLSA-N 2 1 276.424 3.003 20 10 CGCDMP C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205257 819367197 /nfs/dbraw/zinc/36/71/97/819367197.db2.gz CVQBWRBODFNEND-GOSISDBHSA-N 2 1 290.451 3.264 20 10 CGCDMP C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205257 819367202 /nfs/dbraw/zinc/36/72/02/819367202.db2.gz CVQBWRBODFNEND-GOSISDBHSA-N 2 1 290.451 3.264 20 10 CGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2c(C)cccc2O)CC1 ZINC001237494441 819764126 /nfs/dbraw/zinc/76/41/26/819764126.db2.gz IVEKDCNPYGCZCK-UHFFFAOYSA-N 2 1 290.451 3.397 20 10 CGCDMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC001326034898 928265743 /nfs/dbraw/zinc/26/57/43/928265743.db2.gz BEAWKYQKCBLNRN-ZJUUUORDSA-N 2 1 290.329 3.060 20 10 CGCDMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1O ZINC000294704632 372667305 /nfs/dbraw/zinc/66/73/05/372667305.db2.gz BMVUEEDPVCQUQV-HUORLRHWSA-N 2 1 274.408 3.058 20 10 CGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185544913 374684791 /nfs/dbraw/zinc/68/47/91/374684791.db2.gz NNBNPRABBRUVAP-CQSZACIVSA-N 2 1 287.407 3.337 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C)cc1O ZINC000373561313 379297869 /nfs/dbraw/zinc/29/78/69/379297869.db2.gz MIGLQUSXDFWKAM-UXLLHSPISA-N 2 1 288.435 3.368 20 10 CGCDMP CCCC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1O ZINC000282526497 379938698 /nfs/dbraw/zinc/93/86/98/379938698.db2.gz UMFQBUOENILBGL-UHFFFAOYSA-N 2 1 287.407 3.199 20 10 CGCDMP CCCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1O ZINC000282526497 379938703 /nfs/dbraw/zinc/93/87/03/379938703.db2.gz UMFQBUOENILBGL-UHFFFAOYSA-N 2 1 287.407 3.199 20 10 CGCDMP C[N@@H+](CCC[NH2+]Cc1ccccc1O)C1CCCCC1 ZINC000037901087 260119791 /nfs/dbraw/zinc/11/97/91/260119791.db2.gz KNLCRKKKQYDETO-UHFFFAOYSA-N 2 1 276.424 3.136 20 10 CGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090721004 260261798 /nfs/dbraw/zinc/26/17/98/260261798.db2.gz GPWNXEVIKDWOPK-WBVHZDCISA-N 2 1 289.467 3.105 20 10 CGCDMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1O ZINC000037140876 522564452 /nfs/dbraw/zinc/56/44/52/522564452.db2.gz QZPSIFBLCRHIQX-INIZCTEOSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1O ZINC000280011062 522632821 /nfs/dbraw/zinc/63/28/21/522632821.db2.gz GRTHFTUIVGWWEJ-PBHICJAKSA-N 2 1 288.435 3.226 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(C)cc1O ZINC000279964163 522636013 /nfs/dbraw/zinc/63/60/13/522636013.db2.gz CNXOAGDRQPUQBI-ZBFHGGJFSA-N 2 1 299.418 3.200 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716391 619099054 /nfs/dbraw/zinc/09/90/54/619099054.db2.gz VREXBFHDFLBGED-ZBFHGGJFSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716391 619099056 /nfs/dbraw/zinc/09/90/56/619099056.db2.gz VREXBFHDFLBGED-ZBFHGGJFSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2O)C[C@H]1C ZINC000775716391 619099058 /nfs/dbraw/zinc/09/90/58/619099058.db2.gz VREXBFHDFLBGED-ZBFHGGJFSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000754974969 626594860 /nfs/dbraw/zinc/59/48/60/626594860.db2.gz AUULJCCFLRPLHJ-UHFFFAOYSA-N 2 1 291.483 3.306 20 10 CGCDMP Cc1cc(O)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000862482555 629386545 /nfs/dbraw/zinc/38/65/45/629386545.db2.gz JNPCHUYZNUJEBX-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP C[NH+](C)CCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809729980 630795038 /nfs/dbraw/zinc/79/50/38/630795038.db2.gz VRZZFPLBFNCWOX-UHFFFAOYSA-N 2 1 298.430 3.443 20 10 CGCDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2O)CCN1C ZINC000816514795 631999724 /nfs/dbraw/zinc/99/97/24/631999724.db2.gz HSENTTWRGDGLOQ-PBHICJAKSA-N 2 1 298.430 3.460 20 10 CGCDMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(C)cc1O ZINC000817959772 632254620 /nfs/dbraw/zinc/25/46/20/632254620.db2.gz UVVNLDZKFOUWQL-UKRRQHHQSA-N 2 1 264.413 3.115 20 10 CGCDMP CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817980637 632271274 /nfs/dbraw/zinc/27/12/74/632271274.db2.gz LZOJEGNJXGFBGO-DZGCQCFKSA-N 2 1 280.387 3.104 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000846179221 636154531 /nfs/dbraw/zinc/15/45/31/636154531.db2.gz YZBCHVBVBHWTGB-OAHLLOKOSA-N 2 1 278.440 3.329 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(O)c1 ZINC000834909282 634284357 /nfs/dbraw/zinc/28/43/57/634284357.db2.gz QJICTKIKALJFLZ-AWEZNQCLSA-N 2 1 276.424 3.226 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231277 634293419 /nfs/dbraw/zinc/29/34/19/634293419.db2.gz CBGXKUUXUZRAKG-UHFFFAOYSA-N 2 1 277.456 3.012 20 10 CGCDMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1O ZINC000848888787 636676545 /nfs/dbraw/zinc/67/65/45/636676545.db2.gz ZILIFZRUXFZPNY-YOEHRIQHSA-N 2 1 290.451 3.117 20 10 CGCDMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1O ZINC000848888787 636676547 /nfs/dbraw/zinc/67/65/47/636676547.db2.gz ZILIFZRUXFZPNY-YOEHRIQHSA-N 2 1 290.451 3.117 20 10 CGCDMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1O ZINC000848888787 636676549 /nfs/dbraw/zinc/67/65/49/636676549.db2.gz ZILIFZRUXFZPNY-YOEHRIQHSA-N 2 1 290.451 3.117 20 10 CGCDMP CCc1cccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1O ZINC000848919442 636691392 /nfs/dbraw/zinc/69/13/92/636691392.db2.gz LDHBAJHUAAEPOE-UHFFFAOYSA-N 2 1 278.440 3.022 20 10 CGCDMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Cl)c(Cl)cc1O ZINC000925738117 638590451 /nfs/dbraw/zinc/59/04/51/638590451.db2.gz OBGOGMAZKDLLJG-QMMMGPOBSA-N 2 1 291.222 3.477 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000700818078 799880181 /nfs/dbraw/zinc/88/01/81/799880181.db2.gz JJJNAWABHYASGL-GJZGRUSLSA-N 2 1 276.424 3.083 20 10 CGCDMP CCCCC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253169 804170030 /nfs/dbraw/zinc/17/00/30/804170030.db2.gz OKDYZZOLIYLSFT-UHFFFAOYSA-N 2 1 294.439 3.084 20 10 CGCDMP Cc1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1O ZINC001276080877 808987425 /nfs/dbraw/zinc/98/74/25/808987425.db2.gz WZCUMESLRFEIFW-GOSISDBHSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1O ZINC001276080877 808987429 /nfs/dbraw/zinc/98/74/29/808987429.db2.gz WZCUMESLRFEIFW-GOSISDBHSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1O ZINC001276080877 808987432 /nfs/dbraw/zinc/98/74/32/808987432.db2.gz WZCUMESLRFEIFW-GOSISDBHSA-N 2 1 288.435 3.008 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205903570 813125752 /nfs/dbraw/zinc/12/57/52/813125752.db2.gz QCYYFLAXWUKUFE-NVXWUHKLSA-N 2 1 289.467 3.092 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206012222 813165254 /nfs/dbraw/zinc/16/52/54/813165254.db2.gz JDSRYARPESEJDO-OLZOCXBDSA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCC[C@H]1C[NH3+] ZINC001206014528 813165934 /nfs/dbraw/zinc/16/59/34/813165934.db2.gz XFAWWRQGKYMUJB-ZBFHGGJFSA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC[C@H]1C[NH3+] ZINC001206021808 813169032 /nfs/dbraw/zinc/16/90/32/813169032.db2.gz BDGQDNVPWTTYJQ-YOEHRIQHSA-N 2 1 298.430 3.352 20 10 CGCDMP Cc1c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001206616819 813375822 /nfs/dbraw/zinc/37/58/22/813375822.db2.gz QTDSTRRRPRMVOA-OAHLLOKOSA-N 2 1 285.435 3.048 20 10 CGCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC12CCCCC2 ZINC001222401472 816433649 /nfs/dbraw/zinc/43/36/49/816433649.db2.gz TUPOUQJRHFEGRE-UHFFFAOYSA-N 2 1 299.462 3.005 20 10 CGCDMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(Cl)cc(C)c2O)CC1 ZINC001236216021 819380499 /nfs/dbraw/zinc/38/04/99/819380499.db2.gz VSFVXJZVZRRFLE-UHFFFAOYSA-N 2 1 296.842 3.316 20 10 CGCDMP C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217885 819383900 /nfs/dbraw/zinc/38/39/00/819383900.db2.gz QQSFYDILULPRSR-JKSUJKDBSA-N 2 1 290.451 3.391 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236470751 819491155 /nfs/dbraw/zinc/49/11/55/819491155.db2.gz ORCXPHJRQCKWMY-QGZVFWFLSA-N 2 1 290.451 3.478 20 10 CGCDMP CC(C)c1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236470751 819491157 /nfs/dbraw/zinc/49/11/57/819491157.db2.gz ORCXPHJRQCKWMY-QGZVFWFLSA-N 2 1 290.451 3.478 20 10 CGCDMP Cc1cc(C)c(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236473300 819492134 /nfs/dbraw/zinc/49/21/34/819492134.db2.gz FQXGIVUJKMRYCO-MRXNPFEDSA-N 2 1 290.451 3.219 20 10 CGCDMP CC(C)c1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(O)c1 ZINC001237048719 819652336 /nfs/dbraw/zinc/65/23/36/819652336.db2.gz WBVCYRISALXEFZ-UHFFFAOYSA-N 2 1 276.424 3.042 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(O)c1 ZINC000294436773 372654972 /nfs/dbraw/zinc/65/49/72/372654972.db2.gz VBIGSIBCWOODKL-HUUCEWRRSA-N 2 1 299.418 3.119 20 10 CGCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2ccccc2c1O ZINC000273534382 378752200 /nfs/dbraw/zinc/75/22/00/378752200.db2.gz WZCXULGNYIILBD-AWEZNQCLSA-N 2 1 296.414 3.458 20 10 CGCDMP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1O ZINC000278590675 525323991 /nfs/dbraw/zinc/32/39/91/525323991.db2.gz YVOKVOSLZBGBQQ-LBPRGKRZSA-N 2 1 292.398 3.056 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959937 621837580 /nfs/dbraw/zinc/83/75/80/621837580.db2.gz SGZHRIUDPZZYCX-INIZCTEOSA-N 2 1 294.826 3.011 20 10 CGCDMP CCC1([NH3+])CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000903947577 621840525 /nfs/dbraw/zinc/84/05/25/621840525.db2.gz BIUANJAAJKKBBW-UHFFFAOYSA-N 2 1 282.815 3.057 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756396287 626700689 /nfs/dbraw/zinc/70/06/89/626700689.db2.gz JWBQSLVSTNHJHT-GXTWGEPZSA-N 2 1 294.414 3.400 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756396289 626700901 /nfs/dbraw/zinc/70/09/01/626700901.db2.gz JWBQSLVSTNHJHT-OCCSQVGLSA-N 2 1 294.414 3.400 20 10 CGCDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000863542983 629602395 /nfs/dbraw/zinc/60/23/95/629602395.db2.gz JDIQSDFXGRRUKT-OAUYIBNBSA-N 2 1 288.435 3.062 20 10 CGCDMP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1O ZINC000796675977 629813904 /nfs/dbraw/zinc/81/39/04/629813904.db2.gz ONKGRGXWRLDYFJ-HNNXBMFYSA-N 2 1 280.387 3.058 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815553668 631793548 /nfs/dbraw/zinc/79/35/48/631793548.db2.gz GUELYCVHQNRCPH-CQSZACIVSA-N 2 1 276.424 3.144 20 10 CGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000816516463 632002427 /nfs/dbraw/zinc/00/24/27/632002427.db2.gz GLZXZNHYSJJXEA-OAHLLOKOSA-N 2 1 298.430 3.319 20 10 CGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516463 632002433 /nfs/dbraw/zinc/00/24/33/632002433.db2.gz GLZXZNHYSJJXEA-OAHLLOKOSA-N 2 1 298.430 3.319 20 10 CGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516463 632002440 /nfs/dbraw/zinc/00/24/40/632002440.db2.gz GLZXZNHYSJJXEA-OAHLLOKOSA-N 2 1 298.430 3.319 20 10 CGCDMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960593 632255801 /nfs/dbraw/zinc/25/58/01/632255801.db2.gz OAPNFNNBXFGDMZ-KBXCAEBGSA-N 2 1 287.451 3.065 20 10 CGCDMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000817977446 632268488 /nfs/dbraw/zinc/26/84/88/632268488.db2.gz KLKSMDQDOMKAHJ-UWVGGRQHSA-N 2 1 290.329 3.189 20 10 CGCDMP CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817980642 632271893 /nfs/dbraw/zinc/27/18/93/632271893.db2.gz LZOJEGNJXGFBGO-UKRRQHHQSA-N 2 1 280.387 3.104 20 10 CGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000872723787 634196242 /nfs/dbraw/zinc/19/62/42/634196242.db2.gz BQHKXJUWVSYAEE-QAPCUYQASA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000872723787 634196247 /nfs/dbraw/zinc/19/62/47/634196247.db2.gz BQHKXJUWVSYAEE-QAPCUYQASA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000872723787 634196251 /nfs/dbraw/zinc/19/62/51/634196251.db2.gz BQHKXJUWVSYAEE-QAPCUYQASA-N 2 1 296.414 3.071 20 10 CGCDMP Cc1cccc(O)c1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000876933164 634931411 /nfs/dbraw/zinc/93/14/11/634931411.db2.gz HJQJQGILKSTJII-INIZCTEOSA-N 2 1 290.451 3.445 20 10 CGCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000841060632 635116765 /nfs/dbraw/zinc/11/67/65/635116765.db2.gz OLZFZWQECDGEOE-MRXNPFEDSA-N 2 1 297.446 3.150 20 10 CGCDMP CC(C)C[N@H+](Cc1ccccc1O)CC1CC[NH+](C)CC1 ZINC000877767883 635194567 /nfs/dbraw/zinc/19/45/67/635194567.db2.gz XZEBDPUPSRAJIF-UHFFFAOYSA-N 2 1 290.451 3.192 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000843047380 635549469 /nfs/dbraw/zinc/54/94/69/635549469.db2.gz SQAUVGSDRIDDMZ-YIONKMFJSA-N 2 1 294.826 3.069 20 10 CGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)CC[C@@H]1[NH3+] ZINC000843053406 635551889 /nfs/dbraw/zinc/55/18/89/635551889.db2.gz LQPAAAMTJDSILW-AEFFLSMTSA-N 2 1 289.467 3.092 20 10 CGCDMP CCc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1O ZINC000848904832 636683406 /nfs/dbraw/zinc/68/34/06/636683406.db2.gz BSXWBVAFPHFJQD-UHFFFAOYSA-N 2 1 288.435 3.015 20 10 CGCDMP CC[NH+]1CCC(CC[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886532866 637558887 /nfs/dbraw/zinc/55/88/87/637558887.db2.gz QBSAQCSUYHDAIC-CYBMUJFWSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[N@@H+](Cc1ccccc1O)C1CC[NH+](C(C)(C)C)CC1 ZINC001256575678 806921001 /nfs/dbraw/zinc/92/10/01/806921001.db2.gz UAZZLONFCVZWEJ-UHFFFAOYSA-N 2 1 290.451 3.477 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001117759909 802489057 /nfs/dbraw/zinc/48/90/57/802489057.db2.gz GBAHMKSHCMBGDE-HNNXBMFYSA-N 2 1 298.430 3.367 20 10 CGCDMP CC[NH+]1CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001169233080 807611555 /nfs/dbraw/zinc/61/15/55/807611555.db2.gz JREFBUDHWZXIRG-UHFFFAOYSA-N 2 1 284.403 3.119 20 10 CGCDMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1O ZINC001182714934 810121350 /nfs/dbraw/zinc/12/13/50/810121350.db2.gz ONIYZZKQHUGRNN-UHFFFAOYSA-N 2 1 284.831 3.113 20 10 CGCDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1O ZINC001182714934 810121351 /nfs/dbraw/zinc/12/13/51/810121351.db2.gz ONIYZZKQHUGRNN-UHFFFAOYSA-N 2 1 284.831 3.113 20 10 CGCDMP CCC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H](C)CC ZINC001204630625 812694982 /nfs/dbraw/zinc/69/49/82/812694982.db2.gz PTOHEPWKNTVJPG-INIZCTEOSA-N 2 1 289.467 3.107 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@@H]1C[NH3+] ZINC001205316473 812949716 /nfs/dbraw/zinc/94/97/16/812949716.db2.gz JHHKKLYXZXIVKI-ZFWWWQNUSA-N 2 1 290.451 3.106 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1O ZINC001205651910 813042474 /nfs/dbraw/zinc/04/24/74/813042474.db2.gz LPWTXCRSQWCKDV-DGCLKSJQSA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1C[NH3+] ZINC001205651522 813043268 /nfs/dbraw/zinc/04/32/68/813043268.db2.gz GDIWXDIYNVPYBG-RHSMWYFYSA-N 2 1 298.430 3.352 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206606094 813371981 /nfs/dbraw/zinc/37/19/81/813371981.db2.gz CZCFIPAJDIMDMV-QGZVFWFLSA-N 2 1 289.467 3.094 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206768016 813431068 /nfs/dbraw/zinc/43/10/68/813431068.db2.gz GSKGFMQOSJQGDK-DOTOQJQBSA-N 2 1 289.467 3.092 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001207174024 813504089 /nfs/dbraw/zinc/50/40/89/813504089.db2.gz GNGJPDINTPVKGG-NVXWUHKLSA-N 2 1 288.435 3.042 20 10 CGCDMP Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272267 816392704 /nfs/dbraw/zinc/39/27/04/816392704.db2.gz PPASEAAZWOMVKC-INIZCTEOSA-N 2 1 294.826 3.011 20 10 CGCDMP Oc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272267 816392709 /nfs/dbraw/zinc/39/27/09/816392709.db2.gz PPASEAAZWOMVKC-INIZCTEOSA-N 2 1 294.826 3.011 20 10 CGCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc2ccccc2cc1O ZINC001235717075 819150755 /nfs/dbraw/zinc/15/07/55/819150755.db2.gz CNLVVVMTLGXVGB-UHFFFAOYSA-N 2 1 298.430 3.367 20 10 CGCDMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235905022 819215033 /nfs/dbraw/zinc/21/50/33/819215033.db2.gz KNIKVALVXJDABW-PBHICJAKSA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001235905022 819215040 /nfs/dbraw/zinc/21/50/40/819215040.db2.gz KNIKVALVXJDABW-PBHICJAKSA-N 2 1 296.414 3.371 20 10 CGCDMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220299 819385439 /nfs/dbraw/zinc/38/54/39/819385439.db2.gz YXABMLBQQXPMJR-HZPDHXFCSA-N 2 1 290.451 3.391 20 10 CGCDMP Nc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236377188 819442714 /nfs/dbraw/zinc/44/27/14/819442714.db2.gz XVGGOXOWNAIPGD-INIZCTEOSA-N 2 1 287.451 3.013 20 10 CGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)C)cc1O ZINC001237056399 819655161 /nfs/dbraw/zinc/65/51/61/819655161.db2.gz YNMUKHUWFRYXAO-UHFFFAOYSA-N 2 1 278.440 3.289 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237410529 819746694 /nfs/dbraw/zinc/74/66/94/819746694.db2.gz DTFPDEOBFDQBHG-RDJZCZTQSA-N 2 1 288.435 3.090 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC001462190096 937624031 /nfs/dbraw/zinc/62/40/31/937624031.db2.gz JYIBLOBAORRWLS-HNNXBMFYSA-N 2 1 290.451 3.336 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC001325339883 934905429 /nfs/dbraw/zinc/90/54/29/934905429.db2.gz LOKVRBCEYZZETB-HUUCEWRRSA-N 2 1 276.424 3.083 20 10 CGCDMP C[C@H]([NH2+]CCCC[NH3+])c1cc(Cl)c(Cl)cc1O ZINC001329022034 935177483 /nfs/dbraw/zinc/17/74/83/935177483.db2.gz CGACXFVQPYWGHN-QMMMGPOBSA-N 2 1 277.195 3.089 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC001337784531 936288493 /nfs/dbraw/zinc/28/84/93/936288493.db2.gz BXBQUWCYADJXSK-CHWSQXEVSA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1cc(C)c(CN2CCCc3cc(C[NH3+])ccc32)c(C)[nH+]1 ZINC001579576388 962641435 /nfs/dbraw/zinc/64/14/35/962641435.db2.gz NEWVPYHOOBHSOA-UHFFFAOYSA-N 2 1 295.430 3.418 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000298151511 373289969 /nfs/dbraw/zinc/28/99/69/373289969.db2.gz AZDWPFNKQYNEGS-UHFFFAOYSA-N 2 1 290.451 3.314 20 10 CGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000179797990 373920686 /nfs/dbraw/zinc/92/06/86/373920686.db2.gz HHDDICIDFPQXQN-UHFFFAOYSA-N 2 1 296.842 3.352 20 10 CGCDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000271198924 378479383 /nfs/dbraw/zinc/47/93/83/378479383.db2.gz VSRKLKJGKAUEGB-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000271198924 378479393 /nfs/dbraw/zinc/47/93/93/378479393.db2.gz VSRKLKJGKAUEGB-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271198924 378479401 /nfs/dbraw/zinc/47/94/01/378479401.db2.gz VSRKLKJGKAUEGB-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271198924 378479406 /nfs/dbraw/zinc/47/94/06/378479406.db2.gz VSRKLKJGKAUEGB-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000283936448 380107273 /nfs/dbraw/zinc/10/72/73/380107273.db2.gz FFSQVAASHHQNOI-HUUCEWRRSA-N 2 1 288.435 3.144 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000093638973 392239459 /nfs/dbraw/zinc/23/94/59/392239459.db2.gz CPRLMNAQQJONDA-WBVHZDCISA-N 2 1 290.451 3.171 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000093638973 392239461 /nfs/dbraw/zinc/23/94/61/392239461.db2.gz CPRLMNAQQJONDA-WBVHZDCISA-N 2 1 290.451 3.171 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000093638973 392239462 /nfs/dbraw/zinc/23/94/62/392239462.db2.gz CPRLMNAQQJONDA-WBVHZDCISA-N 2 1 290.451 3.171 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(O)c1 ZINC000230658218 333319808 /nfs/dbraw/zinc/31/98/08/333319808.db2.gz RWPMOWNLMIZOGP-AWEZNQCLSA-N 2 1 264.413 3.082 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000290343740 524862391 /nfs/dbraw/zinc/86/23/91/524862391.db2.gz FQORHXONPRIIBE-DOMZBBRYSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000290343740 524862396 /nfs/dbraw/zinc/86/23/96/524862396.db2.gz FQORHXONPRIIBE-DOMZBBRYSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290343740 524862405 /nfs/dbraw/zinc/86/24/05/524862405.db2.gz FQORHXONPRIIBE-DOMZBBRYSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290343740 524862415 /nfs/dbraw/zinc/86/24/15/524862415.db2.gz FQORHXONPRIIBE-DOMZBBRYSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1O ZINC000895683566 619872786 /nfs/dbraw/zinc/87/27/86/619872786.db2.gz OFZDZUJCXPITHB-UHFFFAOYSA-N 2 1 290.451 3.399 20 10 CGCDMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743950 620345149 /nfs/dbraw/zinc/34/51/49/620345149.db2.gz DMJUEDDIKCGPQP-NEPJUHHUSA-N 2 1 282.815 3.038 20 10 CGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743950 620345153 /nfs/dbraw/zinc/34/51/53/620345153.db2.gz DMJUEDDIKCGPQP-NEPJUHHUSA-N 2 1 282.815 3.038 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000796693790 629816057 /nfs/dbraw/zinc/81/60/57/629816057.db2.gz JGKZOBNLFUMFCJ-CJNGLKHVSA-N 2 1 294.414 3.304 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817949895 632246399 /nfs/dbraw/zinc/24/63/99/632246399.db2.gz OUWNPXKGBLDDKS-BBRMVZONSA-N 2 1 288.435 3.064 20 10 CGCDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817958377 632253504 /nfs/dbraw/zinc/25/35/04/632253504.db2.gz IYNCQZDLXZZGTG-DMDPSCGWSA-N 2 1 280.387 3.043 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000817962524 632257816 /nfs/dbraw/zinc/25/78/16/632257816.db2.gz JNWNHIIRVRYFCZ-NVXWUHKLSA-N 2 1 277.456 3.311 20 10 CGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000818431462 632318379 /nfs/dbraw/zinc/31/83/79/632318379.db2.gz NJEMQTQJPASMJS-HZPDHXFCSA-N 2 1 293.430 3.031 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000834909261 634284507 /nfs/dbraw/zinc/28/45/07/634284507.db2.gz PYCGRLANLBYWMY-AWEZNQCLSA-N 2 1 276.424 3.226 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761190 634894116 /nfs/dbraw/zinc/89/41/16/634894116.db2.gz ZSLXKSYYEGXGCP-ZBFHGGJFSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761190 634894120 /nfs/dbraw/zinc/89/41/20/634894120.db2.gz ZSLXKSYYEGXGCP-ZBFHGGJFSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761190 634894123 /nfs/dbraw/zinc/89/41/23/634894123.db2.gz ZSLXKSYYEGXGCP-ZBFHGGJFSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000840941726 635088050 /nfs/dbraw/zinc/08/80/50/635088050.db2.gz JEWNHOZSJULGMJ-CYBMUJFWSA-N 2 1 296.842 3.270 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000840941726 635088053 /nfs/dbraw/zinc/08/80/53/635088053.db2.gz JEWNHOZSJULGMJ-CYBMUJFWSA-N 2 1 296.842 3.270 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1C ZINC000841039402 635111968 /nfs/dbraw/zinc/11/19/68/635111968.db2.gz NMGCWOFOGSPNBJ-INIZCTEOSA-N 2 1 276.424 3.006 20 10 CGCDMP [NH3+]CCC[C@@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000841086106 635119861 /nfs/dbraw/zinc/11/98/61/635119861.db2.gz CSYFCPGDLPERLJ-MRXNPFEDSA-N 2 1 288.366 3.101 20 10 CGCDMP CC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)cc1O ZINC000925842209 638630034 /nfs/dbraw/zinc/63/00/34/638630034.db2.gz YJMOXOIOYNZXCB-USXIJHARSA-N 2 1 292.398 3.104 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000858491662 638742780 /nfs/dbraw/zinc/74/27/80/638742780.db2.gz MTIKUDJLTKDUFD-STQMWFEESA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000858491662 638742785 /nfs/dbraw/zinc/74/27/85/638742785.db2.gz MTIKUDJLTKDUFD-STQMWFEESA-N 2 1 296.842 3.428 20 10 CGCDMP Oc1cc2ccccc2cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071181 806811354 /nfs/dbraw/zinc/81/13/54/806811354.db2.gz QCGYTULCCSJPSJ-UHFFFAOYSA-N 2 1 296.414 3.262 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001205083738 812852833 /nfs/dbraw/zinc/85/28/33/812852833.db2.gz YMXMUKYOEIANDP-YOEHRIQHSA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001205083738 812852843 /nfs/dbraw/zinc/85/28/43/812852843.db2.gz YMXMUKYOEIANDP-YOEHRIQHSA-N 2 1 296.414 3.371 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205263595 812920314 /nfs/dbraw/zinc/92/03/14/812920314.db2.gz AEQHTDIXKVVJNC-GOSISDBHSA-N 2 1 289.467 3.236 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805841 813086194 /nfs/dbraw/zinc/08/61/94/813086194.db2.gz SEDSTXGNDWANIM-CRAIPNDOSA-N 2 1 289.467 3.092 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805841 813086202 /nfs/dbraw/zinc/08/62/02/813086202.db2.gz SEDSTXGNDWANIM-CRAIPNDOSA-N 2 1 289.467 3.092 20 10 CGCDMP Cc1c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205814265 813090937 /nfs/dbraw/zinc/09/09/37/813090937.db2.gz BYCMBKQLHVRODL-DZGCQCFKSA-N 2 1 285.435 3.046 20 10 CGCDMP Cc1c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001205814265 813090946 /nfs/dbraw/zinc/09/09/46/813090946.db2.gz BYCMBKQLHVRODL-DZGCQCFKSA-N 2 1 285.435 3.046 20 10 CGCDMP Cc1c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c2ccccc2n1C ZINC001205902076 813125258 /nfs/dbraw/zinc/12/52/58/813125258.db2.gz HQUFBXUOOARFEE-DZGCQCFKSA-N 2 1 285.435 3.046 20 10 CGCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001205916594 813132781 /nfs/dbraw/zinc/13/27/81/813132781.db2.gz UQTLWTHGCUDWIN-HIFRSBDPSA-N 2 1 284.403 3.105 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c2ccccc2n1C ZINC001205996132 813156616 /nfs/dbraw/zinc/15/66/16/813156616.db2.gz UYVURVQWJOYLOZ-GOEBONIOSA-N 2 1 299.462 3.294 20 10 CGCDMP Cc1cc(C)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(O)c1 ZINC001206599344 813370707 /nfs/dbraw/zinc/37/07/07/813370707.db2.gz ROCMSWHIRTZVIR-INIZCTEOSA-N 2 1 290.451 3.362 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222236793 816381907 /nfs/dbraw/zinc/38/19/07/816381907.db2.gz BDIUTAORXKNIMY-LJQANCHMSA-N 2 1 299.462 3.005 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222236793 816381914 /nfs/dbraw/zinc/38/19/14/816381914.db2.gz BDIUTAORXKNIMY-LJQANCHMSA-N 2 1 299.462 3.005 20 10 CGCDMP CC(C)c1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222252726 816387510 /nfs/dbraw/zinc/38/75/10/816387510.db2.gz JPPFDLYJHHKWFS-GOSISDBHSA-N 2 1 288.435 3.234 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222252726 816387519 /nfs/dbraw/zinc/38/75/19/816387519.db2.gz JPPFDLYJHHKWFS-GOSISDBHSA-N 2 1 288.435 3.234 20 10 CGCDMP C[NH+](C)C1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233283688 818566696 /nfs/dbraw/zinc/56/66/96/818566696.db2.gz RLIWNRPQRWMKPO-UHFFFAOYSA-N 2 1 290.451 3.216 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235152243 819017712 /nfs/dbraw/zinc/01/77/12/819017712.db2.gz GCQRMUVEGYBWEX-KRWDZBQOSA-N 2 1 288.435 3.055 20 10 CGCDMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001235443387 819100367 /nfs/dbraw/zinc/10/03/67/819100367.db2.gz NCAWDSOOMIITMH-UHFFFAOYSA-N 2 1 284.831 3.124 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235724865 819153825 /nfs/dbraw/zinc/15/38/25/819153825.db2.gz KEFVEAHWTIXIGN-SFHVURJKSA-N 2 1 283.419 3.017 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235724865 819153826 /nfs/dbraw/zinc/15/38/26/819153826.db2.gz KEFVEAHWTIXIGN-SFHVURJKSA-N 2 1 283.419 3.017 20 10 CGCDMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235902870 819211691 /nfs/dbraw/zinc/21/16/91/819211691.db2.gz GWCLJASQRNDVBG-DOMZBBRYSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235902870 819211694 /nfs/dbraw/zinc/21/16/94/819211694.db2.gz GWCLJASQRNDVBG-DOMZBBRYSA-N 2 1 276.424 3.001 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1O ZINC001236212889 819374194 /nfs/dbraw/zinc/37/41/94/819374194.db2.gz AIDAMCXWINRQBP-KGLIPLIRSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1O ZINC001236212889 819374203 /nfs/dbraw/zinc/37/42/03/819374203.db2.gz AIDAMCXWINRQBP-KGLIPLIRSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236417750 819463702 /nfs/dbraw/zinc/46/37/02/819463702.db2.gz CXLCIWQBIXOIOE-VQIMIIECSA-N 2 1 297.446 3.406 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236417750 819463708 /nfs/dbraw/zinc/46/37/08/819463708.db2.gz CXLCIWQBIXOIOE-VQIMIIECSA-N 2 1 297.446 3.406 20 10 CGCDMP Cc1cccc(O)c1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236459547 819485699 /nfs/dbraw/zinc/48/56/99/819485699.db2.gz UMNYFBAACUUGLM-UHFFFAOYSA-N 2 1 290.451 3.301 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC001337784533 936288719 /nfs/dbraw/zinc/28/87/19/936288719.db2.gz BXBQUWCYADJXSK-OLZOCXBDSA-N 2 1 296.842 3.428 20 10 CGCDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183623334 374435067 /nfs/dbraw/zinc/43/50/67/374435067.db2.gz SGWLQLPWHGSIKO-JKSUJKDBSA-N 2 1 290.451 3.411 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(O)c1C ZINC000273440115 378746351 /nfs/dbraw/zinc/74/63/51/378746351.db2.gz YCESRJWEPVHWEZ-LSDHHAIUSA-N 2 1 288.435 3.144 20 10 CGCDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1O ZINC000272928416 378724265 /nfs/dbraw/zinc/72/42/65/378724265.db2.gz YZXDMYUWHQPYFG-CYBMUJFWSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000286373456 380205386 /nfs/dbraw/zinc/20/53/86/380205386.db2.gz ZRUBWGBWUJGREO-MRXNPFEDSA-N 2 1 294.414 3.304 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683776 392238919 /nfs/dbraw/zinc/23/89/19/392238919.db2.gz HYVLISBYDRGIEY-MRXNPFEDSA-N 2 1 288.435 3.008 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000093638975 392239560 /nfs/dbraw/zinc/23/95/60/392239560.db2.gz CPRLMNAQQJONDA-NVXWUHKLSA-N 2 1 290.451 3.171 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000093638975 392239561 /nfs/dbraw/zinc/23/95/61/392239561.db2.gz CPRLMNAQQJONDA-NVXWUHKLSA-N 2 1 290.451 3.171 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000093638975 392239562 /nfs/dbraw/zinc/23/95/62/392239562.db2.gz CPRLMNAQQJONDA-NVXWUHKLSA-N 2 1 290.451 3.171 20 10 CGCDMP CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H]1CCC[NH2+]1 ZINC000423089569 330169134 /nfs/dbraw/zinc/16/91/34/330169134.db2.gz VLJGMGMOXKQLBL-CVEARBPZSA-N 2 1 285.435 3.107 20 10 CGCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1O ZINC000248534768 334305200 /nfs/dbraw/zinc/30/52/00/334305200.db2.gz WGBVOZAPDMFQBF-HUUCEWRRSA-N 2 1 276.424 3.307 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469928 627557590 /nfs/dbraw/zinc/55/75/90/627557590.db2.gz HSHABHOMDALFDV-RDJZCZTQSA-N 2 1 290.451 3.314 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469928 627557591 /nfs/dbraw/zinc/55/75/91/627557591.db2.gz HSHABHOMDALFDV-RDJZCZTQSA-N 2 1 290.451 3.314 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469928 627557592 /nfs/dbraw/zinc/55/75/92/627557592.db2.gz HSHABHOMDALFDV-RDJZCZTQSA-N 2 1 290.451 3.314 20 10 CGCDMP CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775492294 628100094 /nfs/dbraw/zinc/10/00/94/628100094.db2.gz NBXHURXQTMWSHP-RISCZKNCSA-N 2 1 293.798 3.372 20 10 CGCDMP CCCC[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775639081 628118112 /nfs/dbraw/zinc/11/81/12/628118112.db2.gz NSIWSAFFYSQTFQ-UHFFFAOYSA-N 2 1 289.467 3.060 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000796693792 629816107 /nfs/dbraw/zinc/81/61/07/629816107.db2.gz JGKZOBNLFUMFCJ-CZUORRHYSA-N 2 1 294.414 3.304 20 10 CGCDMP CCCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000801599514 630347397 /nfs/dbraw/zinc/34/73/97/630347397.db2.gz RASQRRPQJFKVST-KRWDZBQOSA-N 2 1 290.451 3.479 20 10 CGCDMP CCCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000801599514 630347403 /nfs/dbraw/zinc/34/74/03/630347403.db2.gz RASQRRPQJFKVST-KRWDZBQOSA-N 2 1 290.451 3.479 20 10 CGCDMP CCCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000801599514 630347407 /nfs/dbraw/zinc/34/74/07/630347407.db2.gz RASQRRPQJFKVST-KRWDZBQOSA-N 2 1 290.451 3.479 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816532932 632005100 /nfs/dbraw/zinc/00/51/00/632005100.db2.gz CBVFFLPVELBAPY-UHFFFAOYSA-N 2 1 286.419 3.365 20 10 CGCDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1O ZINC000817958138 632253002 /nfs/dbraw/zinc/25/30/02/632253002.db2.gz IGTOJEPLUZOMKZ-HOTGVXAUSA-N 2 1 276.424 3.341 20 10 CGCDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982688 632272634 /nfs/dbraw/zinc/27/26/34/632272634.db2.gz VLYRMILYHXIJIJ-ROUUACIJSA-N 2 1 289.467 3.311 20 10 CGCDMP Cc1cc(O)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000825904001 633388110 /nfs/dbraw/zinc/38/81/10/633388110.db2.gz ZYDRMWAZCGHZAW-CYBMUJFWSA-N 2 1 296.842 3.174 20 10 CGCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000845997149 636127696 /nfs/dbraw/zinc/12/76/96/636127696.db2.gz VMMLXNCZSRVZSP-AWEZNQCLSA-N 2 1 294.439 3.029 20 10 CGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(CC)c2O)C1 ZINC000848889368 636676924 /nfs/dbraw/zinc/67/69/24/636676924.db2.gz JBPCKSLRXOKLNF-HNNXBMFYSA-N 2 1 290.451 3.118 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848889368 636676930 /nfs/dbraw/zinc/67/69/30/636676930.db2.gz JBPCKSLRXOKLNF-HNNXBMFYSA-N 2 1 290.451 3.118 20 10 CGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848889368 636676935 /nfs/dbraw/zinc/67/69/35/636676935.db2.gz JBPCKSLRXOKLNF-HNNXBMFYSA-N 2 1 290.451 3.118 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858138649 638640959 /nfs/dbraw/zinc/64/09/59/638640959.db2.gz GZRFCHCZXOGEFS-INIZCTEOSA-N 2 1 289.467 3.023 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(O)c1 ZINC000700818929 799879584 /nfs/dbraw/zinc/87/95/84/799879584.db2.gz PIQYSBOZIWMEMM-LSDHHAIUSA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000700818080 799879625 /nfs/dbraw/zinc/87/96/25/799879625.db2.gz JJJNAWABHYASGL-LSDHHAIUSA-N 2 1 276.424 3.083 20 10 CGCDMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC)Cc1ccccc1O ZINC001255968022 806801725 /nfs/dbraw/zinc/80/17/25/806801725.db2.gz VEJGMPDZBMZTLD-HNNXBMFYSA-N 2 1 278.440 3.335 20 10 CGCDMP Cc1ccc(O)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275311598 808928287 /nfs/dbraw/zinc/92/82/87/808928287.db2.gz GASIBKBTEUDZOE-SFHVURJKSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275311598 808928301 /nfs/dbraw/zinc/92/83/01/808928301.db2.gz GASIBKBTEUDZOE-SFHVURJKSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275311598 808928311 /nfs/dbraw/zinc/92/83/11/808928311.db2.gz GASIBKBTEUDZOE-SFHVURJKSA-N 2 1 288.435 3.008 20 10 CGCDMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001205332309 812959515 /nfs/dbraw/zinc/95/95/15/812959515.db2.gz OGPWSKRYPRFNEN-OAHLLOKOSA-N 2 1 296.414 3.243 20 10 CGCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001205913926 813131324 /nfs/dbraw/zinc/13/13/24/813131324.db2.gz KQSFGPDQEAOPND-UONOGXRCSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001206767897 813430595 /nfs/dbraw/zinc/43/05/95/813430595.db2.gz FYQDZIMFEUETTI-KBPBESRZSA-N 2 1 290.451 3.249 20 10 CGCDMP CC[N@@H+](Cc1ccccc1O)CC1(C[NH+](C)C)CCCC1 ZINC001208187763 813736863 /nfs/dbraw/zinc/73/68/63/813736863.db2.gz ORCFIRPZMIVPQJ-UHFFFAOYSA-N 2 1 290.451 3.336 20 10 CGCDMP C[N@H+](Cc1cccc(C(C)(C)C)c1O)C[C@H]1CCC[NH2+]C1 ZINC001235958204 819245872 /nfs/dbraw/zinc/24/58/72/819245872.db2.gz YRPGBQLKMNTREN-AWEZNQCLSA-N 2 1 290.451 3.121 20 10 CGCDMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236420769 819467180 /nfs/dbraw/zinc/46/71/80/819467180.db2.gz NOZLDOPNXTXKGQ-SWLSCSKDSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001236420769 819467183 /nfs/dbraw/zinc/46/71/83/819467183.db2.gz NOZLDOPNXTXKGQ-SWLSCSKDSA-N 2 1 276.424 3.001 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C[NH3+])CC(C)C ZINC001331837140 935412908 /nfs/dbraw/zinc/41/29/08/935412908.db2.gz ZPIKSSGMBCWJAN-MGPQQGTHSA-N 2 1 276.424 3.212 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC001575858994 962424057 /nfs/dbraw/zinc/42/40/57/962424057.db2.gz WDRLERMFBQVPJZ-BHYGNILZSA-N 2 1 288.435 3.075 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000185357999 374647203 /nfs/dbraw/zinc/64/72/03/374647203.db2.gz WHBODUXBWUDHCV-HOTGVXAUSA-N 2 1 290.451 3.472 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000035628921 172308235 /nfs/dbraw/zinc/30/82/35/172308235.db2.gz FQRGYQGTOVFQBS-CQSZACIVSA-N 2 1 276.424 3.224 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000280011101 519863882 /nfs/dbraw/zinc/86/38/82/519863882.db2.gz GRYYDKJIRKXZNE-WBVHZDCISA-N 2 1 290.451 3.473 20 10 CGCDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841039014 620516212 /nfs/dbraw/zinc/51/62/12/620516212.db2.gz XEUJGKCZZBMWIM-KRWDZBQOSA-N 2 1 289.467 3.140 20 10 CGCDMP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000902486616 621354241 /nfs/dbraw/zinc/35/42/41/621354241.db2.gz RCFNBWKWFJKPAL-IWSPIJDZSA-N 2 1 289.206 3.087 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000158180194 623011363 /nfs/dbraw/zinc/01/13/63/623011363.db2.gz LHADGTQBCDQMAF-QAPCUYQASA-N 2 1 289.467 3.135 20 10 CGCDMP CCC[N@@H+](CCC[NH+](CC)CC)Cc1ccccc1O ZINC000755043659 626597649 /nfs/dbraw/zinc/59/76/49/626597649.db2.gz ZXWCLLURUDESJT-UHFFFAOYSA-N 2 1 278.440 3.336 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000809730029 630794957 /nfs/dbraw/zinc/79/49/57/630794957.db2.gz XLSIBTQTAKCDEW-UHFFFAOYSA-N 2 1 295.446 3.055 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000809730029 630794960 /nfs/dbraw/zinc/79/49/60/630794960.db2.gz XLSIBTQTAKCDEW-UHFFFAOYSA-N 2 1 295.446 3.055 20 10 CGCDMP Oc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc2ccccc21 ZINC000816536338 632005655 /nfs/dbraw/zinc/00/56/55/632005655.db2.gz SJUWZUBIGZVWNV-IRXDYDNUSA-N 2 1 296.414 3.262 20 10 CGCDMP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000817943765 632241728 /nfs/dbraw/zinc/24/17/28/632241728.db2.gz SIQFWZPEPAKGJW-SNVBAGLBSA-N 2 1 290.329 3.061 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817963193 632258526 /nfs/dbraw/zinc/25/85/26/632258526.db2.gz SDICMHIEJTZTEI-NQBHXWOUSA-N 2 1 280.387 3.187 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000817962829 632259020 /nfs/dbraw/zinc/25/90/20/632259020.db2.gz LJGMYAHEBUVQOO-GDBMZVCRSA-N 2 1 277.456 3.311 20 10 CGCDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979001 632270457 /nfs/dbraw/zinc/27/04/57/632270457.db2.gz GIRAGFHXEPQERB-DZGCQCFKSA-N 2 1 293.430 3.204 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(O)c1C ZINC000817982011 632271996 /nfs/dbraw/zinc/27/19/96/632271996.db2.gz PCURCUILXSOYOX-XJKSGUPXSA-N 2 1 276.424 3.177 20 10 CGCDMP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817983904 632272890 /nfs/dbraw/zinc/27/28/90/632272890.db2.gz LCJIODJEOKTCJO-CJNGLKHVSA-N 2 1 288.435 3.064 20 10 CGCDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000834911432 634284923 /nfs/dbraw/zinc/28/49/23/634284923.db2.gz YYQJPXPFIDENTG-OAHLLOKOSA-N 2 1 289.467 3.278 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000843048159 635549480 /nfs/dbraw/zinc/54/94/80/635549480.db2.gz QJGYSSMCQMPQLG-IRXDYDNUSA-N 2 1 288.435 3.116 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000843048159 635549484 /nfs/dbraw/zinc/54/94/84/635549484.db2.gz QJGYSSMCQMPQLG-IRXDYDNUSA-N 2 1 288.435 3.116 20 10 CGCDMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000858490609 638740845 /nfs/dbraw/zinc/74/08/45/638740845.db2.gz KPASILMOAMVJRT-WBVHZDCISA-N 2 1 290.451 3.473 20 10 CGCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000387441873 799447076 /nfs/dbraw/zinc/44/70/76/799447076.db2.gz KCSROJAFEDMNIK-CQSZACIVSA-N 2 1 284.403 3.106 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001118122710 802527460 /nfs/dbraw/zinc/52/74/60/802527460.db2.gz ZRAYEVUDJZCINT-MGPQQGTHSA-N 2 1 276.424 3.356 20 10 CGCDMP CC[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140301860 804408670 /nfs/dbraw/zinc/40/86/70/804408670.db2.gz BQNRKDQCNIWBCO-INIZCTEOSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[C@H]1C[C@H]([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246919250 804600940 /nfs/dbraw/zinc/60/09/40/804600940.db2.gz GIVKUFBEMPDRFP-FUHWJXTLSA-N 2 1 289.467 3.105 20 10 CGCDMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1O ZINC001172105110 808177184 /nfs/dbraw/zinc/17/71/84/808177184.db2.gz GUNGJEUHPCLYJF-ZQDZILKHSA-N 2 1 274.408 3.058 20 10 CGCDMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1O ZINC001172105110 808177188 /nfs/dbraw/zinc/17/71/88/808177188.db2.gz GUNGJEUHPCLYJF-ZQDZILKHSA-N 2 1 274.408 3.058 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1O ZINC001206021717 813168851 /nfs/dbraw/zinc/16/88/51/813168851.db2.gz AULKEEXDAFCRNQ-CHWSQXEVSA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206563481 813355648 /nfs/dbraw/zinc/35/56/48/813355648.db2.gz DJYZASBYXQLDKY-LJQANCHMSA-N 2 1 298.430 3.496 20 10 CGCDMP CC(C)[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCC[NH2+]CC1 ZINC001206579931 813361310 /nfs/dbraw/zinc/36/13/10/813361310.db2.gz BGPAVOPDRABHSS-HNNXBMFYSA-N 2 1 296.842 3.398 20 10 CGCDMP CC(C)[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCC[NH2+]CC1 ZINC001206579931 813361315 /nfs/dbraw/zinc/36/13/15/813361315.db2.gz BGPAVOPDRABHSS-HNNXBMFYSA-N 2 1 296.842 3.398 20 10 CGCDMP Cc1ccc(C)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1O ZINC001206591753 813367305 /nfs/dbraw/zinc/36/73/05/813367305.db2.gz VXKFOIUWMRXVLR-INIZCTEOSA-N 2 1 290.451 3.362 20 10 CGCDMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676772 819136250 /nfs/dbraw/zinc/13/62/50/819136250.db2.gz UGICERGVWBBGLD-UHFFFAOYSA-N 2 1 278.440 3.073 20 10 CGCDMP C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215684 819381304 /nfs/dbraw/zinc/38/13/04/819381304.db2.gz IBRPQXABWZTIDP-DLBZAZTESA-N 2 1 284.403 3.247 20 10 CGCDMP C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217874 819384779 /nfs/dbraw/zinc/38/47/79/819384779.db2.gz QQSFYDILULPRSR-CVEARBPZSA-N 2 1 290.451 3.391 20 10 CGCDMP CC[N@H+](Cc1cccc(C(C)(C)C)c1O)C[C@H]1CC[NH2+]C1 ZINC001236409414 819456248 /nfs/dbraw/zinc/45/62/48/819456248.db2.gz UQQJWZSVUZVMRJ-AWEZNQCLSA-N 2 1 290.451 3.121 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(O)c1 ZINC001237083202 819663988 /nfs/dbraw/zinc/66/39/88/819663988.db2.gz XBGKBIKFBQLHGB-SFHVURJKSA-N 2 1 290.451 3.251 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(C)c1O ZINC001238067370 819922790 /nfs/dbraw/zinc/92/27/90/819922790.db2.gz OQRYVARLCOJLJX-UHFFFAOYSA-N 2 1 282.403 3.003 20 10 CGCDMP C[NH+](C)C1(C)CCC([NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001462513041 937646387 /nfs/dbraw/zinc/64/63/87/937646387.db2.gz BHEDKWSECNYKPJ-UHFFFAOYSA-N 2 1 298.377 3.023 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC001474567099 937867787 /nfs/dbraw/zinc/86/77/87/937867787.db2.gz XODFNLWUCHZKSN-UHFFFAOYSA-N 2 1 290.451 3.480 20 10 CGCDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(N)cc1 ZINC001576693223 962485002 /nfs/dbraw/zinc/48/50/02/962485002.db2.gz CAILHPZQMXAIDW-HNNXBMFYSA-N 2 1 275.440 3.013 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000185358035 374646393 /nfs/dbraw/zinc/64/63/93/374646393.db2.gz WHBODUXBWUDHCV-JKSUJKDBSA-N 2 1 290.451 3.472 20 10 CGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185545501 374685209 /nfs/dbraw/zinc/68/52/09/374685209.db2.gz TYLRMVRGORCXOH-GFCCVEGCSA-N 2 1 291.370 3.167 20 10 CGCDMP CN1CC[C@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)[C@@H]2C1 ZINC000272226323 378589206 /nfs/dbraw/zinc/58/92/06/378589206.db2.gz JFVRGMRDMYNWEH-MAUKXSAKSA-N 2 1 296.414 3.071 20 10 CGCDMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000094616972 519672560 /nfs/dbraw/zinc/67/25/60/519672560.db2.gz RLJUYRBNAOXTGJ-GFCCVEGCSA-N 2 1 280.387 3.055 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1O ZINC000157596784 522720562 /nfs/dbraw/zinc/72/05/62/522720562.db2.gz MRQNQKGSIPYRBT-FMKPAKJESA-N 2 1 274.408 3.060 20 10 CGCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856119 523994938 /nfs/dbraw/zinc/99/49/38/523994938.db2.gz IGKAFAAROGUVGI-IBGZPJMESA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856119 523994941 /nfs/dbraw/zinc/99/49/41/523994941.db2.gz IGKAFAAROGUVGI-IBGZPJMESA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000291856119 523994942 /nfs/dbraw/zinc/99/49/42/523994942.db2.gz IGKAFAAROGUVGI-IBGZPJMESA-N 2 1 296.414 3.073 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1O ZINC000841744136 620345854 /nfs/dbraw/zinc/34/58/54/620345854.db2.gz FIIYFVBTWHLNMT-YUTCNCBUSA-N 2 1 294.826 3.323 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1O ZINC000841744136 620345857 /nfs/dbraw/zinc/34/58/57/620345857.db2.gz FIIYFVBTWHLNMT-YUTCNCBUSA-N 2 1 294.826 3.323 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903441364 621750234 /nfs/dbraw/zinc/75/02/34/621750234.db2.gz PAPDWFKNGSKQOM-SJORKVTESA-N 2 1 289.467 3.092 20 10 CGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756430763 626705599 /nfs/dbraw/zinc/70/55/99/626705599.db2.gz KZQLGQMQKNSWMK-SCRDCRAPSA-N 2 1 292.398 3.011 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(O)c1C ZINC000756554046 626714570 /nfs/dbraw/zinc/71/45/70/626714570.db2.gz NQYLRSHTKCWGTA-HUUCEWRRSA-N 2 1 276.424 3.001 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000863540993 629602114 /nfs/dbraw/zinc/60/21/14/629602114.db2.gz FNBXCKSOWWCXPD-IRXDYDNUSA-N 2 1 287.451 3.078 20 10 CGCDMP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(F)cc1O ZINC000796748378 629825019 /nfs/dbraw/zinc/82/50/19/629825019.db2.gz UQDPHXUDLFMACQ-INIZCTEOSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1O ZINC000796799577 629836254 /nfs/dbraw/zinc/83/62/54/629836254.db2.gz RHXRWRQONUUZFS-FMKPAKJESA-N 2 1 294.414 3.445 20 10 CGCDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808685103 630664573 /nfs/dbraw/zinc/66/45/73/630664573.db2.gz AYAWMILXJCJSDN-LLVKDONJSA-N 2 1 293.798 3.210 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816536079 632005566 /nfs/dbraw/zinc/00/55/66/632005566.db2.gz LOSVEZHULBIFNF-UHFFFAOYSA-N 2 1 295.386 3.230 20 10 CGCDMP Oc1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc2ccccc21 ZINC000816535480 632006343 /nfs/dbraw/zinc/00/63/43/632006343.db2.gz PSSIPMRCZXKXLV-CQSZACIVSA-N 2 1 296.414 3.119 20 10 CGCDMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000817977448 632268780 /nfs/dbraw/zinc/26/87/80/632268780.db2.gz KLKSMDQDOMKAHJ-ZJUUUORDSA-N 2 1 290.329 3.189 20 10 CGCDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C)cc1O ZINC000817981407 632271966 /nfs/dbraw/zinc/27/19/66/632271966.db2.gz JAIHIJQRSXCSGN-HOTGVXAUSA-N 2 1 276.424 3.259 20 10 CGCDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000873222765 634291476 /nfs/dbraw/zinc/29/14/76/634291476.db2.gz BYHTXFAYBJZSEG-MRXNPFEDSA-N 2 1 296.842 3.243 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(O)c1C ZINC000840810071 635056057 /nfs/dbraw/zinc/05/60/57/635056057.db2.gz OJDQNXGYGFBEBU-HZPDHXFCSA-N 2 1 290.451 3.392 20 10 CGCDMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841746385 635222730 /nfs/dbraw/zinc/22/27/30/635222730.db2.gz FTKRZXYCUPCLLW-NSHDSACASA-N 2 1 282.815 3.038 20 10 CGCDMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000841758614 635232095 /nfs/dbraw/zinc/23/20/95/635232095.db2.gz UAEYIYPBZSNBLW-QWHCGFSZSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000841758614 635232098 /nfs/dbraw/zinc/23/20/98/635232098.db2.gz UAEYIYPBZSNBLW-QWHCGFSZSA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(O)c1 ZINC000700818928 799879726 /nfs/dbraw/zinc/87/97/26/799879726.db2.gz PIQYSBOZIWMEMM-HUUCEWRRSA-N 2 1 276.424 3.083 20 10 CGCDMP C[N@@H+](Cc1cccc(-n2ccnc2)c1)Cc1ccccc1O ZINC001141244997 804624287 /nfs/dbraw/zinc/62/42/87/804624287.db2.gz ZXNOLJAYHVCFCK-UHFFFAOYSA-N 2 1 293.370 3.210 20 10 CGCDMP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC001204925301 812777928 /nfs/dbraw/zinc/77/79/28/812777928.db2.gz PRVOPXTUNFXGLL-MRXNPFEDSA-N 2 1 297.446 3.219 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC001204925301 812777933 /nfs/dbraw/zinc/77/79/33/812777933.db2.gz PRVOPXTUNFXGLL-MRXNPFEDSA-N 2 1 297.446 3.219 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204946340 812791786 /nfs/dbraw/zinc/79/17/86/812791786.db2.gz NLCDKVKKTMUQRY-QGZVFWFLSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204946340 812791795 /nfs/dbraw/zinc/79/17/95/812791795.db2.gz NLCDKVKKTMUQRY-QGZVFWFLSA-N 2 1 276.424 3.003 20 10 CGCDMP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001205939612 813141407 /nfs/dbraw/zinc/14/14/07/813141407.db2.gz SMIXWMVCDBLLKS-QGZVFWFLSA-N 2 1 296.414 3.372 20 10 CGCDMP Cc1c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001206549812 813348256 /nfs/dbraw/zinc/34/82/56/813348256.db2.gz QBGOZYNLCFNBFB-LJQANCHMSA-N 2 1 299.462 3.438 20 10 CGCDMP Cc1cc(F)cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1O ZINC001206599893 813370480 /nfs/dbraw/zinc/37/04/80/813370480.db2.gz YKYWYEUKKXUIMD-MRXNPFEDSA-N 2 1 294.414 3.192 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001209519445 814073060 /nfs/dbraw/zinc/07/30/60/814073060.db2.gz URYJTRQPHSMAIQ-UHFFFAOYSA-N 2 1 299.462 3.478 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001209519445 814073068 /nfs/dbraw/zinc/07/30/68/814073068.db2.gz URYJTRQPHSMAIQ-UHFFFAOYSA-N 2 1 299.462 3.478 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222435863 816444773 /nfs/dbraw/zinc/44/47/73/816444773.db2.gz UDLZLCHQHFGTOC-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222435863 816444779 /nfs/dbraw/zinc/44/47/79/816444779.db2.gz UDLZLCHQHFGTOC-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1ccc2ccccc2c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001231589981 818129737 /nfs/dbraw/zinc/12/97/37/818129737.db2.gz WYTWZCZPQAJUJI-UHFFFAOYSA-N 2 1 296.414 3.216 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210476 819372510 /nfs/dbraw/zinc/37/25/10/819372510.db2.gz COSCRFBILVXSII-ROUUACIJSA-N 2 1 289.467 3.235 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210476 819372518 /nfs/dbraw/zinc/37/25/18/819372518.db2.gz COSCRFBILVXSII-ROUUACIJSA-N 2 1 289.467 3.235 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1O ZINC001236212891 819374458 /nfs/dbraw/zinc/37/44/58/819374458.db2.gz AIDAMCXWINRQBP-UONOGXRCSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1O ZINC001236212891 819374464 /nfs/dbraw/zinc/37/44/64/819374464.db2.gz AIDAMCXWINRQBP-UONOGXRCSA-N 2 1 282.815 3.056 20 10 CGCDMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220295 819385860 /nfs/dbraw/zinc/38/58/60/819385860.db2.gz YXABMLBQQXPMJR-HOTGVXAUSA-N 2 1 290.451 3.391 20 10 CGCDMP C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C1(C)CC[NH2+]CC1 ZINC001236227062 819390729 /nfs/dbraw/zinc/39/07/29/819390729.db2.gz ZAODAFSLBOPZBF-UHFFFAOYSA-N 2 1 290.451 3.264 20 10 CGCDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001167841949 927030422 /nfs/dbraw/zinc/03/04/22/927030422.db2.gz VEGXLHDSVPIORO-HNNXBMFYSA-N 2 1 290.451 3.261 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1O ZINC000155480647 928253692 /nfs/dbraw/zinc/25/36/92/928253692.db2.gz IPOBFUOGBURYDQ-GOEBONIOSA-N 2 1 276.424 3.165 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039473 937239814 /nfs/dbraw/zinc/23/98/14/937239814.db2.gz SOKSLVVRFLVFEI-UHFFFAOYSA-N 2 1 291.483 3.081 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(O)c1 ZINC000185358313 374646120 /nfs/dbraw/zinc/64/61/20/374646120.db2.gz NWDLZDHDJAOJCB-HOTGVXAUSA-N 2 1 290.451 3.472 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(O)c1C ZINC000273404458 378744236 /nfs/dbraw/zinc/74/42/36/378744236.db2.gz OAGJTHOSESPKBN-USXIJHARSA-N 2 1 288.435 3.286 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(O)c1C ZINC000273404458 378744238 /nfs/dbraw/zinc/74/42/38/378744238.db2.gz OAGJTHOSESPKBN-USXIJHARSA-N 2 1 288.435 3.286 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564064 392239643 /nfs/dbraw/zinc/23/96/43/392239643.db2.gz HMFBRDKABRIBLG-KRWDZBQOSA-N 2 1 288.435 3.151 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000185112557 262042152 /nfs/dbraw/zinc/04/21/52/262042152.db2.gz IHRNWMBOLNYFFV-LSDHHAIUSA-N 2 1 276.424 3.083 20 10 CGCDMP CCN(CC)c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221783028 622805703 /nfs/dbraw/zinc/80/57/03/622805703.db2.gz MVCPURTZJAKHDT-UHFFFAOYSA-N 2 1 291.483 3.353 20 10 CGCDMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1O ZINC000840808751 626189795 /nfs/dbraw/zinc/18/97/95/626189795.db2.gz DTOAAMXSDQHGDB-CJNGLKHVSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000840808751 626189798 /nfs/dbraw/zinc/18/97/98/626189798.db2.gz DTOAAMXSDQHGDB-CJNGLKHVSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165937 627301036 /nfs/dbraw/zinc/30/10/36/627301036.db2.gz MTULGFBMKLCAQU-ZVZYQTTQSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165937 627301039 /nfs/dbraw/zinc/30/10/39/627301039.db2.gz MTULGFBMKLCAQU-ZVZYQTTQSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000794803570 629578898 /nfs/dbraw/zinc/57/88/98/629578898.db2.gz APMNJKBWKZLQCP-GOEBONIOSA-N 2 1 276.424 3.083 20 10 CGCDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817958738 632255296 /nfs/dbraw/zinc/25/52/96/632255296.db2.gz MDDYBSHJOKHUNA-BBRMVZONSA-N 2 1 290.451 3.295 20 10 CGCDMP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817977825 632269014 /nfs/dbraw/zinc/26/90/14/632269014.db2.gz PYJPMJTUEFATEA-RKDXNWHRSA-N 2 1 291.222 3.477 20 10 CGCDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979004 632269662 /nfs/dbraw/zinc/26/96/62/632269662.db2.gz GIRAGFHXEPQERB-ZFWWWQNUSA-N 2 1 293.430 3.204 20 10 CGCDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979003 632269936 /nfs/dbraw/zinc/26/99/36/632269936.db2.gz GIRAGFHXEPQERB-UKRRQHHQSA-N 2 1 293.430 3.204 20 10 CGCDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978808 632270756 /nfs/dbraw/zinc/27/07/56/632270756.db2.gz DZJIFWBDWCNQBO-GDBMZVCRSA-N 2 1 275.440 3.065 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(O)c1C ZINC000817982009 632271528 /nfs/dbraw/zinc/27/15/28/632271528.db2.gz PCURCUILXSOYOX-CZUORRHYSA-N 2 1 276.424 3.177 20 10 CGCDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982686 632272791 /nfs/dbraw/zinc/27/27/91/632272791.db2.gz VLYRMILYHXIJIJ-MSOLQXFVSA-N 2 1 289.467 3.311 20 10 CGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1O ZINC000817984075 632273332 /nfs/dbraw/zinc/27/33/32/632273332.db2.gz MNVKJJSLCFYJSR-DGCLKSJQSA-N 2 1 282.815 3.147 20 10 CGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000872723785 634196442 /nfs/dbraw/zinc/19/64/42/634196442.db2.gz BQHKXJUWVSYAEE-CRAIPNDOSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000872723785 634196445 /nfs/dbraw/zinc/19/64/45/634196445.db2.gz BQHKXJUWVSYAEE-CRAIPNDOSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000872723785 634196449 /nfs/dbraw/zinc/19/64/49/634196449.db2.gz BQHKXJUWVSYAEE-CRAIPNDOSA-N 2 1 296.414 3.071 20 10 CGCDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)ccc1O ZINC000834908187 634283437 /nfs/dbraw/zinc/28/34/37/634283437.db2.gz HVUVKVXFCFCZPJ-LBPRGKRZSA-N 2 1 280.387 3.056 20 10 CGCDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1O ZINC000873245613 634299398 /nfs/dbraw/zinc/29/93/98/634299398.db2.gz SHDQKUNDNNSLBA-UKRRQHHQSA-N 2 1 294.414 3.350 20 10 CGCDMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(O)c1 ZINC000876933693 634930838 /nfs/dbraw/zinc/93/08/38/634930838.db2.gz WPYHDTFEGLGGOU-MRXNPFEDSA-N 2 1 290.451 3.445 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CCC[N@@H+](C)C(C)C)c(Cl)c1 ZINC000840875291 635071013 /nfs/dbraw/zinc/07/10/13/635071013.db2.gz MFKRNBVQPPNQDW-UHFFFAOYSA-N 2 1 284.831 3.174 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CCC[N@H+](C)C(C)C)c(Cl)c1 ZINC000840875291 635071016 /nfs/dbraw/zinc/07/10/16/635071016.db2.gz MFKRNBVQPPNQDW-UHFFFAOYSA-N 2 1 284.831 3.174 20 10 CGCDMP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)cc1O ZINC000925842208 638629658 /nfs/dbraw/zinc/62/96/58/638629658.db2.gz YJMOXOIOYNZXCB-DJIMGWMZSA-N 2 1 292.398 3.104 20 10 CGCDMP Cc1ccc(O)c(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000071408174 798917071 /nfs/dbraw/zinc/91/70/71/798917071.db2.gz CGISPKTUJHROOL-UHFFFAOYSA-N 2 1 290.451 3.445 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392197343 799480884 /nfs/dbraw/zinc/48/08/84/799480884.db2.gz DZINHNAPYDUSTO-UKRRQHHQSA-N 2 1 286.419 3.100 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1O ZINC001205280634 812928853 /nfs/dbraw/zinc/92/88/53/812928853.db2.gz DVBJOLXYUYVMKE-SFHVURJKSA-N 2 1 290.451 3.393 20 10 CGCDMP Cc1c(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c2ccccc2n1C ZINC001138259297 803885895 /nfs/dbraw/zinc/88/58/95/803885895.db2.gz DTGWEEREYQYYJS-HNAYVOBHSA-N 2 1 297.446 3.013 20 10 CGCDMP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246919254 804599997 /nfs/dbraw/zinc/59/99/97/804599997.db2.gz GIVKUFBEMPDRFP-WMZOPIPTSA-N 2 1 289.467 3.105 20 10 CGCDMP C[N@@H+](Cc1ccccc1O)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642757 808111191 /nfs/dbraw/zinc/11/11/91/808111191.db2.gz MGWKXBMHMJULCY-UHFFFAOYSA-N 2 1 290.451 3.475 20 10 CGCDMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccccc2O)CC1 ZINC001173113574 808513626 /nfs/dbraw/zinc/51/36/26/808513626.db2.gz VILSGBLWKLGTEG-UHFFFAOYSA-N 2 1 290.451 3.477 20 10 CGCDMP Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c2ccccc2n1C ZINC001205618383 813029887 /nfs/dbraw/zinc/02/98/87/813029887.db2.gz VQGSCIKNLGTZCE-GOEBONIOSA-N 2 1 299.462 3.294 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205931305 813139357 /nfs/dbraw/zinc/13/93/57/813139357.db2.gz IOUQBQUAUTYIOU-GOSISDBHSA-N 2 1 297.446 3.407 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205931305 813139359 /nfs/dbraw/zinc/13/93/59/813139359.db2.gz IOUQBQUAUTYIOU-GOSISDBHSA-N 2 1 297.446 3.407 20 10 CGCDMP Cc1cc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001206269894 813266132 /nfs/dbraw/zinc/26/61/32/813266132.db2.gz XGNVFZNBLRMLCE-OAHLLOKOSA-N 2 1 297.446 3.135 20 10 CGCDMP Cc1cc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001206269894 813266137 /nfs/dbraw/zinc/26/61/37/813266137.db2.gz XGNVFZNBLRMLCE-OAHLLOKOSA-N 2 1 297.446 3.135 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001206564205 813355149 /nfs/dbraw/zinc/35/51/49/813355149.db2.gz MYPZPKCQNFEMEB-MRXNPFEDSA-N 2 1 296.842 3.305 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1O ZINC001206624630 813378511 /nfs/dbraw/zinc/37/85/11/813378511.db2.gz XTITXVZSUYRSFW-AWEZNQCLSA-N 2 1 290.451 3.251 20 10 CGCDMP CC[N@H+](C)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883321 818201611 /nfs/dbraw/zinc/20/16/11/818201611.db2.gz OEFBZBRXXFNLDC-UHFFFAOYSA-N 2 1 298.430 3.462 20 10 CGCDMP CC[N@@H+](C)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883321 818201613 /nfs/dbraw/zinc/20/16/13/818201613.db2.gz OEFBZBRXXFNLDC-UHFFFAOYSA-N 2 1 298.430 3.462 20 10 CGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235108587 819003712 /nfs/dbraw/zinc/00/37/12/819003712.db2.gz BKSIXEHUACWWDE-GOSISDBHSA-N 2 1 288.435 3.018 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c(O)c1 ZINC001235108587 819003718 /nfs/dbraw/zinc/00/37/18/819003718.db2.gz BKSIXEHUACWWDE-GOSISDBHSA-N 2 1 288.435 3.018 20 10 CGCDMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1O ZINC001235169228 819022820 /nfs/dbraw/zinc/02/28/20/819022820.db2.gz WVENEACKXWHCMG-SFHVURJKSA-N 2 1 288.435 3.117 20 10 CGCDMP C[N@H+](Cc1ccc(C(C)(C)C)cc1O)C[C@H]1CCC[NH2+]C1 ZINC001235957291 819245689 /nfs/dbraw/zinc/24/56/89/819245689.db2.gz MDFQHQMNGNDJAV-AWEZNQCLSA-N 2 1 290.451 3.121 20 10 CGCDMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1O ZINC001236044526 819282749 /nfs/dbraw/zinc/28/27/49/819282749.db2.gz NDXBYFMNRBYSEW-UHFFFAOYSA-N 2 1 296.414 3.060 20 10 CGCDMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCC[NH2+]1 ZINC001236100433 819317776 /nfs/dbraw/zinc/31/77/76/819317776.db2.gz HXCIJIBKZFTFJC-HNNXBMFYSA-N 2 1 296.414 3.243 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236218208 819384634 /nfs/dbraw/zinc/38/46/34/819384634.db2.gz LGKUIGBPOUXWCJ-INIZCTEOSA-N 2 1 296.414 3.262 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236218208 819384639 /nfs/dbraw/zinc/38/46/39/819384639.db2.gz LGKUIGBPOUXWCJ-INIZCTEOSA-N 2 1 296.414 3.262 20 10 CGCDMP Cc1ccc(O)c(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651260 819561866 /nfs/dbraw/zinc/56/18/66/819561866.db2.gz HBVKSBKKHFEKBW-QGZVFWFLSA-N 2 1 288.435 3.197 20 10 CGCDMP Cc1ccc(O)c(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651260 819561875 /nfs/dbraw/zinc/56/18/75/819561875.db2.gz HBVKSBKKHFEKBW-QGZVFWFLSA-N 2 1 288.435 3.197 20 10 CGCDMP Oc1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc2ccccc21 ZINC001237407548 819745933 /nfs/dbraw/zinc/74/59/33/819745933.db2.gz XZUYQLTYEWKXPL-CRAIPNDOSA-N 2 1 296.414 3.119 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237410519 819746537 /nfs/dbraw/zinc/74/65/37/819746537.db2.gz DTFPDEOBFDQBHG-DOTOQJQBSA-N 2 1 288.435 3.090 20 10 CGCDMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC001348852829 936936077 /nfs/dbraw/zinc/93/60/77/936936077.db2.gz PVMZPEWSTLHGHW-RKDXNWHRSA-N 2 1 291.222 3.205 20 10 CGCDMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001462464485 937643200 /nfs/dbraw/zinc/64/32/00/937643200.db2.gz ZLHIXONNMNFVFE-BBRMVZONSA-N 2 1 294.414 3.084 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC001324514628 934518664 /nfs/dbraw/zinc/51/86/64/934518664.db2.gz UYFLJFRWXOREOA-CVEARBPZSA-N 2 1 290.451 3.392 20 10 CGCDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001329428608 935215219 /nfs/dbraw/zinc/21/52/19/935215219.db2.gz TZNUBARIRYDXJC-SFHVURJKSA-N 2 1 289.467 3.092 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C[NH3+])CC(C)C ZINC001331837142 935412949 /nfs/dbraw/zinc/41/29/49/935412949.db2.gz ZPIKSSGMBCWJAN-RDBSUJKOSA-N 2 1 276.424 3.212 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1C ZINC000296288500 373082363 /nfs/dbraw/zinc/08/23/63/373082363.db2.gz FHTTWFPRXMBDFX-WZYMTQMTSA-N 2 1 288.435 3.285 20 10 CGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000185358676 374645679 /nfs/dbraw/zinc/64/56/79/374645679.db2.gz YJFCMJSSNFJQDC-UONOGXRCSA-N 2 1 294.414 3.302 20 10 CGCDMP CN1CC[C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)[C@@H]2C1 ZINC000272226320 378589507 /nfs/dbraw/zinc/58/95/07/378589507.db2.gz JFVRGMRDMYNWEH-CRAIPNDOSA-N 2 1 296.414 3.071 20 10 CGCDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000286319102 380194615 /nfs/dbraw/zinc/19/46/15/380194615.db2.gz XNGVNUHWYSTCAO-BBRMVZONSA-N 2 1 294.414 3.304 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000286319102 380194623 /nfs/dbraw/zinc/19/46/23/380194623.db2.gz XNGVNUHWYSTCAO-BBRMVZONSA-N 2 1 294.414 3.304 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000185112266 262042011 /nfs/dbraw/zinc/04/20/11/262042011.db2.gz CLBMTOPVRRBHGC-GJZGRUSLSA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185346330 262051436 /nfs/dbraw/zinc/05/14/36/262051436.db2.gz CLSVSZDIUZRECC-ZIAGYGMSSA-N 2 1 287.407 3.192 20 10 CGCDMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(F)ccc1O ZINC000233431626 624628241 /nfs/dbraw/zinc/62/82/41/624628241.db2.gz TVVZLGFWRZYOQN-UHFFFAOYSA-N 2 1 282.403 3.085 20 10 CGCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(F)ccc1O ZINC000233431626 624628245 /nfs/dbraw/zinc/62/82/45/624628245.db2.gz TVVZLGFWRZYOQN-UHFFFAOYSA-N 2 1 282.403 3.085 20 10 CGCDMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000840809346 626192468 /nfs/dbraw/zinc/19/24/68/626192468.db2.gz JRUGZIQXLJPPOG-RDJZCZTQSA-N 2 1 290.451 3.473 20 10 CGCDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000839183105 626327195 /nfs/dbraw/zinc/32/71/95/626327195.db2.gz UAKJNZOLCGDZGL-OAHLLOKOSA-N 2 1 298.430 3.367 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817949896 632246717 /nfs/dbraw/zinc/24/67/17/632246717.db2.gz OUWNPXKGBLDDKS-CJNGLKHVSA-N 2 1 288.435 3.064 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(O)c1C ZINC000817958972 632255200 /nfs/dbraw/zinc/25/52/00/632255200.db2.gz NVOPHVCXGIIONT-KGLIPLIRSA-N 2 1 264.413 3.033 20 10 CGCDMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000817963521 632259305 /nfs/dbraw/zinc/25/93/05/632259305.db2.gz TWQIZQRAXTYSOW-RYUDHWBXSA-N 2 1 288.366 3.402 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000817982470 632273107 /nfs/dbraw/zinc/27/31/07/632273107.db2.gz SSJZSOJYHUWEEV-KBXCAEBGSA-N 2 1 289.467 3.311 20 10 CGCDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000873223576 634291859 /nfs/dbraw/zinc/29/18/59/634291859.db2.gz OCPRNLQCFKLGDR-INIZCTEOSA-N 2 1 296.842 3.243 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759706 634894345 /nfs/dbraw/zinc/89/43/45/634894345.db2.gz QOUGAPIIHRHZAM-HUUCEWRRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759706 634894347 /nfs/dbraw/zinc/89/43/47/634894347.db2.gz QOUGAPIIHRHZAM-HUUCEWRRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2O)C[C@H]1C ZINC000876759706 634894352 /nfs/dbraw/zinc/89/43/52/634894352.db2.gz QOUGAPIIHRHZAM-HUUCEWRRSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000877115943 634987907 /nfs/dbraw/zinc/98/79/07/634987907.db2.gz XEUPJMXNQCUPAQ-INIZCTEOSA-N 2 1 290.451 3.158 20 10 CGCDMP CC[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(F)cc1O ZINC000843340345 635648883 /nfs/dbraw/zinc/64/88/83/635648883.db2.gz BGSKMOKXOBFLJZ-CQSZACIVSA-N 2 1 268.376 3.091 20 10 CGCDMP CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccccc1O ZINC000845995301 636127899 /nfs/dbraw/zinc/12/78/99/636127899.db2.gz BRBMJXFWCUNTAS-MRXNPFEDSA-N 2 1 278.440 3.411 20 10 CGCDMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1O ZINC000848888156 636676097 /nfs/dbraw/zinc/67/60/97/636676097.db2.gz NOHDNERIJXNLDD-WMLDXEAASA-N 2 1 290.451 3.259 20 10 CGCDMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1O ZINC000848888156 636676104 /nfs/dbraw/zinc/67/61/04/636676104.db2.gz NOHDNERIJXNLDD-WMLDXEAASA-N 2 1 290.451 3.259 20 10 CGCDMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1O ZINC000848888156 636676105 /nfs/dbraw/zinc/67/61/05/636676105.db2.gz NOHDNERIJXNLDD-WMLDXEAASA-N 2 1 290.451 3.259 20 10 CGCDMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(O)c1 ZINC001140950213 804558988 /nfs/dbraw/zinc/55/89/88/804558988.db2.gz VUERLIIBLWWRBV-UHFFFAOYSA-N 2 1 290.451 3.253 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246927540 804603773 /nfs/dbraw/zinc/60/37/73/804603773.db2.gz WQQATVCOOATIQO-GJZGRUSLSA-N 2 1 289.467 3.104 20 10 CGCDMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC001169107181 807578886 /nfs/dbraw/zinc/57/88/86/807578886.db2.gz FUZOZNOMSOANAN-PLYYQAHHSA-N 2 1 287.451 3.028 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117112 812873983 /nfs/dbraw/zinc/87/39/83/812873983.db2.gz KXMYECMKXKTOFF-OAHLLOKOSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(O)c1 ZINC001205289386 812933860 /nfs/dbraw/zinc/93/38/60/812933860.db2.gz XEJDFYBBMJIZDJ-KRWDZBQOSA-N 2 1 276.424 3.219 20 10 CGCDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831197 813101959 /nfs/dbraw/zinc/10/19/59/813101959.db2.gz WUMKLOWILQRCPT-UKRRQHHQSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831197 813101962 /nfs/dbraw/zinc/10/19/62/813101962.db2.gz WUMKLOWILQRCPT-UKRRQHHQSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001205913924 813131435 /nfs/dbraw/zinc/13/14/35/813131435.db2.gz KQSFGPDQEAOPND-KGLIPLIRSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001205914128 813131667 /nfs/dbraw/zinc/13/16/67/813131667.db2.gz LGRUBKPBGWTHJD-KBPBESRZSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1O ZINC001206021725 813168827 /nfs/dbraw/zinc/16/88/27/813168827.db2.gz AULKEEXDAFCRNQ-QWHCGFSZSA-N 2 1 296.842 3.161 20 10 CGCDMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(O)c1 ZINC001236219218 819386770 /nfs/dbraw/zinc/38/67/70/819386770.db2.gz USHJFGABQXOEIQ-HOTGVXAUSA-N 2 1 276.424 3.217 20 10 CGCDMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C1(C)CC[NH2+]CC1 ZINC001236226085 819391826 /nfs/dbraw/zinc/39/18/26/819391826.db2.gz HMYAFLPGPNWHKY-UHFFFAOYSA-N 2 1 290.451 3.264 20 10 CGCDMP CC[N@H+](Cc1cc(C(C)(C)C)ccc1O)C[C@@H]1CC[NH2+]C1 ZINC001236408847 819455753 /nfs/dbraw/zinc/45/57/53/819455753.db2.gz PBNXXIADDJKLRW-CQSZACIVSA-N 2 1 290.451 3.121 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(F)cc1O ZINC000286207543 380176616 /nfs/dbraw/zinc/17/66/16/380176616.db2.gz RWNIHEZZESKKQF-UVBJJODRSA-N 2 1 292.398 3.055 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1O ZINC000285572354 380150004 /nfs/dbraw/zinc/15/00/04/380150004.db2.gz IBGAKMCRZXUSFV-MLGOLLRUSA-N 2 1 292.398 3.056 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1O ZINC000285572354 380150010 /nfs/dbraw/zinc/15/00/10/380150010.db2.gz IBGAKMCRZXUSFV-MLGOLLRUSA-N 2 1 292.398 3.056 20 10 CGCDMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C)cc1O ZINC000280156343 522572067 /nfs/dbraw/zinc/57/20/67/522572067.db2.gz QLICVTAZTAOCPN-INIZCTEOSA-N 2 1 274.408 3.003 20 10 CGCDMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1O ZINC000840808753 626190165 /nfs/dbraw/zinc/19/01/65/626190165.db2.gz DTOAAMXSDQHGDB-CZUORRHYSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000840808753 626190167 /nfs/dbraw/zinc/19/01/67/626190167.db2.gz DTOAAMXSDQHGDB-CZUORRHYSA-N 2 1 294.414 3.304 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817895046 632230473 /nfs/dbraw/zinc/23/04/73/632230473.db2.gz TVPNLHIAZXNSJB-RBUKOAKNSA-N 2 1 295.430 3.295 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817895045 632230754 /nfs/dbraw/zinc/23/07/54/632230754.db2.gz TVPNLHIAZXNSJB-OALUTQOASA-N 2 1 295.430 3.295 20 10 CGCDMP CN(C)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000817900589 632231441 /nfs/dbraw/zinc/23/14/41/632231441.db2.gz OCRMDSFQMSMUDW-SJORKVTESA-N 2 1 299.393 3.126 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000817963068 632258990 /nfs/dbraw/zinc/25/89/90/632258990.db2.gz ROSXTMPNIWNYFJ-ZFWWWQNUSA-N 2 1 264.413 3.259 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(O)c1C ZINC000817982006 632271902 /nfs/dbraw/zinc/27/19/02/632271902.db2.gz PCURCUILXSOYOX-BBRMVZONSA-N 2 1 276.424 3.177 20 10 CGCDMP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cc1O ZINC000834908323 634282949 /nfs/dbraw/zinc/28/29/49/634282949.db2.gz INFQKFUFRHVXNR-GFCCVEGCSA-N 2 1 280.387 3.056 20 10 CGCDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1O ZINC000834908323 634282955 /nfs/dbraw/zinc/28/29/55/634282955.db2.gz INFQKFUFRHVXNR-GFCCVEGCSA-N 2 1 280.387 3.056 20 10 CGCDMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1O ZINC000834908961 634284420 /nfs/dbraw/zinc/28/44/20/634284420.db2.gz NMFZEZUDIOOKHI-INIZCTEOSA-N 2 1 276.424 3.307 20 10 CGCDMP Cc1cccc(O)c1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000876766567 634895424 /nfs/dbraw/zinc/89/54/24/634895424.db2.gz NQIPLUPRZUOWFY-HNNXBMFYSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cccc(O)c1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000876766567 634895427 /nfs/dbraw/zinc/89/54/27/634895427.db2.gz NQIPLUPRZUOWFY-HNNXBMFYSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cccc(O)c1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000876766567 634895429 /nfs/dbraw/zinc/89/54/29/634895429.db2.gz NQIPLUPRZUOWFY-HNNXBMFYSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000840881634 635073519 /nfs/dbraw/zinc/07/35/19/635073519.db2.gz PBOQHDHPKLGXIX-OLZOCXBDSA-N 2 1 294.826 3.070 20 10 CGCDMP Cc1cc(O)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000840881634 635073522 /nfs/dbraw/zinc/07/35/22/635073522.db2.gz PBOQHDHPKLGXIX-OLZOCXBDSA-N 2 1 294.826 3.070 20 10 CGCDMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744193 635222326 /nfs/dbraw/zinc/22/23/26/635222326.db2.gz MTTYKKMKLJIIRC-GFCCVEGCSA-N 2 1 284.831 3.427 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744193 635222327 /nfs/dbraw/zinc/22/23/27/635222327.db2.gz MTTYKKMKLJIIRC-GFCCVEGCSA-N 2 1 284.831 3.427 20 10 CGCDMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000094616974 640799220 /nfs/dbraw/zinc/79/92/20/640799220.db2.gz HRRGEAIUHJSIRH-GFCCVEGCSA-N 2 1 280.387 3.056 20 10 CGCDMP Cc1c(C[N@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1C ZINC001138252418 803880191 /nfs/dbraw/zinc/88/01/91/803880191.db2.gz GPNLPIMFICFLIO-UHFFFAOYSA-N 2 1 285.435 3.013 20 10 CGCDMP Cc1c(C[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1C ZINC001138252418 803880200 /nfs/dbraw/zinc/88/02/00/803880200.db2.gz GPNLPIMFICFLIO-UHFFFAOYSA-N 2 1 285.435 3.013 20 10 CGCDMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143104679 804802534 /nfs/dbraw/zinc/80/25/34/804802534.db2.gz XFDGVQSVQFGSKN-UHFFFAOYSA-N 2 1 278.440 3.073 20 10 CGCDMP Cc1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1O ZINC001276080880 808987148 /nfs/dbraw/zinc/98/71/48/808987148.db2.gz WZCUMESLRFEIFW-SFHVURJKSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1O ZINC001276080880 808987151 /nfs/dbraw/zinc/98/71/51/808987151.db2.gz WZCUMESLRFEIFW-SFHVURJKSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1O ZINC001276080880 808987154 /nfs/dbraw/zinc/98/71/54/808987154.db2.gz WZCUMESLRFEIFW-SFHVURJKSA-N 2 1 288.435 3.008 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117111 812874394 /nfs/dbraw/zinc/87/43/94/812874394.db2.gz KXMYECMKXKTOFF-HNNXBMFYSA-N 2 1 276.424 3.003 20 10 CGCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831192 813101863 /nfs/dbraw/zinc/10/18/63/813101863.db2.gz WUMKLOWILQRCPT-HIFRSBDPSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001205831192 813101868 /nfs/dbraw/zinc/10/18/68/813101868.db2.gz WUMKLOWILQRCPT-HIFRSBDPSA-N 2 1 290.451 3.249 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC001206026507 813170558 /nfs/dbraw/zinc/17/05/58/813170558.db2.gz SNWRGLXTHINKHE-ZBFHGGJFSA-N 2 1 290.451 3.322 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c2ccccc2n1C ZINC001206304475 813280310 /nfs/dbraw/zinc/28/03/10/813280310.db2.gz LHLYTAQCBNOVQB-IBGZPJMESA-N 2 1 299.462 3.438 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(O)c1 ZINC001206573151 813359316 /nfs/dbraw/zinc/35/93/16/813359316.db2.gz IRFCGTPRLPWEHG-SFHVURJKSA-N 2 1 290.451 3.467 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206606093 813372014 /nfs/dbraw/zinc/37/20/14/813372014.db2.gz CZCFIPAJDIMDMV-KRWDZBQOSA-N 2 1 289.467 3.094 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(O)c1 ZINC001206639560 813382623 /nfs/dbraw/zinc/38/26/23/813382623.db2.gz DYIRCBNTBHDZQV-CQSZACIVSA-N 2 1 290.451 3.251 20 10 CGCDMP CCc1ccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222394968 816430826 /nfs/dbraw/zinc/43/08/26/816430826.db2.gz DBUHBNOIVIISLN-SFHVURJKSA-N 2 1 288.435 3.063 20 10 CGCDMP CCc1ccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222394968 816430830 /nfs/dbraw/zinc/43/08/30/816430830.db2.gz DBUHBNOIVIISLN-SFHVURJKSA-N 2 1 288.435 3.063 20 10 CGCDMP CN1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@H]21 ZINC001231589806 818129789 /nfs/dbraw/zinc/12/97/89/818129789.db2.gz RNOVQVUBWLHGKW-MAUKXSAKSA-N 2 1 296.414 3.071 20 10 CGCDMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420483 819466717 /nfs/dbraw/zinc/46/67/17/819466717.db2.gz MTYHFOHBERDWCP-KBXCAEBGSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420483 819466723 /nfs/dbraw/zinc/46/67/23/819466723.db2.gz MTYHFOHBERDWCP-KBXCAEBGSA-N 2 1 297.446 3.217 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320118322 934003388 /nfs/dbraw/zinc/00/33/88/934003388.db2.gz IFUDMXRKGUSMIW-CVEARBPZSA-N 2 1 290.451 3.392 20 10 CGCDMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC001326473701 934982014 /nfs/dbraw/zinc/98/20/14/934982014.db2.gz NVKQAWVPAPCHRG-IUCAKERBSA-N 2 1 291.222 3.348 20 10 CGCDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001329428605 935215292 /nfs/dbraw/zinc/21/52/92/935215292.db2.gz TZNUBARIRYDXJC-GOSISDBHSA-N 2 1 289.467 3.092 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000180424378 346254550 /nfs/dbraw/zinc/25/45/50/346254550.db2.gz NDMQFPFATKQHCL-IUODEOHRSA-N 2 1 296.842 3.269 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000180424378 346254551 /nfs/dbraw/zinc/25/45/51/346254551.db2.gz NDMQFPFATKQHCL-IUODEOHRSA-N 2 1 296.842 3.269 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000180424378 346254554 /nfs/dbraw/zinc/25/45/54/346254554.db2.gz NDMQFPFATKQHCL-IUODEOHRSA-N 2 1 296.842 3.269 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000180424378 346254555 /nfs/dbraw/zinc/25/45/55/346254555.db2.gz NDMQFPFATKQHCL-IUODEOHRSA-N 2 1 296.842 3.269 20 10 CGCDMP Cc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000180362983 373995053 /nfs/dbraw/zinc/99/50/53/373995053.db2.gz LXELRMHYXYVNIL-KRWDZBQOSA-N 2 1 288.435 3.151 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(O)c1C ZINC000273404459 378746700 /nfs/dbraw/zinc/74/67/00/378746700.db2.gz OAGJTHOSESPKBN-XIRDDKMYSA-N 2 1 288.435 3.286 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(O)c1C ZINC000273404459 378746704 /nfs/dbraw/zinc/74/67/04/378746704.db2.gz OAGJTHOSESPKBN-XIRDDKMYSA-N 2 1 288.435 3.286 20 10 CGCDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1O ZINC000272928419 378724230 /nfs/dbraw/zinc/72/42/30/378724230.db2.gz YZXDMYUWHQPYFG-ZDUSSCGKSA-N 2 1 274.408 3.060 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(F)cc1O ZINC000286207546 380175614 /nfs/dbraw/zinc/17/56/14/380175614.db2.gz RWNIHEZZESKKQF-XFBWCDHKSA-N 2 1 292.398 3.055 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1O ZINC000363858966 382259157 /nfs/dbraw/zinc/25/91/57/382259157.db2.gz RWLRCNPBKKELEX-YUTCNCBUSA-N 2 1 294.826 3.323 20 10 CGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297504987 392568740 /nfs/dbraw/zinc/56/87/40/392568740.db2.gz CGBWRPBDKILIMU-ZBFHGGJFSA-N 2 1 288.435 3.090 20 10 CGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000173451108 392625590 /nfs/dbraw/zinc/62/55/90/392625590.db2.gz CXLSAAKNGJTOJX-MRXNPFEDSA-N 2 1 290.451 3.173 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000173451108 392625596 /nfs/dbraw/zinc/62/55/96/392625596.db2.gz CXLSAAKNGJTOJX-MRXNPFEDSA-N 2 1 290.451 3.173 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000173451108 392625601 /nfs/dbraw/zinc/62/56/01/392625601.db2.gz CXLSAAKNGJTOJX-MRXNPFEDSA-N 2 1 290.451 3.173 20 10 CGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185346350 262051826 /nfs/dbraw/zinc/05/18/26/262051826.db2.gz CLSVSZDIUZRECC-KGLIPLIRSA-N 2 1 287.407 3.192 20 10 CGCDMP CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)[C@@H]1CCC[NH2+]1 ZINC000423089570 330169271 /nfs/dbraw/zinc/16/92/71/330169271.db2.gz VLJGMGMOXKQLBL-HOTGVXAUSA-N 2 1 285.435 3.107 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000093660002 619208643 /nfs/dbraw/zinc/20/86/43/619208643.db2.gz ROYBMFMLYFYWHX-KRWDZBQOSA-N 2 1 290.451 3.315 20 10 CGCDMP Cc1cc(O)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000093660002 619208645 /nfs/dbraw/zinc/20/86/45/619208645.db2.gz ROYBMFMLYFYWHX-KRWDZBQOSA-N 2 1 290.451 3.315 20 10 CGCDMP Cc1cc(O)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000093660002 619208646 /nfs/dbraw/zinc/20/86/46/619208646.db2.gz ROYBMFMLYFYWHX-KRWDZBQOSA-N 2 1 290.451 3.315 20 10 CGCDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921774733 625871712 /nfs/dbraw/zinc/87/17/12/625871712.db2.gz LQSUXSIWFNKMJH-UHFFFAOYSA-N 2 1 299.418 3.087 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756396217 625961792 /nfs/dbraw/zinc/96/17/92/625961792.db2.gz HUWONPOXIVGMBR-LBPRGKRZSA-N 2 1 284.831 3.427 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1O ZINC000839181924 626326680 /nfs/dbraw/zinc/32/66/80/626326680.db2.gz KMKSMJRCUBBTBQ-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000839182920 626327180 /nfs/dbraw/zinc/32/71/80/626327180.db2.gz RTXWYXSZOYBTMU-GOEBONIOSA-N 2 1 276.424 3.165 20 10 CGCDMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000790751888 629228269 /nfs/dbraw/zinc/22/82/69/629228269.db2.gz YXHRHBZMXBNKTD-ZDUSSCGKSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1O ZINC000817961396 632257503 /nfs/dbraw/zinc/25/75/03/632257503.db2.gz XZATWMAVJQJPKM-TUKIKUTGSA-N 2 1 280.387 3.090 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817963192 632258916 /nfs/dbraw/zinc/25/89/16/632258916.db2.gz SDICMHIEJTZTEI-LOWVWBTDSA-N 2 1 280.387 3.187 20 10 CGCDMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000877689512 635147747 /nfs/dbraw/zinc/14/77/47/635147747.db2.gz HJBRWBHSUKTTSS-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000843050915 635550506 /nfs/dbraw/zinc/55/05/06/635550506.db2.gz BCAYKTFQHRYGMI-DOTOQJQBSA-N 2 1 289.467 3.092 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1O ZINC000843056434 635553855 /nfs/dbraw/zinc/55/38/55/635553855.db2.gz JUOVRTRRIUXMDJ-AWEZNQCLSA-N 2 1 284.831 3.159 20 10 CGCDMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(N2CCCCC2)cc1 ZINC000854226570 638027186 /nfs/dbraw/zinc/02/71/86/638027186.db2.gz IFEVZTXZCZJTTP-MDCZIUGASA-N 2 1 299.462 3.080 20 10 CGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2O)CC1 ZINC001140624243 804478460 /nfs/dbraw/zinc/47/84/60/804478460.db2.gz MTFVSGPFJKTFCF-UHFFFAOYSA-N 2 1 290.451 3.397 20 10 CGCDMP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246919252 804600300 /nfs/dbraw/zinc/60/03/00/804600300.db2.gz GIVKUFBEMPDRFP-SJLPKXTDSA-N 2 1 289.467 3.105 20 10 CGCDMP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c1O ZINC001204938144 812786456 /nfs/dbraw/zinc/78/64/56/812786456.db2.gz JKMOIMMGCZOHPR-QGZVFWFLSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)c1O ZINC001204938144 812786462 /nfs/dbraw/zinc/78/64/62/812786462.db2.gz JKMOIMMGCZOHPR-QGZVFWFLSA-N 2 1 276.424 3.003 20 10 CGCDMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001205116966 812874934 /nfs/dbraw/zinc/87/49/34/812874934.db2.gz KEEQDQSBAPZQLD-KRWDZBQOSA-N 2 1 296.414 3.372 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205281815 812930102 /nfs/dbraw/zinc/93/01/02/812930102.db2.gz YNWIPPLJUKNKIP-OAHLLOKOSA-N 2 1 282.815 3.057 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C[NH3+] ZINC001205638444 813035517 /nfs/dbraw/zinc/03/55/17/813035517.db2.gz NXJHVFKOZMBQMM-GDBMZVCRSA-N 2 1 298.430 3.352 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1C[NH3+] ZINC001205636001 813036230 /nfs/dbraw/zinc/03/62/30/813036230.db2.gz BQLPOSMDYXVFDE-HOCLYGCPSA-N 2 1 298.430 3.352 20 10 CGCDMP CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c1O ZINC001205930797 813138089 /nfs/dbraw/zinc/13/80/89/813138089.db2.gz DKOXSYPUCRVPNL-AWEZNQCLSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c1O ZINC001205930797 813138093 /nfs/dbraw/zinc/13/80/93/813138093.db2.gz DKOXSYPUCRVPNL-AWEZNQCLSA-N 2 1 276.424 3.003 20 10 CGCDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001206257343 813258300 /nfs/dbraw/zinc/25/83/00/813258300.db2.gz ATXKTGBTOANBPR-HNNXBMFYSA-N 2 1 297.446 3.090 20 10 CGCDMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1N(C)C ZINC001206311727 813284344 /nfs/dbraw/zinc/28/43/44/813284344.db2.gz STAHUMPTRDZDGW-SFHVURJKSA-N 2 1 289.467 3.012 20 10 CGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001206318609 813287874 /nfs/dbraw/zinc/28/78/74/813287874.db2.gz RXAYSZCOQDTZRW-IBGZPJMESA-N 2 1 298.430 3.496 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206370018 813305358 /nfs/dbraw/zinc/30/53/58/813305358.db2.gz KINOFKHEIZUGEJ-QGZVFWFLSA-N 2 1 294.414 3.169 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001207174028 813504625 /nfs/dbraw/zinc/50/46/25/813504625.db2.gz GNGJPDINTPVKGG-WBVHZDCISA-N 2 1 288.435 3.042 20 10 CGCDMP Cc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222148015 816359889 /nfs/dbraw/zinc/35/98/89/816359889.db2.gz HWENHFGWHURODN-IBGZPJMESA-N 2 1 297.446 3.062 20 10 CGCDMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234986009 818969538 /nfs/dbraw/zinc/96/95/38/818969538.db2.gz ASAMOEOKZWPAFC-UHFFFAOYSA-N 2 1 298.430 3.443 20 10 CGCDMP Cc1c(C[N@H+]2CCCC23CC[NH2+]CC3)c2ccccc2n1C ZINC001235140190 819015119 /nfs/dbraw/zinc/01/51/19/819015119.db2.gz GFCRVGAVUCWGES-UHFFFAOYSA-N 2 1 297.446 3.205 20 10 CGCDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001235674346 819135517 /nfs/dbraw/zinc/13/55/17/819135517.db2.gz SFLRSADWUDRQAY-KRWDZBQOSA-N 2 1 297.446 3.265 20 10 CGCDMP CC[N@@H+](Cc1cccc(C(C)(C)C)c1O)C1CC[NH2+]CC1 ZINC001235761593 819161170 /nfs/dbraw/zinc/16/11/70/819161170.db2.gz MUVYXKUPYUXFTA-UHFFFAOYSA-N 2 1 290.451 3.264 20 10 CGCDMP C[NH2+]C1CC[NH+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001235789537 819169017 /nfs/dbraw/zinc/16/90/17/819169017.db2.gz UJHXJRDPQAIORN-UHFFFAOYSA-N 2 1 297.446 3.278 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210477 819372911 /nfs/dbraw/zinc/37/29/11/819372911.db2.gz COSCRFBILVXSII-ZWKOTPCHSA-N 2 1 289.467 3.235 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210477 819372916 /nfs/dbraw/zinc/37/29/16/819372916.db2.gz COSCRFBILVXSII-ZWKOTPCHSA-N 2 1 289.467 3.235 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236214700 819377486 /nfs/dbraw/zinc/37/74/86/819377486.db2.gz DTZITHLSZAVRJE-KBPBESRZSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236214700 819377496 /nfs/dbraw/zinc/37/74/96/819377496.db2.gz DTZITHLSZAVRJE-KBPBESRZSA-N 2 1 282.815 3.056 20 10 CGCDMP CCc1cccc(C[N@@H+](CC)CCC[NH+]2CCCC2)c1O ZINC001462200942 937624551 /nfs/dbraw/zinc/62/45/51/937624551.db2.gz SDIOGOZIDOWYQY-UHFFFAOYSA-N 2 1 290.451 3.262 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC001324514631 934518425 /nfs/dbraw/zinc/51/84/25/934518425.db2.gz UYFLJFRWXOREOA-JKSUJKDBSA-N 2 1 290.451 3.392 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001329150546 935191086 /nfs/dbraw/zinc/19/10/86/935191086.db2.gz YNBXVPLVQMVJTG-UMVBOHGHSA-N 2 1 286.419 3.123 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC001575858995 962423517 /nfs/dbraw/zinc/42/35/17/962423517.db2.gz WDRLERMFBQVPJZ-UAGQMJEPSA-N 2 1 288.435 3.075 20 10 CGCDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183623352 374434253 /nfs/dbraw/zinc/43/42/53/374434253.db2.gz SGWLQLPWHGSIKO-HOTGVXAUSA-N 2 1 290.451 3.411 20 10 CGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000479435660 375151503 /nfs/dbraw/zinc/15/15/03/375151503.db2.gz GSFPXCNEXMQHBB-CKEIUWERSA-N 2 1 299.462 3.305 20 10 CGCDMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000271849960 378510469 /nfs/dbraw/zinc/51/04/69/378510469.db2.gz ILADANIRYKPCRL-GOSISDBHSA-N 2 1 287.451 3.055 20 10 CGCDMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1O ZINC000373524953 379292849 /nfs/dbraw/zinc/29/28/49/379292849.db2.gz WDJDOCPRHKKSJM-NFOMZHRRSA-N 2 1 274.408 3.060 20 10 CGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185347222 262051905 /nfs/dbraw/zinc/05/19/05/262051905.db2.gz IGGXYACRGMAUJZ-NEPJUHHUSA-N 2 1 291.370 3.023 20 10 CGCDMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1O ZINC000062745108 525287293 /nfs/dbraw/zinc/28/72/93/525287293.db2.gz SASPZEMMDBKPPZ-NSHDSACASA-N 2 1 294.414 3.491 20 10 CGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000164538856 619713979 /nfs/dbraw/zinc/71/39/79/619713979.db2.gz QAQYZSHDRVTTRJ-UHFFFAOYSA-N 2 1 287.407 3.036 20 10 CGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164538856 619713984 /nfs/dbraw/zinc/71/39/84/619713984.db2.gz QAQYZSHDRVTTRJ-UHFFFAOYSA-N 2 1 287.407 3.036 20 10 CGCDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841039015 620516525 /nfs/dbraw/zinc/51/65/25/620516525.db2.gz XEUJGKCZZBMWIM-QGZVFWFLSA-N 2 1 289.467 3.140 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756396216 626701133 /nfs/dbraw/zinc/70/11/33/626701133.db2.gz HUWONPOXIVGMBR-GFCCVEGCSA-N 2 1 284.831 3.427 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166430 627300854 /nfs/dbraw/zinc/30/08/54/627300854.db2.gz QWMTWXOTPBQQRH-HLLBOEOZSA-N 2 1 289.467 3.276 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166430 627300858 /nfs/dbraw/zinc/30/08/58/627300858.db2.gz QWMTWXOTPBQQRH-HLLBOEOZSA-N 2 1 289.467 3.276 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(O)c1 ZINC000788505390 629060623 /nfs/dbraw/zinc/06/06/23/629060623.db2.gz GKQSUVVJUQSSLH-OAHLLOKOSA-N 2 1 278.440 3.390 20 10 CGCDMP Oc1c(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc2ccccc21 ZINC000816531293 632004371 /nfs/dbraw/zinc/00/43/71/632004371.db2.gz MNWOXMRFNDHZCI-UHFFFAOYSA-N 2 1 296.414 3.262 20 10 CGCDMP CCN(CC)c1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000817889765 632228888 /nfs/dbraw/zinc/22/88/88/632228888.db2.gz VMVMVCWEOVHHHG-AWEZNQCLSA-N 2 1 298.434 3.191 20 10 CGCDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000817961655 632257308 /nfs/dbraw/zinc/25/73/08/632257308.db2.gz BVHDCIJFYXURSD-ZIAGYGMSSA-N 2 1 264.413 3.177 20 10 CGCDMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817966649 632261178 /nfs/dbraw/zinc/26/11/78/632261178.db2.gz SJRGTCDUKDGFBR-CABCVRRESA-N 2 1 275.440 3.065 20 10 CGCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000841066808 635116954 /nfs/dbraw/zinc/11/69/54/635116954.db2.gz OLZFZWQECDGEOE-INIZCTEOSA-N 2 1 297.446 3.150 20 10 CGCDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000843056503 635552920 /nfs/dbraw/zinc/55/29/20/635552920.db2.gz OCAKMIYMKQGOHG-MJRGOJFPSA-N 2 1 289.467 3.071 20 10 CGCDMP Cc1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1O ZINC000843122729 635559850 /nfs/dbraw/zinc/55/98/50/635559850.db2.gz DOELXTGKVGACLG-UHFFFAOYSA-N 2 1 276.424 3.042 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1C ZINC000843107297 635560732 /nfs/dbraw/zinc/56/07/32/635560732.db2.gz FETLJBSLCDTIHH-UHFFFAOYSA-N 2 1 298.430 3.360 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000858491660 638742343 /nfs/dbraw/zinc/74/23/43/638742343.db2.gz MTIKUDJLTKDUFD-OLZOCXBDSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000858491660 638742347 /nfs/dbraw/zinc/74/23/47/638742347.db2.gz MTIKUDJLTKDUFD-OLZOCXBDSA-N 2 1 296.842 3.428 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000155274889 639928032 /nfs/dbraw/zinc/92/80/32/639928032.db2.gz FYPMGBAXIDCJPU-ZBFHGGJFSA-N 2 1 276.424 3.165 20 10 CGCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(F)ccc1O ZINC000245883356 640645514 /nfs/dbraw/zinc/64/55/14/640645514.db2.gz KWYQYNOYJLUUFM-ZIAGYGMSSA-N 2 1 294.414 3.446 20 10 CGCDMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000715490837 800136598 /nfs/dbraw/zinc/13/65/98/800136598.db2.gz MTPUMHPPOFBLAP-LMWSTFAQSA-N 2 1 280.387 3.055 20 10 CGCDMP CC[N@@H+](Cc1ccccc1O)C1CC[NH+](CC(C)C)CC1 ZINC001258017360 807266577 /nfs/dbraw/zinc/26/65/77/807266577.db2.gz FWCCQHCRSPIQCE-UHFFFAOYSA-N 2 1 290.451 3.335 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(O)c1 ZINC001205591180 813015460 /nfs/dbraw/zinc/01/54/60/813015460.db2.gz GGLPPKQJURDMAJ-KRWDZBQOSA-N 2 1 294.414 3.169 20 10 CGCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001205916595 813132420 /nfs/dbraw/zinc/13/24/20/813132420.db2.gz UQTLWTHGCUDWIN-UKRRQHHQSA-N 2 1 284.403 3.105 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205939589 813141342 /nfs/dbraw/zinc/14/13/42/813141342.db2.gz RTOMXZVUVXONCG-OAHLLOKOSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205939589 813141345 /nfs/dbraw/zinc/14/13/45/813141345.db2.gz RTOMXZVUVXONCG-OAHLLOKOSA-N 2 1 276.424 3.003 20 10 CGCDMP C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206014550 813166691 /nfs/dbraw/zinc/16/66/91/813166691.db2.gz XOAWAOPJEWDUGV-GOEBONIOSA-N 2 1 298.430 3.352 20 10 CGCDMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1N(C)C ZINC001206311726 813284274 /nfs/dbraw/zinc/28/42/74/813284274.db2.gz STAHUMPTRDZDGW-GOSISDBHSA-N 2 1 289.467 3.012 20 10 CGCDMP CC(C)c1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222252727 816387728 /nfs/dbraw/zinc/38/77/28/816387728.db2.gz JPPFDLYJHHKWFS-SFHVURJKSA-N 2 1 288.435 3.234 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222252727 816387735 /nfs/dbraw/zinc/38/77/35/816387735.db2.gz JPPFDLYJHHKWFS-SFHVURJKSA-N 2 1 288.435 3.234 20 10 CGCDMP CC[N@@H+](C)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231589569 818130276 /nfs/dbraw/zinc/13/02/76/818130276.db2.gz LBQALZLNPUZNTH-UHFFFAOYSA-N 2 1 298.430 3.462 20 10 CGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2O)CC1 ZINC001231595530 818133896 /nfs/dbraw/zinc/13/38/96/818133896.db2.gz YIQFAIGSLROWFN-UHFFFAOYSA-N 2 1 290.451 3.397 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234994697 818972436 /nfs/dbraw/zinc/97/24/36/818972436.db2.gz VQWISQUCZNNTAL-LJQANCHMSA-N 2 1 297.446 3.062 20 10 CGCDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235162911 819019504 /nfs/dbraw/zinc/01/95/04/819019504.db2.gz YFMXVCVKPAVERJ-QGZVFWFLSA-N 2 1 288.435 3.055 20 10 CGCDMP CC[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C1CC[NH2+]CC1 ZINC001235764952 819163544 /nfs/dbraw/zinc/16/35/44/819163544.db2.gz UCNZWXVVJCYBER-UHFFFAOYSA-N 2 1 290.451 3.264 20 10 CGCDMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044554 819282213 /nfs/dbraw/zinc/28/22/13/819282213.db2.gz NSOAVWPIIRBMQO-ZBFHGGJFSA-N 2 1 297.446 3.075 20 10 CGCDMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044554 819282219 /nfs/dbraw/zinc/28/22/19/819282219.db2.gz NSOAVWPIIRBMQO-ZBFHGGJFSA-N 2 1 297.446 3.075 20 10 CGCDMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236417632 819463331 /nfs/dbraw/zinc/46/33/31/819463331.db2.gz FDGUYZWUOPVGMX-KSSFIOAISA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236417632 819463335 /nfs/dbraw/zinc/46/33/35/819463335.db2.gz FDGUYZWUOPVGMX-KSSFIOAISA-N 2 1 296.414 3.371 20 10 CGCDMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001236604227 819550503 /nfs/dbraw/zinc/55/05/03/819550503.db2.gz JTTJGIGFZALESN-IBGZPJMESA-N 2 1 297.446 3.265 20 10 CGCDMP CCC[N@H+](Cc1c(C)n(C)c2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236835840 819615626 /nfs/dbraw/zinc/61/56/26/819615626.db2.gz PSRKNGCBAWIZQU-MRXNPFEDSA-N 2 1 299.462 3.308 20 10 CGCDMP CCc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156633 819683502 /nfs/dbraw/zinc/68/35/02/819683502.db2.gz PPHLFIPQTFBJHN-QGZVFWFLSA-N 2 1 288.435 3.061 20 10 CGCDMP CCc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001237156633 819683505 /nfs/dbraw/zinc/68/35/05/819683505.db2.gz PPHLFIPQTFBJHN-QGZVFWFLSA-N 2 1 288.435 3.061 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC001320118325 934003577 /nfs/dbraw/zinc/00/35/77/934003577.db2.gz IFUDMXRKGUSMIW-HOTGVXAUSA-N 2 1 290.451 3.392 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(C)cc1O ZINC001321542406 934194087 /nfs/dbraw/zinc/19/40/87/934194087.db2.gz LKNMKSGFFQTHKW-NVXWUHKLSA-N 2 1 290.451 3.473 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(O)c1 ZINC000185358334 374646819 /nfs/dbraw/zinc/64/68/19/374646819.db2.gz NWDLZDHDJAOJCB-HZPDHXFCSA-N 2 1 290.451 3.472 20 10 CGCDMP Cc1ccc(O)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000271044369 378437244 /nfs/dbraw/zinc/43/72/44/378437244.db2.gz PCMYBPBJVOASMR-UHFFFAOYSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000283936436 380106891 /nfs/dbraw/zinc/10/68/91/380106891.db2.gz FFSQVAASHHQNOI-CABCVRRESA-N 2 1 288.435 3.144 20 10 CGCDMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1O ZINC000020189266 171054117 /nfs/dbraw/zinc/05/41/17/171054117.db2.gz SLSVFFLESLVVQQ-INIZCTEOSA-N 2 1 276.424 3.306 20 10 CGCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1O ZINC000289437783 521305685 /nfs/dbraw/zinc/30/56/85/521305685.db2.gz LQLZJHGWCRMJLQ-UHFFFAOYSA-N 2 1 298.430 3.476 20 10 CGCDMP Cc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000071406013 525350220 /nfs/dbraw/zinc/35/02/20/525350220.db2.gz ICZQFJPQIHLKTN-HNNXBMFYSA-N 2 1 276.424 3.055 20 10 CGCDMP Cc1ccc(O)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000768927772 627509628 /nfs/dbraw/zinc/50/96/28/627509628.db2.gz WKRBVBVYZAJPTF-UHFFFAOYSA-N 2 1 290.451 3.253 20 10 CGCDMP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775647858 628119197 /nfs/dbraw/zinc/11/91/97/628119197.db2.gz FIXIZCLPKUFTKU-UHFFFAOYSA-N 2 1 296.842 3.270 20 10 CGCDMP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775647858 628119198 /nfs/dbraw/zinc/11/91/98/628119198.db2.gz FIXIZCLPKUFTKU-UHFFFAOYSA-N 2 1 296.842 3.270 20 10 CGCDMP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1C ZINC000793336995 629444670 /nfs/dbraw/zinc/44/46/70/629444670.db2.gz QCJYIZSTMAHOGJ-UHFFFAOYSA-N 2 1 288.435 3.110 20 10 CGCDMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Cl)c(Cl)cc1O ZINC000817952780 632247949 /nfs/dbraw/zinc/24/79/49/632247949.db2.gz MMFRZDRFJGZDTL-JGVFFNPUSA-N 2 1 277.195 3.087 20 10 CGCDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960392 632255983 /nfs/dbraw/zinc/25/59/83/632255983.db2.gz YNFFQTSUISPVLU-RDTXWAMCSA-N 2 1 289.467 3.311 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000817962525 632257517 /nfs/dbraw/zinc/25/75/17/632257517.db2.gz JNWNHIIRVRYFCZ-RDJZCZTQSA-N 2 1 277.456 3.311 20 10 CGCDMP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cc1O ZINC000817976739 632267642 /nfs/dbraw/zinc/26/76/42/632267642.db2.gz SSJPHMCYBPLQBS-RISCZKNCSA-N 2 1 268.376 3.090 20 10 CGCDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817978087 632268562 /nfs/dbraw/zinc/26/85/62/632268562.db2.gz VTMHZRXCHDPOBH-IHRRRGAJSA-N 2 1 293.430 3.202 20 10 CGCDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C)cc1O ZINC000817981406 632271414 /nfs/dbraw/zinc/27/14/14/632271414.db2.gz JAIHIJQRSXCSGN-CVEARBPZSA-N 2 1 276.424 3.259 20 10 CGCDMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000876561785 634857699 /nfs/dbraw/zinc/85/76/99/634857699.db2.gz SPBTVZMFRMYGNB-UHFFFAOYSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1Cl ZINC000824862506 633301625 /nfs/dbraw/zinc/30/16/25/633301625.db2.gz KCYCSEFOXBQRNC-GXTWGEPZSA-N 2 1 296.842 3.269 20 10 CGCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000872723786 634196604 /nfs/dbraw/zinc/19/66/04/634196604.db2.gz BQHKXJUWVSYAEE-MAUKXSAKSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000872723786 634196607 /nfs/dbraw/zinc/19/66/07/634196607.db2.gz BQHKXJUWVSYAEE-MAUKXSAKSA-N 2 1 296.414 3.071 20 10 CGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000872723786 634196608 /nfs/dbraw/zinc/19/66/08/634196608.db2.gz BQHKXJUWVSYAEE-MAUKXSAKSA-N 2 1 296.414 3.071 20 10 CGCDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000834911417 634285428 /nfs/dbraw/zinc/28/54/28/634285428.db2.gz YYQJPXPFIDENTG-HNNXBMFYSA-N 2 1 289.467 3.278 20 10 CGCDMP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cc1O ZINC000841746825 635224309 /nfs/dbraw/zinc/22/43/09/635224309.db2.gz LLEDXUNFLKKIEB-NSHDSACASA-N 2 1 270.804 3.038 20 10 CGCDMP CCc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000848894930 636678703 /nfs/dbraw/zinc/67/87/03/636678703.db2.gz IAZQRFZZMFKZDC-HNNXBMFYSA-N 2 1 290.451 3.165 20 10 CGCDMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1O ZINC000925739145 638591505 /nfs/dbraw/zinc/59/15/05/638591505.db2.gz UGALSYQANUVGFU-SECBINFHSA-N 2 1 290.329 3.189 20 10 CGCDMP Cc1cc(O)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(Cl)c1 ZINC000858245623 638662738 /nfs/dbraw/zinc/66/27/38/638662738.db2.gz KONQOLGOPNLJQY-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(F)ccc1O ZINC000094616652 640798340 /nfs/dbraw/zinc/79/83/40/640798340.db2.gz KWYQYNOYJLUUFM-KBPBESRZSA-N 2 1 294.414 3.446 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416610 640844288 /nfs/dbraw/zinc/84/42/88/640844288.db2.gz OPGWUCFPHSTUEK-IUODEOHRSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416610 640844289 /nfs/dbraw/zinc/84/42/89/640844289.db2.gz OPGWUCFPHSTUEK-IUODEOHRSA-N 2 1 294.826 3.010 20 10 CGCDMP CN(C)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000163369272 799082603 /nfs/dbraw/zinc/08/26/03/799082603.db2.gz LWICZXJQHKBDEI-GOSISDBHSA-N 2 1 289.467 3.059 20 10 CGCDMP CN(C)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000163369272 799082612 /nfs/dbraw/zinc/08/26/12/799082612.db2.gz LWICZXJQHKBDEI-GOSISDBHSA-N 2 1 289.467 3.059 20 10 CGCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001205280625 812928711 /nfs/dbraw/zinc/92/87/11/812928711.db2.gz DRWYYGQAGXMEHE-GOSISDBHSA-N 2 1 284.403 3.249 20 10 CGCDMP CCC[N@@H+](CC)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140300770 804409088 /nfs/dbraw/zinc/40/90/88/804409088.db2.gz SIFRNEKQERVROT-UHFFFAOYSA-N 2 1 289.467 3.060 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@H]1C[NH3+] ZINC001205317108 812948795 /nfs/dbraw/zinc/94/87/95/812948795.db2.gz MDROLEJBWUHLPR-UKRRQHHQSA-N 2 1 290.451 3.106 20 10 CGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Cl ZINC001205637736 813035476 /nfs/dbraw/zinc/03/54/76/813035476.db2.gz IIFZHFUUNDRVQE-YPMHNXCESA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C[NH3+] ZINC001205638446 813037054 /nfs/dbraw/zinc/03/70/54/813037054.db2.gz NXJHVFKOZMBQMM-HOCLYGCPSA-N 2 1 298.430 3.352 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805849 813086671 /nfs/dbraw/zinc/08/66/71/813086671.db2.gz SEDSTXGNDWANIM-YJBOKZPZSA-N 2 1 289.467 3.092 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805849 813086681 /nfs/dbraw/zinc/08/66/81/813086681.db2.gz SEDSTXGNDWANIM-YJBOKZPZSA-N 2 1 289.467 3.092 20 10 CGCDMP CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206582259 813361924 /nfs/dbraw/zinc/36/19/24/813361924.db2.gz NDPZXFXEIUBNQR-GOSISDBHSA-N 2 1 289.467 3.105 20 10 CGCDMP Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272268 816392629 /nfs/dbraw/zinc/39/26/29/816392629.db2.gz PPASEAAZWOMVKC-MRXNPFEDSA-N 2 1 294.826 3.011 20 10 CGCDMP Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272268 816392635 /nfs/dbraw/zinc/39/26/35/816392635.db2.gz PPASEAAZWOMVKC-MRXNPFEDSA-N 2 1 294.826 3.011 20 10 CGCDMP CC[NH+](CC)C1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231845538 818187692 /nfs/dbraw/zinc/18/76/92/818187692.db2.gz OTFAXDQOGYVHAM-UHFFFAOYSA-N 2 1 290.451 3.315 20 10 CGCDMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235162909 819019748 /nfs/dbraw/zinc/01/97/48/819019748.db2.gz YFMXVCVKPAVERJ-KRWDZBQOSA-N 2 1 288.435 3.055 20 10 CGCDMP CN(C)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001235342057 819071812 /nfs/dbraw/zinc/07/18/12/819071812.db2.gz HIOHHPIXQNLGRX-INIZCTEOSA-N 2 1 297.446 3.090 20 10 CGCDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001235342057 819071818 /nfs/dbraw/zinc/07/18/18/819071818.db2.gz HIOHHPIXQNLGRX-INIZCTEOSA-N 2 1 297.446 3.090 20 10 CGCDMP C[N@H+](Cc1cccc(C(C)(C)C)c1O)C[C@@H]1CCC[NH2+]C1 ZINC001235958205 819245564 /nfs/dbraw/zinc/24/55/64/819245564.db2.gz YRPGBQLKMNTREN-CQSZACIVSA-N 2 1 290.451 3.121 20 10 CGCDMP C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236207036 819368671 /nfs/dbraw/zinc/36/86/71/819368671.db2.gz NBRYNAYPGABNBZ-SFHVURJKSA-N 2 1 290.451 3.264 20 10 CGCDMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236207036 819368672 /nfs/dbraw/zinc/36/86/72/819368672.db2.gz NBRYNAYPGABNBZ-SFHVURJKSA-N 2 1 290.451 3.264 20 10 CGCDMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220290 819385800 /nfs/dbraw/zinc/38/58/00/819385800.db2.gz YXABMLBQQXPMJR-CVEARBPZSA-N 2 1 290.451 3.391 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC001325339887 934905873 /nfs/dbraw/zinc/90/58/73/934905873.db2.gz LOKVRBCEYZZETB-LSDHHAIUSA-N 2 1 276.424 3.083 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC001474504283 937863573 /nfs/dbraw/zinc/86/35/73/937863573.db2.gz FCYYVOWNDQYWDV-WMLDXEAASA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC001474504283 937863574 /nfs/dbraw/zinc/86/35/74/937863574.db2.gz FCYYVOWNDQYWDV-WMLDXEAASA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC001474504283 937863576 /nfs/dbraw/zinc/86/35/76/937863576.db2.gz FCYYVOWNDQYWDV-WMLDXEAASA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC001474504283 937863578 /nfs/dbraw/zinc/86/35/78/937863578.db2.gz FCYYVOWNDQYWDV-WMLDXEAASA-N 2 1 290.451 3.288 20 10 CGCDMP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1O ZINC000293756499 372471661 /nfs/dbraw/zinc/47/16/61/372471661.db2.gz QVQOWAIIIVKTHY-AWEZNQCLSA-N 2 1 294.414 3.448 20 10 CGCDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550833 374023064 /nfs/dbraw/zinc/02/30/64/374023064.db2.gz CPUHVEYQZHFCIK-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550833 374023069 /nfs/dbraw/zinc/02/30/69/374023069.db2.gz CPUHVEYQZHFCIK-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550833 374023079 /nfs/dbraw/zinc/02/30/79/374023079.db2.gz CPUHVEYQZHFCIK-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180550833 374023086 /nfs/dbraw/zinc/02/30/86/374023086.db2.gz CPUHVEYQZHFCIK-CYBMUJFWSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1O ZINC000183315664 374402020 /nfs/dbraw/zinc/40/20/20/374402020.db2.gz WUGHAQMRAZATMD-INIZCTEOSA-N 2 1 287.407 3.418 20 10 CGCDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000286319105 380195732 /nfs/dbraw/zinc/19/57/32/380195732.db2.gz XNGVNUHWYSTCAO-CJNGLKHVSA-N 2 1 294.414 3.304 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000286319105 380195737 /nfs/dbraw/zinc/19/57/37/380195737.db2.gz XNGVNUHWYSTCAO-CJNGLKHVSA-N 2 1 294.414 3.304 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1O ZINC000184997413 262036695 /nfs/dbraw/zinc/03/66/95/262036695.db2.gz AUZQETQTTFSGKQ-VXGBXAGGSA-N 2 1 294.826 3.181 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(O)c1C ZINC000278916587 525926279 /nfs/dbraw/zinc/92/62/79/525926279.db2.gz HJUAIIOBOJUHOS-LSDHHAIUSA-N 2 1 299.418 3.119 20 10 CGCDMP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)C[NH+]1CCCCC1 ZINC000062747871 619282813 /nfs/dbraw/zinc/28/28/13/619282813.db2.gz GHLAQHLYTBCBHJ-ZIAGYGMSSA-N 2 1 294.414 3.304 20 10 CGCDMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000035052729 620265715 /nfs/dbraw/zinc/26/57/15/620265715.db2.gz QJRPVDVFWYIFDT-INIZCTEOSA-N 2 1 290.451 3.358 20 10 CGCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(F)ccc1O ZINC000227371737 623018009 /nfs/dbraw/zinc/01/80/09/623018009.db2.gz KWYQYNOYJLUUFM-UONOGXRCSA-N 2 1 294.414 3.446 20 10 CGCDMP C[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1O)[NH+]1CCCCC1 ZINC000186545684 626016676 /nfs/dbraw/zinc/01/66/76/626016676.db2.gz OPWTWRZCLPYGJE-ZIAGYGMSSA-N 2 1 294.414 3.446 20 10 CGCDMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000840809344 626192351 /nfs/dbraw/zinc/19/23/51/626192351.db2.gz JRUGZIQXLJPPOG-DOTOQJQBSA-N 2 1 290.451 3.473 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756450232 626707036 /nfs/dbraw/zinc/70/70/36/626707036.db2.gz RPZZDNPWTLOKDZ-VXGBXAGGSA-N 2 1 298.377 3.053 20 10 CGCDMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cc(Cl)ccc1O ZINC000775500099 628100708 /nfs/dbraw/zinc/10/07/08/628100708.db2.gz OKFUNOKHCGNMLK-CQSZACIVSA-N 2 1 293.798 3.291 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1O ZINC000862483647 629385768 /nfs/dbraw/zinc/38/57/68/629385768.db2.gz WEOFZSMVNWGBGM-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)ccc1O ZINC000809749176 630799089 /nfs/dbraw/zinc/79/90/89/630799089.db2.gz CIHKRAGZCYOLNG-UHFFFAOYSA-N 2 1 276.424 3.008 20 10 CGCDMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@H](C)[NH3+] ZINC000817978089 632268621 /nfs/dbraw/zinc/26/86/21/632268621.db2.gz VTMHZRXCHDPOBH-MJBXVCDLSA-N 2 1 293.430 3.202 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000817982472 632272879 /nfs/dbraw/zinc/27/28/79/632272879.db2.gz SSJZSOJYHUWEEV-KSSFIOAISA-N 2 1 289.467 3.311 20 10 CGCDMP CCC[N@@H+](CCCCCC[NH3+])Cc1ccccc1O ZINC000846218442 636161460 /nfs/dbraw/zinc/16/14/60/636161460.db2.gz OJHOZSROPLYEEZ-UHFFFAOYSA-N 2 1 264.413 3.123 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759707 634894005 /nfs/dbraw/zinc/89/40/05/634894005.db2.gz QOUGAPIIHRHZAM-LSDHHAIUSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759707 634894007 /nfs/dbraw/zinc/89/40/07/634894007.db2.gz QOUGAPIIHRHZAM-LSDHHAIUSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759707 634894010 /nfs/dbraw/zinc/89/40/10/634894010.db2.gz QOUGAPIIHRHZAM-LSDHHAIUSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(O)c1 ZINC000876896526 634923586 /nfs/dbraw/zinc/92/35/86/634923586.db2.gz GRVOTFZNRBSYMV-HNNXBMFYSA-N 2 1 276.424 3.055 20 10 CGCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000877115944 634988077 /nfs/dbraw/zinc/98/80/77/634988077.db2.gz XEUPJMXNQCUPAQ-MRXNPFEDSA-N 2 1 290.451 3.158 20 10 CGCDMP CCC[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CC[NH2+]CC1 ZINC000843044547 635549174 /nfs/dbraw/zinc/54/91/74/635549174.db2.gz IHXQEWSJSURHLN-UHFFFAOYSA-N 2 1 296.842 3.318 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000858490607 638740645 /nfs/dbraw/zinc/74/06/45/638740645.db2.gz KPASILMOAMVJRT-NVXWUHKLSA-N 2 1 290.451 3.473 20 10 CGCDMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC)Cc1ccccc1O ZINC001255968023 806801766 /nfs/dbraw/zinc/80/17/66/806801766.db2.gz VEJGMPDZBMZTLD-OAHLLOKOSA-N 2 1 278.440 3.335 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139673432 804248411 /nfs/dbraw/zinc/24/84/11/804248411.db2.gz GXYXDMLLDFKGQB-UHFFFAOYSA-N 2 1 291.483 3.225 20 10 CGCDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccccc1O ZINC001203558492 812393126 /nfs/dbraw/zinc/39/31/26/812393126.db2.gz KLSFHQNRHCNDRL-DLBZAZTESA-N 2 1 288.435 3.231 20 10 CGCDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC001203558492 812393131 /nfs/dbraw/zinc/39/31/31/812393131.db2.gz KLSFHQNRHCNDRL-DLBZAZTESA-N 2 1 288.435 3.231 20 10 CGCDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC001203558492 812393139 /nfs/dbraw/zinc/39/31/39/812393139.db2.gz KLSFHQNRHCNDRL-DLBZAZTESA-N 2 1 288.435 3.231 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205324842 812954863 /nfs/dbraw/zinc/95/48/63/812954863.db2.gz GVUPGQUEWARTBJ-OAHLLOKOSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205324842 812954866 /nfs/dbraw/zinc/95/48/66/812954866.db2.gz GVUPGQUEWARTBJ-OAHLLOKOSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c2ccccc2n1C ZINC001205618385 813029564 /nfs/dbraw/zinc/02/95/64/813029564.db2.gz VQGSCIKNLGTZCE-ZBFHGGJFSA-N 2 1 299.462 3.294 20 10 CGCDMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(O)c1 ZINC001205652840 813043139 /nfs/dbraw/zinc/04/31/39/813043139.db2.gz RIUYMPHQFJXNPQ-HOCLYGCPSA-N 2 1 290.451 3.322 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805845 813085349 /nfs/dbraw/zinc/08/53/49/813085349.db2.gz SEDSTXGNDWANIM-QAPCUYQASA-N 2 1 289.467 3.092 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805845 813085359 /nfs/dbraw/zinc/08/53/59/813085359.db2.gz SEDSTXGNDWANIM-QAPCUYQASA-N 2 1 289.467 3.092 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(O)c1 ZINC001206573150 813359808 /nfs/dbraw/zinc/35/98/08/813359808.db2.gz IRFCGTPRLPWEHG-GOSISDBHSA-N 2 1 290.451 3.467 20 10 CGCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001206639587 813381884 /nfs/dbraw/zinc/38/18/84/813381884.db2.gz FINHCCKASAKQNS-CQSZACIVSA-N 2 1 284.403 3.106 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206768020 813429916 /nfs/dbraw/zinc/42/99/16/813429916.db2.gz GSKGFMQOSJQGDK-WBVHZDCISA-N 2 1 289.467 3.092 20 10 CGCDMP CC[N@@H+](CCn1ccnc1)Cc1c(O)ccc2ccccc21 ZINC001231589454 818130313 /nfs/dbraw/zinc/13/03/13/818130313.db2.gz JUYHMLYFEVCLCH-UHFFFAOYSA-N 2 1 295.386 3.264 20 10 CGCDMP Cc1c(C[N@@H+](C)CCC2CC[NH2+]CC2)c2ccccc2n1C ZINC001235716721 819149713 /nfs/dbraw/zinc/14/97/13/819149713.db2.gz HYVARKVSOHOPAI-UHFFFAOYSA-N 2 1 299.462 3.308 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925014 819222701 /nfs/dbraw/zinc/22/27/01/819222701.db2.gz FZAUNWSGAMOXHX-SFHVURJKSA-N 2 1 297.446 3.407 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c(O)c1 ZINC001235925183 819223343 /nfs/dbraw/zinc/22/33/43/819223343.db2.gz DMCKRNPCHKLKJQ-HNNXBMFYSA-N 2 1 276.424 3.003 20 10 CGCDMP C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219645 819386630 /nfs/dbraw/zinc/38/66/30/819386630.db2.gz XCVBUINXDAVXFY-HZPDHXFCSA-N 2 1 290.451 3.391 20 10 CGCDMP Oc1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc2ccccc21 ZINC001237407550 819744866 /nfs/dbraw/zinc/74/48/66/819744866.db2.gz XZUYQLTYEWKXPL-QAPCUYQASA-N 2 1 296.414 3.119 20 10 CGCDMP Oc1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc2ccccc21 ZINC001237407549 819744875 /nfs/dbraw/zinc/74/48/75/819744875.db2.gz XZUYQLTYEWKXPL-MAUKXSAKSA-N 2 1 296.414 3.119 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000293687358 372450750 /nfs/dbraw/zinc/45/07/50/372450750.db2.gz KSZMWJWOJPWGKO-HOTGVXAUSA-N 2 1 290.451 3.392 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1O ZINC000375887846 379514990 /nfs/dbraw/zinc/51/49/90/379514990.db2.gz JUWAFARBXKMDFD-FMKPAKJESA-N 2 1 292.398 3.199 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1O ZINC000375887846 379515002 /nfs/dbraw/zinc/51/50/02/379515002.db2.gz JUWAFARBXKMDFD-FMKPAKJESA-N 2 1 292.398 3.199 20 10 CGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185346367 262051595 /nfs/dbraw/zinc/05/15/95/262051595.db2.gz CLSVSZDIUZRECC-UONOGXRCSA-N 2 1 287.407 3.192 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1O ZINC000185650708 262064347 /nfs/dbraw/zinc/06/43/47/262064347.db2.gz DCMNNAQYWWXELE-YUTCNCBUSA-N 2 1 280.387 3.055 20 10 CGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423080334 330168736 /nfs/dbraw/zinc/16/87/36/330168736.db2.gz AALFUZKSUPBUDR-ZDUSSCGKSA-N 2 1 294.402 3.145 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(O)c1C ZINC000278916582 525730652 /nfs/dbraw/zinc/73/06/52/525730652.db2.gz HJUAIIOBOJUHOS-HUUCEWRRSA-N 2 1 299.418 3.119 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000163234966 620180325 /nfs/dbraw/zinc/18/03/25/620180325.db2.gz LNUIWBKHZZEBIQ-JKSUJKDBSA-N 2 1 289.467 3.135 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(N(C)C)cc1 ZINC000163264526 620210477 /nfs/dbraw/zinc/21/04/77/620210477.db2.gz CBBSQMSMCWQQHP-YJBOKZPZSA-N 2 1 289.467 3.135 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1O ZINC000841745100 620351268 /nfs/dbraw/zinc/35/12/68/620351268.db2.gz NFKUIIUOAGJEEF-VXGBXAGGSA-N 2 1 294.826 3.181 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1O ZINC000841745100 620351272 /nfs/dbraw/zinc/35/12/72/620351272.db2.gz NFKUIIUOAGJEEF-VXGBXAGGSA-N 2 1 294.826 3.181 20 10 CGCDMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000898215320 620488883 /nfs/dbraw/zinc/48/88/83/620488883.db2.gz LGJOTNPHWSCKAN-GFCCVEGCSA-N 2 1 282.815 3.008 20 10 CGCDMP CN1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000898215320 620488886 /nfs/dbraw/zinc/48/88/86/620488886.db2.gz LGJOTNPHWSCKAN-GFCCVEGCSA-N 2 1 282.815 3.008 20 10 CGCDMP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000903892070 621824659 /nfs/dbraw/zinc/82/46/59/621824659.db2.gz GPWGCFQXMICSSI-CYBMUJFWSA-N 2 1 298.377 3.119 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756615964 626720732 /nfs/dbraw/zinc/72/07/32/626720732.db2.gz XTYIZTRPKRBKBC-CZXHOFHRSA-N 2 1 292.398 3.152 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756615964 626720735 /nfs/dbraw/zinc/72/07/35/626720735.db2.gz XTYIZTRPKRBKBC-CZXHOFHRSA-N 2 1 292.398 3.152 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000808698962 630666539 /nfs/dbraw/zinc/66/65/39/630666539.db2.gz OIOWOEUNNFHURP-DYEKYZERSA-N 2 1 296.842 3.487 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000808698962 630666542 /nfs/dbraw/zinc/66/65/42/630666542.db2.gz OIOWOEUNNFHURP-DYEKYZERSA-N 2 1 296.842 3.487 20 10 CGCDMP Cc1ccc(O)c(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809738723 630794760 /nfs/dbraw/zinc/79/47/60/630794760.db2.gz GRFVDIBZLJDLHV-UHFFFAOYSA-N 2 1 298.430 3.394 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N(C)C)c(F)c1 ZINC000809757833 630801030 /nfs/dbraw/zinc/80/10/30/630801030.db2.gz YTFHWVBJUWFWRQ-UHFFFAOYSA-N 2 1 295.446 3.055 20 10 CGCDMP Oc1cccc2c1[C@H]([NH2+]CC[NH2+]C1CCCCCC1)CC2 ZINC000817961000 632256644 /nfs/dbraw/zinc/25/66/44/632256644.db2.gz VVPYFAGAGXTGLY-MRXNPFEDSA-N 2 1 288.435 3.282 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000817961653 632257712 /nfs/dbraw/zinc/25/77/12/632257712.db2.gz BVHDCIJFYXURSD-KGLIPLIRSA-N 2 1 264.413 3.177 20 10 CGCDMP C[C@@H](C[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817970168 632263159 /nfs/dbraw/zinc/26/31/59/632263159.db2.gz NAJIMGJXWNCOGN-YOEHRIQHSA-N 2 1 284.403 3.003 20 10 CGCDMP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1O ZINC000817976740 632267793 /nfs/dbraw/zinc/26/77/93/632267793.db2.gz SSJPHMCYBPLQBS-SMDDNHRTSA-N 2 1 268.376 3.090 20 10 CGCDMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817978088 632269265 /nfs/dbraw/zinc/26/92/65/632269265.db2.gz VTMHZRXCHDPOBH-MCIONIFRSA-N 2 1 293.430 3.202 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1Cl ZINC000824862700 633302258 /nfs/dbraw/zinc/30/22/58/633302258.db2.gz KCYCSEFOXBQRNC-TZMCWYRMSA-N 2 1 296.842 3.269 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761188 634893631 /nfs/dbraw/zinc/89/36/31/634893631.db2.gz ZSLXKSYYEGXGCP-GOEBONIOSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761188 634893637 /nfs/dbraw/zinc/89/36/37/634893637.db2.gz ZSLXKSYYEGXGCP-GOEBONIOSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876761188 634893641 /nfs/dbraw/zinc/89/36/41/634893641.db2.gz ZSLXKSYYEGXGCP-GOEBONIOSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)CC[C@H]1[NH3+] ZINC000843053408 635551772 /nfs/dbraw/zinc/55/17/72/635551772.db2.gz LQPAAAMTJDSILW-SJLPKXTDSA-N 2 1 289.467 3.092 20 10 CGCDMP CC[C@H]([NH2+]CCCCCC[NH3+])c1ccc(F)cc1O ZINC000843340344 635648418 /nfs/dbraw/zinc/64/84/18/635648418.db2.gz BGSKMOKXOBFLJZ-AWEZNQCLSA-N 2 1 268.376 3.091 20 10 CGCDMP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cc1O ZINC000843343720 635651360 /nfs/dbraw/zinc/65/13/60/635651360.db2.gz FZPAPDOBZBMONP-MRXNPFEDSA-N 2 1 288.366 3.231 20 10 CGCDMP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000128314459 635956203 /nfs/dbraw/zinc/95/62/03/635956203.db2.gz VBOSPKJRTDAAOM-DOMZBBRYSA-N 2 1 294.826 3.010 20 10 CGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000128314459 635956208 /nfs/dbraw/zinc/95/62/08/635956208.db2.gz VBOSPKJRTDAAOM-DOMZBBRYSA-N 2 1 294.826 3.010 20 10 CGCDMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001170113557 807761644 /nfs/dbraw/zinc/76/16/44/807761644.db2.gz RFMZIGVCAQWPRO-WMLDXEAASA-N 2 1 288.435 3.135 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C(C)C)ccc1O ZINC001181185827 810041840 /nfs/dbraw/zinc/04/18/40/810041840.db2.gz ZALJNXONUQMXKB-UHFFFAOYSA-N 2 1 287.407 3.200 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205117329 812874835 /nfs/dbraw/zinc/87/48/35/812874835.db2.gz NYANCZQWZJINFL-HNNXBMFYSA-N 2 1 276.424 3.003 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205635995 813037087 /nfs/dbraw/zinc/03/70/87/813037087.db2.gz BQLPOSMDYXVFDE-GOEBONIOSA-N 2 1 298.430 3.352 20 10 CGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c(O)c1 ZINC001205938364 813140749 /nfs/dbraw/zinc/14/07/49/813140749.db2.gz GVQHEBMHFYJDHN-OAHLLOKOSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c(O)c1 ZINC001205938364 813140751 /nfs/dbraw/zinc/14/07/51/813140751.db2.gz GVQHEBMHFYJDHN-OAHLLOKOSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206582260 813362518 /nfs/dbraw/zinc/36/25/18/813362518.db2.gz NDPZXFXEIUBNQR-SFHVURJKSA-N 2 1 289.467 3.105 20 10 CGCDMP C[NH2+]C1CC[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001235788636 819168200 /nfs/dbraw/zinc/16/82/00/819168200.db2.gz KHVHHVAPCKASIP-UHFFFAOYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1O ZINC001236212888 819373830 /nfs/dbraw/zinc/37/38/30/819373830.db2.gz AIDAMCXWINRQBP-KBPBESRZSA-N 2 1 282.815 3.056 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1O ZINC001236212888 819373836 /nfs/dbraw/zinc/37/38/36/819373836.db2.gz AIDAMCXWINRQBP-KBPBESRZSA-N 2 1 282.815 3.056 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236224829 819390908 /nfs/dbraw/zinc/39/09/08/819390908.db2.gz XMGSOVGCAORISF-UHFFFAOYSA-N 2 1 289.467 3.107 20 10 CGCDMP CC[N@H+](Cc1ccc(C(C)(C)C)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236410702 819458039 /nfs/dbraw/zinc/45/80/39/819458039.db2.gz JJASADMWJJUMGB-AWEZNQCLSA-N 2 1 290.451 3.121 20 10 CGCDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001167841950 927030929 /nfs/dbraw/zinc/03/09/29/927030929.db2.gz VEGXLHDSVPIORO-OAHLLOKOSA-N 2 1 290.451 3.261 20 10 CGCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001321023140 934136315 /nfs/dbraw/zinc/13/63/15/934136315.db2.gz KLOTVBJOKVTLIA-UKRRQHHQSA-N 2 1 299.418 3.434 20 10 CGCDMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1O ZINC000020189263 171054238 /nfs/dbraw/zinc/05/42/38/171054238.db2.gz SLSVFFLESLVVQQ-MRXNPFEDSA-N 2 1 276.424 3.306 20 10 CGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000092165507 327188801 /nfs/dbraw/zinc/18/88/01/327188801.db2.gz KXIVBZPIJMHTEM-UHFFFAOYSA-N 2 1 290.451 3.315 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1O ZINC000280011065 522867309 /nfs/dbraw/zinc/86/73/09/522867309.db2.gz GRTHFTUIVGWWEJ-RHSMWYFYSA-N 2 1 288.435 3.226 20 10 CGCDMP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1O ZINC000158079122 524432749 /nfs/dbraw/zinc/43/27/49/524432749.db2.gz HLYILNJJYWIZNY-OAHLLOKOSA-N 2 1 276.424 3.055 20 10 CGCDMP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1N(C)C ZINC000292750475 524677726 /nfs/dbraw/zinc/67/77/26/524677726.db2.gz ICSGGAHPQCMATJ-UHFFFAOYSA-N 2 1 289.467 3.023 20 10 CGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959938 621837726 /nfs/dbraw/zinc/83/77/26/621837726.db2.gz SGZHRIUDPZZYCX-MRXNPFEDSA-N 2 1 294.826 3.011 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000158179898 623011615 /nfs/dbraw/zinc/01/16/15/623011615.db2.gz LHADGTQBCDQMAF-YJBOKZPZSA-N 2 1 289.467 3.135 20 10 CGCDMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000756550570 626714087 /nfs/dbraw/zinc/71/40/87/626714087.db2.gz IYLPKEIKYHQCAZ-YRGRVCCFSA-N 2 1 292.398 3.011 20 10 CGCDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(C)cc1O ZINC000794794769 629577479 /nfs/dbraw/zinc/57/74/79/629577479.db2.gz QWPCOFXZKCVLSC-MRXNPFEDSA-N 2 1 278.440 3.472 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C)cc1O ZINC000794802848 629579491 /nfs/dbraw/zinc/57/94/91/629579491.db2.gz OYANOLJYVWUYCM-YCPHGPKFSA-N 2 1 276.424 3.224 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C)cc1O ZINC000794802848 629579498 /nfs/dbraw/zinc/57/94/98/629579498.db2.gz OYANOLJYVWUYCM-YCPHGPKFSA-N 2 1 276.424 3.224 20 10 CGCDMP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1O ZINC000796675978 629813443 /nfs/dbraw/zinc/81/34/43/629813443.db2.gz ONKGRGXWRLDYFJ-OAHLLOKOSA-N 2 1 280.387 3.058 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1O ZINC000808673113 630662991 /nfs/dbraw/zinc/66/29/91/630662991.db2.gz XSOPMCVBGQCNQE-NSHDSACASA-N 2 1 282.815 3.099 20 10 CGCDMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808673081 630663316 /nfs/dbraw/zinc/66/33/16/630663316.db2.gz WTLPRGLSHHQPNM-GFCCVEGCSA-N 2 1 296.842 3.489 20 10 CGCDMP C[N@H+](Cc1ccc2ccccc2c1O)CC1CC[NH+](C)CC1 ZINC000816503993 631996212 /nfs/dbraw/zinc/99/62/12/631996212.db2.gz UZSCFYJACZEZAX-UHFFFAOYSA-N 2 1 298.430 3.319 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(O)c1C ZINC000817958973 632254860 /nfs/dbraw/zinc/25/48/60/632254860.db2.gz NVOPHVCXGIIONT-UONOGXRCSA-N 2 1 264.413 3.033 20 10 CGCDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894764 633302766 /nfs/dbraw/zinc/30/27/66/633302766.db2.gz JPYNDALFSSDRMM-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894764 633302773 /nfs/dbraw/zinc/30/27/73/633302773.db2.gz JPYNDALFSSDRMM-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894764 633302776 /nfs/dbraw/zinc/30/27/76/633302776.db2.gz JPYNDALFSSDRMM-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824894764 633302783 /nfs/dbraw/zinc/30/27/83/633302783.db2.gz JPYNDALFSSDRMM-ZDUSSCGKSA-N 2 1 296.842 3.128 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1O ZINC000873260868 634308499 /nfs/dbraw/zinc/30/84/99/634308499.db2.gz JCXDOVRLNJIXKE-UZMCECQYSA-N 2 1 292.398 3.103 20 10 CGCDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC000876769936 634897053 /nfs/dbraw/zinc/89/70/53/634897053.db2.gz DKHNZJCOQDXEKY-INIZCTEOSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1cccc(O)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000877525067 635072012 /nfs/dbraw/zinc/07/20/12/635072012.db2.gz PMCWJONXZWBWFY-UHFFFAOYSA-N 2 1 298.430 3.394 20 10 CGCDMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841088016 635119759 /nfs/dbraw/zinc/11/97/59/635119759.db2.gz UXSIOUQSWQZNEG-KRWDZBQOSA-N 2 1 289.467 3.140 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000193012661 640425824 /nfs/dbraw/zinc/42/58/24/640425824.db2.gz DNSCSTPWNSWFFA-IEBWSBKVSA-N 2 1 299.462 3.003 20 10 CGCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093693230 640780310 /nfs/dbraw/zinc/78/03/10/640780310.db2.gz LDCMHEFZCZIJLP-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093693230 640780321 /nfs/dbraw/zinc/78/03/21/640780321.db2.gz LDCMHEFZCZIJLP-ZDUSSCGKSA-N 2 1 296.842 3.209 20 10 CGCDMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001205136322 812882913 /nfs/dbraw/zinc/88/29/13/812882913.db2.gz YEHLTZBVAPBZOJ-KBXCAEBGSA-N 2 1 297.446 3.121 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CCC([NH2+]C)CC1 ZINC001246920037 804600626 /nfs/dbraw/zinc/60/06/26/804600626.db2.gz IOJRTDPYMLYACJ-UHFFFAOYSA-N 2 1 289.467 3.105 20 10 CGCDMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1O ZINC001172105107 808173971 /nfs/dbraw/zinc/17/39/71/808173971.db2.gz GUNGJEUHPCLYJF-APIJFGDWSA-N 2 1 274.408 3.058 20 10 CGCDMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1O ZINC001172105107 808173975 /nfs/dbraw/zinc/17/39/75/808173975.db2.gz GUNGJEUHPCLYJF-APIJFGDWSA-N 2 1 274.408 3.058 20 10 CGCDMP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276168676 808990876 /nfs/dbraw/zinc/99/08/76/808990876.db2.gz HVKPNQGZTJHGMP-GOSISDBHSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276168676 808990881 /nfs/dbraw/zinc/99/08/81/808990881.db2.gz HVKPNQGZTJHGMP-GOSISDBHSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276168676 808990888 /nfs/dbraw/zinc/99/08/88/808990888.db2.gz HVKPNQGZTJHGMP-GOSISDBHSA-N 2 1 288.435 3.008 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1O ZINC001205651909 813041330 /nfs/dbraw/zinc/04/13/30/813041330.db2.gz LPWTXCRSQWCKDV-AAEUAGOBSA-N 2 1 296.842 3.161 20 10 CGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206318909 813287526 /nfs/dbraw/zinc/28/75/26/813287526.db2.gz VCLCEHCXQRXPMC-INIZCTEOSA-N 2 1 296.842 3.305 20 10 CGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001206327457 813289556 /nfs/dbraw/zinc/28/95/56/813289556.db2.gz WQXGYPAFSAKBKU-IBGZPJMESA-N 2 1 298.430 3.496 20 10 CGCDMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1O ZINC001209452212 814048324 /nfs/dbraw/zinc/04/83/24/814048324.db2.gz IECDZGDZAHHMLL-UHFFFAOYSA-N 2 1 276.424 3.090 20 10 CGCDMP CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222360559 816418993 /nfs/dbraw/zinc/41/89/93/816418993.db2.gz RYCVEBHWVJWUNU-GOSISDBHSA-N 2 1 288.435 3.234 20 10 CGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(O)c1 ZINC001222360559 816418999 /nfs/dbraw/zinc/41/89/99/816418999.db2.gz RYCVEBHWVJWUNU-GOSISDBHSA-N 2 1 288.435 3.234 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC001231870534 818194152 /nfs/dbraw/zinc/19/41/52/818194152.db2.gz HTHWBNCMHNMOJV-UHFFFAOYSA-N 2 1 296.842 3.272 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC001231870534 818194154 /nfs/dbraw/zinc/19/41/54/818194154.db2.gz HTHWBNCMHNMOJV-UHFFFAOYSA-N 2 1 296.842 3.272 20 10 CGCDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001235674352 819135095 /nfs/dbraw/zinc/13/50/95/819135095.db2.gz SFLRSADWUDRQAY-QGZVFWFLSA-N 2 1 297.446 3.265 20 10 CGCDMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053039 819289533 /nfs/dbraw/zinc/28/95/33/819289533.db2.gz XREMCKAVXGODRW-RHSMWYFYSA-N 2 1 296.414 3.228 20 10 CGCDMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053039 819289538 /nfs/dbraw/zinc/28/95/38/819289538.db2.gz XREMCKAVXGODRW-RHSMWYFYSA-N 2 1 296.414 3.228 20 10 CGCDMP C[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215687 819380410 /nfs/dbraw/zinc/38/04/10/819380410.db2.gz IBRPQXABWZTIDP-SJORKVTESA-N 2 1 284.403 3.247 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001329150541 935191444 /nfs/dbraw/zinc/19/14/44/935191444.db2.gz YNBXVPLVQMVJTG-IPYPFGDCSA-N 2 1 286.419 3.123 20 10 CGCDMP CC[C@H]1C[N@@H+](Cc2cc(C(C)C)ccc2O)CC[C@@H]1[NH3+] ZINC001577279267 962525266 /nfs/dbraw/zinc/52/52/66/962525266.db2.gz BODVPKJJWGYELN-BBRMVZONSA-N 2 1 276.424 3.075 20 10 CGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(O)c1 ZINC000294436767 372654846 /nfs/dbraw/zinc/65/48/46/372654846.db2.gz VBIGSIBCWOODKL-CABCVRRESA-N 2 1 299.418 3.119 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1C ZINC000296288495 373081629 /nfs/dbraw/zinc/08/16/29/373081629.db2.gz FHTTWFPRXMBDFX-HNSVSWJLSA-N 2 1 288.435 3.285 20 10 CGCDMP Cc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000180439303 374006663 /nfs/dbraw/zinc/00/66/63/374006663.db2.gz RDQFXFJAHWNPHI-MRXNPFEDSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000180439303 374006669 /nfs/dbraw/zinc/00/66/69/374006669.db2.gz RDQFXFJAHWNPHI-MRXNPFEDSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000362238467 381915507 /nfs/dbraw/zinc/91/55/07/381915507.db2.gz QQKDKPZWUZRKID-HUUCEWRRSA-N 2 1 294.826 3.070 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1C ZINC000363846383 382258620 /nfs/dbraw/zinc/25/86/20/382258620.db2.gz CHXRLYXXLRSQNT-XHSDSOJGSA-N 2 1 288.435 3.286 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000185112575 262041988 /nfs/dbraw/zinc/04/19/88/262041988.db2.gz IHRNWMBOLNYFFV-GJZGRUSLSA-N 2 1 276.424 3.083 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000037292608 290019193 /nfs/dbraw/zinc/01/91/93/290019193.db2.gz NJUWQDIQQFJUAB-BMGDILEWSA-N 2 1 287.451 3.030 20 10 CGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000037292608 290019194 /nfs/dbraw/zinc/01/91/94/290019194.db2.gz NJUWQDIQQFJUAB-BMGDILEWSA-N 2 1 287.451 3.030 20 10 CGCDMP Cc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1O ZINC000158025322 524385645 /nfs/dbraw/zinc/38/56/45/524385645.db2.gz NCYPSRXSCKGXNL-UHFFFAOYSA-N 2 1 288.435 3.151 20 10 CGCDMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841743891 620344424 /nfs/dbraw/zinc/34/44/24/620344424.db2.gz KPKZZVGUCZDXES-LBPRGKRZSA-N 2 1 284.831 3.428 20 10 CGCDMP CC[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000151671203 623555956 /nfs/dbraw/zinc/55/59/56/623555956.db2.gz SYSYBRMROLJYDE-RDJZCZTQSA-N 2 1 289.467 3.278 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756450224 626706814 /nfs/dbraw/zinc/70/68/14/626706814.db2.gz RPZZDNPWTLOKDZ-NWDGAFQWSA-N 2 1 298.377 3.053 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165936 627300841 /nfs/dbraw/zinc/30/08/41/627300841.db2.gz MTULGFBMKLCAQU-LESCRADOSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000766165936 627300845 /nfs/dbraw/zinc/30/08/45/627300845.db2.gz MTULGFBMKLCAQU-LESCRADOSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469926 627556658 /nfs/dbraw/zinc/55/66/58/627556658.db2.gz HSHABHOMDALFDV-DOTOQJQBSA-N 2 1 290.451 3.314 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469926 627556662 /nfs/dbraw/zinc/55/66/62/627556662.db2.gz HSHABHOMDALFDV-DOTOQJQBSA-N 2 1 290.451 3.314 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000769469926 627556665 /nfs/dbraw/zinc/55/66/65/627556665.db2.gz HSHABHOMDALFDV-DOTOQJQBSA-N 2 1 290.451 3.314 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470736 627557308 /nfs/dbraw/zinc/55/73/08/627557308.db2.gz OIFZAEJYEJVRKX-ZBFHGGJFSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470736 627557311 /nfs/dbraw/zinc/55/73/11/627557311.db2.gz OIFZAEJYEJVRKX-ZBFHGGJFSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470736 627557315 /nfs/dbraw/zinc/55/73/15/627557315.db2.gz OIFZAEJYEJVRKX-ZBFHGGJFSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000808709388 630667595 /nfs/dbraw/zinc/66/75/95/630667595.db2.gz FOZBGMLSNGHIRE-LBPRGKRZSA-N 2 1 294.826 3.267 20 10 CGCDMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958178 632253845 /nfs/dbraw/zinc/25/38/45/632253845.db2.gz IMYVHLFOJMTCJF-NVXWUHKLSA-N 2 1 277.456 3.167 20 10 CGCDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C)cc1O ZINC000817981409 632271810 /nfs/dbraw/zinc/27/18/10/632271810.db2.gz JAIHIJQRSXCSGN-JKSUJKDBSA-N 2 1 276.424 3.259 20 10 CGCDMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000873060773 634239020 /nfs/dbraw/zinc/23/90/20/634239020.db2.gz MYBUGNYAHSMSLR-WBVHZDCISA-N 2 1 290.451 3.356 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761187 634894462 /nfs/dbraw/zinc/89/44/62/634894462.db2.gz ZSLXKSYYEGXGCP-GDBMZVCRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761187 634894464 /nfs/dbraw/zinc/89/44/64/634894464.db2.gz ZSLXKSYYEGXGCP-GDBMZVCRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C[C@H]1C ZINC000876761187 634894466 /nfs/dbraw/zinc/89/44/66/634894466.db2.gz ZSLXKSYYEGXGCP-GDBMZVCRSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000840952491 635092179 /nfs/dbraw/zinc/09/21/79/635092179.db2.gz BHBXVSIAQNWAAP-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841744611 635221634 /nfs/dbraw/zinc/22/16/34/635221634.db2.gz JGMKXRJWXRLLHE-CHWSQXEVSA-N 2 1 296.842 3.428 20 10 CGCDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841744611 635221627 /nfs/dbraw/zinc/22/16/27/635221627.db2.gz JGMKXRJWXRLLHE-CHWSQXEVSA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1O ZINC000843124293 635560391 /nfs/dbraw/zinc/56/03/91/635560391.db2.gz XKOMXBMHYAIKIZ-CQSZACIVSA-N 2 1 282.815 3.057 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000844902867 635981006 /nfs/dbraw/zinc/98/10/06/635981006.db2.gz VCGYXRKQJQGHBT-RDTXWAMCSA-N 2 1 289.467 3.010 20 10 CGCDMP CCc1cccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c1O ZINC000848888210 636676152 /nfs/dbraw/zinc/67/61/52/636676152.db2.gz OWIPVJCZKUIRDB-OAHLLOKOSA-N 2 1 290.451 3.118 20 10 CGCDMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001137854163 803785031 /nfs/dbraw/zinc/78/50/31/803785031.db2.gz KVIJARCTJLHDOZ-UHFFFAOYSA-N 2 1 299.462 3.478 20 10 CGCDMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001137854163 803785041 /nfs/dbraw/zinc/78/50/41/803785041.db2.gz KVIJARCTJLHDOZ-UHFFFAOYSA-N 2 1 299.462 3.478 20 10 CGCDMP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246919248 804601130 /nfs/dbraw/zinc/60/11/30/804601130.db2.gz GIVKUFBEMPDRFP-AEFFLSMTSA-N 2 1 289.467 3.105 20 10 CGCDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccccc1O ZINC001203558493 812393721 /nfs/dbraw/zinc/39/37/21/812393721.db2.gz KLSFHQNRHCNDRL-IRXDYDNUSA-N 2 1 288.435 3.231 20 10 CGCDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC001203558493 812393730 /nfs/dbraw/zinc/39/37/30/812393730.db2.gz KLSFHQNRHCNDRL-IRXDYDNUSA-N 2 1 288.435 3.231 20 10 CGCDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC001203558493 812393737 /nfs/dbraw/zinc/39/37/37/812393737.db2.gz KLSFHQNRHCNDRL-IRXDYDNUSA-N 2 1 288.435 3.231 20 10 CGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)c(O)c1 ZINC001204947364 812793347 /nfs/dbraw/zinc/79/33/47/812793347.db2.gz XTVNMFMPNLVESC-KRWDZBQOSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)c(O)c1 ZINC001204947364 812793349 /nfs/dbraw/zinc/79/33/49/812793349.db2.gz XTVNMFMPNLVESC-KRWDZBQOSA-N 2 1 276.424 3.003 20 10 CGCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001205288595 812931428 /nfs/dbraw/zinc/93/14/28/812931428.db2.gz LUPYAYYDDOWXDI-GOSISDBHSA-N 2 1 284.403 3.249 20 10 CGCDMP Cc1c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c2ccccc2n1C ZINC001205902081 813124559 /nfs/dbraw/zinc/12/45/59/813124559.db2.gz HQUFBXUOOARFEE-ZFWWWQNUSA-N 2 1 285.435 3.046 20 10 CGCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001205913898 813131739 /nfs/dbraw/zinc/13/17/39/813131739.db2.gz KLYXUCPOSNTVOB-ZFWWWQNUSA-N 2 1 284.403 3.105 20 10 CGCDMP Cc1cc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c(C)n1-c1ccccc1 ZINC001210474617 814479620 /nfs/dbraw/zinc/47/96/20/814479620.db2.gz HIEJHGXQZSQGCX-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1cc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c(C)n1-c1ccccc1 ZINC001210474617 814479624 /nfs/dbraw/zinc/47/96/24/814479624.db2.gz HIEJHGXQZSQGCX-HNNXBMFYSA-N 2 1 297.446 3.278 20 10 CGCDMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236421324 819467906 /nfs/dbraw/zinc/46/79/06/819467906.db2.gz UFLFXDPXFDPGMA-IUODEOHRSA-N 2 1 276.424 3.001 20 10 CGCDMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001236421324 819467909 /nfs/dbraw/zinc/46/79/09/819467909.db2.gz UFLFXDPXFDPGMA-IUODEOHRSA-N 2 1 276.424 3.001 20 10 CGCDMP CC(C)[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001236527195 819519479 /nfs/dbraw/zinc/51/94/79/819519479.db2.gz IGRMVNDQMWGKRE-OAHLLOKOSA-N 2 1 284.403 3.118 20 10 CGCDMP CC(C)[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001236527195 819519482 /nfs/dbraw/zinc/51/94/82/819519482.db2.gz IGRMVNDQMWGKRE-OAHLLOKOSA-N 2 1 284.403 3.118 20 10 CGCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2cc1O ZINC001236842902 819618199 /nfs/dbraw/zinc/61/81/99/819618199.db2.gz ZZTMEPYSBOLXAL-UHFFFAOYSA-N 2 1 298.430 3.463 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237055296 819655629 /nfs/dbraw/zinc/65/56/29/819655629.db2.gz CHSPYMZQLJUPMF-GOSISDBHSA-N 2 1 289.467 3.094 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC001323828878 934429006 /nfs/dbraw/zinc/42/90/06/934429006.db2.gz CPYQLDVLVRZKMT-GJZGRUSLSA-N 2 1 276.424 3.083 20 10 CGCDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001474308871 937850648 /nfs/dbraw/zinc/85/06/48/937850648.db2.gz IJOWCIOSAUOYQS-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001474308871 937850649 /nfs/dbraw/zinc/85/06/49/937850649.db2.gz IJOWCIOSAUOYQS-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474308871 937850650 /nfs/dbraw/zinc/85/06/50/937850650.db2.gz IJOWCIOSAUOYQS-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474308871 937850651 /nfs/dbraw/zinc/85/06/51/937850651.db2.gz IJOWCIOSAUOYQS-CYBMUJFWSA-N 2 1 296.842 3.209 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1O ZINC000124568001 370926310 /nfs/dbraw/zinc/92/63/10/370926310.db2.gz ZKPCEAXNLUIAGZ-CZUORRHYSA-N 2 1 287.407 3.274 20 10 CGCDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271837640 378510173 /nfs/dbraw/zinc/51/01/73/378510173.db2.gz QCKINGQFZNGJJS-UHFFFAOYSA-N 2 1 299.462 3.028 20 10 CGCDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273620108 378757356 /nfs/dbraw/zinc/75/73/56/378757356.db2.gz YUJQZAXYBZIWNB-CYBMUJFWSA-N 2 1 299.418 3.127 20 10 CGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173489674 392626905 /nfs/dbraw/zinc/62/69/05/392626905.db2.gz NJWZHXQYVCNDSQ-OAHLLOKOSA-N 2 1 298.430 3.319 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000020189456 171055900 /nfs/dbraw/zinc/05/59/00/171055900.db2.gz UFBUPOHMIFZPMV-CQSZACIVSA-N 2 1 276.424 3.224 20 10 CGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185346820 262051472 /nfs/dbraw/zinc/05/14/72/262051472.db2.gz MTEYCLOJJHGKKZ-KGLIPLIRSA-N 2 1 287.407 3.192 20 10 CGCDMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000773887552 627924748 /nfs/dbraw/zinc/92/47/48/627924748.db2.gz FVZUAKZOPCREFI-QGZVFWFLSA-N 2 1 289.467 3.059 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000815578417 631799514 /nfs/dbraw/zinc/79/95/14/631799514.db2.gz NVMGPCKXRAMTQJ-GJZGRUSLSA-N 2 1 276.424 3.001 20 10 CGCDMP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000817958944 632255144 /nfs/dbraw/zinc/25/51/44/632255144.db2.gz NDVDIFDORSTBAN-CJNGLKHVSA-N 2 1 276.424 3.259 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(O)c1 ZINC000817960023 632256114 /nfs/dbraw/zinc/25/61/14/632256114.db2.gz WOPJBONIIOAMSI-XJKSGUPXSA-N 2 1 276.424 3.259 20 10 CGCDMP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817983905 632273299 /nfs/dbraw/zinc/27/32/99/632273299.db2.gz LCJIODJEOKTCJO-CZUORRHYSA-N 2 1 288.435 3.064 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000843056426 635553104 /nfs/dbraw/zinc/55/31/04/635553104.db2.gz JPFQHXBTWDYDQA-CQSZACIVSA-N 2 1 284.831 3.159 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000843056426 635553107 /nfs/dbraw/zinc/55/31/07/635553107.db2.gz JPFQHXBTWDYDQA-CQSZACIVSA-N 2 1 284.831 3.159 20 10 CGCDMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1c(O)cccc1F ZINC000886491626 637540517 /nfs/dbraw/zinc/54/05/17/637540517.db2.gz JYFCRPRJTJZQNV-NSHDSACASA-N 2 1 294.414 3.491 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1O ZINC000858491659 638741379 /nfs/dbraw/zinc/74/13/79/638741379.db2.gz MTIKUDJLTKDUFD-CHWSQXEVSA-N 2 1 296.842 3.428 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1O ZINC000858491659 638741383 /nfs/dbraw/zinc/74/13/83/638741383.db2.gz MTIKUDJLTKDUFD-CHWSQXEVSA-N 2 1 296.842 3.428 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254529093 806441638 /nfs/dbraw/zinc/44/16/38/806441638.db2.gz CVCBGAQNKBJNHR-GOSISDBHSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254529093 806441643 /nfs/dbraw/zinc/44/16/43/806441643.db2.gz CVCBGAQNKBJNHR-GOSISDBHSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254529093 806441652 /nfs/dbraw/zinc/44/16/52/806441652.db2.gz CVCBGAQNKBJNHR-GOSISDBHSA-N 2 1 289.467 3.059 20 10 CGCDMP CCc1cccc(C[NH+]2CCC([NH+](CC)CC)CC2)c1O ZINC001261559377 807758399 /nfs/dbraw/zinc/75/83/99/807758399.db2.gz JSNZRLJEYMLORA-UHFFFAOYSA-N 2 1 290.451 3.261 20 10 CGCDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840884 813104335 /nfs/dbraw/zinc/10/43/35/813104335.db2.gz INJTUKCXMNTNPO-XJKSGUPXSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840884 813104339 /nfs/dbraw/zinc/10/43/39/813104339.db2.gz INJTUKCXMNTNPO-XJKSGUPXSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234994680 818973043 /nfs/dbraw/zinc/97/30/43/818973043.db2.gz VQWISQUCZNNTAL-IBGZPJMESA-N 2 1 297.446 3.062 20 10 CGCDMP C[N@H+](Cc1cccc(C(C)(C)C)c1O)CC1CC[NH2+]CC1 ZINC001235433829 819096273 /nfs/dbraw/zinc/09/62/73/819096273.db2.gz SFVNNWNMSZOPDI-UHFFFAOYSA-N 2 1 290.451 3.121 20 10 CGCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc2ccccc2c1O ZINC001235716771 819150556 /nfs/dbraw/zinc/15/05/56/819150556.db2.gz KNLBLEXZYRNBIV-UHFFFAOYSA-N 2 1 298.430 3.367 20 10 CGCDMP CCC[N@H+](Cc1c(C)n(C)c2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236835839 819614472 /nfs/dbraw/zinc/61/44/72/819614472.db2.gz PSRKNGCBAWIZQU-INIZCTEOSA-N 2 1 299.462 3.308 20 10 CGCDMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC001348852828 936936068 /nfs/dbraw/zinc/93/60/68/936936068.db2.gz PVMZPEWSTLHGHW-IUCAKERBSA-N 2 1 291.222 3.205 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(C)cc1O ZINC001321542405 934193546 /nfs/dbraw/zinc/19/35/46/934193546.db2.gz LKNMKSGFFQTHKW-DOTOQJQBSA-N 2 1 290.451 3.473 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC001474504282 937863713 /nfs/dbraw/zinc/86/37/13/937863713.db2.gz FCYYVOWNDQYWDV-RHSMWYFYSA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC001474504282 937863715 /nfs/dbraw/zinc/86/37/15/937863715.db2.gz FCYYVOWNDQYWDV-RHSMWYFYSA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC001474504282 937863717 /nfs/dbraw/zinc/86/37/17/937863717.db2.gz FCYYVOWNDQYWDV-RHSMWYFYSA-N 2 1 290.451 3.288 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC001474504282 937863719 /nfs/dbraw/zinc/86/37/19/937863719.db2.gz FCYYVOWNDQYWDV-RHSMWYFYSA-N 2 1 290.451 3.288 20 10 CGCDMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC000088164134 541945602 /nfs/dbraw/zinc/94/56/02/541945602.db2.gz PMXBONOJJNUYNZ-ALOPSCKCSA-N 2 1 288.435 3.109 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(O)c1C ZINC000273404456 378744334 /nfs/dbraw/zinc/74/43/34/378744334.db2.gz OAGJTHOSESPKBN-BHYGNILZSA-N 2 1 288.435 3.286 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(O)c1C ZINC000273404456 378744336 /nfs/dbraw/zinc/74/43/36/378744336.db2.gz OAGJTHOSESPKBN-BHYGNILZSA-N 2 1 288.435 3.286 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1C ZINC000363846365 382259716 /nfs/dbraw/zinc/25/97/16/382259716.db2.gz CHXRLYXXLRSQNT-ARFHVFGLSA-N 2 1 288.435 3.286 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(N(C)C)cc1 ZINC000163264911 620210519 /nfs/dbraw/zinc/21/05/19/620210519.db2.gz CBBSQMSMCWQQHP-CRAIPNDOSA-N 2 1 289.467 3.135 20 10 CGCDMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000756550559 626713843 /nfs/dbraw/zinc/71/38/43/626713843.db2.gz IYLPKEIKYHQCAZ-BZPMIXESSA-N 2 1 292.398 3.011 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(O)c1C ZINC000756554061 626714807 /nfs/dbraw/zinc/71/48/07/626714807.db2.gz NQYLRSHTKCWGTA-LSDHHAIUSA-N 2 1 276.424 3.001 20 10 CGCDMP CCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1O ZINC000760830540 626994953 /nfs/dbraw/zinc/99/49/53/626994953.db2.gz HXFKIVXJIXQTJC-KRWDZBQOSA-N 2 1 290.451 3.479 20 10 CGCDMP CCC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1O ZINC000760830540 626994957 /nfs/dbraw/zinc/99/49/57/626994957.db2.gz HXFKIVXJIXQTJC-KRWDZBQOSA-N 2 1 290.451 3.479 20 10 CGCDMP CCC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1O ZINC000760830540 626994960 /nfs/dbraw/zinc/99/49/60/626994960.db2.gz HXFKIVXJIXQTJC-KRWDZBQOSA-N 2 1 290.451 3.479 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470733 627557019 /nfs/dbraw/zinc/55/70/19/627557019.db2.gz OIFZAEJYEJVRKX-GDBMZVCRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470733 627557021 /nfs/dbraw/zinc/55/70/21/627557021.db2.gz OIFZAEJYEJVRKX-GDBMZVCRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C[C@H]1C ZINC000769470733 627557023 /nfs/dbraw/zinc/55/70/23/627557023.db2.gz OIFZAEJYEJVRKX-GDBMZVCRSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C)cc1O ZINC000794802839 629579075 /nfs/dbraw/zinc/57/90/75/629579075.db2.gz OYANOLJYVWUYCM-FMKPAKJESA-N 2 1 276.424 3.224 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C)cc1O ZINC000794802839 629579081 /nfs/dbraw/zinc/57/90/81/629579081.db2.gz OYANOLJYVWUYCM-FMKPAKJESA-N 2 1 276.424 3.224 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000817962831 632258538 /nfs/dbraw/zinc/25/85/38/632258538.db2.gz LJGMYAHEBUVQOO-HOCLYGCPSA-N 2 1 277.456 3.311 20 10 CGCDMP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1O ZINC000817977447 632268996 /nfs/dbraw/zinc/26/89/96/632268996.db2.gz KLKSMDQDOMKAHJ-VHSXEESVSA-N 2 1 290.329 3.189 20 10 CGCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825130793 633331555 /nfs/dbraw/zinc/33/15/55/633331555.db2.gz FXGNEOKZQCFFKJ-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000873222763 634290442 /nfs/dbraw/zinc/29/04/42/634290442.db2.gz BYHTXFAYBJZSEG-INIZCTEOSA-N 2 1 296.842 3.243 20 10 CGCDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019912844 634376621 /nfs/dbraw/zinc/37/66/21/634376621.db2.gz PWRLKIUCCHZPOY-INIZCTEOSA-N 2 1 289.467 3.107 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759705 634894069 /nfs/dbraw/zinc/89/40/69/634894069.db2.gz QOUGAPIIHRHZAM-GJZGRUSLSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759705 634894073 /nfs/dbraw/zinc/89/40/73/634894073.db2.gz QOUGAPIIHRHZAM-GJZGRUSLSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2O)C[C@@H]1C ZINC000876759705 634894074 /nfs/dbraw/zinc/89/40/74/634894074.db2.gz QOUGAPIIHRHZAM-GJZGRUSLSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000840808462 635055807 /nfs/dbraw/zinc/05/58/07/635055807.db2.gz CNZQDCUWZWMPNE-LSDHHAIUSA-N 2 1 276.424 3.083 20 10 CGCDMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)C[NH+]1CCCC1 ZINC000841745307 635221608 /nfs/dbraw/zinc/22/16/08/635221608.db2.gz POPYEUMKPBQSDS-OLZOCXBDSA-N 2 1 296.842 3.428 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccccc2O)C1 ZINC000248546938 640768161 /nfs/dbraw/zinc/76/81/61/640768161.db2.gz FYPMGBAXIDCJPU-GOEBONIOSA-N 2 1 276.424 3.165 20 10 CGCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001205280956 812929283 /nfs/dbraw/zinc/92/92/83/812929283.db2.gz MYSNCDSMIGDWIE-SFHVURJKSA-N 2 1 284.403 3.249 20 10 CGCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc3ccccc3cc1O)C2 ZINC001169108655 807578468 /nfs/dbraw/zinc/57/84/68/807578468.db2.gz URQOAGQVXLUELY-BCDXTJNWSA-N 2 1 296.414 3.260 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)CC[C@H]1C[NH3+] ZINC001205651521 813042399 /nfs/dbraw/zinc/04/23/99/813042399.db2.gz GDIWXDIYNVPYBG-PBHICJAKSA-N 2 1 298.430 3.352 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205903572 813126847 /nfs/dbraw/zinc/12/68/47/813126847.db2.gz QCYYFLAXWUKUFE-RDJZCZTQSA-N 2 1 289.467 3.092 20 10 CGCDMP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001205939611 813141308 /nfs/dbraw/zinc/14/13/08/813141308.db2.gz SMIXWMVCDBLLKS-KRWDZBQOSA-N 2 1 296.414 3.372 20 10 CGCDMP Oc1c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)ccc2ccccc21 ZINC001222248273 816386372 /nfs/dbraw/zinc/38/63/72/816386372.db2.gz KEBXXDLRBSOAEH-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)cc(C)cc1O ZINC001231850843 818189182 /nfs/dbraw/zinc/18/91/82/818189182.db2.gz VLIQIGPDVYNTPU-UHFFFAOYSA-N 2 1 278.440 3.173 20 10 CGCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001236065682 819297070 /nfs/dbraw/zinc/29/70/70/819297070.db2.gz CJGFGTYJFOHYMM-GOSISDBHSA-N 2 1 297.446 3.135 20 10 CGCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236067699 819297959 /nfs/dbraw/zinc/29/79/59/819297959.db2.gz UDYNYIBIYWTGAF-KRWDZBQOSA-N 2 1 297.446 3.135 20 10 CGCDMP CC[NH+](CC)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237490448 819764843 /nfs/dbraw/zinc/76/48/43/819764843.db2.gz UWRZOJLKDGMYLD-UHFFFAOYSA-N 2 1 276.424 3.007 20 10 CGCDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000840807425 931968795 /nfs/dbraw/zinc/96/87/95/931968795.db2.gz AYUHFSUMIVIUOH-HOTGVXAUSA-N 2 1 289.467 3.135 20 10 CGCDMP c1cc(N2CCCC2)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC001326222321 934961518 /nfs/dbraw/zinc/96/15/18/934961518.db2.gz NPPCIEIJGOIQCG-UHFFFAOYSA-N 2 1 299.462 3.003 20 10 CGCDMP C[C@@H]([NH2+]CCCC[NH3+])c1cc(Cl)c(Cl)cc1O ZINC001329022033 935177279 /nfs/dbraw/zinc/17/72/79/935177279.db2.gz CGACXFVQPYWGHN-MRVPVSSYSA-N 2 1 277.195 3.089 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001333421005 935534715 /nfs/dbraw/zinc/53/47/15/935534715.db2.gz IXGBRDXXMOSWPF-HZPDHXFCSA-N 2 1 289.467 3.135 20 10 CGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC001337784535 936288569 /nfs/dbraw/zinc/28/85/69/936288569.db2.gz BXBQUWCYADJXSK-QWHCGFSZSA-N 2 1 296.842 3.428 20 10 CGCDMP CC(C)c1ccc(O)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC001575858833 962418909 /nfs/dbraw/zinc/41/89/09/962418909.db2.gz SDNDNCRUDXXZMP-INIZCTEOSA-N 2 1 276.424 3.123 20 10 CGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297504978 373270654 /nfs/dbraw/zinc/27/06/54/373270654.db2.gz CGBWRPBDKILIMU-GDBMZVCRSA-N 2 1 288.435 3.090 20 10 CGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000173433258 392625868 /nfs/dbraw/zinc/62/58/68/392625868.db2.gz LQHMJAMYYZHUTN-INIZCTEOSA-N 2 1 290.451 3.173 20 10 CGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185544930 327840579 /nfs/dbraw/zinc/84/05/79/327840579.db2.gz NNBNPRABBRUVAP-AWEZNQCLSA-N 2 1 287.407 3.337 20 10 CGCDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1O ZINC000229546834 333306175 /nfs/dbraw/zinc/30/61/75/333306175.db2.gz XAASXKTYYZPYGC-OAHLLOKOSA-N 2 1 264.413 3.163 20 10 CGCDMP Cc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000071406014 525350834 /nfs/dbraw/zinc/35/08/34/525350834.db2.gz ICZQFJPQIHLKTN-OAHLLOKOSA-N 2 1 276.424 3.055 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166431 627301047 /nfs/dbraw/zinc/30/10/47/627301047.db2.gz QWMTWXOTPBQQRH-VYDXJSESSA-N 2 1 289.467 3.276 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166431 627301049 /nfs/dbraw/zinc/30/10/49/627301049.db2.gz QWMTWXOTPBQQRH-VYDXJSESSA-N 2 1 289.467 3.276 20 10 CGCDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000794803571 629579513 /nfs/dbraw/zinc/57/95/13/629579513.db2.gz APMNJKBWKZLQCP-HOCLYGCPSA-N 2 1 276.424 3.083 20 10 CGCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616801 632025398 /nfs/dbraw/zinc/02/53/98/632025398.db2.gz GTXRGXHNNDMTMN-LJQANCHMSA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616801 632025404 /nfs/dbraw/zinc/02/54/04/632025404.db2.gz GTXRGXHNNDMTMN-LJQANCHMSA-N 2 1 296.414 3.073 20 10 CGCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816616801 632025408 /nfs/dbraw/zinc/02/54/08/632025408.db2.gz GTXRGXHNNDMTMN-LJQANCHMSA-N 2 1 296.414 3.073 20 10 CGCDMP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000817584898 632190431 /nfs/dbraw/zinc/19/04/31/632190431.db2.gz AIYIIMYBTBDQNI-XUJLQICISA-N 2 1 294.414 3.445 20 10 CGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817895044 632230423 /nfs/dbraw/zinc/23/04/23/632230423.db2.gz TVPNLHIAZXNSJB-MOPGFXCFSA-N 2 1 295.430 3.295 20 10 CGCDMP CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000817958147 632253956 /nfs/dbraw/zinc/25/39/56/632253956.db2.gz IKKJUZXBCMABOP-GDBMZVCRSA-N 2 1 277.456 3.167 20 10 CGCDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817958740 632254580 /nfs/dbraw/zinc/25/45/80/632254580.db2.gz MDDYBSHJOKHUNA-CZUORRHYSA-N 2 1 290.451 3.295 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000817963580 632259245 /nfs/dbraw/zinc/25/92/45/632259245.db2.gz VJHYEGLNUFHRFQ-KBPBESRZSA-N 2 1 264.413 3.177 20 10 CGCDMP Cc1cccc(O)c1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000876766568 634895710 /nfs/dbraw/zinc/89/57/10/634895710.db2.gz NQIPLUPRZUOWFY-OAHLLOKOSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cccc(O)c1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000876766568 634895712 /nfs/dbraw/zinc/89/57/12/634895712.db2.gz NQIPLUPRZUOWFY-OAHLLOKOSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1cccc(O)c1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000876766568 634895713 /nfs/dbraw/zinc/89/57/13/634895713.db2.gz NQIPLUPRZUOWFY-OAHLLOKOSA-N 2 1 276.424 3.007 20 10 CGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)CC[C@@H]1[NH3+] ZINC000843053409 635551286 /nfs/dbraw/zinc/55/12/86/635551286.db2.gz LQPAAAMTJDSILW-WMZOPIPTSA-N 2 1 289.467 3.092 20 10 CGCDMP Cc1cc(O)c(C[NH2+]CCC[N@H+](C)CC(C)C)cc1C ZINC000845996332 636127644 /nfs/dbraw/zinc/12/76/44/636127644.db2.gz NKZCUGVJZUWYPY-UHFFFAOYSA-N 2 1 278.440 3.077 20 10 CGCDMP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1c(O)cccc1F ZINC000886646332 637627220 /nfs/dbraw/zinc/62/72/20/637627220.db2.gz GAKSPPNFBCBEBQ-SFYCDEOASA-N 2 1 294.414 3.445 20 10 CGCDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1O ZINC000853239982 637791153 /nfs/dbraw/zinc/79/11/53/637791153.db2.gz LDLSARBLVJMAFL-HOCLYGCPSA-N 2 1 288.435 3.165 20 10 CGCDMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1O ZINC001140804905 804522549 /nfs/dbraw/zinc/52/25/49/804522549.db2.gz JVLINDVAMSIYQV-UHFFFAOYSA-N 2 1 281.359 3.291 20 10 CGCDMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1O ZINC001140804905 804522551 /nfs/dbraw/zinc/52/25/51/804522551.db2.gz JVLINDVAMSIYQV-UHFFFAOYSA-N 2 1 281.359 3.291 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205117330 812874336 /nfs/dbraw/zinc/87/43/36/812874336.db2.gz NYANCZQWZJINFL-OAHLLOKOSA-N 2 1 276.424 3.003 20 10 CGCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001205116967 812874460 /nfs/dbraw/zinc/87/44/60/812874460.db2.gz KEEQDQSBAPZQLD-QGZVFWFLSA-N 2 1 296.414 3.372 20 10 CGCDMP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1[NH3+] ZINC001205881378 813117733 /nfs/dbraw/zinc/11/77/33/813117733.db2.gz ZNTZOXVOXPCOFH-KDOFPFPSSA-N 2 1 296.414 3.228 20 10 CGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1[NH3+] ZINC001205881378 813117738 /nfs/dbraw/zinc/11/77/38/813117738.db2.gz ZNTZOXVOXPCOFH-KDOFPFPSSA-N 2 1 296.414 3.228 20 10 CGCDMP CN(C)c1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c2ccccc21 ZINC001205933023 813139108 /nfs/dbraw/zinc/13/91/08/813139108.db2.gz VVHYVDDGTYZLTL-INIZCTEOSA-N 2 1 297.446 3.219 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c2ccccc21 ZINC001205933023 813139110 /nfs/dbraw/zinc/13/91/10/813139110.db2.gz VVHYVDDGTYZLTL-INIZCTEOSA-N 2 1 297.446 3.219 20 10 CGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001206318932 813287503 /nfs/dbraw/zinc/28/75/03/813287503.db2.gz VGFRMSKPFMUQJG-LJQANCHMSA-N 2 1 298.430 3.496 20 10 CGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC001235675295 819134651 /nfs/dbraw/zinc/13/46/51/819134651.db2.gz VJGSFBYUPWTZHJ-GOSISDBHSA-N 2 1 297.446 3.265 20 10 CGCDMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892265 819201570 /nfs/dbraw/zinc/20/15/70/819201570.db2.gz OECGTSUYBSOHMD-GOEBONIOSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892265 819201572 /nfs/dbraw/zinc/20/15/72/819201572.db2.gz OECGTSUYBSOHMD-GOEBONIOSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892268 819202569 /nfs/dbraw/zinc/20/25/69/819202569.db2.gz OECGTSUYBSOHMD-HOCLYGCPSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892268 819202578 /nfs/dbraw/zinc/20/25/78/819202578.db2.gz OECGTSUYBSOHMD-HOCLYGCPSA-N 2 1 297.446 3.217 20 10 CGCDMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053043 819288973 /nfs/dbraw/zinc/28/89/73/819288973.db2.gz XREMCKAVXGODRW-YOEHRIQHSA-N 2 1 296.414 3.228 20 10 CGCDMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001236053043 819288977 /nfs/dbraw/zinc/28/89/77/819288977.db2.gz XREMCKAVXGODRW-YOEHRIQHSA-N 2 1 296.414 3.228 20 10 CGCDMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001236884797 819630156 /nfs/dbraw/zinc/63/01/56/819630156.db2.gz UFLMVCRCTBIKIN-INIZCTEOSA-N 2 1 284.403 3.228 20 10 CGCDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001236884797 819630162 /nfs/dbraw/zinc/63/01/62/819630162.db2.gz UFLMVCRCTBIKIN-INIZCTEOSA-N 2 1 284.403 3.228 20 10 CGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC001331835092 935412990 /nfs/dbraw/zinc/41/29/90/935412990.db2.gz PRIOESUIAHGDTH-SNPRPXQTSA-N 2 1 288.435 3.356 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(O)c1 ZINC000294436771 372654339 /nfs/dbraw/zinc/65/43/39/372654339.db2.gz VBIGSIBCWOODKL-GJZGRUSLSA-N 2 1 299.418 3.119 20 10 CGCDMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1O ZINC000530217394 375939529 /nfs/dbraw/zinc/93/95/29/375939529.db2.gz SSRXUGDRSOVMIE-CXAGYDPISA-N 2 1 296.414 3.481 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1O ZINC000375887847 379514290 /nfs/dbraw/zinc/51/42/90/379514290.db2.gz JUWAFARBXKMDFD-LZWOXQAQSA-N 2 1 292.398 3.199 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1O ZINC000375887847 379514301 /nfs/dbraw/zinc/51/43/01/379514301.db2.gz JUWAFARBXKMDFD-LZWOXQAQSA-N 2 1 292.398 3.199 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000283936442 380106618 /nfs/dbraw/zinc/10/66/18/380106618.db2.gz FFSQVAASHHQNOI-GJZGRUSLSA-N 2 1 288.435 3.144 20 10 CGCDMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1C ZINC000037786465 524069379 /nfs/dbraw/zinc/06/93/79/524069379.db2.gz IZZFVKITGKABLR-UHFFFAOYSA-N 2 1 290.451 3.356 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000290343750 524860825 /nfs/dbraw/zinc/86/08/25/524860825.db2.gz FQORHXONPRIIBE-WFASDCNBSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000290343750 524860831 /nfs/dbraw/zinc/86/08/31/524860831.db2.gz FQORHXONPRIIBE-WFASDCNBSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290343750 524860834 /nfs/dbraw/zinc/86/08/34/524860834.db2.gz FQORHXONPRIIBE-WFASDCNBSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290343750 524860842 /nfs/dbraw/zinc/86/08/42/524860842.db2.gz FQORHXONPRIIBE-WFASDCNBSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cccc(O)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683844 619872604 /nfs/dbraw/zinc/87/26/04/619872604.db2.gz VABKRNMEDDURLB-UHFFFAOYSA-N 2 1 290.451 3.399 20 10 CGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000163235085 620180453 /nfs/dbraw/zinc/18/04/53/620180453.db2.gz LNUIWBKHZZEBIQ-HOTGVXAUSA-N 2 1 289.467 3.135 20 10 CGCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000230658147 623260334 /nfs/dbraw/zinc/26/03/34/623260334.db2.gz MOVFQFDBXSPSCN-AWEZNQCLSA-N 2 1 264.413 3.082 20 10 CGCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(O)c1C ZINC000756398739 626701515 /nfs/dbraw/zinc/70/15/15/626701515.db2.gz YESWGNBFJMMQEI-OAHLLOKOSA-N 2 1 278.440 3.390 20 10 CGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756450225 626707249 /nfs/dbraw/zinc/70/72/49/626707249.db2.gz RPZZDNPWTLOKDZ-RYUDHWBXSA-N 2 1 298.377 3.053 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000769469927 627556416 /nfs/dbraw/zinc/55/64/16/627556416.db2.gz HSHABHOMDALFDV-NVXWUHKLSA-N 2 1 290.451 3.314 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000769469927 627556418 /nfs/dbraw/zinc/55/64/18/627556418.db2.gz HSHABHOMDALFDV-NVXWUHKLSA-N 2 1 290.451 3.314 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000769469927 627556422 /nfs/dbraw/zinc/55/64/22/627556422.db2.gz HSHABHOMDALFDV-NVXWUHKLSA-N 2 1 290.451 3.314 20 10 CGCDMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817949900 632246861 /nfs/dbraw/zinc/24/68/61/632246861.db2.gz OUWNPXKGBLDDKS-XJKSGUPXSA-N 2 1 288.435 3.064 20 10 CGCDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000817962832 632258645 /nfs/dbraw/zinc/25/86/45/632258645.db2.gz LJGMYAHEBUVQOO-ZBFHGGJFSA-N 2 1 277.456 3.311 20 10 CGCDMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965211 632260607 /nfs/dbraw/zinc/26/06/07/632260607.db2.gz NVJFXLNQSNBONB-KDOFPFPSSA-N 2 1 287.451 3.065 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000824708455 633276837 /nfs/dbraw/zinc/27/68/37/633276837.db2.gz FDTGFWOIHRWGQT-UHFFFAOYSA-N 2 1 296.842 3.128 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1Cl ZINC000824862511 633301944 /nfs/dbraw/zinc/30/19/44/633301944.db2.gz KCYCSEFOXBQRNC-JSGCOSHPSA-N 2 1 296.842 3.269 20 10 CGCDMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000873048365 634237413 /nfs/dbraw/zinc/23/74/13/634237413.db2.gz YOBLCSZYFBVZDC-QGZVFWFLSA-N 2 1 290.451 3.215 20 10 CGCDMP Cc1cccc(O)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000876624793 634870358 /nfs/dbraw/zinc/87/03/58/634870358.db2.gz KGUWFTBKMITJII-UHFFFAOYSA-N 2 1 290.451 3.253 20 10 CGCDMP Cc1cccc(O)c1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000876933165 634930926 /nfs/dbraw/zinc/93/09/26/634930926.db2.gz HJQJQGILKSTJII-MRXNPFEDSA-N 2 1 290.451 3.445 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1O ZINC000843043850 635547841 /nfs/dbraw/zinc/54/78/41/635547841.db2.gz LLMZQEMTMOPDHC-UHFFFAOYSA-N 2 1 294.826 3.070 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000843050917 635549029 /nfs/dbraw/zinc/54/90/29/635549029.db2.gz BCAYKTFQHRYGMI-RDJZCZTQSA-N 2 1 289.467 3.092 20 10 CGCDMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1O ZINC000848888785 636676367 /nfs/dbraw/zinc/67/63/67/636676367.db2.gz ZILIFZRUXFZPNY-WMLDXEAASA-N 2 1 290.451 3.117 20 10 CGCDMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1O ZINC000848888785 636676368 /nfs/dbraw/zinc/67/63/68/636676368.db2.gz ZILIFZRUXFZPNY-WMLDXEAASA-N 2 1 290.451 3.117 20 10 CGCDMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1O ZINC000848888785 636676375 /nfs/dbraw/zinc/67/63/75/636676375.db2.gz ZILIFZRUXFZPNY-WMLDXEAASA-N 2 1 290.451 3.117 20 10 CGCDMP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1c(O)cccc1F ZINC000886623817 637614748 /nfs/dbraw/zinc/61/47/48/637614748.db2.gz OXYBWCJFINAYHG-LBPRGKRZSA-N 2 1 280.387 3.056 20 10 CGCDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1c(O)cccc1F ZINC000886623817 637614753 /nfs/dbraw/zinc/61/47/53/637614753.db2.gz OXYBWCJFINAYHG-LBPRGKRZSA-N 2 1 280.387 3.056 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1O ZINC000858490698 638741167 /nfs/dbraw/zinc/74/11/67/638741167.db2.gz LZCJEDZTJXUVKE-XJKSGUPXSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1O ZINC000858490698 638741170 /nfs/dbraw/zinc/74/11/70/638741170.db2.gz LZCJEDZTJXUVKE-XJKSGUPXSA-N 2 1 294.414 3.304 20 10 CGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC001117748401 802487280 /nfs/dbraw/zinc/48/72/80/802487280.db2.gz YWSOQVPZJZFQHS-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP CC[N@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128344 808186166 /nfs/dbraw/zinc/18/61/66/808186166.db2.gz RGRYZRHNILXGLL-BJWYYQGGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[N@@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128344 808186171 /nfs/dbraw/zinc/18/61/71/808186171.db2.gz RGRYZRHNILXGLL-BJWYYQGGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[NH+](Cc1ccccc1O)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128344 808186174 /nfs/dbraw/zinc/18/61/74/808186174.db2.gz RGRYZRHNILXGLL-BJWYYQGGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[NH+](Cc1ccccc1O)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128344 808186178 /nfs/dbraw/zinc/18/61/78/808186178.db2.gz RGRYZRHNILXGLL-BJWYYQGGSA-N 2 1 288.435 3.229 20 10 CGCDMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1O ZINC001184418377 810198291 /nfs/dbraw/zinc/19/82/91/810198291.db2.gz NLZYWJVVWDMVDH-LBPRGKRZSA-N 2 1 284.831 3.256 20 10 CGCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001205915845 813130791 /nfs/dbraw/zinc/13/07/91/813130791.db2.gz QVWXYCBBTKRDDQ-CZUORRHYSA-N 2 1 284.403 3.105 20 10 CGCDMP Cc1cc(C[N@H+]2CCC[NH2+]C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001206257384 813258503 /nfs/dbraw/zinc/25/85/03/813258503.db2.gz BWSSTSVVCBPNDN-INIZCTEOSA-N 2 1 297.446 3.278 20 10 CGCDMP Cc1cc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001206257384 813258506 /nfs/dbraw/zinc/25/85/06/813258506.db2.gz BWSSTSVVCBPNDN-INIZCTEOSA-N 2 1 297.446 3.278 20 10 CGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001206572552 813360038 /nfs/dbraw/zinc/36/00/38/813360038.db2.gz CNMIQPGDLFFFMJ-LJQANCHMSA-N 2 1 298.430 3.496 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222250061 816385673 /nfs/dbraw/zinc/38/56/73/816385673.db2.gz ZLTBENJJJZYEHX-IBGZPJMESA-N 2 1 296.414 3.263 20 10 CGCDMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(O)c1 ZINC001231849937 818188634 /nfs/dbraw/zinc/18/86/34/818188634.db2.gz WZUPXJRMOMHCIH-UHFFFAOYSA-N 2 1 288.435 3.068 20 10 CGCDMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(O)c1 ZINC001231849937 818188637 /nfs/dbraw/zinc/18/86/37/818188637.db2.gz WZUPXJRMOMHCIH-UHFFFAOYSA-N 2 1 288.435 3.068 20 10 CGCDMP CC[N@H+](Cc1ccc2ccccc2c1[O-])C1CCN(C)CC1 ZINC001231880673 818199981 /nfs/dbraw/zinc/19/99/81/818199981.db2.gz BYCSEBNXVDYUPS-UHFFFAOYSA-N 2 1 298.430 3.462 20 10 CGCDMP CC[N@@H+](Cc1ccc2ccccc2c1[O-])C1CCN(C)CC1 ZINC001231880673 818199983 /nfs/dbraw/zinc/19/99/83/818199983.db2.gz BYCSEBNXVDYUPS-UHFFFAOYSA-N 2 1 298.430 3.462 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235118567 819009988 /nfs/dbraw/zinc/00/99/88/819009988.db2.gz OPQDOGUEYGKWQT-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235118567 819009994 /nfs/dbraw/zinc/00/99/94/819009994.db2.gz OPQDOGUEYGKWQT-LJQANCHMSA-N 2 1 296.414 3.263 20 10 CGCDMP C[NH+](C)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235676995 819136421 /nfs/dbraw/zinc/13/64/21/819136421.db2.gz ZPBZMMTZYYSVFB-UHFFFAOYSA-N 2 1 290.451 3.216 20 10 CGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235926247 819226482 /nfs/dbraw/zinc/22/64/82/819226482.db2.gz VEKLXHLDXAAJRZ-HNNXBMFYSA-N 2 1 276.424 3.003 20 10 CGCDMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220303 819386505 /nfs/dbraw/zinc/38/65/05/819386505.db2.gz YXABMLBQQXPMJR-JKSUJKDBSA-N 2 1 290.451 3.391 20 10 CGCDMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236417633 819463297 /nfs/dbraw/zinc/46/32/97/819463297.db2.gz FDGUYZWUOPVGMX-RDTXWAMCSA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001236417633 819463300 /nfs/dbraw/zinc/46/33/00/819463300.db2.gz FDGUYZWUOPVGMX-RDTXWAMCSA-N 2 1 296.414 3.371 20 10 CGCDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000295866326 372941958 /nfs/dbraw/zinc/94/19/58/372941958.db2.gz FUZOZNOMSOANAN-PNFOFYCQSA-N 2 1 287.451 3.028 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(O)c1C ZINC000273404457 378744381 /nfs/dbraw/zinc/74/43/81/378744381.db2.gz OAGJTHOSESPKBN-UAGQMJEPSA-N 2 1 288.435 3.286 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(O)c1C ZINC000273404457 378744384 /nfs/dbraw/zinc/74/43/84/378744384.db2.gz OAGJTHOSESPKBN-UAGQMJEPSA-N 2 1 288.435 3.286 20 10 CGCDMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000094616971 519672440 /nfs/dbraw/zinc/67/24/40/519672440.db2.gz RLJUYRBNAOXTGJ-LBPRGKRZSA-N 2 1 280.387 3.055 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C)cc1O ZINC000280097503 522719798 /nfs/dbraw/zinc/71/97/98/522719798.db2.gz MWFKXBSMKAJKEV-BBWFWOEESA-N 2 1 288.435 3.368 20 10 CGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C)cc1O ZINC000280097503 522719805 /nfs/dbraw/zinc/71/98/05/522719805.db2.gz MWFKXBSMKAJKEV-BBWFWOEESA-N 2 1 288.435 3.368 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000290343747 524860289 /nfs/dbraw/zinc/86/02/89/524860289.db2.gz FQORHXONPRIIBE-SWLSCSKDSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000290343747 524860297 /nfs/dbraw/zinc/86/02/97/524860297.db2.gz FQORHXONPRIIBE-SWLSCSKDSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290343747 524860306 /nfs/dbraw/zinc/86/03/06/524860306.db2.gz FQORHXONPRIIBE-SWLSCSKDSA-N 2 1 296.842 3.126 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290343747 524860313 /nfs/dbraw/zinc/86/03/13/524860313.db2.gz FQORHXONPRIIBE-SWLSCSKDSA-N 2 1 296.842 3.126 20 10 CGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164422924 622834701 /nfs/dbraw/zinc/83/47/01/622834701.db2.gz DHZBOCXULFSBAD-INIZCTEOSA-N 2 1 290.451 3.173 20 10 CGCDMP CCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CC[NH2+]CC1 ZINC000923327075 626146550 /nfs/dbraw/zinc/14/65/50/626146550.db2.gz MWOQCOVANWKCCH-UHFFFAOYSA-N 2 1 289.467 3.025 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(O)c1C ZINC000756398738 626701621 /nfs/dbraw/zinc/70/16/21/626701621.db2.gz YESWGNBFJMMQEI-HNNXBMFYSA-N 2 1 278.440 3.390 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469571 627556576 /nfs/dbraw/zinc/55/65/76/627556576.db2.gz AEVNMMGIVDYEKF-YJBOKZPZSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469571 627556580 /nfs/dbraw/zinc/55/65/80/627556580.db2.gz AEVNMMGIVDYEKF-YJBOKZPZSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469571 627556581 /nfs/dbraw/zinc/55/65/81/627556581.db2.gz AEVNMMGIVDYEKF-YJBOKZPZSA-N 2 1 289.467 3.057 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716389 628128309 /nfs/dbraw/zinc/12/83/09/628128309.db2.gz VREXBFHDFLBGED-GOEBONIOSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716389 628128311 /nfs/dbraw/zinc/12/83/11/628128311.db2.gz VREXBFHDFLBGED-GOEBONIOSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2O)C[C@@H]1C ZINC000775716389 628128313 /nfs/dbraw/zinc/12/83/13/628128313.db2.gz VREXBFHDFLBGED-GOEBONIOSA-N 2 1 276.424 3.005 20 10 CGCDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000797114081 629890296 /nfs/dbraw/zinc/89/02/96/629890296.db2.gz NYFLQIUJEPXMIG-YJBOKZPZSA-N 2 1 289.467 3.278 20 10 CGCDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000797114081 629890300 /nfs/dbraw/zinc/89/03/00/629890300.db2.gz NYFLQIUJEPXMIG-YJBOKZPZSA-N 2 1 289.467 3.278 20 10 CGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(C)cc1O ZINC000809754594 630800993 /nfs/dbraw/zinc/80/09/93/630800993.db2.gz CIAXIFDOGPLGNJ-UHFFFAOYSA-N 2 1 278.440 3.173 20 10 CGCDMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000817944225 632241903 /nfs/dbraw/zinc/24/19/03/632241903.db2.gz ZZMUWOXSHJGSNL-VIFPVBQESA-N 2 1 291.222 3.349 20 10 CGCDMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(F)cc1O ZINC000817959361 632255229 /nfs/dbraw/zinc/25/52/29/632255229.db2.gz CBCQQEVRUJXQKO-ZDUSSCGKSA-N 2 1 268.376 3.090 20 10 CGCDMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817960531 632256238 /nfs/dbraw/zinc/25/62/38/632256238.db2.gz MTBNZJUCRSDYJS-CYBMUJFWSA-N 2 1 293.430 3.204 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825168556 633333892 /nfs/dbraw/zinc/33/38/92/633333892.db2.gz ZWJOQIBZTKLMOT-ZDUSSCGKSA-N 2 1 296.842 3.176 20 10 CGCDMP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000873048364 634237784 /nfs/dbraw/zinc/23/77/84/634237784.db2.gz YOBLCSZYFBVZDC-KRWDZBQOSA-N 2 1 290.451 3.215 20 10 CGCDMP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1O ZINC000873245614 634299312 /nfs/dbraw/zinc/29/93/12/634299312.db2.gz SHDQKUNDNNSLBA-ZFWWWQNUSA-N 2 1 294.414 3.350 20 10 CGCDMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000876756239 634892418 /nfs/dbraw/zinc/89/24/18/634892418.db2.gz PJSNSZHHRMMZQJ-QGZVFWFLSA-N 2 1 288.435 3.151 20 10 CGCDMP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(O)c1 ZINC000876766899 634895484 /nfs/dbraw/zinc/89/54/84/634895484.db2.gz VRIKDKILUWAJSS-MRXNPFEDSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(O)c1 ZINC000876766899 634895487 /nfs/dbraw/zinc/89/54/87/634895487.db2.gz VRIKDKILUWAJSS-MRXNPFEDSA-N 2 1 276.424 3.007 20 10 CGCDMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(O)c1 ZINC000876766899 634895490 /nfs/dbraw/zinc/89/54/90/634895490.db2.gz VRIKDKILUWAJSS-MRXNPFEDSA-N 2 1 276.424 3.007 20 10 CGCDMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)C[NH+]1CCCC1 ZINC000841745311 635222945 /nfs/dbraw/zinc/22/29/45/635222945.db2.gz POPYEUMKPBQSDS-STQMWFEESA-N 2 1 296.842 3.428 20 10 CGCDMP Cc1cc(O)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000843056425 635552829 /nfs/dbraw/zinc/55/28/29/635552829.db2.gz JPFQHXBTWDYDQA-AWEZNQCLSA-N 2 1 284.831 3.159 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000843056425 635552837 /nfs/dbraw/zinc/55/28/37/635552837.db2.gz JPFQHXBTWDYDQA-AWEZNQCLSA-N 2 1 284.831 3.159 20 10 CGCDMP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1c(O)cccc1F ZINC000886615800 637606331 /nfs/dbraw/zinc/60/63/31/637606331.db2.gz NXXYXCIOWNKNMU-AWEZNQCLSA-N 2 1 294.414 3.448 20 10 CGCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1O ZINC000853239984 637791804 /nfs/dbraw/zinc/79/18/04/637791804.db2.gz LDLSARBLVJMAFL-ZBFHGGJFSA-N 2 1 288.435 3.165 20 10 CGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C(C)(C)C)cc2)CC1 ZINC001140304937 804408929 /nfs/dbraw/zinc/40/89/29/804408929.db2.gz HUVYEKODIVQBSF-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)c1 ZINC001140953519 804558945 /nfs/dbraw/zinc/55/89/45/804558945.db2.gz AYEOHIZWYRADRB-INIZCTEOSA-N 2 1 298.386 3.057 20 10 CGCDMP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)c1 ZINC001140953519 804558948 /nfs/dbraw/zinc/55/89/48/804558948.db2.gz AYEOHIZWYRADRB-INIZCTEOSA-N 2 1 298.386 3.057 20 10 CGCDMP CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c1O ZINC001205930800 813137961 /nfs/dbraw/zinc/13/79/61/813137961.db2.gz DKOXSYPUCRVPNL-CQSZACIVSA-N 2 1 276.424 3.003 20 10 CGCDMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c1O ZINC001205930800 813137962 /nfs/dbraw/zinc/13/79/62/813137962.db2.gz DKOXSYPUCRVPNL-CQSZACIVSA-N 2 1 276.424 3.003 20 10 CGCDMP Cc1c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c2ccccc2n1C ZINC001205996131 813156970 /nfs/dbraw/zinc/15/69/70/813156970.db2.gz UYVURVQWJOYLOZ-GDBMZVCRSA-N 2 1 299.462 3.294 20 10 CGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC001206021721 813168675 /nfs/dbraw/zinc/16/86/75/813168675.db2.gz AULKEEXDAFCRNQ-OLZOCXBDSA-N 2 1 296.842 3.161 20 10 CGCDMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044551 819282263 /nfs/dbraw/zinc/28/22/63/819282263.db2.gz NSOAVWPIIRBMQO-GDBMZVCRSA-N 2 1 297.446 3.075 20 10 CGCDMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044551 819282268 /nfs/dbraw/zinc/28/22/68/819282268.db2.gz NSOAVWPIIRBMQO-GDBMZVCRSA-N 2 1 297.446 3.075 20 10 CGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210475 819371944 /nfs/dbraw/zinc/37/19/44/819371944.db2.gz COSCRFBILVXSII-QZTJIDSGSA-N 2 1 289.467 3.235 20 10 CGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210475 819371951 /nfs/dbraw/zinc/37/19/51/819371951.db2.gz COSCRFBILVXSII-QZTJIDSGSA-N 2 1 289.467 3.235 20 10 CGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC001325339881 934905640 /nfs/dbraw/zinc/90/56/40/934905640.db2.gz LOKVRBCEYZZETB-GJZGRUSLSA-N 2 1 276.424 3.083 20 10 CGCDMP Cc1cc(O)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1Cl ZINC001579638136 962648508 /nfs/dbraw/zinc/64/85/08/962648508.db2.gz SJIGKFYNXVIHSY-AWEZNQCLSA-N 2 1 284.831 3.159 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000475200317 375132261 /nfs/dbraw/zinc/13/22/61/375132261.db2.gz ZXUNAAGWJWRSBP-PBHICJAKSA-N 2 1 299.462 3.307 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1O ZINC000285572348 380150280 /nfs/dbraw/zinc/15/02/80/380150280.db2.gz IBGAKMCRZXUSFV-BLLLJJGKSA-N 2 1 292.398 3.056 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1O ZINC000285572348 380150285 /nfs/dbraw/zinc/15/02/85/380150285.db2.gz IBGAKMCRZXUSFV-BLLLJJGKSA-N 2 1 292.398 3.056 20 10 CGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297504981 392568499 /nfs/dbraw/zinc/56/84/99/392568499.db2.gz CGBWRPBDKILIMU-GOEBONIOSA-N 2 1 288.435 3.090 20 10 CGCDMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295807380 392550912 /nfs/dbraw/zinc/55/09/12/392550912.db2.gz CLTYDFHULFAOOC-HOCLYGCPSA-N 2 1 288.435 3.234 20 10 CGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000173433270 392625466 /nfs/dbraw/zinc/62/54/66/392625466.db2.gz LQHMJAMYYZHUTN-MRXNPFEDSA-N 2 1 290.451 3.173 20 10 CGCDMP CC[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000151671406 623556266 /nfs/dbraw/zinc/55/62/66/623556266.db2.gz SYSYBRMROLJYDE-NVXWUHKLSA-N 2 1 289.467 3.278 20 10 CGCDMP CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000923336551 626147041 /nfs/dbraw/zinc/14/70/41/626147041.db2.gz UQEUEAYJHJKTLK-KRWDZBQOSA-N 2 1 289.467 3.025 20 10 CGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756396288 626701044 /nfs/dbraw/zinc/70/10/44/626701044.db2.gz JWBQSLVSTNHJHT-JSGCOSHPSA-N 2 1 294.414 3.400 20 10 CGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469569 627556453 /nfs/dbraw/zinc/55/64/53/627556453.db2.gz AEVNMMGIVDYEKF-QAPCUYQASA-N 2 1 289.467 3.057 20 10 CGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469569 627556455 /nfs/dbraw/zinc/55/64/55/627556455.db2.gz AEVNMMGIVDYEKF-QAPCUYQASA-N 2 1 289.467 3.057 20 10 CGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469569 627556457 /nfs/dbraw/zinc/55/64/57/627556457.db2.gz AEVNMMGIVDYEKF-QAPCUYQASA-N 2 1 289.467 3.057 20 10 CGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470734 627557258 /nfs/dbraw/zinc/55/72/58/627557258.db2.gz OIFZAEJYEJVRKX-GOEBONIOSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470734 627557262 /nfs/dbraw/zinc/55/72/62/627557262.db2.gz OIFZAEJYEJVRKX-GOEBONIOSA-N 2 1 276.424 3.005 20 10 CGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769470734 627557265 /nfs/dbraw/zinc/55/72/65/627557265.db2.gz OIFZAEJYEJVRKX-GOEBONIOSA-N 2 1 276.424 3.005 20 10 CGCDMP Cc1cc(O)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000862482554 629385949 /nfs/dbraw/zinc/38/59/49/629385949.db2.gz JNPCHUYZNUJEBX-CYBMUJFWSA-N 2 1 296.842 3.176 20 10 CGCDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(C)cc1O ZINC000794794766 629577287 /nfs/dbraw/zinc/57/72/87/629577287.db2.gz QWPCOFXZKCVLSC-INIZCTEOSA-N 2 1 278.440 3.472 20 10 CGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808678792 630664028 /nfs/dbraw/zinc/66/40/28/630664028.db2.gz WASUQIGSYXZADV-STQMWFEESA-N 2 1 296.842 3.346 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000815583741 631800491 /nfs/dbraw/zinc/80/04/91/631800491.db2.gz NIMXLNGWNRWWLK-QLFBSQMISA-N 2 1 276.424 3.142 20 10 CGCDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000815583741 631800500 /nfs/dbraw/zinc/80/05/00/631800500.db2.gz NIMXLNGWNRWWLK-QLFBSQMISA-N 2 1 276.424 3.142 20 10 CGCDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3c2O)CCN1C ZINC000816514797 632000797 /nfs/dbraw/zinc/00/07/97/632000797.db2.gz HSENTTWRGDGLOQ-WMLDXEAASA-N 2 1 298.430 3.460 20 10 CGCDMP CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000817900586 632231957 /nfs/dbraw/zinc/23/19/57/632231957.db2.gz OCRMDSFQMSMUDW-DLBZAZTESA-N 2 1 299.393 3.126 20 10 CGCDMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(O)c1 ZINC000817960020 632256400 /nfs/dbraw/zinc/25/64/00/632256400.db2.gz WOPJBONIIOAMSI-BBRMVZONSA-N 2 1 276.424 3.259 20 10 CGCDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817960595 632256503 /nfs/dbraw/zinc/25/65/03/632256503.db2.gz OAPNFNNBXFGDMZ-KSSFIOAISA-N 2 1 287.451 3.065 20 10 CGCDMP CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1O ZINC000817975407 632267375 /nfs/dbraw/zinc/26/73/75/632267375.db2.gz NDLWHWVGWLRCIM-XJKCOSOUSA-N 2 1 294.414 3.337 20 10 CGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1O ZINC000817984076 632273194 /nfs/dbraw/zinc/27/31/94/632273194.db2.gz MNVKJJSLCFYJSR-WCQYABFASA-N 2 1 282.815 3.147 20 10 CGCDMP Oc1ccccc1C[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000823602672 633125575 /nfs/dbraw/zinc/12/55/75/633125575.db2.gz QEWRFXKKWNJTBC-UHFFFAOYSA-N 2 1 288.435 3.136 20 10 CGCDMP Cc1cccc(O)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877497328 635061340 /nfs/dbraw/zinc/06/13/40/635061340.db2.gz NRIQFKNTQYZXPL-UHFFFAOYSA-N 2 1 288.435 3.008 20 10 CGCDMP CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841020558 635108592 /nfs/dbraw/zinc/10/85/92/635108592.db2.gz YRLBCTOTXTVSHA-JKSUJKDBSA-N 2 1 290.451 3.382 20 10 CGCDMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1C ZINC000841039666 635112264 /nfs/dbraw/zinc/11/22/64/635112264.db2.gz YMCAHHVBHBNGGE-INIZCTEOSA-N 2 1 276.424 3.001 20 10 CGCDMP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841746767 635223712 /nfs/dbraw/zinc/22/37/12/635223712.db2.gz LDMAAIWRMRHBNE-GFCCVEGCSA-N 2 1 296.842 3.428 20 10 CGCDMP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cc1O ZINC000843343718 635651393 /nfs/dbraw/zinc/65/13/93/635651393.db2.gz FZPAPDOBZBMONP-INIZCTEOSA-N 2 1 288.366 3.231 20 10 CGCDMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000858490606 638741141 /nfs/dbraw/zinc/74/11/41/638741141.db2.gz KPASILMOAMVJRT-DOTOQJQBSA-N 2 1 290.451 3.473 20 10 CGCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001205280955 812929332 /nfs/dbraw/zinc/92/93/32/812929332.db2.gz MYSNCDSMIGDWIE-GOSISDBHSA-N 2 1 284.403 3.249 20 10 CGCDMP CC[N@@H+](C)C1CCN(Cc2c3ccccc3n(C)c2C)CC1 ZINC001138259506 803884931 /nfs/dbraw/zinc/88/49/31/803884931.db2.gz IQSYXZFAMAZCCH-UHFFFAOYSA-N 2 1 299.462 3.403 20 10 CGCDMP CC[N@H+](C)C1CC[NH+](Cc2c3ccccc3n(C)c2C)CC1 ZINC001138259506 803884937 /nfs/dbraw/zinc/88/49/37/803884937.db2.gz IQSYXZFAMAZCCH-UHFFFAOYSA-N 2 1 299.462 3.403 20 10 CGCDMP CC[N@@H+](C)C1CC[NH+](Cc2c3ccccc3n(C)c2C)CC1 ZINC001138259506 803884943 /nfs/dbraw/zinc/88/49/43/803884943.db2.gz IQSYXZFAMAZCCH-UHFFFAOYSA-N 2 1 299.462 3.403 20 10 CGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)C ZINC001140301120 804408304 /nfs/dbraw/zinc/40/83/04/804408304.db2.gz ZPHPBPVLKMABJM-UHFFFAOYSA-N 2 1 289.467 3.059 20 10 CGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205273870 812925611 /nfs/dbraw/zinc/92/56/11/812925611.db2.gz QOGDJAYYVGQRCH-INIZCTEOSA-N 2 1 295.858 3.109 20 10 CGCDMP C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@@H]1C[NH3+] ZINC001205306505 812943497 /nfs/dbraw/zinc/94/34/97/812943497.db2.gz WONKKIKTBVOXIF-ZFWWWQNUSA-N 2 1 290.451 3.106 20 10 CGCDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840883 813104516 /nfs/dbraw/zinc/10/45/16/813104516.db2.gz INJTUKCXMNTNPO-CZUORRHYSA-N 2 1 290.451 3.249 20 10 CGCDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001205840883 813104518 /nfs/dbraw/zinc/10/45/18/813104518.db2.gz INJTUKCXMNTNPO-CZUORRHYSA-N 2 1 290.451 3.249 20 10 CGCDMP Cc1c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c2ccccc2n1C ZINC001205902079 813124336 /nfs/dbraw/zinc/12/43/36/813124336.db2.gz HQUFBXUOOARFEE-UKRRQHHQSA-N 2 1 285.435 3.046 20 10 CGCDMP C[N@H+](Cc1cc(C(C)(C)C)ccc1O)CC1CC[NH2+]CC1 ZINC001235433353 819096722 /nfs/dbraw/zinc/09/67/22/819096722.db2.gz UMLBEKIGSBFKCG-UHFFFAOYSA-N 2 1 290.451 3.121 20 10 CGCDMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC001235474718 819108663 /nfs/dbraw/zinc/10/86/63/819108663.db2.gz TZYZSPUHMAMGGV-UHFFFAOYSA-N 2 1 297.446 3.278 20 10 CGCDMP C[N@H+](Cc1cc(C(C)(C)C)ccc1O)C[C@H]1CCC[NH2+]C1 ZINC001235956238 819243939 /nfs/dbraw/zinc/24/39/39/819243939.db2.gz AYZPXOKSKBGSHY-AWEZNQCLSA-N 2 1 290.451 3.121 20 10 CGCDMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001236213932 819376875 /nfs/dbraw/zinc/37/68/75/819376875.db2.gz ZAVVCLQZHWCTMB-UHFFFAOYSA-N 2 1 289.467 3.023 20 10 CGCDMP Cc1cccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236655622 819563304 /nfs/dbraw/zinc/56/33/04/819563304.db2.gz ZWQPRJVLRUYXKA-KRWDZBQOSA-N 2 1 288.435 3.197 20 10 CGCDMP Cc1cccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236655622 819563306 /nfs/dbraw/zinc/56/33/06/819563306.db2.gz ZWQPRJVLRUYXKA-KRWDZBQOSA-N 2 1 288.435 3.197 20 10 CGCDMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)C)c2ccccc12 ZINC001236865727 819626171 /nfs/dbraw/zinc/62/61/71/819626171.db2.gz NAQXCWFMRQVVAG-HNNXBMFYSA-N 2 1 285.435 3.075 20 10 CGCDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)C)c2ccccc12 ZINC001236865727 819626175 /nfs/dbraw/zinc/62/61/75/819626175.db2.gz NAQXCWFMRQVVAG-HNNXBMFYSA-N 2 1 285.435 3.075 20 10 CGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(O)c1 ZINC001237083200 819663272 /nfs/dbraw/zinc/66/32/72/819663272.db2.gz XBGKBIKFBQLHGB-GOSISDBHSA-N 2 1 290.451 3.251 20 10 CGCDMP