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](C(=O)N(CC[NH3+])Cc1ccccc1)c1cc2ccccc2o1 ZINC000184178088 1013404928 /nfs/dbraw/zinc/40/49/28/1013404928.db2.gz OBFLCQZDGMPXTF-HNNXBMFYSA-N 1 0 322.408 3.524 50 0 DHAARO CSc1cccc(C[N@H+](Cc2cnn(C)c2C)C(C)C)c1 ZINC001506420406 1032615538 /nfs/dbraw/zinc/61/55/38/1032615538.db2.gz CYYDSUGFHGJABB-UHFFFAOYSA-N 1 0 303.475 3.861 50 0 DHAARO C[C@H]([NH2+]Cc1ncccc1O)c1ccc(OCC2CC2)c(F)c1 ZINC000952845653 1032663089 /nfs/dbraw/zinc/66/30/89/1032663089.db2.gz LXHXEADZHACSDC-LBPRGKRZSA-N 1 0 316.376 3.566 50 0 DHAARO CSC(C)(C)C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1C ZINC000952980211 1032678303 /nfs/dbraw/zinc/67/83/03/1032678303.db2.gz DKWHKVMPOABJKR-AWEZNQCLSA-N 1 0 308.491 3.833 50 0 DHAARO CCc1nc(C)c(C[NH2+][C@@H]2CC(C)(C)Oc3cc(C)ccc32)[nH]1 ZINC000952983349 1032681736 /nfs/dbraw/zinc/68/17/36/1032681736.db2.gz PCUVSJKNZNXQDY-OAHLLOKOSA-N 1 0 313.445 3.981 50 0 DHAARO Cc1ncsc1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000089565553 1032759736 /nfs/dbraw/zinc/75/97/36/1032759736.db2.gz JKABOSUZTWQRMW-UHFFFAOYSA-N 1 0 303.818 3.943 50 0 DHAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000011665203 1019012504 /nfs/dbraw/zinc/01/25/04/1019012504.db2.gz NJNNFUOOIKBBAI-INIZCTEOSA-N 1 0 314.816 3.830 50 0 DHAARO c1ccc(C(c2noc(CN3CCCC3)n2)c2ccccc2)cc1 ZINC000012074388 1019906008 /nfs/dbraw/zinc/90/60/08/1019906008.db2.gz CJDJXDJMHXYPAA-UHFFFAOYSA-N 1 0 319.408 3.846 50 0 DHAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000012298252 1020033687 /nfs/dbraw/zinc/03/36/87/1020033687.db2.gz QZWICSGPXXNCDB-HNNXBMFYSA-N 1 0 301.430 3.759 50 0 DHAARO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc2ccncc2s1 ZINC000657975678 1020056361 /nfs/dbraw/zinc/05/63/61/1020056361.db2.gz CZQYBXZHRWQWNL-MFKMUULPSA-N 1 0 304.440 3.742 50 0 DHAARO C[C@@H](Cc1cccs1)NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000821466813 1020258368 /nfs/dbraw/zinc/25/83/68/1020258368.db2.gz UPVTTYSQXUGYSD-ZDUSSCGKSA-N 1 0 322.518 3.742 50 0 DHAARO CCc1cc(C[N@H+](C)Cc2c(C)cc(C)cc2-n2cccn2)on1 ZINC000823565498 1020433902 /nfs/dbraw/zinc/43/39/02/1020433902.db2.gz GQDNLLZTFBIHOU-UHFFFAOYSA-N 1 0 324.428 3.672 50 0 DHAARO CNC(=O)C[C@H]1CC[N@H+](Cc2ccc(C3CCCCC3)s2)C1 ZINC000823821146 1020447379 /nfs/dbraw/zinc/44/73/79/1020447379.db2.gz XDTBNGQAAJXDPS-CQSZACIVSA-N 1 0 320.502 3.754 50 0 DHAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CCCCC1 ZINC000177208287 1020517518 /nfs/dbraw/zinc/51/75/18/1020517518.db2.gz PLOYMELJMNBMQO-MRXNPFEDSA-N 1 0 314.473 3.867 50 0 DHAARO CCCn1c(C)cnc1[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000575316424 1020945642 /nfs/dbraw/zinc/94/56/42/1020945642.db2.gz NHNLMOSLGOBUKY-OAHLLOKOSA-N 1 0 303.475 3.961 50 0 DHAARO Cc1cnc(C[C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575544970 1020974010 /nfs/dbraw/zinc/97/40/10/1020974010.db2.gz DEZNDDSABGEEMS-KRWDZBQOSA-N 1 0 315.436 3.976 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000575546690 1020975166 /nfs/dbraw/zinc/97/51/66/1020975166.db2.gz STDSKZWLCJIHHR-QGZVFWFLSA-N 1 0 315.461 3.813 50 0 DHAARO C/C=C\c1ccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000033457154 1021428905 /nfs/dbraw/zinc/42/89/05/1021428905.db2.gz UXWDHYCZFMMUQB-BNOHMRNQSA-N 1 0 319.445 3.606 50 0 DHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccs3)CC2)CC1 ZINC000581788084 1021838214 /nfs/dbraw/zinc/83/82/14/1021838214.db2.gz SKBHMWVWXALWQS-MRXNPFEDSA-N 1 0 320.502 3.722 50 0 DHAARO O=C(Nc1cccc(F)c1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581788021 1021838578 /nfs/dbraw/zinc/83/85/78/1021838578.db2.gz OQFQZJCIGRZUJD-HNNXBMFYSA-N 1 0 319.424 3.556 50 0 DHAARO Cc1cnc(C[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)n1CC1CC1 ZINC000581806052 1021846395 /nfs/dbraw/zinc/84/63/95/1021846395.db2.gz RIUYOTGTXUOMRM-HXUWFJFHSA-N 1 0 323.484 3.975 50 0 DHAARO Cc1c[nH+]c(C)n1C[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC000581808150 1021850227 /nfs/dbraw/zinc/85/02/27/1021850227.db2.gz QLGICOPKTQIVEQ-SFHVURJKSA-N 1 0 317.477 3.709 50 0 DHAARO O=C(Nc1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047324853 1023298364 /nfs/dbraw/zinc/29/83/64/1023298364.db2.gz HQXLRNZHOADDBB-UHFFFAOYSA-N 1 0 321.852 3.822 50 0 DHAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC000106789068 1023382904 /nfs/dbraw/zinc/38/29/04/1023382904.db2.gz BZEBIVQVTUXHKV-NXOUGTEYSA-N 1 0 322.399 3.501 50 0 DHAARO c1sc(-c2ncccn2)nc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000106826237 1023384046 /nfs/dbraw/zinc/38/40/46/1023384046.db2.gz DLGBWFZDZJBWHP-KGLIPLIRSA-N 1 0 314.458 3.612 50 0 DHAARO CCC[C@H](C)NC(=O)CN(C)Cc1csc2ccccc12 ZINC000046089533 1023663773 /nfs/dbraw/zinc/66/37/73/1023663773.db2.gz GUOMTOGQOZAPKK-ZDUSSCGKSA-N 1 0 304.459 3.638 50 0 DHAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004981275 1024145534 /nfs/dbraw/zinc/14/55/34/1024145534.db2.gz RYBAVEWNVDNECI-GOSISDBHSA-N 1 0 324.468 3.839 50 0 DHAARO CCCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+][C@@H](C)CCc1ccccc1 ZINC000012353986 1024502677 /nfs/dbraw/zinc/50/26/77/1024502677.db2.gz XSCSLSHNONYAPT-HNAYVOBHSA-N 1 0 314.473 3.902 50 0 DHAARO C[N@H+](Cc1cnc(C2CCCCC2)nc1)CC1(CO)CCCC1 ZINC000216090016 1024529786 /nfs/dbraw/zinc/52/97/86/1024529786.db2.gz XWFLVPYPIVOAMD-UHFFFAOYSA-N 1 0 317.477 3.509 50 0 DHAARO CCCn1ncc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)c1C ZINC000216095077 1024530707 /nfs/dbraw/zinc/53/07/07/1024530707.db2.gz IIIDPCPVUIVEIO-IBGZPJMESA-N 1 0 313.445 3.947 50 0 DHAARO Cc1nc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)co1 ZINC000585133221 1025833339 /nfs/dbraw/zinc/83/33/39/1025833339.db2.gz BCQFZIKNGFASFP-UHFFFAOYSA-N 1 0 324.384 3.686 50 0 DHAARO COc1ccccc1/C=C\CN1CC[N@H+](C)CC12CCCCC2 ZINC000222084017 1026134341 /nfs/dbraw/zinc/13/43/41/1026134341.db2.gz QEOPDIFLYQYRTQ-NTMALXAHSA-N 1 0 314.473 3.659 50 0 DHAARO Cc1cc2[nH]c(C[N@@H+]3CCCN(CC(F)F)CC3)cc2c(C)c1 ZINC000585084633 1029669130 /nfs/dbraw/zinc/66/91/30/1029669130.db2.gz WENZRDUAHVKYFV-UHFFFAOYSA-N 1 0 321.415 3.558 50 0 DHAARO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2cccc(-c3ncc[nH]3)c2)cc1 ZINC000585124209 1029795158 /nfs/dbraw/zinc/79/51/58/1029795158.db2.gz CBMZGTUVRQQXMJ-IFXJQAMLSA-N 1 0 319.408 3.793 50 0 DHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1C1CCC1 ZINC000102876071 1034664094 /nfs/dbraw/zinc/66/40/94/1034664094.db2.gz UDYUZIVHFBRLNG-LJQANCHMSA-N 1 0 312.457 3.687 50 0 DHAARO CC1(c2ccccc2)CCC([NH2+]C[C@@H](CO)c2cccnc2)CC1 ZINC000348230546 1036345856 /nfs/dbraw/zinc/34/58/56/1036345856.db2.gz RHSUFVZIAKNUBJ-PELRDEGISA-N 1 0 324.468 3.648 50 0 DHAARO C[N@@H+](Cc1cc(Cl)cc2cccnc21)C[C@H]1CCCOC1 ZINC000171638831 1039562844 /nfs/dbraw/zinc/56/28/44/1039562844.db2.gz HDQLJNFIKLLPKP-CYBMUJFWSA-N 1 0 304.821 3.747 50 0 DHAARO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000095409653 185357012 /nfs/dbraw/zinc/35/70/12/185357012.db2.gz QBFAPZJYBWVMFE-XFIWCOJDSA-N 1 0 313.466 3.911 50 0 DHAARO C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@@H](C)c1ccccc1 ZINC000095406061 185355936 /nfs/dbraw/zinc/35/59/36/185355936.db2.gz BMORSXNJUVYLDN-CABCVRRESA-N 1 0 306.409 3.810 50 0 DHAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cnc(CC)s2)cc1 ZINC000095409407 185356948 /nfs/dbraw/zinc/35/69/48/185356948.db2.gz FPTPVHLPJFLZNO-LBPRGKRZSA-N 1 0 317.458 3.905 50 0 DHAARO Cc1nc(CC[NH2+][C@H](C)Cc2nc3ccccc3s2)cs1 ZINC000095419974 185359985 /nfs/dbraw/zinc/35/99/85/185359985.db2.gz LYOIPXMFFXROGK-LLVKDONJSA-N 1 0 317.483 3.825 50 0 DHAARO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(SC(F)F)cc1 ZINC000095423578 185361139 /nfs/dbraw/zinc/36/11/39/185361139.db2.gz NMHVTMVTORETAE-IINYFYTJSA-N 1 0 319.442 3.520 50 0 DHAARO CC1(C)CCC(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000095453922 185369358 /nfs/dbraw/zinc/36/93/58/185369358.db2.gz ZXTOCVBILILISY-UHFFFAOYSA-N 1 0 320.521 3.927 50 0 DHAARO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000095459377 185370673 /nfs/dbraw/zinc/37/06/73/185370673.db2.gz JQTVAIJKYXKXIO-ZJUUUORDSA-N 1 0 303.233 3.956 50 0 DHAARO Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000095463206 185371222 /nfs/dbraw/zinc/37/12/22/185371222.db2.gz ZDLUPHMYEUONRS-QGZVFWFLSA-N 1 0 310.441 3.554 50 0 DHAARO O=C(NC1CC1)[C@@H](Cc1ccccc1)[NH2+]C1CCCCCCC1 ZINC000095463518 185371263 /nfs/dbraw/zinc/37/12/63/185371263.db2.gz ONKLBKSDDIMOIY-LJQANCHMSA-N 1 0 314.473 3.579 50 0 DHAARO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ncc(C)s2)cc1OC ZINC000097017230 185397421 /nfs/dbraw/zinc/39/74/21/185397421.db2.gz YCFROBBDZUUCHR-YPMHNXCESA-N 1 0 320.458 3.751 50 0 DHAARO CCOCc1ccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000097159358 185416993 /nfs/dbraw/zinc/41/69/93/185416993.db2.gz XTRNKKFUABMMLK-UHFFFAOYSA-N 1 0 301.434 3.534 50 0 DHAARO COC(=O)c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000057620272 190687085 /nfs/dbraw/zinc/68/70/85/190687085.db2.gz RYLDNNUSVSLWQA-INIZCTEOSA-N 1 0 319.788 3.961 50 0 DHAARO Fc1ccc(OC[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000072130627 191044754 /nfs/dbraw/zinc/04/47/54/191044754.db2.gz BNAKXXUJFYRMES-MRXNPFEDSA-N 1 0 300.377 3.512 50 0 DHAARO Cc1sc2ccccc2c1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000072133190 191045222 /nfs/dbraw/zinc/04/52/22/191045222.db2.gz MZPVUHWHWIWDMW-CQSZACIVSA-N 1 0 316.470 3.687 50 0 DHAARO c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc3c(c2)OCCO3)nc1 ZINC000072133859 191046560 /nfs/dbraw/zinc/04/65/60/191046560.db2.gz IUUYFEQOCHRDMG-KRWDZBQOSA-N 1 0 310.397 3.580 50 0 DHAARO Fc1ccccc1OC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000072147810 191052620 /nfs/dbraw/zinc/05/26/20/191052620.db2.gz XSAZSLWNVFQAKC-INIZCTEOSA-N 1 0 300.377 3.512 50 0 DHAARO CNc1cc(-c2ccc(C[NH+]3CCCCC3)cn2)c2cc[nH]c2n1 ZINC000072149172 191054168 /nfs/dbraw/zinc/05/41/68/191054168.db2.gz OUQIPLQGRILHDR-UHFFFAOYSA-N 1 0 321.428 3.653 50 0 DHAARO CCn1cc(C[N@@H+]2CCC[C@@H](COc3cccc(C)c3)C2)cn1 ZINC000072148493 191054179 /nfs/dbraw/zinc/05/41/79/191054179.db2.gz RXVPQOSPRULWNT-QGZVFWFLSA-N 1 0 313.445 3.502 50 0 DHAARO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)co1 ZINC000072162025 191062483 /nfs/dbraw/zinc/06/24/83/191062483.db2.gz DICNUVXHLJEBNY-CQSZACIVSA-N 1 0 310.401 3.547 50 0 DHAARO CC(C)OC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000072170171 191068623 /nfs/dbraw/zinc/06/86/23/191068623.db2.gz OWKUROPCQFPWDP-KRWDZBQOSA-N 1 0 304.434 3.820 50 0 DHAARO COc1ccnc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000072174001 191069187 /nfs/dbraw/zinc/06/91/87/191069187.db2.gz VLEZOHVAXIAMJM-INIZCTEOSA-N 1 0 312.413 3.538 50 0 DHAARO Fc1ccc(CN2CCC[N@H+](Cc3ccsc3)CC2)cc1 ZINC000072171383 191069526 /nfs/dbraw/zinc/06/95/26/191069526.db2.gz FYWMOYRBDSTWOZ-UHFFFAOYSA-N 1 0 304.434 3.595 50 0 DHAARO Cc1ncc(C[NH2+][C@H]2CCOc3ccccc32)n1-c1ccccc1 ZINC000072307110 191117971 /nfs/dbraw/zinc/11/79/71/191117971.db2.gz DWEUJRKHYLBJIH-IBGZPJMESA-N 1 0 319.408 3.794 50 0 DHAARO CC(C)[NH2+][C@@H]1CC[C@@H]1NC(=O)c1cccc(-c2ccccc2)c1 ZINC000072423217 191158405 /nfs/dbraw/zinc/15/84/05/191158405.db2.gz NIGKQNMOYMJQKO-MOPGFXCFSA-N 1 0 308.425 3.612 50 0 DHAARO C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000072713959 191221161 /nfs/dbraw/zinc/22/11/61/191221161.db2.gz PPEWEBVNBFZBNP-SECBINFHSA-N 1 0 300.185 3.724 50 0 DHAARO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CCCC(C)(C)O)cc1OC ZINC000002498990 180928023 /nfs/dbraw/zinc/92/80/23/180928023.db2.gz IVWGNEFIUYLTIU-HUUCEWRRSA-N 1 0 323.477 3.554 50 0 DHAARO Cc1cc(C(C)(C)C)ccc1OCCOCC[NH+]1CCCC1 ZINC000003000525 180975972 /nfs/dbraw/zinc/97/59/72/180975972.db2.gz ZGKPIEFSBDGDCY-UHFFFAOYSA-N 1 0 305.462 3.784 50 0 DHAARO CCCC[N@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000003138237 180984876 /nfs/dbraw/zinc/98/48/76/180984876.db2.gz XBXBPKFWPRMZBI-INIZCTEOSA-N 1 0 310.441 3.887 50 0 DHAARO C[C@@H]([NH2+]C1CC1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003427112 181018303 /nfs/dbraw/zinc/01/83/03/181018303.db2.gz VNWVKPZBFUQNQR-ZCFIWIBFSA-N 1 0 307.608 3.726 50 0 DHAARO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCCCCCC1 ZINC000003538897 181032254 /nfs/dbraw/zinc/03/22/54/181032254.db2.gz DRSLFYGKEYUNKG-UHFFFAOYSA-N 1 0 310.825 3.553 50 0 DHAARO Cc1cc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1Cl ZINC000003865316 181050891 /nfs/dbraw/zinc/05/08/91/181050891.db2.gz HWEKXNATKPHZJB-QLFBSQMISA-N 1 0 311.853 3.651 50 0 DHAARO O[C@]12CCCC[C@H]1[C@@H](c1c(Cl)cccc1Cl)[NH2+]CC2 ZINC000004031361 181065097 /nfs/dbraw/zinc/06/50/97/181065097.db2.gz ADCRKOWUVHTZCP-LKTVYLICSA-N 1 0 300.229 3.949 50 0 DHAARO O[C@]12CCCC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)[NH2+]CC2 ZINC000004012413 181061898 /nfs/dbraw/zinc/06/18/98/181061898.db2.gz VIWGFBVZEDAVEE-DFBGVHRSSA-N 1 0 300.229 3.949 50 0 DHAARO C[C@H]1C(c2cccs2)[N+](=O)[C@@](C)(c2ccc(Cl)cc2)N1O ZINC000004314936 181096254 /nfs/dbraw/zinc/09/62/54/181096254.db2.gz PNYRXTISNSZHDQ-BONVTDFDSA-N 1 0 322.817 3.667 50 0 DHAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004592280 181127832 /nfs/dbraw/zinc/12/78/32/181127832.db2.gz FAHBKEWXDCXPEV-UHFFFAOYSA-N 1 0 322.452 3.523 50 0 DHAARO Cc1cccc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)c1 ZINC000004678418 181135417 /nfs/dbraw/zinc/13/54/17/181135417.db2.gz RQMXXXUVQJLPQE-UHFFFAOYSA-N 1 0 321.380 3.736 50 0 DHAARO CC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000004722232 181142453 /nfs/dbraw/zinc/14/24/53/181142453.db2.gz COCZPHUFQFMKDL-MRXNPFEDSA-N 1 0 302.462 3.606 50 0 DHAARO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000004746173 181146804 /nfs/dbraw/zinc/14/68/04/181146804.db2.gz PAPGUHQDPFIYQU-MRXNPFEDSA-N 1 0 320.864 3.565 50 0 DHAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCCCC1 ZINC000004746165 181146973 /nfs/dbraw/zinc/14/69/73/181146973.db2.gz YTTDGPNIVAPBFP-INIZCTEOSA-N 1 0 320.864 3.565 50 0 DHAARO C[C@H]1C(c2ccc(Cl)cc2)[N+](=O)[C@](C)(c2ccccc2)N1O ZINC000004819964 181156556 /nfs/dbraw/zinc/15/65/56/181156556.db2.gz FLUZNXLMFXJQIA-YVEFUNNKSA-N 1 0 316.788 3.606 50 0 DHAARO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)cc1Cl ZINC000004841705 181161319 /nfs/dbraw/zinc/16/13/19/181161319.db2.gz LZZIUJXMYFZAIZ-ZDUSSCGKSA-N 1 0 321.804 3.877 50 0 DHAARO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004891844 181168439 /nfs/dbraw/zinc/16/84/39/181168439.db2.gz RXLGHNRSQIUWTM-UHFFFAOYSA-N 1 0 301.430 3.762 50 0 DHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)Nc1c[nH]c2ccccc12 ZINC000005299865 181227993 /nfs/dbraw/zinc/22/79/93/181227993.db2.gz HBNQHDFVUDBCCV-CQSZACIVSA-N 1 0 316.449 3.800 50 0 DHAARO CCCCC1CCC(C(=O)NN2Cc3ccccc3C2=[NH2+])CC1 ZINC000005304471 181228341 /nfs/dbraw/zinc/22/83/41/181228341.db2.gz CKSIPSDZTSTDBN-UHFFFAOYSA-N 1 0 313.445 3.855 50 0 DHAARO C[N@H+](CCOC(=O)c1ccccc1Cl)Cc1ccccc1 ZINC000005674881 181270845 /nfs/dbraw/zinc/27/08/45/181270845.db2.gz RCKOCJPYSVPVFI-UHFFFAOYSA-N 1 0 303.789 3.629 50 0 DHAARO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000005662426 181268468 /nfs/dbraw/zinc/26/84/68/181268468.db2.gz XMKSAGCGRQFRHW-NSHDSACASA-N 1 0 300.324 3.518 50 0 DHAARO CC(C)c1ccc(NC(=S)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000005807924 181285444 /nfs/dbraw/zinc/28/54/44/181285444.db2.gz WAECPGBPGOHGFZ-HNNXBMFYSA-N 1 0 319.518 3.971 50 0 DHAARO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CCOC3)s2)cc1 ZINC000089724328 192850747 /nfs/dbraw/zinc/85/07/47/192850747.db2.gz WCDVKXCCBYYWGA-FZMZJTMJSA-N 1 0 318.442 3.567 50 0 DHAARO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000089694598 192844518 /nfs/dbraw/zinc/84/45/18/192844518.db2.gz DXWDNGPBSKZYKJ-UHFFFAOYSA-N 1 0 309.360 3.598 50 0 DHAARO O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000237850768 202371166 /nfs/dbraw/zinc/37/11/66/202371166.db2.gz BJXYCWXTDQNWHN-LBPRGKRZSA-N 1 0 318.779 3.694 50 0 DHAARO CC(C)c1ccccc1OCCOCC[NH+]1CCC(C)CC1 ZINC000005950642 181300174 /nfs/dbraw/zinc/30/01/74/181300174.db2.gz FAHIGUMOGQRVHG-UHFFFAOYSA-N 1 0 305.462 3.937 50 0 DHAARO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCCCCCC1 ZINC000006583807 181356868 /nfs/dbraw/zinc/35/68/68/181356868.db2.gz RDVNDTFDPTYHQY-UYAOXDASSA-N 1 0 317.473 3.708 50 0 DHAARO CCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248001938 202712217 /nfs/dbraw/zinc/71/22/17/202712217.db2.gz OAEUTGQYTBTZNE-UHFFFAOYSA-N 1 0 324.403 3.632 50 0 DHAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OC ZINC000006697663 181371339 /nfs/dbraw/zinc/37/13/39/181371339.db2.gz XTXGKZRVPGCQAU-UHFFFAOYSA-N 1 0 305.805 3.955 50 0 DHAARO CCOC(=O)C1CC[NH+](CCCCSc2ccccc2)CC1 ZINC000006702395 181373885 /nfs/dbraw/zinc/37/38/85/181373885.db2.gz QBZZWGSLLDYENO-UHFFFAOYSA-N 1 0 321.486 3.834 50 0 DHAARO CN(C(=O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1)c1ccccc1 ZINC000091474896 193061244 /nfs/dbraw/zinc/06/12/44/193061244.db2.gz ZLFGWDIVPSGOOL-NRFANRHFSA-N 1 0 322.452 3.703 50 0 DHAARO Cc1c2cc(C)ccc2[nH]c1C[N@@H+]1CC[C@@](O)(C2CC2)[C@H](C)C1 ZINC000091872300 193121120 /nfs/dbraw/zinc/12/11/20/193121120.db2.gz BSXXQHAVPCHBGH-VLIAUNLRSA-N 1 0 312.457 3.768 50 0 DHAARO CCC(CC)COC[n+]1ccn(Cc2ccc(Cl)cc2)c1 ZINC000261492995 203073187 /nfs/dbraw/zinc/07/31/87/203073187.db2.gz VBHGUYMQGDVFPE-UHFFFAOYSA-N 1 0 307.845 3.888 50 0 DHAARO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000093712568 193297180 /nfs/dbraw/zinc/29/71/80/193297180.db2.gz QEGKOSRYVOUKCH-NRFANRHFSA-N 1 0 305.418 3.504 50 0 DHAARO CC[C@@H](NC(=O)CC1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000095384406 193440954 /nfs/dbraw/zinc/44/09/54/193440954.db2.gz FZBKCLGWMYVIBZ-QGZVFWFLSA-N 1 0 306.425 3.515 50 0 DHAARO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000096479269 193662828 /nfs/dbraw/zinc/66/28/28/193662828.db2.gz ZULMEJBMFFLHSK-CJNGLKHVSA-N 1 0 321.490 3.763 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCCCCC2)c2ccc(F)cc12 ZINC000012422003 181759936 /nfs/dbraw/zinc/75/99/36/181759936.db2.gz ZJSGOLHUUGGVCI-QGZVFWFLSA-N 1 0 318.436 3.634 50 0 DHAARO Fc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000016047104 182031130 /nfs/dbraw/zinc/03/11/30/182031130.db2.gz FWDWJYVLLCCLDI-GUYCJALGSA-N 1 0 305.393 3.847 50 0 DHAARO Fc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000016047105 182031167 /nfs/dbraw/zinc/03/11/67/182031167.db2.gz FWDWJYVLLCCLDI-DYVFJYSZSA-N 1 0 305.393 3.847 50 0 DHAARO c1c(C[NH2+]C[C@H]2CCCO2)c2ccccc2n1Cc1ccccc1 ZINC000016577729 182049847 /nfs/dbraw/zinc/04/98/47/182049847.db2.gz MRUNHYFQUNONMV-LJQANCHMSA-N 1 0 320.436 3.958 50 0 DHAARO CCCCc1ccc(C(=O)NC2CC[NH+](CCC)CC2)cc1 ZINC000016603250 182052353 /nfs/dbraw/zinc/05/23/53/182052353.db2.gz IVYGHLIDYBYMDM-UHFFFAOYSA-N 1 0 302.462 3.633 50 0 DHAARO CCC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000016606809 182053037 /nfs/dbraw/zinc/05/30/37/182053037.db2.gz YJLAFHUKUSMRLZ-INIZCTEOSA-N 1 0 302.462 3.512 50 0 DHAARO COc1ccc(OC)c(/C=C/c2cc3ccccc3c[n+]2C)c1 ZINC000017046591 182070967 /nfs/dbraw/zinc/07/09/67/182070967.db2.gz JFYHPNHNNNHAFM-CMDGGOBGSA-N 1 0 306.385 3.852 50 0 DHAARO COc1ccc(-c2c[n+](Cc3ccccc3C)c3n2CCC3)cc1 ZINC000017015848 182068308 /nfs/dbraw/zinc/06/83/08/182068308.db2.gz PSHJYNSYCZRCQL-UHFFFAOYSA-N 1 0 319.428 3.754 50 0 DHAARO CCc1ccc(CN2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000019359442 182119260 /nfs/dbraw/zinc/11/92/60/182119260.db2.gz IOSGVSNXYJVSHE-XLIONFOSSA-N 1 0 300.490 3.945 50 0 DHAARO CSc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000019636204 182134477 /nfs/dbraw/zinc/13/44/77/182134477.db2.gz DZBMYDDGPWFNPS-UHFFFAOYSA-N 1 0 314.498 3.972 50 0 DHAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2CC)C1 ZINC000019744989 182142146 /nfs/dbraw/zinc/14/21/46/182142146.db2.gz LWASBAYXMLHKKB-QGZVFWFLSA-N 1 0 313.445 3.750 50 0 DHAARO CCc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000019842349 182155555 /nfs/dbraw/zinc/15/55/55/182155555.db2.gz YPHIJDNOBUJWNZ-UHFFFAOYSA-N 1 0 308.469 3.875 50 0 DHAARO CCc1ccc(CN2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000019842376 182156047 /nfs/dbraw/zinc/15/60/47/182156047.db2.gz IOSGVSNXYJVSHE-YLJYHZDGSA-N 1 0 300.490 3.945 50 0 DHAARO CN(C)CC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000020018569 182179016 /nfs/dbraw/zinc/17/90/16/182179016.db2.gz KXPUBGLGWRCVAE-UHFFFAOYSA-N 1 0 313.228 3.905 50 0 DHAARO Cc1ccc(C(C)(C)C)c(OCCCC[NH+]2CCOCC2)c1 ZINC000020118031 182188163 /nfs/dbraw/zinc/18/81/63/182188163.db2.gz YEZAYCRNIHBAPE-UHFFFAOYSA-N 1 0 305.462 3.784 50 0 DHAARO CC(C)C[C@H](C[NH2+]Cc1cc(Br)cs1)N(C)C ZINC000020475170 182221738 /nfs/dbraw/zinc/22/17/38/182221738.db2.gz NUFJTYTWRVJGHP-GFCCVEGCSA-N 1 0 319.312 3.577 50 0 DHAARO Cc1noc(C)c1CC[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000020535768 182227683 /nfs/dbraw/zinc/22/76/83/182227683.db2.gz HEKHPJKHJJRPOZ-UHFFFAOYSA-N 1 0 308.425 3.895 50 0 DHAARO CC[NH+](CC)CCNc1ccc(-c2ccc(Cl)cc2)nn1 ZINC000020724130 182243355 /nfs/dbraw/zinc/24/33/55/182243355.db2.gz ACDLKJFAKOEQLH-UHFFFAOYSA-N 1 0 304.825 3.551 50 0 DHAARO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cc(C)nc2cc(F)ccc12 ZINC000020998309 182257987 /nfs/dbraw/zinc/25/79/87/182257987.db2.gz AVJKBSOOCNNVOF-UHFFFAOYSA-N 1 0 312.392 3.654 50 0 DHAARO c1ccc2c(c1)c1ccccc1n2CCCC[NH+]1CCOCC1 ZINC000023115171 182348364 /nfs/dbraw/zinc/34/83/64/182348364.db2.gz BJYKBXZJXQCXRU-UHFFFAOYSA-N 1 0 308.425 3.907 50 0 DHAARO FC(F)(F)CCC[NH2+][C@@H]1CCCN(CC2CCCCC2)C1 ZINC000023358507 182358805 /nfs/dbraw/zinc/35/88/05/182358805.db2.gz RGDMUEHPOQKTJY-OAHLLOKOSA-N 1 0 306.416 3.963 50 0 DHAARO CC(C)[C@@H](CNC(=O)Nc1ccccc1)[NH+]1CCCCCC1 ZINC000024989864 182397588 /nfs/dbraw/zinc/39/75/88/182397588.db2.gz JPJCQRSLVWIDOE-QGZVFWFLSA-N 1 0 303.450 3.709 50 0 DHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1ccccc1 ZINC000027580704 182480949 /nfs/dbraw/zinc/48/09/49/182480949.db2.gz OTTZSKGLDYXAOQ-INIZCTEOSA-N 1 0 314.454 3.705 50 0 DHAARO O[C@@](CCC[NH+]1CCCCC1)(c1ccccc1)c1ccccn1 ZINC000029557237 182570186 /nfs/dbraw/zinc/57/01/86/182570186.db2.gz AMDGFYHJCHHTOS-FQEVSTJZSA-N 1 0 310.441 3.584 50 0 DHAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000030715713 182596719 /nfs/dbraw/zinc/59/67/19/182596719.db2.gz DNQIIQIIZORKLQ-UHFFFAOYSA-N 1 0 312.413 3.789 50 0 DHAARO [NH3+]Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000031974079 182630488 /nfs/dbraw/zinc/63/04/88/182630488.db2.gz XTCLQMLQNKOLLH-UHFFFAOYSA-N 1 0 310.378 3.665 50 0 DHAARO COc1cc(C[NH2+]Cc2ccc(C)cc2C)cc(OC)c1OC ZINC000039979623 183026851 /nfs/dbraw/zinc/02/68/51/183026851.db2.gz ITZXZYVTYKVAAW-UHFFFAOYSA-N 1 0 315.413 3.619 50 0 DHAARO CCC[N@H+](CC(=O)N(C)Cc1ccsc1)Cc1ccccc1 ZINC000039985882 183026919 /nfs/dbraw/zinc/02/69/19/183026919.db2.gz WHRFKOMMXLAQAQ-UHFFFAOYSA-N 1 0 316.470 3.619 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000040007694 183027684 /nfs/dbraw/zinc/02/76/84/183027684.db2.gz LMFVHFTYVVTBIC-WMZOPIPTSA-N 1 0 300.446 3.542 50 0 DHAARO O=C(CCC1CCCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000040160850 183041108 /nfs/dbraw/zinc/04/11/08/183041108.db2.gz XALISLPCKDERLD-KRWDZBQOSA-N 1 0 318.461 3.893 50 0 DHAARO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000040110338 183037217 /nfs/dbraw/zinc/03/72/17/183037217.db2.gz ZMQBFUQUPRFWIQ-KRWDZBQOSA-N 1 0 322.452 3.815 50 0 DHAARO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000040449152 183068185 /nfs/dbraw/zinc/06/81/85/183068185.db2.gz MTFCVOVRLIBVAP-HZPDHXFCSA-N 1 0 304.434 3.612 50 0 DHAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCOc3ccccc32)o1 ZINC000042952328 183320513 /nfs/dbraw/zinc/32/05/13/183320513.db2.gz YSASKFYNBMHVIS-HNNXBMFYSA-N 1 0 309.369 3.592 50 0 DHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000042959983 183323887 /nfs/dbraw/zinc/32/38/87/183323887.db2.gz DFZUBZOXCPZJDB-KGLIPLIRSA-N 1 0 324.350 3.682 50 0 DHAARO CCc1cc(Br)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770209 183307300 /nfs/dbraw/zinc/30/73/00/183307300.db2.gz BFUPUDZRJKIOBX-CQSZACIVSA-N 1 0 312.251 3.923 50 0 DHAARO CC(C)(C)c1cc(Br)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042774657 183307730 /nfs/dbraw/zinc/30/77/30/183307730.db2.gz PNTATGWUCJORQL-LBPRGKRZSA-N 1 0 312.251 3.877 50 0 DHAARO c1coc(-c2noc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)n2)c1 ZINC000044088508 183394749 /nfs/dbraw/zinc/39/47/49/183394749.db2.gz RQKNZQRLWLKFDZ-HNNXBMFYSA-N 1 0 309.369 3.537 50 0 DHAARO CC[C@H](C)[N@H+](C)CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000106532048 194225988 /nfs/dbraw/zinc/22/59/88/194225988.db2.gz UPGMDYHXTQQDAH-JKSUJKDBSA-N 1 0 304.478 3.793 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000106799366 194254267 /nfs/dbraw/zinc/25/42/67/194254267.db2.gz PBDNONQNQCANRD-DLBZAZTESA-N 1 0 315.461 3.805 50 0 DHAARO CC[NH+](CC)CCCC(=O)NCC1(c2ccccc2)CCCC1 ZINC000051330960 183823646 /nfs/dbraw/zinc/82/36/46/183823646.db2.gz ZASQGHJCLRZSOY-UHFFFAOYSA-N 1 0 316.489 3.737 50 0 DHAARO CC(C)C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccccn1 ZINC000110704190 194352433 /nfs/dbraw/zinc/35/24/33/194352433.db2.gz HRWWUTPLMCKERL-SZMVWBNQSA-N 1 0 320.502 3.813 50 0 DHAARO Oc1cccc([C@H](O)C[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000057354887 184035422 /nfs/dbraw/zinc/03/54/22/184035422.db2.gz FSRDJXXZGAOXAK-OAHLLOKOSA-N 1 0 312.196 3.522 50 0 DHAARO CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000058086863 184074098 /nfs/dbraw/zinc/07/40/98/184074098.db2.gz IZNOMXSITZRZIS-ZWKOTPCHSA-N 1 0 314.473 3.603 50 0 DHAARO COc1cc(C[NH2+]C(C)(C)c2ccccc2)cc(OC)c1OC ZINC000057994452 184065501 /nfs/dbraw/zinc/06/55/01/184065501.db2.gz DFKFOQYTNASRIV-UHFFFAOYSA-N 1 0 315.413 3.737 50 0 DHAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1CO ZINC000058163583 184083233 /nfs/dbraw/zinc/08/32/33/184083233.db2.gz ITTPOYMGMCARKP-UHFFFAOYSA-N 1 0 307.393 3.631 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000058160749 184081896 /nfs/dbraw/zinc/08/18/96/184081896.db2.gz GWKFRPFDMSUKOX-HNAYVOBHSA-N 1 0 320.436 3.631 50 0 DHAARO CCc1ccsc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000059982684 184143390 /nfs/dbraw/zinc/14/33/90/184143390.db2.gz XVVRGHJYPHQIEL-OKILXGFUSA-N 1 0 322.518 3.797 50 0 DHAARO CCOCCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000062640009 184246183 /nfs/dbraw/zinc/24/61/83/184246183.db2.gz APZNVAFVAGFNPD-UHFFFAOYSA-N 1 0 318.461 3.816 50 0 DHAARO C[N@H+](CCc1ccccn1)Cc1csc(Br)c1 ZINC000064994252 184307658 /nfs/dbraw/zinc/30/76/58/184307658.db2.gz ROFIALYRZCCSKR-UHFFFAOYSA-N 1 0 311.248 3.580 50 0 DHAARO CC(=O)Nc1ccc(C[N@@H+](C)Cc2cccc3cnccc32)cc1 ZINC000065372606 184330170 /nfs/dbraw/zinc/33/01/70/184330170.db2.gz GVJXNZXOYTYNAX-UHFFFAOYSA-N 1 0 319.408 3.825 50 0 DHAARO Cc1nccn1-c1ccccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000065435440 184344591 /nfs/dbraw/zinc/34/45/91/184344591.db2.gz VIAFHZNNXXEKBF-FQEVSTJZSA-N 1 0 317.436 3.828 50 0 DHAARO COc1cccc(C[C@H](C)[NH2+]Cc2nn(C)c3ccc(C)cc23)c1 ZINC000065466603 184350337 /nfs/dbraw/zinc/35/03/37/184350337.db2.gz LPMJDPMQUHQCQG-HNNXBMFYSA-N 1 0 323.440 3.611 50 0 DHAARO COc1ccc(OCC[NH2+][C@H](C)c2cc(F)cc(F)c2)cc1 ZINC000065406188 184338462 /nfs/dbraw/zinc/33/84/62/184338462.db2.gz SNWZUKCZFWUISY-GFCCVEGCSA-N 1 0 307.340 3.703 50 0 DHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)C1 ZINC000299739302 532984718 /nfs/dbraw/zinc/98/47/18/532984718.db2.gz NCZUIKOAHMTTGZ-NVXWUHKLSA-N 1 0 308.425 3.553 50 0 DHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000399064596 257234791 /nfs/dbraw/zinc/23/47/91/257234791.db2.gz PZKGNODEBBBYMR-ZWNOBZJWSA-N 1 0 315.244 3.880 50 0 DHAARO C[C@H](c1cccc(-c2csc(C(N)=O)c2)c1)[NH+]1CCCC1 ZINC000426621865 257245442 /nfs/dbraw/zinc/24/54/42/257245442.db2.gz XVKZDNKNFQYUGS-GFCCVEGCSA-N 1 0 300.427 3.671 50 0 DHAARO CC[C@@H](C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000408514006 257256017 /nfs/dbraw/zinc/25/60/17/257256017.db2.gz HUZNJIMUIFUYTB-MSOLQXFVSA-N 1 0 317.473 3.698 50 0 DHAARO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc([S@](C)=O)cc1 ZINC000252476769 257258982 /nfs/dbraw/zinc/25/89/82/257258982.db2.gz BBRREWZPCAPMSZ-WHECPESLSA-N 1 0 317.429 3.901 50 0 DHAARO FC(F)Oc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000284005283 131040000 /nfs/dbraw/zinc/04/00/00/131040000.db2.gz DSPQQJDZWPVQDR-UHFFFAOYSA-N 1 0 311.372 3.681 50 0 DHAARO CC(C)Oc1ccc([C@H](C)[NH2+]CCn2ccnc2)cc1Cl ZINC000284461674 131082135 /nfs/dbraw/zinc/08/21/35/131082135.db2.gz TXOIAXMEJDXCLE-ZDUSSCGKSA-N 1 0 307.825 3.675 50 0 DHAARO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000375270726 337006989 /nfs/dbraw/zinc/00/69/89/337006989.db2.gz WTRGNMQPPAGTMV-KRWDZBQOSA-N 1 0 311.429 3.531 50 0 DHAARO c1ccc2c(C[NH2+]Cc3ccc4c(n3)CCCC4)ccnc2c1 ZINC000571846695 337579624 /nfs/dbraw/zinc/57/96/24/337579624.db2.gz MLVLUXWHNXMSLO-UHFFFAOYSA-N 1 0 303.409 3.798 50 0 DHAARO C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000237434719 526110408 /nfs/dbraw/zinc/11/04/08/526110408.db2.gz XCXBACQGNHRYGS-FRRDWIJNSA-N 1 0 306.837 3.519 50 0 DHAARO c1ccc(C[NH+]2CCC(c3nc(-c4ccncc4)no3)CC2)cc1 ZINC000265015142 526468658 /nfs/dbraw/zinc/46/86/58/526468658.db2.gz QZXDLOUECUSCGT-UHFFFAOYSA-N 1 0 320.396 3.511 50 0 DHAARO Nc1cc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)ccn1 ZINC000191609748 527450176 /nfs/dbraw/zinc/45/01/76/527450176.db2.gz NVBMEHJYMHHABG-INIZCTEOSA-N 1 0 321.346 3.924 50 0 DHAARO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058581645 563699421 /nfs/dbraw/zinc/69/94/21/563699421.db2.gz KQJHYRJEUXJJMC-HOCLYGCPSA-N 1 0 323.483 3.524 50 0 DHAARO FC(F)(F)[C@@H]1CCCn2c(C[NH2+]C3CCCCCC3)nnc21 ZINC000089818913 563911549 /nfs/dbraw/zinc/91/15/49/563911549.db2.gz WJPJXKXVDLIUOF-GFCCVEGCSA-N 1 0 316.371 3.530 50 0 DHAARO [NH3+]CCCCCc1nnc(SCc2cccc(Cl)c2)o1 ZINC000002447935 563928787 /nfs/dbraw/zinc/92/87/87/563928787.db2.gz MFZVPDAARLDYSD-UHFFFAOYSA-N 1 0 311.838 3.687 50 0 DHAARO C[C@H]([NH2+]Cc1ccccc1OCCO)c1ccc(Cl)cc1 ZINC000095423118 563931392 /nfs/dbraw/zinc/93/13/92/563931392.db2.gz ACXANRNFUZOSLQ-ZDUSSCGKSA-N 1 0 305.805 3.562 50 0 DHAARO Cc1cccc([C@@H](CNC(=O)c2sccc2Cl)[NH+](C)C)c1 ZINC000067974060 563493744 /nfs/dbraw/zinc/49/37/44/563493744.db2.gz SGSNSWSQHFSUQZ-CQSZACIVSA-N 1 0 322.861 3.743 50 0 DHAARO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000071882093 563211559 /nfs/dbraw/zinc/21/15/59/563211559.db2.gz JLCKUUIPVBODSH-NEPJUHHUSA-N 1 0 316.430 3.647 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000000172187 563227480 /nfs/dbraw/zinc/22/74/80/563227480.db2.gz JQFKINPDTOTJME-UHFFFAOYSA-N 1 0 306.203 3.748 50 0 DHAARO O[C@](CC[NH+]1CCCCC1)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000000968361 563273138 /nfs/dbraw/zinc/27/31/38/563273138.db2.gz YSXKPIUOCJLQIE-YXYSEUPNSA-N 1 0 311.469 3.962 50 0 in-vitro DHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000001226168 563280203 /nfs/dbraw/zinc/28/02/03/563280203.db2.gz VZLZWBUPBPQWIB-FLXZHSAZSA-N 1 0 314.473 3.670 50 0 DHAARO CCCC[NH+](CCCC)CCCOC(=O)c1ccc(N)cc1 ZINC000001596184 563287021 /nfs/dbraw/zinc/28/70/21/563287021.db2.gz HQFWVSGBVLEQGA-UHFFFAOYSA-N 1 0 306.450 3.718 50 0 world DHAARO O=C(c1ccco1)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000001741582 563294770 /nfs/dbraw/zinc/29/47/70/563294770.db2.gz GQFFAYCZGIIWGJ-UHFFFAOYSA-N 1 0 324.424 3.549 50 0 DHAARO Cc1ccccc1C(O)(c1ccccc1C)[C@@H]1C[NH+]2CCC1CC2 ZINC000001846272 563296465 /nfs/dbraw/zinc/29/64/65/563296465.db2.gz OXDOWGVJMITMJL-OAQYLSRUSA-N 1 0 321.464 3.881 50 0 in-man DHAARO Cc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000002242310 563302163 /nfs/dbraw/zinc/30/21/63/563302163.db2.gz CVKGOQOMLHNQRP-UHFFFAOYSA-N 1 0 319.518 3.899 50 0 DHAARO CCC[NH+](CCC)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000002665516 563311179 /nfs/dbraw/zinc/31/11/79/563311179.db2.gz ZJRPTUFWNFAMSR-GOSISDBHSA-N 1 0 301.430 3.702 50 0 DHAARO CC(C)(C)[NH2+]CCOc1ccc(Cl)cc1Br ZINC000003000587 563320448 /nfs/dbraw/zinc/32/04/48/563320448.db2.gz HLLXUDJNBZNMOI-UHFFFAOYSA-N 1 0 306.631 3.869 50 0 DHAARO Cc1csc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000010555342 563326389 /nfs/dbraw/zinc/32/63/89/563326389.db2.gz OJAUWEOVOAKQIM-UHFFFAOYSA-N 1 0 315.442 3.690 50 0 DHAARO COc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000004980923 563328296 /nfs/dbraw/zinc/32/82/96/563328296.db2.gz BFHWYRKGRCTYGL-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO Cc1cccc(N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1C ZINC000004981316 563328429 /nfs/dbraw/zinc/32/84/29/563328429.db2.gz NVJASHAARYNZFK-OAQYLSRUSA-N 1 0 320.480 3.983 50 0 DHAARO CCC[C@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 ZINC000010436138 563356966 /nfs/dbraw/zinc/35/69/66/563356966.db2.gz DBENSXQUUYTFGK-KRWDZBQOSA-N 1 0 323.440 3.508 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)[nH]1 ZINC000011664856 563358718 /nfs/dbraw/zinc/35/87/18/563358718.db2.gz XYDAALYRHDJYIK-HNNXBMFYSA-N 1 0 319.399 3.841 50 0 DHAARO C/C=C(\C)C[N@H+]1CCC[C@@H](C(=O)c2ccc(OC)cc2OC)C1 ZINC000011814582 563359069 /nfs/dbraw/zinc/35/90/69/563359069.db2.gz DRKSFIFSTIEDNU-ZXZGFYSFSA-N 1 0 317.429 3.565 50 0 DHAARO CC(C)/C=C/C[N@H+]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000011910277 563359870 /nfs/dbraw/zinc/35/98/70/563359870.db2.gz QRBUVXSKCGEILK-AATRIKPKSA-N 1 0 320.864 3.587 50 0 DHAARO Cc1c(C)n(Cc2ccncc2)c2[nH+]c3c(c(N)c12)CCCC3 ZINC000012321392 563366467 /nfs/dbraw/zinc/36/64/67/563366467.db2.gz VCEIXEZLSVAAAJ-UHFFFAOYSA-N 1 0 306.413 3.557 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012382527 563367762 /nfs/dbraw/zinc/36/77/62/563367762.db2.gz OUZZSIOQTSNTTI-UHFFFAOYSA-N 1 0 315.244 3.596 50 0 DHAARO CC(=O)c1ccc(N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000012385108 563368549 /nfs/dbraw/zinc/36/85/49/563368549.db2.gz GTTRUHLJEHMXKG-KXBFYZLASA-N 1 0 300.446 3.590 50 0 DHAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]CC2CC2)c1 ZINC000012432903 563369269 /nfs/dbraw/zinc/36/92/69/563369269.db2.gz BCVLFDRRPFMNSD-MRXNPFEDSA-N 1 0 303.356 3.528 50 0 DHAARO COC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000012757455 563373338 /nfs/dbraw/zinc/37/33/38/563373338.db2.gz FMJSVIHXLPDVOH-UHFFFAOYSA-N 1 0 320.820 3.914 50 0 DHAARO CSCCC[NH2+][C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000012745085 563373362 /nfs/dbraw/zinc/37/33/62/563373362.db2.gz YPYSDXHLMYEKJO-ZDUSSCGKSA-N 1 0 321.515 3.608 50 0 DHAARO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012982365 563376258 /nfs/dbraw/zinc/37/62/58/563376258.db2.gz FNTXRPSAGWHVRI-LJQANCHMSA-N 1 0 324.424 3.521 50 0 DHAARO CCC[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000013324182 563380691 /nfs/dbraw/zinc/38/06/91/563380691.db2.gz VQDGYZXQIFQIIZ-UHFFFAOYSA-N 1 0 308.425 3.521 50 0 DHAARO Cc1ccccc1CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032754425 563390630 /nfs/dbraw/zinc/39/06/30/563390630.db2.gz RMMULUDPOQNXBO-OAHLLOKOSA-N 1 0 317.454 3.592 50 0 DHAARO Cc1c2ccccc2oc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000032781257 563393309 /nfs/dbraw/zinc/39/33/09/563393309.db2.gz VFLNEUICCIOSCQ-QGZVFWFLSA-N 1 0 322.408 3.774 50 0 DHAARO Cn1cc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000014952429 563404565 /nfs/dbraw/zinc/40/45/65/563404565.db2.gz XETJDGVDXPQSIJ-CQSZACIVSA-N 1 0 319.399 3.543 50 0 DHAARO c1nc(-c2ccccc2)sc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000014978054 563404777 /nfs/dbraw/zinc/40/47/77/563404777.db2.gz TXNRFINRRKIPGX-INIZCTEOSA-N 1 0 322.433 3.903 50 0 DHAARO COc1cccc(CC[C@@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)c1 ZINC000015064173 563406204 /nfs/dbraw/zinc/40/62/04/563406204.db2.gz KCQPXDPKKBRIMQ-KRWDZBQOSA-N 1 0 313.445 3.572 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000015257916 563408505 /nfs/dbraw/zinc/40/85/05/563408505.db2.gz DTKCMYBIRBVHBW-RYUDHWBXSA-N 1 0 305.809 3.868 50 0 DHAARO Cc1nc(CC[NH+]2CCC(Oc3cccc(F)c3)CC2)cs1 ZINC000020601622 563417507 /nfs/dbraw/zinc/41/75/07/563417507.db2.gz CXZZHMXGDFSNCY-UHFFFAOYSA-N 1 0 320.433 3.677 50 0 DHAARO CC[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000025553116 563423673 /nfs/dbraw/zinc/42/36/73/563423673.db2.gz SDWPQJDIGRLAPJ-BBRMVZONSA-N 1 0 308.853 3.782 50 0 DHAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2c(C)noc2C)c1 ZINC000027279698 563427482 /nfs/dbraw/zinc/42/74/82/563427482.db2.gz BSDKFRWJDHOBIW-KRWDZBQOSA-N 1 0 316.401 3.646 50 0 DHAARO Cc1ccc(C[N@H+](CCn2c3ccccc3oc2=O)C2CC2)cc1 ZINC000027595309 563428878 /nfs/dbraw/zinc/42/88/78/563428878.db2.gz NVOOEBMLDYRVLX-UHFFFAOYSA-N 1 0 322.408 3.568 50 0 DHAARO CC(C)c1nc([C@H]2CCC[N@@H+]([C@@H](C)c3ccncc3)C2)no1 ZINC000072277657 563432196 /nfs/dbraw/zinc/43/21/96/563432196.db2.gz DODPYHNGMGGWHD-ZFWWWQNUSA-N 1 0 300.406 3.529 50 0 DHAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCc2ccccc21 ZINC000029483171 563434802 /nfs/dbraw/zinc/43/48/02/563434802.db2.gz WWRKUHFXODCYFX-KRWDZBQOSA-N 1 0 314.816 3.898 50 0 DHAARO COc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)ccc1O ZINC000023279620 563449108 /nfs/dbraw/zinc/44/91/08/563449108.db2.gz LIYWCZOKNCNVPG-UHFFFAOYSA-N 1 0 321.420 3.961 50 0 DHAARO CC(C)[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000037031195 563458121 /nfs/dbraw/zinc/45/81/21/563458121.db2.gz FHQXRTLBKQJZHF-WMLDXEAASA-N 1 0 302.443 3.652 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1F ZINC000075132238 563459649 /nfs/dbraw/zinc/45/96/49/563459649.db2.gz AEHVWZXPZCSPHY-MRXNPFEDSA-N 1 0 317.408 3.522 50 0 DHAARO CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000033028946 563467937 /nfs/dbraw/zinc/46/79/37/563467937.db2.gz IHXACGYPPGLOPZ-UXHICEINSA-N 1 0 324.468 3.989 50 0 DHAARO CCOc1ccccc1C[N@H+](Cc1cccc2nonc21)C1CC1 ZINC000055154299 563471537 /nfs/dbraw/zinc/47/15/37/563471537.db2.gz GMVNALAHVNAZOD-UHFFFAOYSA-N 1 0 323.396 3.786 50 0 DHAARO CSc1ccc(C[N@@H+](C/C=C/c2ccco2)CCO)cc1 ZINC000055360236 563474449 /nfs/dbraw/zinc/47/44/49/563474449.db2.gz VWPVCWYOZDLAGS-DUXPYHPUSA-N 1 0 303.427 3.509 50 0 DHAARO CCN(CC[NH+]1CCCCCC1)Cc1cccc2cnccc21 ZINC000055392994 563475012 /nfs/dbraw/zinc/47/50/12/563475012.db2.gz ZUHPFVGUXYHRAP-UHFFFAOYSA-N 1 0 311.473 3.933 50 0 DHAARO Cc1ccsc1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000055543651 563476489 /nfs/dbraw/zinc/47/64/89/563476489.db2.gz PXTREVYMEZGSII-UHFFFAOYSA-N 1 0 300.471 3.996 50 0 DHAARO C/C=C/C=C\C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000096401015 563479694 /nfs/dbraw/zinc/47/96/94/563479694.db2.gz PRSDPGKUVCNZAC-ICWBMWKASA-N 1 0 316.470 3.615 50 0 DHAARO Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000096491517 563485508 /nfs/dbraw/zinc/48/55/08/563485508.db2.gz AUCNKYMJRVVRFD-AWEZNQCLSA-N 1 0 321.852 3.598 50 0 DHAARO C[C@H](c1cccc(-c2nccn2CCc2ccccn2)c1)[NH+](C)C ZINC000067447071 563487453 /nfs/dbraw/zinc/48/74/53/563487453.db2.gz OADKLFFAUSWJGQ-MRXNPFEDSA-N 1 0 320.440 3.810 50 0 DHAARO CCCc1nc(C[NH2+][C@H]2CCc3ccc(OC)cc3C2)cs1 ZINC000067833787 563491663 /nfs/dbraw/zinc/49/16/63/563491663.db2.gz BLIMTGPHLHJYNS-HNNXBMFYSA-N 1 0 316.470 3.751 50 0 DHAARO c1cn(CC[NH+]2CCCCC2)c(-c2ccc3ccccc3n2)n1 ZINC000067821840 563491719 /nfs/dbraw/zinc/49/17/19/563491719.db2.gz RRGZKCIVKQRJJS-UHFFFAOYSA-N 1 0 306.413 3.584 50 0 DHAARO CC[C@@H](Nc1nc(C)nc2c1CC[NH2+]C2)c1ccc(C)cc1C ZINC000067843198 563492701 /nfs/dbraw/zinc/49/27/01/563492701.db2.gz QHYVOPOURXGAGT-QGZVFWFLSA-N 1 0 310.445 3.611 50 0 DHAARO Cc1ccc(-c2ccccc2N2CC[NH2+]CC2)c2cccnc12 ZINC000067881766 563493577 /nfs/dbraw/zinc/49/35/77/563493577.db2.gz FIKAYVOTUSBCQN-UHFFFAOYSA-N 1 0 303.409 3.620 50 0 DHAARO O=C(Nc1cccc(Cl)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128912 563496961 /nfs/dbraw/zinc/49/69/61/563496961.db2.gz FMOAVOBQKHLMHV-UHFFFAOYSA-N 1 0 315.804 3.590 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)n1C ZINC000071762456 563500807 /nfs/dbraw/zinc/50/08/07/563500807.db2.gz TYDGDCVGZGQASI-KRWDZBQOSA-N 1 0 315.436 3.712 50 0 DHAARO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[NH2+]1 ZINC000072343479 563503770 /nfs/dbraw/zinc/50/37/70/563503770.db2.gz YGICTQDVZKMGGF-CYBMUJFWSA-N 1 0 316.470 3.678 50 0 DHAARO c1cc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000097056998 563504107 /nfs/dbraw/zinc/50/41/07/563504107.db2.gz JOLRAJSQTZKBJR-OTWHNJEPSA-N 1 0 312.482 3.748 50 0 DHAARO CCCCC[NH2+]Cc1cnc(SC)nc1N(C)CCCC ZINC000022314351 563504585 /nfs/dbraw/zinc/50/45/85/563504585.db2.gz OZBYLGAXVOQNKG-UHFFFAOYSA-N 1 0 310.511 3.715 50 0 DHAARO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CCCCC2(C)C)o1 ZINC000097099913 563506322 /nfs/dbraw/zinc/50/63/22/563506322.db2.gz MLPHRDIDRQXACK-OAHLLOKOSA-N 1 0 315.417 3.804 50 0 DHAARO CCO[C@H]1C[C@@H]([NH2+]Cc2nc3ccccc3o2)C1(CC)CC ZINC000097164319 563507434 /nfs/dbraw/zinc/50/74/34/563507434.db2.gz LLMUKIKUYXFHMS-CVEARBPZSA-N 1 0 302.418 3.901 50 0 DHAARO CSCc1ccc(N2CCC(C3CC[NH+](C)CC3)CC2)nc1 ZINC000077376490 563509351 /nfs/dbraw/zinc/50/93/51/563509351.db2.gz RKDNSAKTULVVNP-UHFFFAOYSA-N 1 0 319.518 3.503 50 0 DHAARO Cc1cc(N2CCC[C@H](Cn3ccnc3)C2)c2ccccc2[nH+]1 ZINC000077378296 563509476 /nfs/dbraw/zinc/50/94/76/563509476.db2.gz KZXUUKOYNGVJSF-MRXNPFEDSA-N 1 0 306.413 3.656 50 0 DHAARO COc1ccc([C@@H]([NH2+][C@@H]2C=CCCC2)C2CCOCC2)cc1 ZINC000097230814 563514412 /nfs/dbraw/zinc/51/44/12/563514412.db2.gz USFZEQPIOOKLGJ-IEBWSBKVSA-N 1 0 301.430 3.861 50 0 DHAARO c1cc(Oc2ccccc2)oc1C[NH+]1CCC(n2cncn2)CC1 ZINC000097236365 563514502 /nfs/dbraw/zinc/51/45/02/563514502.db2.gz UCTSGSIQIMKRIW-UHFFFAOYSA-N 1 0 324.384 3.501 50 0 DHAARO C[C@H](Nc1ccccc1C[NH+]1CCC(O)CC1)C1CCCC1 ZINC000097037806 563516615 /nfs/dbraw/zinc/51/66/15/563516615.db2.gz NKZBLALATLUDHY-HNNXBMFYSA-N 1 0 302.462 3.634 50 0 DHAARO Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccsc2)c1 ZINC000011438409 563527073 /nfs/dbraw/zinc/52/70/73/563527073.db2.gz SYDIXVPWBUUVHO-AWEZNQCLSA-N 1 0 302.443 3.824 50 0 DHAARO C[C@H](c1ccc(-c2cnc3cccnn32)cc1)[NH+]1CCCCC1 ZINC000096130414 563533614 /nfs/dbraw/zinc/53/36/14/563533614.db2.gz AEOYWYICVREAFU-OAHLLOKOSA-N 1 0 306.413 3.943 50 0 DHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000096179597 563535834 /nfs/dbraw/zinc/53/58/34/563535834.db2.gz BTJPRCLRVJRLQG-CYBMUJFWSA-N 1 0 309.841 3.596 50 0 DHAARO CC[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000072307018 563558584 /nfs/dbraw/zinc/55/85/84/563558584.db2.gz NIGGZDINOBZLBW-HNNXBMFYSA-N 1 0 320.502 3.996 50 0 DHAARO COC(=O)CN1C(C)=[NH+]c2ccccc2[C@H]1c1ccc(C)cc1 ZINC000072314629 563567128 /nfs/dbraw/zinc/56/71/28/563567128.db2.gz MFHZNJGEYIOSRG-LJQANCHMSA-N 1 0 308.381 3.623 50 0 DHAARO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)CC(C)(C)C1 ZINC000247860758 563574119 /nfs/dbraw/zinc/57/41/19/563574119.db2.gz FWSHCMODWGVIGW-ICUGJSFKSA-N 1 0 311.510 3.842 50 0 DHAARO CCCOc1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113398865 563581646 /nfs/dbraw/zinc/58/16/46/563581646.db2.gz ZXENBJSMKZXRAT-UHFFFAOYSA-N 1 0 309.413 3.684 50 0 DHAARO CCOc1ccc(C[NH2+]CCCOc2ccccn2)cc1Cl ZINC000113396794 563581980 /nfs/dbraw/zinc/58/19/80/563581980.db2.gz UHGHDNFCIXABSR-UHFFFAOYSA-N 1 0 320.820 3.692 50 0 DHAARO Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000000261007 563583619 /nfs/dbraw/zinc/58/36/19/563583619.db2.gz VVYFKXIWLPGKGE-UHFFFAOYSA-N 1 0 319.518 3.805 50 0 DHAARO CC(C)(C)c1ccc(CC[C@@H]2OC[C@H](C[NH+]3CCCC3)O2)cc1 ZINC000000313347 563587725 /nfs/dbraw/zinc/58/77/25/563587725.db2.gz CIMCOJULBOGSHT-RBUKOAKNSA-N 1 0 317.473 3.754 50 0 DHAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000247883898 563588623 /nfs/dbraw/zinc/58/86/23/563588623.db2.gz SFWUABOBSKXHPT-DAYGRLMNSA-N 1 0 318.436 3.752 50 0 DHAARO COc1ccc([C@@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000340717 563589342 /nfs/dbraw/zinc/58/93/42/563589342.db2.gz DEEATEZDZDETJW-WOJBJXKFSA-N 1 0 311.425 3.608 50 0 DHAARO c1c[nH]c(CNc2ccc(N3CCc4sccc4C3)cc2)n1 ZINC000127586790 563604340 /nfs/dbraw/zinc/60/43/40/563604340.db2.gz PHAVUWNLYMRJDR-UHFFFAOYSA-N 1 0 310.426 3.646 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1cc(F)c(F)c(F)c1 ZINC000151859998 563622899 /nfs/dbraw/zinc/62/28/99/563622899.db2.gz YDAQVJHSSZTEDU-NWDGAFQWSA-N 1 0 300.368 3.629 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccs1)c1ccsc1 ZINC000046940475 563677924 /nfs/dbraw/zinc/67/79/24/563677924.db2.gz BNGDZTJDKDRNRX-HNNXBMFYSA-N 1 0 322.499 3.551 50 0 DHAARO COc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](C)C3)o2)cc1 ZINC000108976468 563690044 /nfs/dbraw/zinc/69/00/44/563690044.db2.gz KNYRMWUXLFGZMI-QWHCGFSZSA-N 1 0 301.390 3.538 50 0 DHAARO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc2ccccc21 ZINC000048225103 563694145 /nfs/dbraw/zinc/69/41/45/563694145.db2.gz LIVXXRDCVOXLJO-HNNXBMFYSA-N 1 0 313.470 3.611 50 0 DHAARO CC(C)CCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000048288703 563694755 /nfs/dbraw/zinc/69/47/55/563694755.db2.gz SNPWWFUHIOHFID-UHFFFAOYSA-N 1 0 316.489 3.971 50 0 DHAARO OC1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000048367968 563698330 /nfs/dbraw/zinc/69/83/30/563698330.db2.gz JGPZPHUYETUESX-UHFFFAOYSA-N 1 0 305.805 3.993 50 0 DHAARO C[N@H+](CCC[C@H]1CCCO1)Cc1ccccc1OC(F)(F)F ZINC000215262694 563704025 /nfs/dbraw/zinc/70/40/25/563704025.db2.gz BFLFUHAWWCSMBS-AWEZNQCLSA-N 1 0 317.351 3.976 50 0 DHAARO C[N@H+](Cc1cnc(C2CCCCC2)nc1)C1CCSCC1 ZINC000215728904 563706863 /nfs/dbraw/zinc/70/68/63/563706863.db2.gz IJJYEDONAIMDBN-UHFFFAOYSA-N 1 0 305.491 3.852 50 0 DHAARO CCn1ccc2cc(CN3CC[C@@H]([NH+]4CCCCC4)C3)ccc21 ZINC000215855580 563707293 /nfs/dbraw/zinc/70/72/93/563707293.db2.gz BDDJRXQZDZGRGQ-LJQANCHMSA-N 1 0 311.473 3.721 50 0 DHAARO Cc1[nH]c2c(cccc2C[NH+]2CCN(c3cccnc3)CC2)c1C ZINC000215999604 563707663 /nfs/dbraw/zinc/70/76/63/563707663.db2.gz QGVCKRCMGBFHHA-UHFFFAOYSA-N 1 0 320.440 3.502 50 0 DHAARO COc1cccc(-c2c[nH+]c(NCc3cccc(F)c3)n2C)c1 ZINC000000819151 563721251 /nfs/dbraw/zinc/72/12/51/563721251.db2.gz NRVXHHOAHOFEJP-UHFFFAOYSA-N 1 0 311.360 3.847 50 0 DHAARO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000223493135 563734456 /nfs/dbraw/zinc/73/44/56/563734456.db2.gz OYRNELHJBAZFHY-INIZCTEOSA-N 1 0 314.454 3.516 50 0 DHAARO CCCCOCCOC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000225387546 563753339 /nfs/dbraw/zinc/75/33/39/563753339.db2.gz RPUASVJKSJZDIP-UHFFFAOYSA-N 1 0 307.434 3.502 50 0 DHAARO Cc1noc(C)c1CCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000225464555 563756151 /nfs/dbraw/zinc/75/61/51/563756151.db2.gz GJLNQGJJJPHQMB-UHFFFAOYSA-N 1 0 309.413 3.870 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000239302626 563775869 /nfs/dbraw/zinc/77/58/69/563775869.db2.gz FMTHLQDBSCILBQ-ICBNADEASA-N 1 0 311.510 3.557 50 0 DHAARO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000241121748 563776820 /nfs/dbraw/zinc/77/68/20/563776820.db2.gz JDQWVTNSQMTIOX-PIGZYNQJSA-N 1 0 309.331 3.970 50 0 DHAARO C1C[NH+]2CCCC2(c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1 ZINC000242304998 563778521 /nfs/dbraw/zinc/77/85/21/563778521.db2.gz YTYSFMDHVDKLNA-UHFFFAOYSA-N 1 0 313.445 3.622 50 0 DHAARO CSCC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000244685616 563778975 /nfs/dbraw/zinc/77/89/75/563778975.db2.gz ITNQCCVCBIJFPX-UHFFFAOYSA-N 1 0 315.486 3.662 50 0 DHAARO Cc1cc(C)n(-c2ccccc2C[N@H+](C)Cc2c(C)noc2C)n1 ZINC000244608505 563779220 /nfs/dbraw/zinc/77/92/20/563779220.db2.gz FDXRYDHKQQVOJL-UHFFFAOYSA-N 1 0 324.428 3.726 50 0 DHAARO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)C1CCSCC1 ZINC000244646983 563779344 /nfs/dbraw/zinc/77/93/44/563779344.db2.gz GSXIJAPYNRPQGS-UHFFFAOYSA-N 1 0 320.502 3.884 50 0 DHAARO CC(C)C[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248217932 563782563 /nfs/dbraw/zinc/78/25/63/563782563.db2.gz GWVHKMLICUNPEP-UHFFFAOYSA-N 1 0 320.440 3.739 50 0 DHAARO Cc1ccc(Cn2nc(C[NH2+]C(C)C)c(-c3ccccc3)n2)cc1 ZINC000248115837 563782604 /nfs/dbraw/zinc/78/26/04/563782604.db2.gz SFSKMJPPCPNUJL-UHFFFAOYSA-N 1 0 320.440 3.800 50 0 DHAARO Cc1cccc(Cn2cc(C[NH2+]CCN(C)C)c3ccccc32)c1 ZINC000248047236 563782881 /nfs/dbraw/zinc/78/28/81/563782881.db2.gz WQFPIVLHFTYKPY-UHFFFAOYSA-N 1 0 321.468 3.649 50 0 DHAARO Cc1c[nH]c(C[NH+]2CCC3(CCc4ccccc43)CC2)c(C)c1=O ZINC000253537132 563784273 /nfs/dbraw/zinc/78/42/73/563784273.db2.gz ZCJWLLKDHQYSMG-UHFFFAOYSA-N 1 0 322.452 3.884 50 0 DHAARO OC(Cc1ccccc1)(Cc1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000001258253 563809690 /nfs/dbraw/zinc/80/96/90/563809690.db2.gz KUXOALQEVYJOAF-OAQYLSRUSA-N 1 0 321.464 3.545 50 0 DHAARO CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccccn1 ZINC000084131217 563823825 /nfs/dbraw/zinc/82/38/25/563823825.db2.gz XMAZGNJJDOEIJH-SFHVURJKSA-N 1 0 306.413 3.788 50 0 DHAARO COc1cccc([C@H](CNc2nc3ccccc3o2)[NH+](C)C)c1 ZINC000012774888 563829180 /nfs/dbraw/zinc/82/91/80/563829180.db2.gz BDWOYWDOAQUQSF-INIZCTEOSA-N 1 0 311.385 3.551 50 0 DHAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000084714633 563829860 /nfs/dbraw/zinc/82/98/60/563829860.db2.gz XDUMUDSOHQQVSQ-DCGLDWPTSA-N 1 0 320.864 3.638 50 0 DHAARO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000103408242 563843499 /nfs/dbraw/zinc/84/34/99/563843499.db2.gz HNRNLAPQQPTQNZ-JKSUJKDBSA-N 1 0 321.461 3.841 50 0 DHAARO Cc1nc2sccn2c1C[NH2+]Cc1ccccc1OC(C)C ZINC000075127217 563860501 /nfs/dbraw/zinc/86/05/01/563860501.db2.gz KKDFIDKKLPVHQN-UHFFFAOYSA-N 1 0 315.442 3.781 50 0 DHAARO CC(C)[N@H+](Cc1csc([C@@H]2CCCO2)n1)[C@H]1CCCC[C@H]1O ZINC000239654518 563880396 /nfs/dbraw/zinc/88/03/96/563880396.db2.gz BODNXNGDKXODRO-XHSDSOJGSA-N 1 0 324.490 3.509 50 0 DHAARO C[C@H](CC[NH+](C)C)OC(=O)c1ccc([C@@H](C)c2ccccc2)o1 ZINC000001817504 563882014 /nfs/dbraw/zinc/88/20/14/563882014.db2.gz UQKRKNYMJLVFPM-CABCVRRESA-N 1 0 315.413 3.928 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1nccs1 ZINC000245630295 563882202 /nfs/dbraw/zinc/88/22/02/563882202.db2.gz ZPSIKNYSGPBYPP-GLQYFDAESA-N 1 0 321.877 3.893 50 0 DHAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCC2 ZINC000053997247 563882262 /nfs/dbraw/zinc/88/22/62/563882262.db2.gz BZXFXGPYTRKFTR-UHFFFAOYSA-N 1 0 323.440 3.559 50 0 DHAARO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)o1 ZINC000092662007 563882588 /nfs/dbraw/zinc/88/25/88/563882588.db2.gz SNPFBPXJLNNIRB-FHLIZLRMSA-N 1 0 319.445 3.563 50 0 DHAARO CC(=O)N(C)C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000092538693 563882764 /nfs/dbraw/zinc/88/27/64/563882764.db2.gz CBXLVFBCFJVVJG-UHFFFAOYSA-N 1 0 322.452 3.796 50 0 DHAARO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cccs1 ZINC000089289565 563883985 /nfs/dbraw/zinc/88/39/85/563883985.db2.gz OFLRPURJOYBZCI-ZDUSSCGKSA-N 1 0 302.443 3.817 50 0 DHAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C)c1 ZINC000036100736 563893521 /nfs/dbraw/zinc/89/35/21/563893521.db2.gz QHDFAFKRHQUOSM-HXUWFJFHSA-N 1 0 321.505 3.877 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036098770 563893888 /nfs/dbraw/zinc/89/38/88/563893888.db2.gz QVFNTCUEMSBHSV-MJGOQNOKSA-N 1 0 307.478 3.629 50 0 DHAARO Cc1cc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cs1 ZINC000006797713 563894818 /nfs/dbraw/zinc/89/48/18/563894818.db2.gz BEDXBIZWIDIXPB-UHFFFAOYSA-N 1 0 300.471 3.996 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000036408639 563898876 /nfs/dbraw/zinc/89/88/76/563898876.db2.gz RPLRJQNMFZPNEH-SJORKVTESA-N 1 0 305.462 3.733 50 0 DHAARO CCC[NH+](CCC)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000006937642 563900017 /nfs/dbraw/zinc/90/00/17/563900017.db2.gz RNLVJDZLYHIRIH-LBPRGKRZSA-N 1 0 320.260 3.855 50 0 DHAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000036477461 563900637 /nfs/dbraw/zinc/90/06/37/563900637.db2.gz CPFFPUOUXLYVBL-LPHOPBHVSA-N 1 0 308.425 3.701 50 0 DHAARO c1cc2c(cc1C[NH2+]CC13CC4CC(CC(C4)C1)C3)OCCO2 ZINC000170062225 563903312 /nfs/dbraw/zinc/90/33/12/563903312.db2.gz SNGKWMGZAXDJJQ-UHFFFAOYSA-N 1 0 313.441 3.764 50 0 DHAARO C[C@H]1CCCCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000007486617 563906663 /nfs/dbraw/zinc/90/66/63/563906663.db2.gz MHXDTKJROKZEHM-NSHDSACASA-N 1 0 300.324 3.518 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007486594 563906748 /nfs/dbraw/zinc/90/67/48/563906748.db2.gz BDROAGWGPAMHAE-LLVKDONJSA-N 1 0 300.324 3.518 50 0 DHAARO CC[NH+]1CCN(c2cccc(NCc3cc(C)oc3C)c2)CC1 ZINC000170608681 563907777 /nfs/dbraw/zinc/90/77/77/563907777.db2.gz QJHWBYIIVXLLTI-UHFFFAOYSA-N 1 0 313.445 3.650 50 0 DHAARO C[C@H](c1ccccc1F)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000170621410 563908547 /nfs/dbraw/zinc/90/85/47/563908547.db2.gz RBYVKULDBPYXQI-KDOFPFPSSA-N 1 0 314.404 3.825 50 0 DHAARO CCC(CC)C[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000013322739 563909526 /nfs/dbraw/zinc/90/95/26/563909526.db2.gz JTQWSRFBLLVGHZ-UHFFFAOYSA-N 1 0 323.868 3.926 50 0 DHAARO CCCC[NH+]1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000013322877 563909569 /nfs/dbraw/zinc/90/95/69/563909569.db2.gz XKCNPJYFZGBIHE-UHFFFAOYSA-N 1 0 309.841 3.598 50 0 DHAARO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1cccc(Cl)c1 ZINC000089840184 563911508 /nfs/dbraw/zinc/91/15/08/563911508.db2.gz ZSTKYRCWJCOFAW-KRWDZBQOSA-N 1 0 322.880 3.509 50 0 DHAARO CCC(=O)N1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000089941628 563912320 /nfs/dbraw/zinc/91/23/20/563912320.db2.gz HQAFOAAGOYZGMF-LJQANCHMSA-N 1 0 300.446 3.518 50 0 DHAARO CC[C@@H](C)[NH2+]CCOCCOc1cc(Cl)ccc1Cl ZINC000002824122 563913064 /nfs/dbraw/zinc/91/30/64/563913064.db2.gz FTQSZCYIXZUKBK-LLVKDONJSA-N 1 0 306.233 3.777 50 0 DHAARO CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252444227 563914867 /nfs/dbraw/zinc/91/48/67/563914867.db2.gz WLKDIYJMYUEKKD-CVEARBPZSA-N 1 0 316.445 3.536 50 0 DHAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCCCCCC1 ZINC000014915725 563915017 /nfs/dbraw/zinc/91/50/17/563915017.db2.gz FFCBIOARBWRECM-AWEZNQCLSA-N 1 0 308.853 3.611 50 0 DHAARO CC[C@H](C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1 ZINC000252509892 563916493 /nfs/dbraw/zinc/91/64/93/563916493.db2.gz YXPUPCSYOJCSCG-IBGZPJMESA-N 1 0 324.424 3.645 50 0 DHAARO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000252516765 563916700 /nfs/dbraw/zinc/91/67/00/563916700.db2.gz WTUXWCSSBUOUSE-AJYBTWMASA-N 1 0 318.505 3.987 50 0 DHAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252517695 563916870 /nfs/dbraw/zinc/91/68/70/563916870.db2.gz OTWPDRCIRATEGQ-BQFCYCMXSA-N 1 0 312.457 3.649 50 0 DHAARO C[C@H](CO)C[N@H+](Cc1ccccc1)Cc1cnc2ccccc2c1 ZINC000055042158 563926094 /nfs/dbraw/zinc/92/60/94/563926094.db2.gz UPYSFZPQWKDHHM-KRWDZBQOSA-N 1 0 320.436 3.865 50 0 DHAARO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000114988339 563927969 /nfs/dbraw/zinc/92/79/69/563927969.db2.gz DEZFOMKNEZXHRG-DLBZAZTESA-N 1 0 316.445 3.518 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000078897190 563930069 /nfs/dbraw/zinc/93/00/69/563930069.db2.gz WUUXTDPQBHAPPB-HNAYVOBHSA-N 1 0 310.441 3.576 50 0 DHAARO C[C@H]1CSc2ccccc2[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000095427077 563931669 /nfs/dbraw/zinc/93/16/69/563931669.db2.gz ZHTRDQRXRWNSCC-UGSOOPFHSA-N 1 0 302.487 3.686 50 0 DHAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000095939077 563931922 /nfs/dbraw/zinc/93/19/22/563931922.db2.gz URDKRSKXTKIGJA-QZTJIDSGSA-N 1 0 324.468 3.874 50 0 DHAARO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1nc2ccccc2s1 ZINC000095968351 563933145 /nfs/dbraw/zinc/93/31/45/563933145.db2.gz RFEAHHHXQUKTMJ-BZNIZROVSA-N 1 0 318.467 3.916 50 0 DHAARO CCN(CC)CC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000095976389 563933588 /nfs/dbraw/zinc/93/35/88/563933588.db2.gz QCRBTYKRRSWVGY-JTQLQIEISA-N 1 0 304.265 3.568 50 0 DHAARO FC(F)(F)c1ccccc1[C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000095982163 563934021 /nfs/dbraw/zinc/93/40/21/563934021.db2.gz RSWWXFCLNFZALM-DZGCQCFKSA-N 1 0 309.335 3.854 50 0 DHAARO COc1cccc2cc([C@H](C)[NH2+]C[C@](C)(O)c3ccco3)oc21 ZINC000095987950 563934207 /nfs/dbraw/zinc/93/42/07/563934207.db2.gz YJFMIKGXJIVNPK-SGTLLEGYSA-N 1 0 315.369 3.593 50 0 DHAARO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)c3ccsc3)oc21 ZINC000095987938 563934210 /nfs/dbraw/zinc/93/42/10/563934210.db2.gz ZQAYESOMJXWIAK-BXUZGUMPSA-N 1 0 317.410 3.887 50 0 DHAARO COc1cccc2cc([C@@H](C)[NH2+]C[C@](C)(O)c3ccco3)oc21 ZINC000095987951 563934260 /nfs/dbraw/zinc/93/42/60/563934260.db2.gz YJFMIKGXJIVNPK-XIKOKIGWSA-N 1 0 315.369 3.593 50 0 DHAARO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000095996211 563934367 /nfs/dbraw/zinc/93/43/67/563934367.db2.gz KAOMJMHNIJXKMG-OLZOCXBDSA-N 1 0 322.250 3.775 50 0 DHAARO CC(C)N(CC[NH+](C)C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000095997199 563934642 /nfs/dbraw/zinc/93/46/42/563934642.db2.gz RQEWHLPVMSWXPZ-UHFFFAOYSA-N 1 0 320.811 3.713 50 0 DHAARO CSc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000096026870 563935027 /nfs/dbraw/zinc/93/50/27/563935027.db2.gz BOOSMLAHHCEDBK-UHFFFAOYSA-N 1 0 312.482 3.773 50 0 DHAARO Cc1cccc(Nc2ccccc2C(=O)OCC[NH+](C)C)c1C ZINC000096026991 563935122 /nfs/dbraw/zinc/93/51/22/563935122.db2.gz IZIZMLZRJULVES-UHFFFAOYSA-N 1 0 312.413 3.765 50 0 DHAARO [NH3+]CCc1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2 ZINC000096027648 563935190 /nfs/dbraw/zinc/93/51/90/563935190.db2.gz AQKSDUPHJBNQIP-UHFFFAOYSA-N 1 0 317.388 3.860 50 0 DHAARO CC[C@H](C(=O)OCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC000096028097 563935262 /nfs/dbraw/zinc/93/52/62/563935262.db2.gz POVOIKOTBBNISZ-IBGZPJMESA-N 1 0 311.425 3.952 50 0 DHAARO C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cc1 ZINC000096481236 563937443 /nfs/dbraw/zinc/93/74/43/563937443.db2.gz QPFFACLBUYKOMA-HNNXBMFYSA-N 1 0 324.424 3.656 50 0 DHAARO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]c1=O ZINC000097201672 563937831 /nfs/dbraw/zinc/93/78/31/563937831.db2.gz HNYCDJKCINCFKC-LJQANCHMSA-N 1 0 319.408 3.569 50 0 DHAARO Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000670457154 563945198 /nfs/dbraw/zinc/94/51/98/563945198.db2.gz OJNXKSGRPZSLRV-OAHLLOKOSA-N 1 0 301.821 3.818 50 0 DHAARO C[NH+](C)C1(CNC(=O)c2ccc(C(C)(C)C)cc2)CCCCC1 ZINC000008673893 563949549 /nfs/dbraw/zinc/94/95/49/563949549.db2.gz MARZWZPSESQREA-UHFFFAOYSA-N 1 0 316.489 3.978 50 0 DHAARO Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613175 563949597 /nfs/dbraw/zinc/94/95/97/563949597.db2.gz MALGFTRNKLZGHH-LJQANCHMSA-N 1 0 314.473 3.866 50 0 DHAARO COc1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008700573 563949723 /nfs/dbraw/zinc/94/97/23/563949723.db2.gz VFIQTLIGTSXLML-UHFFFAOYSA-N 1 0 300.402 3.633 50 0 DHAARO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC2)c1 ZINC000069414193 563952773 /nfs/dbraw/zinc/95/27/73/563952773.db2.gz DVSYIVMVDSIGAJ-UHFFFAOYSA-N 1 0 308.425 3.555 50 0 DHAARO Cc1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000069632636 563953962 /nfs/dbraw/zinc/95/39/62/563953962.db2.gz SSBPNZKRKPGQGB-UHFFFAOYSA-N 1 0 323.440 3.753 50 0 DHAARO Cc1ccc(-c2nc(C[NH2+][C@H](C)[C@H](C)n3cccn3)cs2)o1 ZINC000069921825 563955316 /nfs/dbraw/zinc/95/53/16/563955316.db2.gz OGXNPVGQKCTXQJ-OLZOCXBDSA-N 1 0 316.430 3.647 50 0 DHAARO COc1cccc(C[NH2+][C@H]2CCc3c2cccc3F)c1OC ZINC000071837171 563958942 /nfs/dbraw/zinc/95/89/42/563958942.db2.gz PQXZVHATEBQLKN-INIZCTEOSA-N 1 0 301.361 3.620 50 0 DHAARO COc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000071831344 563958963 /nfs/dbraw/zinc/95/89/63/563958963.db2.gz AZXPKJXHOOBHTQ-HNNXBMFYSA-N 1 0 324.424 3.673 50 0 DHAARO CCc1nccn1[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000071870651 563959443 /nfs/dbraw/zinc/95/94/43/563959443.db2.gz IDBYREJWXVVASX-OAHLLOKOSA-N 1 0 323.396 3.669 50 0 DHAARO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cccc3cccnc32)C1 ZINC000411920384 563962016 /nfs/dbraw/zinc/96/20/16/563962016.db2.gz CELAEBXJLGSYET-RBUKOAKNSA-N 1 0 304.393 3.543 50 0 DHAARO COCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007539289 568412414 /nfs/dbraw/zinc/41/24/14/568412414.db2.gz SPFTWOPDOJSNPU-UHFFFAOYSA-N 1 0 300.185 3.989 50 0 DHAARO CCC1[N+](=O)[C@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C ZINC000000509506 568414513 /nfs/dbraw/zinc/41/45/13/568414513.db2.gz BPPPIUPSZKIVLX-LBPRGKRZSA-N 1 0 303.189 3.837 50 0 DHAARO Cc1ccc(C[NH2+][C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000089633230 568420306 /nfs/dbraw/zinc/42/03/06/568420306.db2.gz AOCYPHLCTCQHHF-MSOLQXFVSA-N 1 0 324.468 3.611 50 0 DHAARO CC(=O)N(CCCc1ccc(C(C)(C)C)cc1)CCC[NH+](C)C ZINC000002329031 1014108896 /nfs/dbraw/zinc/10/88/96/1014108896.db2.gz VRBRKGZQLMGDOZ-UHFFFAOYSA-N 1 0 318.505 3.717 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)c1cc[nH]c(=O)c1 ZINC000340450247 1014230424 /nfs/dbraw/zinc/23/04/24/1014230424.db2.gz PZJVACDAFWAVAI-WDEREUQCSA-N 1 0 308.328 3.800 50 0 DHAARO COc1cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1C ZINC000193787238 1014249276 /nfs/dbraw/zinc/24/92/76/1014249276.db2.gz ZGFWFXCSHIHYIS-UHFFFAOYSA-N 1 0 324.424 3.520 50 0 DHAARO O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000192664413 1032510530 /nfs/dbraw/zinc/51/05/30/1032510530.db2.gz NHICHJFLSUGJTN-GOSISDBHSA-N 1 0 324.424 3.569 50 0 DHAARO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(C(F)F)nc1 ZINC000850448154 1032517087 /nfs/dbraw/zinc/51/70/87/1032517087.db2.gz QLAVDRUIMQMSLP-XIKOKIGWSA-N 1 0 318.367 3.504 50 0 DHAARO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)cc(C)n1 ZINC000952969703 1032674478 /nfs/dbraw/zinc/67/44/78/1032674478.db2.gz CKOHUSXWBHFJPF-UHFFFAOYSA-N 1 0 323.440 3.937 50 0 DHAARO CCn1c(C)cc2cc(NC(=O)[C@@H]([NH3+])C3CCCCC3)ccc21 ZINC000952984018 1032681253 /nfs/dbraw/zinc/68/12/53/1032681253.db2.gz SPSNQSPUGSIBCJ-SFHVURJKSA-N 1 0 313.445 3.816 50 0 DHAARO Cc1ccsc1C[NH2+][C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000952981771 1032683244 /nfs/dbraw/zinc/68/32/44/1032683244.db2.gz IPDBCWKCKJDFDB-INIZCTEOSA-N 1 0 316.470 3.516 50 0 DHAARO CCCOc1c(Cl)cccc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000952983260 1032683334 /nfs/dbraw/zinc/68/33/34/1032683334.db2.gz PEPOIHPADVSMDR-UHFFFAOYSA-N 1 0 324.852 3.942 50 0 DHAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000011665202 1019014385 /nfs/dbraw/zinc/01/43/85/1019014385.db2.gz NJNNFUOOIKBBAI-MRXNPFEDSA-N 1 0 314.816 3.830 50 0 DHAARO Cc1c2cc(C[NH2+][C@@H](C)CO)ccc2[nH]c1-c1ccc(F)cc1 ZINC000012597226 1019027437 /nfs/dbraw/zinc/02/74/37/1019027437.db2.gz XHQLFDAHOWOVMM-LBPRGKRZSA-N 1 0 312.388 3.753 50 0 DHAARO C[C@@H](CO)[N@@H+](Cc1ccc(F)cc1C(F)(F)F)CC1CCC1 ZINC000252491781 1019304256 /nfs/dbraw/zinc/30/42/56/1019304256.db2.gz LSZHZWFFOYNHHW-NSHDSACASA-N 1 0 319.342 3.827 50 0 DHAARO Cc1ccc(OC[C@H]2CCC[N@H+](CC3CCOCC3)C2)cc1 ZINC000063834293 1019418451 /nfs/dbraw/zinc/41/84/51/1019418451.db2.gz AZSMSLINVZCKRH-SFHVURJKSA-N 1 0 303.446 3.512 50 0 DHAARO OC[C@@]1(CCCc2ccccc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000012297528 1019924280 /nfs/dbraw/zinc/92/42/80/1019924280.db2.gz CCIBJXNQIPMCQK-NRFANRHFSA-N 1 0 324.468 3.679 50 0 DHAARO CC(C)(C)C[N@@H+]1CC[C@H](C2CCN(Cc3nccs3)CC2)C1 ZINC000012459469 1019948523 /nfs/dbraw/zinc/94/85/23/1019948523.db2.gz YPLOIUQPISUWDV-INIZCTEOSA-N 1 0 321.534 3.723 50 0 DHAARO CCn1ccnc1CNCc1cccnc1Oc1ccccc1C ZINC000012305912 1020047276 /nfs/dbraw/zinc/04/72/76/1020047276.db2.gz HOVSLRZGAJNXSX-UHFFFAOYSA-N 1 0 322.412 3.689 50 0 DHAARO CC[N@H+](Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCOC(C)(C)C1 ZINC000356266415 1020282155 /nfs/dbraw/zinc/28/21/55/1020282155.db2.gz WNHORZIZOMAJCE-OAHLLOKOSA-N 1 0 305.466 3.554 50 0 DHAARO OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000023281783 1020481458 /nfs/dbraw/zinc/48/14/58/1020481458.db2.gz YETALOLVHXGFBT-IBGZPJMESA-N 1 0 311.425 3.612 50 0 DHAARO COCC1(C[NH2+]C2CCN(c3ccccc3Cl)CC2)CCC1 ZINC000824347265 1020560635 /nfs/dbraw/zinc/56/06/35/1020560635.db2.gz UZZWYHVUURTNBS-UHFFFAOYSA-N 1 0 322.880 3.715 50 0 DHAARO COc1ccc(C[N@H+](CC2CCC2)C[C@@H]2CCCO2)cc1F ZINC000824721360 1020580715 /nfs/dbraw/zinc/58/07/15/1020580715.db2.gz JMFICAKFUVMSHV-INIZCTEOSA-N 1 0 307.409 3.615 50 0 DHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cccn1C1CC1 ZINC000828184836 1020821782 /nfs/dbraw/zinc/82/17/82/1020821782.db2.gz JJBMBAQWAFSZDM-UHFFFAOYSA-N 1 0 309.413 3.671 50 0 DHAARO Cc1cnc(-c2ccncc2)n1[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000575550442 1020975316 /nfs/dbraw/zinc/97/53/16/1020975316.db2.gz WJQGPHPLCMDLHG-GOSISDBHSA-N 1 0 310.445 3.833 50 0 DHAARO COCCC[NH2+]CC[C@H](CCC(C)C)c1ccc2c(c1)OCO2 ZINC000002230045 1021429053 /nfs/dbraw/zinc/42/90/53/1021429053.db2.gz HUNJLBDDZDWCKK-INIZCTEOSA-N 1 0 321.461 3.951 50 0 DHAARO c1ccc([C@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000155073124 1021882114 /nfs/dbraw/zinc/88/21/14/1021882114.db2.gz RVZINNJNWRJPKM-IBGZPJMESA-N 1 0 322.452 3.513 50 0 DHAARO O=C(CCC1CCCC1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257194721 1022270442 /nfs/dbraw/zinc/27/04/42/1022270442.db2.gz UOLGYQJGPJXGQJ-SFHVURJKSA-N 1 0 306.494 3.681 50 0 DHAARO CCN(CC[NH+](CC)CC)Cc1c(C)oc2ccc(OC)cc21 ZINC000051331093 1022981754 /nfs/dbraw/zinc/98/17/54/1022981754.db2.gz FNKHLSBLOYRQSB-UHFFFAOYSA-N 1 0 318.461 3.914 50 0 DHAARO Cc1noc2ncc(CNc3ccc(C[NH+]4CCCC4)cc3)cc12 ZINC000585137059 1022998961 /nfs/dbraw/zinc/99/89/61/1022998961.db2.gz GCKGVDYKQJGOIR-UHFFFAOYSA-N 1 0 322.412 3.739 50 0 DHAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000110688805 1023284461 /nfs/dbraw/zinc/28/44/61/1023284461.db2.gz YXAPHSUDXGTWLZ-QJNYJZHLSA-N 1 0 305.553 3.576 50 0 DHAARO CCOc1ccc(-c2nn(-c3ccccc3)cc2C[NH3+])cc1F ZINC001481528720 1024437206 /nfs/dbraw/zinc/43/72/06/1024437206.db2.gz KZKAWDNWTGUFAK-UHFFFAOYSA-N 1 0 311.360 3.536 50 0 DHAARO Cc1cc(C[NH+]2CCC(Oc3cccnc3)CC2)ccc1F ZINC000215888038 1024527265 /nfs/dbraw/zinc/52/72/65/1024527265.db2.gz VSFWRKXEFMPJEB-UHFFFAOYSA-N 1 0 300.377 3.573 50 0 DHAARO CC(C)[N@@H+]1CCCN(Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000216079453 1024529747 /nfs/dbraw/zinc/52/97/47/1024529747.db2.gz GYRAJBAVLASRKU-KRWDZBQOSA-N 1 0 322.518 3.906 50 0 DHAARO Cl/C(=C\c1ccccc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020599738 1024899596 /nfs/dbraw/zinc/89/95/96/1024899596.db2.gz HLNBXRYHKSWNID-MTMYEVCSSA-N 1 0 304.865 3.827 50 0 DHAARO Fc1ccccc1C1([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000182242033 1025636776 /nfs/dbraw/zinc/63/67/76/1025636776.db2.gz HTBAJNQLFFVBQD-UHFFFAOYSA-N 1 0 317.433 3.530 50 0 DHAARO COCc1ccc([C@H]2CCC[N@@H+]2CCOc2ccccc2F)o1 ZINC000131402352 1028544490 /nfs/dbraw/zinc/54/44/90/1028544490.db2.gz MAHCGYZEIQKNMJ-MRXNPFEDSA-N 1 0 319.376 3.781 50 0 DHAARO C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000044276935 1029378529 /nfs/dbraw/zinc/37/85/29/1029378529.db2.gz HHOBMFVTEPCMDN-LJQANCHMSA-N 1 0 323.440 3.947 50 0 DHAARO C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000044276936 1029379201 /nfs/dbraw/zinc/37/92/01/1029379201.db2.gz HHOBMFVTEPCMDN-IBGZPJMESA-N 1 0 323.440 3.947 50 0 DHAARO Cc1cnc(-c2ccccc2)n1CC1CC[NH+](CC2CC2)CC1 ZINC000575549955 1029880665 /nfs/dbraw/zinc/88/06/65/1029880665.db2.gz QOWRSHWTBSNAKM-UHFFFAOYSA-N 1 0 309.457 3.981 50 0 DHAARO Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000103469870 1033616312 /nfs/dbraw/zinc/61/63/12/1033616312.db2.gz OTTNJNYOLXALOF-UHFFFAOYSA-N 1 0 323.440 3.781 50 0 DHAARO FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000084504680 1035329062 /nfs/dbraw/zinc/32/90/62/1035329062.db2.gz YDCZYQXIIKZQCL-CYBMUJFWSA-N 1 0 309.335 3.808 50 0 DHAARO O=C(NCC[C@@H]1CCC[NH2+]C1)c1sc2ccccc2c1Cl ZINC000152631878 1037470999 /nfs/dbraw/zinc/47/09/99/1037470999.db2.gz ORDLIXAKSQEMFD-NSHDSACASA-N 1 0 322.861 3.674 50 0 DHAARO COc1ccc(C[NH2+]C/C(C)=C/c2ccccc2)cc1NC(C)=O ZINC000078979869 185139780 /nfs/dbraw/zinc/13/97/80/185139780.db2.gz RRBKGILPOMSSMA-RVDMUPIBSA-N 1 0 324.424 3.847 50 0 DHAARO COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(O)c2)cc1OC ZINC000079331134 185165308 /nfs/dbraw/zinc/16/53/08/185165308.db2.gz YDTIJYFBQPGYCR-ZDUSSCGKSA-N 1 0 301.386 3.569 50 0 DHAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000082171020 185174467 /nfs/dbraw/zinc/17/44/67/185174467.db2.gz NHSQTHODLXYZDF-ZDUSSCGKSA-N 1 0 307.800 3.592 50 0 DHAARO CSC1(C[NH2+][C@H](C)c2cc3ccccc3o2)CCOCC1 ZINC000090113116 185282596 /nfs/dbraw/zinc/28/25/96/185282596.db2.gz SSCYXXBXNPWKLU-CYBMUJFWSA-N 1 0 305.443 3.996 50 0 DHAARO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090542631 185302030 /nfs/dbraw/zinc/30/20/30/185302030.db2.gz RIOQBTIZPOKOCI-HDMKZQKVSA-N 1 0 321.486 3.709 50 0 DHAARO COc1ccc([C@H]2CC[N@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000092783591 185340991 /nfs/dbraw/zinc/34/09/91/185340991.db2.gz YXKUKKPJNCUFOV-KRWDZBQOSA-N 1 0 324.424 3.643 50 0 DHAARO CC(C)n1cc([C@@H](C)[NH2+]CCc2ccc(-n3cccn3)cc2)cn1 ZINC000095419899 185360007 /nfs/dbraw/zinc/36/00/07/185360007.db2.gz DZXMAMONHSTJDN-MRXNPFEDSA-N 1 0 323.444 3.543 50 0 DHAARO C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000095421072 185360594 /nfs/dbraw/zinc/36/05/94/185360594.db2.gz IRRGBWPQHMTZHE-SMDDNHRTSA-N 1 0 322.865 3.537 50 0 DHAARO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(SC(F)F)cc1 ZINC000095423581 185361154 /nfs/dbraw/zinc/36/11/54/185361154.db2.gz NMHVTMVTORETAE-YGRLFVJLSA-N 1 0 319.442 3.520 50 0 DHAARO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(SC(F)F)cc1 ZINC000095423579 185361221 /nfs/dbraw/zinc/36/12/21/185361221.db2.gz NMHVTMVTORETAE-QMTHXVAHSA-N 1 0 319.442 3.520 50 0 DHAARO COc1ccccc1CC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000095467797 185371976 /nfs/dbraw/zinc/37/19/76/185371976.db2.gz ZRBMISVZTWVGRG-UHFFFAOYSA-N 1 0 311.425 3.856 50 0 DHAARO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000095459375 185370769 /nfs/dbraw/zinc/37/07/69/185370769.db2.gz JQTVAIJKYXKXIO-NXEZZACHSA-N 1 0 303.233 3.956 50 0 DHAARO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000095463205 185371136 /nfs/dbraw/zinc/37/11/36/185371136.db2.gz ZDLUPHMYEUONRS-KRWDZBQOSA-N 1 0 310.441 3.554 50 0 DHAARO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000069043673 190794717 /nfs/dbraw/zinc/79/47/17/190794717.db2.gz YPBDWFIQMRYLIX-UHFFFAOYSA-N 1 0 324.468 3.600 50 0 DHAARO C[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)[C@@H](C)n1cccn1 ZINC000069442842 190802719 /nfs/dbraw/zinc/80/27/19/190802719.db2.gz ZLGVPEIKEWLYQU-VXGBXAGGSA-N 1 0 318.471 3.807 50 0 DHAARO Cc1cccc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000072143582 191049456 /nfs/dbraw/zinc/04/94/56/191049456.db2.gz SJKIUHQHURWTDB-MRXNPFEDSA-N 1 0 320.440 3.721 50 0 DHAARO Oc1ccc(CN2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000072161391 191061908 /nfs/dbraw/zinc/06/19/08/191061908.db2.gz JWVZAGLXWLXPAO-UHFFFAOYSA-N 1 0 324.468 3.533 50 0 DHAARO Fc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000072202848 191075710 /nfs/dbraw/zinc/07/57/10/191075710.db2.gz WKRJAQDKDZFLNS-UHFFFAOYSA-N 1 0 316.395 3.673 50 0 DHAARO CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000225602409 186281898 /nfs/dbraw/zinc/28/18/98/186281898.db2.gz KDSREIMCEKWOEM-VQTJNVASSA-N 1 0 322.452 3.629 50 0 DHAARO Cc1cccc(C[NH2+][C@@H]2CSC[C@H]2C)c1Br ZINC000253393521 186303677 /nfs/dbraw/zinc/30/36/77/186303677.db2.gz DYSKIDLOLXLQAJ-ZYHUDNBSSA-N 1 0 300.265 3.599 50 0 DHAARO CCn1ccnc1CN(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072410943 191154243 /nfs/dbraw/zinc/15/42/43/191154243.db2.gz QXVCALOTJDNDFN-UHFFFAOYSA-N 1 0 318.509 3.524 50 0 DHAARO Cc1ccc(-c2nccn2C[C@@H](c2ccco2)[NH+]2CCCC2)o1 ZINC000072427090 191162052 /nfs/dbraw/zinc/16/20/52/191162052.db2.gz VSZOBGNMGKXQRV-HNNXBMFYSA-N 1 0 311.385 3.882 50 0 DHAARO O[C@@]1(c2ccc(Cl)cc2)C[n+]2ccccc2N1c1ccccc1 ZINC000000390310 180775176 /nfs/dbraw/zinc/77/51/76/180775176.db2.gz HZBIPJFLGNEBSX-LJQANCHMSA-N 1 0 323.803 3.625 50 0 DHAARO Cc1cccc(-c2nc3ccccc3c(NCCC[NH+](C)C)n2)c1 ZINC000001775570 180895301 /nfs/dbraw/zinc/89/53/01/180895301.db2.gz UJJPRJBCIZJAAX-UHFFFAOYSA-N 1 0 320.440 3.969 50 0 DHAARO CCCC[C@H](C(=O)Nc1cccc2c1O[C@@H](C)C2)[NH+](CC)CC ZINC000004062146 181067827 /nfs/dbraw/zinc/06/78/27/181067827.db2.gz MIVCUTMQBVUNCD-WMLDXEAASA-N 1 0 318.461 3.849 50 0 biogenic DHAARO C[N@@H+]1C[C@H](C(=O)c2cccs2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000004489511 181114403 /nfs/dbraw/zinc/11/44/03/181114403.db2.gz DQDLEPZVHJFUCX-KGLIPLIRSA-N 1 0 305.830 3.930 50 0 DHAARO CCCCN(C)C(=O)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000004690959 181136973 /nfs/dbraw/zinc/13/69/73/181136973.db2.gz IWIMDZATQLJJPZ-QGZVFWFLSA-N 1 0 316.489 3.761 50 0 DHAARO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000004724776 181143063 /nfs/dbraw/zinc/14/30/63/181143063.db2.gz AVQXSVWNHJNMRC-UHFFFAOYSA-N 1 0 302.805 3.801 50 0 DHAARO COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c(OC)c1 ZINC000004985403 181184532 /nfs/dbraw/zinc/18/45/32/181184532.db2.gz DUVXSABPHHGJLR-UHFFFAOYSA-N 1 0 301.430 3.618 50 0 DHAARO C[C@@H](NC(=O)C[NH2+]C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005043846 181196287 /nfs/dbraw/zinc/19/62/87/181196287.db2.gz AMLFHDHDSKVWOZ-ZIUDEIKKSA-N 1 0 318.505 3.630 50 0 DHAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000005073469 181201048 /nfs/dbraw/zinc/20/10/48/181201048.db2.gz FXAIWIDYRBAWFK-YOEHRIQHSA-N 1 0 319.832 3.739 50 0 DHAARO Fc1cccc(Cl)c1CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005201286 181216293 /nfs/dbraw/zinc/21/62/93/181216293.db2.gz IPGRASLNPAJUSV-NSHDSACASA-N 1 0 313.785 3.579 50 0 DHAARO C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)[NH2+]Cc1cccnc1 ZINC000005249603 181221634 /nfs/dbraw/zinc/22/16/34/181221634.db2.gz YOGMQUBAEAYSMA-RKVPGOIHSA-N 1 0 300.446 3.757 50 0 DHAARO CCCc1ccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000005258743 181222712 /nfs/dbraw/zinc/22/27/12/181222712.db2.gz ZSUACPZCTXTOEL-SOLBZPMBSA-N 1 0 305.462 3.642 50 0 DHAARO CC(C)(C)[NH2+]CCOCCOc1cccc(Cl)c1Cl ZINC000005632421 181265936 /nfs/dbraw/zinc/26/59/36/181265936.db2.gz DEKDSAQKTGKOTH-UHFFFAOYSA-N 1 0 306.233 3.777 50 0 DHAARO Cc1ccc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)s1 ZINC000089656609 192836250 /nfs/dbraw/zinc/83/62/50/192836250.db2.gz AOLRDWKWSAVKAZ-UHFFFAOYSA-N 1 0 317.458 3.559 50 0 DHAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000191096353 200627554 /nfs/dbraw/zinc/62/75/54/200627554.db2.gz QJYXBDCTBAXQDV-FUHWJXTLSA-N 1 0 306.494 3.606 50 0 DHAARO O=c1cc(C[NH2+]CCCC[C@H]2CCCO2)[nH]c2c(F)cccc12 ZINC000092038310 193146017 /nfs/dbraw/zinc/14/60/17/193146017.db2.gz DKGXZQUCCHFKEC-AWEZNQCLSA-N 1 0 318.392 3.518 50 0 DHAARO Cc1cc(C[N@H+](C)C[C@@H]2CCOC2)ccc1Oc1cccnc1 ZINC000093840098 193316848 /nfs/dbraw/zinc/31/68/48/193316848.db2.gz ACOMAIMLZGBBCJ-KRWDZBQOSA-N 1 0 312.413 3.651 50 0 DHAARO CC(C)C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)n1cccc1 ZINC000263587928 203486249 /nfs/dbraw/zinc/48/62/49/203486249.db2.gz MXKHQRHVIJGLAC-MRXNPFEDSA-N 1 0 319.493 3.501 50 0 DHAARO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(OC(C)(C)C)cc1 ZINC000095943438 193453263 /nfs/dbraw/zinc/45/32/63/193453263.db2.gz UBUBPGGORUGKQN-OAHLLOKOSA-N 1 0 301.434 3.801 50 0 DHAARO C[C@H](c1ccc(-c2cnc3n[nH]nc3c2)cc1)[NH+]1CCCCC1 ZINC000096141277 193551355 /nfs/dbraw/zinc/55/13/55/193551355.db2.gz YTBBMGKJZXIGGW-CYBMUJFWSA-N 1 0 307.401 3.567 50 0 DHAARO CC(C)[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 ZINC000015550253 182005864 /nfs/dbraw/zinc/00/58/64/182005864.db2.gz DWWAMDAYFHIACP-UXHICEINSA-N 1 0 322.452 3.993 50 0 DHAARO COc1cccc(OC)c1OCCCC[NH+]1CCC(C)CC1 ZINC000015768215 182015069 /nfs/dbraw/zinc/01/50/69/182015069.db2.gz WYZJNXCBXPIBAK-UHFFFAOYSA-N 1 0 307.434 3.595 50 0 DHAARO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000016779371 182060526 /nfs/dbraw/zinc/06/05/26/182060526.db2.gz VJEUEFGJNQDZJV-SFHVURJKSA-N 1 0 305.462 3.616 50 0 DHAARO Cc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000019359858 182118600 /nfs/dbraw/zinc/11/86/00/182118600.db2.gz WUHIJFJIWDAJOE-UHFFFAOYSA-N 1 0 308.469 3.745 50 0 DHAARO CC[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019500000 182125836 /nfs/dbraw/zinc/12/58/36/182125836.db2.gz SEZBPXGYGXVRJL-INIZCTEOSA-N 1 0 322.452 3.773 50 0 DHAARO CCc1ccc(C[NH+]2CCN(Cc3ccc(OC)cc3)CC2)cc1 ZINC000019842129 182156116 /nfs/dbraw/zinc/15/61/16/182156116.db2.gz YKGXLBNZDPNCDB-UHFFFAOYSA-N 1 0 324.468 3.575 50 0 DHAARO c1ccc(CCCN2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019789961 182149226 /nfs/dbraw/zinc/14/92/26/182149226.db2.gz TXGRUVNEPSBWLE-UHFFFAOYSA-N 1 0 300.490 3.960 50 0 DHAARO Clc1cc(Cl)cc([C@@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000019850785 182157186 /nfs/dbraw/zinc/15/71/86/182157186.db2.gz NKUCMZXLDJSIKD-QGZVFWFLSA-N 1 0 321.251 3.988 50 0 DHAARO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000020102774 182187186 /nfs/dbraw/zinc/18/71/86/182187186.db2.gz BPJBBXUQEYKSHV-UHFFFAOYSA-N 1 0 320.864 3.565 50 0 DHAARO CC[C@@H](C)c1ccccc1OCCCN1CC[NH+](CC)CC1 ZINC000020390441 182213440 /nfs/dbraw/zinc/21/34/40/182213440.db2.gz WGLDNGJKCLVIFW-QGZVFWFLSA-N 1 0 304.478 3.607 50 0 DHAARO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)c1 ZINC000021720562 182285781 /nfs/dbraw/zinc/28/57/81/182285781.db2.gz VXGPVJOGZGGTRP-INIZCTEOSA-N 1 0 316.401 3.646 50 0 DHAARO c1[nH]c2ccccc2c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000022777630 182334247 /nfs/dbraw/zinc/33/42/47/182334247.db2.gz QPMHVFROEIFKCB-GOSISDBHSA-N 1 0 305.425 3.532 50 0 DHAARO c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000024082011 182374962 /nfs/dbraw/zinc/37/49/62/182374962.db2.gz XFBKZLAPGFZMJH-LJQANCHMSA-N 1 0 319.408 3.545 50 0 DHAARO CC(C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027662149 182486886 /nfs/dbraw/zinc/48/68/86/182486886.db2.gz ZVEFNYPLAVTPDN-MRXNPFEDSA-N 1 0 308.853 3.639 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000040007702 183027205 /nfs/dbraw/zinc/02/72/05/183027205.db2.gz LMFVHFTYVVTBIC-SJLPKXTDSA-N 1 0 300.446 3.542 50 0 DHAARO CC(C)c1ccc([C@@H]2[NH2+]CC[C@@]23c2ccccc2NC3=O)cc1 ZINC000040309977 183053551 /nfs/dbraw/zinc/05/35/51/183053551.db2.gz DWFMRWCKZQXXCA-AZUAARDMSA-N 1 0 306.409 3.735 50 0 biogenic DHAARO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000042959977 183323685 /nfs/dbraw/zinc/32/36/85/183323685.db2.gz DFZUBZOXCPZJDB-KBPBESRZSA-N 1 0 324.350 3.682 50 0 DHAARO CC[C@H](C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770406 183307172 /nfs/dbraw/zinc/30/71/72/183307172.db2.gz VNQGNGYCEHFOAQ-RYUDHWBXSA-N 1 0 312.251 3.951 50 0 DHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1 ZINC000048333588 183646106 /nfs/dbraw/zinc/64/61/06/183646106.db2.gz XEXRANFHEIQQDO-HZPDHXFCSA-N 1 0 322.518 3.794 50 0 DHAARO CCCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048885358 183694182 /nfs/dbraw/zinc/69/41/82/183694182.db2.gz JZSZMMFGRKCTBS-HOTGVXAUSA-N 1 0 302.462 3.581 50 0 DHAARO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000110704230 194352419 /nfs/dbraw/zinc/35/24/19/194352419.db2.gz RIOQBTIZPOKOCI-MPGHIAIKSA-N 1 0 321.486 3.709 50 0 DHAARO CCn1nc(C)c(C[N@H+](CCOC)Cc2sccc2C)c1C ZINC000055270368 183975462 /nfs/dbraw/zinc/97/54/62/183975462.db2.gz IULXUXYGMJFSDU-UHFFFAOYSA-N 1 0 321.490 3.538 50 0 DHAARO CC[C@H](C)[N@H+](Cc1cc2c(cc1OC)OCO2)C1CCCC1 ZINC000055242185 183973033 /nfs/dbraw/zinc/97/30/33/183973033.db2.gz KTKIVLVXXPRZJW-ZDUSSCGKSA-N 1 0 305.418 3.967 50 0 DHAARO CCCCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000056284266 184009201 /nfs/dbraw/zinc/00/92/01/184009201.db2.gz PPUVVGUZHJIPEC-OAHLLOKOSA-N 1 0 320.452 3.905 50 0 DHAARO O=C(CCC1CCCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000057288282 184031830 /nfs/dbraw/zinc/03/18/30/184031830.db2.gz RYMPBFXVBIFCEW-INIZCTEOSA-N 1 0 320.502 3.972 50 0 DHAARO CSc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C)C3)n2)cc1 ZINC000057427592 184038100 /nfs/dbraw/zinc/03/81/00/184038100.db2.gz GLKVFBUTRGJMTH-GFCCVEGCSA-N 1 0 303.431 3.690 50 0 DHAARO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cccc(Cl)c1 ZINC000058160400 184082331 /nfs/dbraw/zinc/08/23/31/184082331.db2.gz HRUSUBPJOCIKSP-UHFFFAOYSA-N 1 0 302.805 3.685 50 0 DHAARO O=C(NCC[NH+]1CCCCC1)c1cc2c(s1)CCCCCC2 ZINC000058355680 184107969 /nfs/dbraw/zinc/10/79/69/184107969.db2.gz SLEXCZVTIVJJHO-UHFFFAOYSA-N 1 0 320.502 3.623 50 0 DHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000058612991 184125264 /nfs/dbraw/zinc/12/52/64/184125264.db2.gz HKJNTLKUTJGAOE-INIZCTEOSA-N 1 0 316.445 3.702 50 0 DHAARO CC(C)C[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)N(C)C ZINC000058680533 184125918 /nfs/dbraw/zinc/12/59/18/184125918.db2.gz RCZPUBWLCFOCSS-AWEZNQCLSA-N 1 0 318.383 3.651 50 0 DHAARO c1ccc2c(c1)cccc2OCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065041084 184309334 /nfs/dbraw/zinc/30/93/34/184309334.db2.gz KFOKGENZFCUCPZ-IBGZPJMESA-N 1 0 324.468 3.779 50 0 DHAARO O=C(Nc1cccc(F)c1)c1cccc(C[N@H+]2CC=CCC2)c1 ZINC000065425892 184342846 /nfs/dbraw/zinc/34/28/46/184342846.db2.gz RUYDJLLTCBVKLK-UHFFFAOYSA-N 1 0 310.372 3.840 50 0 DHAARO c1nc2ccccc2n1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000065463523 184349377 /nfs/dbraw/zinc/34/93/77/184349377.db2.gz HNKJSTBBWIOJQC-UHFFFAOYSA-N 1 0 307.397 3.500 50 0 DHAARO CCCC[N@H+](C)Cc1ccc(C(=O)Nc2c(C)noc2C)cc1 ZINC000065507920 184356928 /nfs/dbraw/zinc/35/69/28/184356928.db2.gz LPKHDFUCTAQWLG-UHFFFAOYSA-N 1 0 315.417 3.776 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3CCC3)cc2)C1 ZINC000048310578 256535853 /nfs/dbraw/zinc/53/58/53/256535853.db2.gz QQEHWZNRRHTHJN-HZPDHXFCSA-N 1 0 314.473 3.581 50 0 DHAARO C[C@@H](NC(=O)CC1=CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454986 256590915 /nfs/dbraw/zinc/59/09/15/256590915.db2.gz VSXAAPCHPFVBBF-WBVHZDCISA-N 1 0 304.478 3.646 50 0 DHAARO CC(C)c1nc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cs1 ZINC000240894762 256602589 /nfs/dbraw/zinc/60/25/89/256602589.db2.gz IPPWJIGSPWLOAK-RBSFLKMASA-N 1 0 306.475 3.704 50 0 DHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000399064590 257234920 /nfs/dbraw/zinc/23/49/20/257234920.db2.gz PZKGNODEBBBYMR-GWCFXTLKSA-N 1 0 315.244 3.880 50 0 DHAARO CCSc1n[nH]c(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426552323 257247185 /nfs/dbraw/zinc/24/71/85/257247185.db2.gz KVEHDHHSFPLSLR-GFCCVEGCSA-N 1 0 302.447 3.741 50 0 DHAARO CCCc1ccc(-c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000426434839 257250336 /nfs/dbraw/zinc/25/03/36/257250336.db2.gz KZTPQFLOVLFDOU-FQEVSTJZSA-N 1 0 322.452 3.869 50 0 DHAARO CC(C)(CC1CCCCCC1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000408516283 257255317 /nfs/dbraw/zinc/25/53/17/257255317.db2.gz KOJBRLSLJUPUCD-MRXNPFEDSA-N 1 0 315.523 3.540 50 0 DHAARO OC(C[NH2+]Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000020219104 257268872 /nfs/dbraw/zinc/26/88/72/257268872.db2.gz ASJBAJQOLLOVIC-UHFFFAOYSA-N 1 0 321.395 3.851 50 0 DHAARO CC(C)Cc1ncc(C[NH2+]C[C@H]2COc3ccccc32)s1 ZINC000288664240 131335034 /nfs/dbraw/zinc/33/50/34/131335034.db2.gz VYUHDFCKTFUYEW-ZDUSSCGKSA-N 1 0 302.443 3.607 50 0 DHAARO c1ccc([C@@H]2O[n+]3ccccc3S[C@H]2c2ccccc2)cc1 ZINC000001264348 331465796 /nfs/dbraw/zinc/46/57/96/331465796.db2.gz RRRKGNGJOTYDIV-OALUTQOASA-N 1 0 306.410 3.991 50 0 DHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000015070750 332394699 /nfs/dbraw/zinc/39/46/99/332394699.db2.gz DHCBGSWHFHBXGZ-LJQANCHMSA-N 1 0 324.424 3.550 50 0 DHAARO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1nc(C)ccc1O ZINC000103343267 332968761 /nfs/dbraw/zinc/96/87/61/332968761.db2.gz FBABELBPRRMXRP-AWEZNQCLSA-N 1 0 300.402 3.800 50 0 DHAARO Cc1ccc2[nH]c(CCC[NH2+][C@@H]3CCCSC3)nc2c1C ZINC000534642190 334305988 /nfs/dbraw/zinc/30/59/88/334305988.db2.gz UZHCVECMBKXEKK-CQSZACIVSA-N 1 0 303.475 3.598 50 0 DHAARO CC[NH+](CC)CC1(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000534631064 334307475 /nfs/dbraw/zinc/30/74/75/334307475.db2.gz PTRJJCYKJTXMLC-UHFFFAOYSA-N 1 0 315.244 3.598 50 0 DHAARO COCC1(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)CCCC1 ZINC000534655516 334313667 /nfs/dbraw/zinc/31/36/67/334313667.db2.gz CMPVUNZMRIWMLT-UHFFFAOYSA-N 1 0 320.452 3.591 50 0 DHAARO CCc1nccn1C[C@@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000534658842 334314872 /nfs/dbraw/zinc/31/48/72/334314872.db2.gz UVOYORBBXIAMCV-CYBMUJFWSA-N 1 0 303.837 3.766 50 0 DHAARO Clc1ccc(-c2cc(C[NH2+][C@H]3CCCSC3)on2)cc1 ZINC000534672333 334320959 /nfs/dbraw/zinc/32/09/59/334320959.db2.gz RYSPUAHGONDASJ-ZDUSSCGKSA-N 1 0 308.834 3.980 50 0 DHAARO Fc1ccc(N2CCC([NH2+]CCCOC3CCCC3)CC2)cc1 ZINC000534673599 334321252 /nfs/dbraw/zinc/32/12/52/334321252.db2.gz JTBHHYLDQBUNNY-UHFFFAOYSA-N 1 0 320.452 3.733 50 0 DHAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000097375264 337382691 /nfs/dbraw/zinc/38/26/91/337382691.db2.gz KSEISRPOBILHPF-HNNXBMFYSA-N 1 0 320.396 3.857 50 0 DHAARO CCO[C@@H](C)c1nc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000119894474 337382907 /nfs/dbraw/zinc/38/29/07/337382907.db2.gz YPXWPPSSTROEPO-AAEUAGOBSA-N 1 0 312.479 3.676 50 0 DHAARO CSC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000130077627 337383154 /nfs/dbraw/zinc/38/31/54/337383154.db2.gz RBZPUAQPNVQIKY-NEPJUHHUSA-N 1 0 311.413 3.609 50 0 DHAARO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCC3CC3)nc1)CC2 ZINC000131350252 341079749 /nfs/dbraw/zinc/07/97/49/341079749.db2.gz MEIIKZWKCYODKH-SFHVURJKSA-N 1 0 312.388 3.787 50 0 DHAARO C[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000225517432 563758009 /nfs/dbraw/zinc/75/80/09/563758009.db2.gz CZHYIMYRGLRRBF-SECBINFHSA-N 1 0 300.185 3.724 50 0 DHAARO CC(C)SCC[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000572355216 563773661 /nfs/dbraw/zinc/77/36/61/563773661.db2.gz KVHIXUWLNQYITC-QAQDUYKDSA-N 1 0 323.502 3.639 50 0 DHAARO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc2c(c1)CCC2 ZINC000000176280 563227857 /nfs/dbraw/zinc/22/78/57/563227857.db2.gz XGGFCKFLFFWPJS-UHFFFAOYSA-N 1 0 320.436 3.562 50 0 DHAARO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)ccc1OC(F)F ZINC000246836393 563233594 /nfs/dbraw/zinc/23/35/94/563233594.db2.gz BYZNMDOTPVDFBT-GMXVVIOVSA-N 1 0 315.360 3.515 50 0 DHAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C)s1)CC2 ZINC000000277538 563235250 /nfs/dbraw/zinc/23/52/50/563235250.db2.gz BCUGTGMYTMRNGO-UHFFFAOYSA-N 1 0 303.427 3.632 50 0 DHAARO CC(C)(CO)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000000359842 563244173 /nfs/dbraw/zinc/24/41/73/563244173.db2.gz SPEODCKLJMQURM-UHFFFAOYSA-N 1 0 319.832 3.780 50 0 DHAARO CCOc1ccccc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000001227588 563280052 /nfs/dbraw/zinc/28/00/52/563280052.db2.gz PXEWTPOXFVZOFK-UHFFFAOYSA-N 1 0 310.441 3.716 50 0 DHAARO OC1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CCCSC2)CC1 ZINC000584902875 563297797 /nfs/dbraw/zinc/29/77/97/563297797.db2.gz ATHTYVWLJBFWPT-OAHLLOKOSA-N 1 0 311.878 3.519 50 0 DHAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000002514925 563305129 /nfs/dbraw/zinc/30/51/29/563305129.db2.gz UHWUPHUKWZEWES-UHFFFAOYSA-N 1 0 317.310 3.707 50 0 DHAARO C[C@H]1SCCN(Cc2nnc(-c3ccccc3Cl)o2)[C@H]1C ZINC000071911155 563333017 /nfs/dbraw/zinc/33/30/17/563333017.db2.gz PIMVHAPQPRLHEI-WDEREUQCSA-N 1 0 323.849 3.716 50 0 DHAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1 ZINC000007276904 563337888 /nfs/dbraw/zinc/33/78/88/563337888.db2.gz AUHOPPRNXFYVDO-AWEZNQCLSA-N 1 0 308.381 3.685 50 0 DHAARO O=C(NCCC[NH+]1CCCC1)c1cc2c(ccc3ccccc23)o1 ZINC000010450164 563357359 /nfs/dbraw/zinc/35/73/59/563357359.db2.gz QUUNQBKJPBSWHO-UHFFFAOYSA-N 1 0 322.408 3.802 50 0 DHAARO CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000010474500 563357435 /nfs/dbraw/zinc/35/74/35/563357435.db2.gz RKRFXVCBJPNMJU-NSHDSACASA-N 1 0 304.217 3.661 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)[nH]1 ZINC000011664855 563358810 /nfs/dbraw/zinc/35/88/10/563358810.db2.gz XYDAALYRHDJYIK-OAHLLOKOSA-N 1 0 319.399 3.841 50 0 DHAARO COC[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012055763 563360819 /nfs/dbraw/zinc/36/08/19/563360819.db2.gz PTAPIHVBXMADAE-ZDUSSCGKSA-N 1 0 306.431 3.570 50 0 DHAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012307814 563366580 /nfs/dbraw/zinc/36/65/80/563366580.db2.gz KQVYYZMSXUMVLP-HNNXBMFYSA-N 1 0 314.816 3.830 50 0 DHAARO C[C@@H]1C[C@H](C)CN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000013056198 563377104 /nfs/dbraw/zinc/37/71/04/563377104.db2.gz ZBHUGRFJYAQKHD-PHIMTYICSA-N 1 0 315.244 3.910 50 0 DHAARO O=C(C[NH+]1CCCCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000013061890 563377234 /nfs/dbraw/zinc/37/72/34/563377234.db2.gz FJTLCHODFVAQCF-UHFFFAOYSA-N 1 0 301.217 3.808 50 0 DHAARO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)C12CC3CC(CC(C3)C1)C2 ZINC000032769991 563392099 /nfs/dbraw/zinc/39/20/99/563392099.db2.gz FPXXLJCJOFPBPM-HDPALTEOSA-N 1 0 301.434 3.642 50 0 DHAARO Cc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000032779523 563393432 /nfs/dbraw/zinc/39/34/32/563393432.db2.gz MUNGABRXYJBQKZ-LJQANCHMSA-N 1 0 323.440 3.954 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2C)cc1 ZINC000014185814 563397876 /nfs/dbraw/zinc/39/78/76/563397876.db2.gz MAIDQLNQBZZMHA-UHFFFAOYSA-N 1 0 310.441 3.767 50 0 DHAARO C[NH+](C)Cc1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1 ZINC000032818106 563398326 /nfs/dbraw/zinc/39/83/26/563398326.db2.gz OYCJHTLJXPCARV-UHFFFAOYSA-N 1 0 318.367 3.598 50 0 DHAARO Brc1ccc2cc(O[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000014631793 563402225 /nfs/dbraw/zinc/40/22/25/563402225.db2.gz RKIQNLOKMFZPOF-HNNXBMFYSA-N 1 0 306.203 3.733 50 0 DHAARO O=C(c1ccc(Cl)cc1)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000014631931 563402317 /nfs/dbraw/zinc/40/23/17/563402317.db2.gz JHVKILBUWGVULU-UHFFFAOYSA-N 1 0 315.800 3.702 50 0 DHAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2CCCCC2)c(C)c1 ZINC000015308782 563408913 /nfs/dbraw/zinc/40/89/13/563408913.db2.gz MJUBEEPXICEILD-INIZCTEOSA-N 1 0 302.462 3.573 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000011006422 563425646 /nfs/dbraw/zinc/42/56/46/563425646.db2.gz MVWICWJFZAISDA-UHFFFAOYSA-N 1 0 311.429 3.834 50 0 DHAARO Cc1ccc([C@H](CNC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000027581750 563428608 /nfs/dbraw/zinc/42/86/08/563428608.db2.gz UVGKCTGQNQDXEZ-KRWDZBQOSA-N 1 0 312.413 3.545 50 0 DHAARO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029482812 563434814 /nfs/dbraw/zinc/43/48/14/563434814.db2.gz MZHKJKBRTVVPNC-MGPUTAFESA-N 1 0 320.436 3.584 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825169 563436063 /nfs/dbraw/zinc/43/60/63/563436063.db2.gz JSVOPBFKMDIVSQ-CQSZACIVSA-N 1 0 311.385 3.812 50 0 DHAARO CSc1ccc2c(C)cc(N[C@@H](C)c3nncn3C)nc2c1 ZINC000032513817 563442738 /nfs/dbraw/zinc/44/27/38/563442738.db2.gz SWIIAHZOGKSMAS-NSHDSACASA-N 1 0 313.430 3.567 50 0 DHAARO c1ccc(C2CCC([NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000000220693 563447080 /nfs/dbraw/zinc/44/70/80/563447080.db2.gz FSAWWDNTYVTGLO-UHFFFAOYSA-N 1 0 321.468 3.930 50 0 DHAARO Cc1cc(OCCCC[NH+]2CCN(C)CC2)cc(C(C)C)c1 ZINC000022034445 563448941 /nfs/dbraw/zinc/44/89/41/563448941.db2.gz DXXBBGPBAMXDGM-UHFFFAOYSA-N 1 0 304.478 3.525 50 0 DHAARO C[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)Oc1ccccn1 ZINC000035287330 563452583 /nfs/dbraw/zinc/45/25/83/563452583.db2.gz GDOPUQCTURWFRZ-LLVKDONJSA-N 1 0 311.212 3.946 50 0 DHAARO CCC(CC)[NH2+]C1CCN(c2ccc(-n3cccn3)cc2)CC1 ZINC000048356922 563466458 /nfs/dbraw/zinc/46/64/58/563466458.db2.gz MHPYGCCLQZYGSL-UHFFFAOYSA-N 1 0 312.461 3.619 50 0 DHAARO Cc1ccc(SCC[N@@H+](C)Cc2nc(C)ccc2O)cc1 ZINC000055270564 563474015 /nfs/dbraw/zinc/47/40/15/563474015.db2.gz HSNALMMLHSQWOX-UHFFFAOYSA-N 1 0 302.443 3.628 50 0 DHAARO COCC[N@H+](Cc1c2ccccc2nn1C)Cc1ccc(C)cc1 ZINC000055568910 563476287 /nfs/dbraw/zinc/47/62/87/563476287.db2.gz FWEQCYYVKVDWTI-UHFFFAOYSA-N 1 0 323.440 3.530 50 0 DHAARO COc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055543192 563476466 /nfs/dbraw/zinc/47/64/66/563476466.db2.gz FYUZBVFPOONDMH-UHFFFAOYSA-N 1 0 316.832 3.671 50 0 DHAARO CC(C)C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccccn1 ZINC000095422975 563477199 /nfs/dbraw/zinc/47/71/99/563477199.db2.gz PWHSZVALJYDNOB-RDJZCZTQSA-N 1 0 304.459 3.728 50 0 DHAARO c1ccc(COc2ccc3c(c2)OC2(C=C3)CC[NH2+]CC2)cc1 ZINC000036141433 563477800 /nfs/dbraw/zinc/47/78/00/563477800.db2.gz VUNMVDQDYCTZSU-UHFFFAOYSA-N 1 0 307.393 3.793 50 0 DHAARO CCn1cc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cn1 ZINC000096447566 563482940 /nfs/dbraw/zinc/48/29/40/563482940.db2.gz YWVHRZBLODWUDU-OAHLLOKOSA-N 1 0 306.413 3.816 50 0 DHAARO OCCCC[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000063834583 563484980 /nfs/dbraw/zinc/48/49/80/563484980.db2.gz LGNYQTZYAOVXGS-UHFFFAOYSA-N 1 0 324.468 3.685 50 0 DHAARO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)ccc2O1 ZINC000067541400 563487510 /nfs/dbraw/zinc/48/75/10/563487510.db2.gz CFYAHQCOCWWVFQ-OAHLLOKOSA-N 1 0 311.429 3.503 50 0 DHAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(CCF)C2 ZINC000067714071 563489572 /nfs/dbraw/zinc/48/95/72/563489572.db2.gz XZMWDAROLIGGBB-UHFFFAOYSA-N 1 0 321.779 3.877 50 0 DHAARO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCCF)CCO2 ZINC000067741683 563489825 /nfs/dbraw/zinc/48/98/25/563489825.db2.gz KFKNJMLWMONSHA-UHFFFAOYSA-N 1 0 315.388 3.922 50 0 DHAARO C[NH+](C)Cc1csc(-c2nccn2Cc2ccsc2)c1 ZINC000067739669 563489865 /nfs/dbraw/zinc/48/98/65/563489865.db2.gz ZBSKCKVNNLDYGR-UHFFFAOYSA-N 1 0 303.456 3.783 50 0 DHAARO Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000067742159 563490777 /nfs/dbraw/zinc/49/07/77/563490777.db2.gz WTULYTLDLHBBGN-KRWDZBQOSA-N 1 0 322.452 3.734 50 0 DHAARO c1cc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)n[nH]1 ZINC000067805642 563491139 /nfs/dbraw/zinc/49/11/39/563491139.db2.gz JQGOYZLPDGQVFP-OAHLLOKOSA-N 1 0 313.449 3.560 50 0 DHAARO Cc1cccc2cc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)c(=O)[nH]c12 ZINC000067871851 563492524 /nfs/dbraw/zinc/49/25/24/563492524.db2.gz OAZIFCCZBWXUEW-GOSISDBHSA-N 1 0 318.420 3.826 50 0 DHAARO C[C@@H](Nc1ncnc2c1CC[NH2+]C2)c1ccc(C(C)(C)C)cc1 ZINC000067955518 563494099 /nfs/dbraw/zinc/49/40/99/563494099.db2.gz KNSFPELHRGZROS-CYBMUJFWSA-N 1 0 310.445 3.593 50 0 DHAARO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000068590933 563494530 /nfs/dbraw/zinc/49/45/30/563494530.db2.gz NQRUYCVWCPVFIP-IRXDYDNUSA-N 1 0 318.461 3.512 50 0 DHAARO CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000068590929 563494982 /nfs/dbraw/zinc/49/49/82/563494982.db2.gz NQRUYCVWCPVFIP-SJORKVTESA-N 1 0 318.461 3.512 50 0 DHAARO CCn1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)c(C)n1 ZINC000071498211 563499894 /nfs/dbraw/zinc/49/98/94/563499894.db2.gz YGVGNRUUISRXPO-KRWDZBQOSA-N 1 0 313.445 3.659 50 0 DHAARO CC(C)[N@@H+]1CCC[C@@H](Cc2cccc(Br)n2)CC1 ZINC000072343841 563503538 /nfs/dbraw/zinc/50/35/38/563503538.db2.gz DIUMGBUTROKTHS-CYBMUJFWSA-N 1 0 311.267 3.897 50 0 DHAARO FC(F)(F)c1cccnc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000097034999 563504248 /nfs/dbraw/zinc/50/42/48/563504248.db2.gz PSEFAMJHVCYWPT-DZGCQCFKSA-N 1 0 324.350 3.570 50 0 DHAARO CCO[C@@H]1C[C@H]([NH2+]Cc2nc3ccccc3o2)C1(CC)CC ZINC000097164322 563507445 /nfs/dbraw/zinc/50/74/45/563507445.db2.gz LLMUKIKUYXFHMS-JKSUJKDBSA-N 1 0 302.418 3.901 50 0 DHAARO c1ccc(-c2noc(C3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000077287310 563508263 /nfs/dbraw/zinc/50/82/63/563508263.db2.gz FMLQTKLLZDPKCE-UHFFFAOYSA-N 1 0 306.369 3.516 50 0 DHAARO Cn1c(C[N@@H+]2CCCC[C@H]2CCn2ccnc2)cc2ccccc21 ZINC000077287421 563508291 /nfs/dbraw/zinc/50/82/91/563508291.db2.gz ROQJWZKNXGLUGI-SFHVURJKSA-N 1 0 322.456 3.820 50 0 DHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccoc2)cc1 ZINC000077320887 563509361 /nfs/dbraw/zinc/50/93/61/563509361.db2.gz PHTSPYXJOAASHJ-GOSISDBHSA-N 1 0 312.413 3.709 50 0 DHAARO CC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717955 563523197 /nfs/dbraw/zinc/52/31/97/563523197.db2.gz XOAGDZFITAGHIL-LBPRGKRZSA-N 1 0 312.413 3.683 50 0 DHAARO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062767 563524749 /nfs/dbraw/zinc/52/47/49/563524749.db2.gz IRSANPNATWIUEU-UHFFFAOYSA-N 1 0 308.425 3.846 50 0 DHAARO CC[NH+]1CCN(c2nnc(-c3cccs3)c3ccccc32)CC1 ZINC000000091839 563528333 /nfs/dbraw/zinc/52/83/33/563528333.db2.gz WTQRWSKXADDKIT-UHFFFAOYSA-N 1 0 324.453 3.500 50 0 DHAARO C[C@H](C1CCN(c2ncc(Cl)cc2F)CC1)[NH+]1CCCC1 ZINC000095368674 563529536 /nfs/dbraw/zinc/52/95/36/563529536.db2.gz FXDMAPNRHXXTLX-GFCCVEGCSA-N 1 0 311.832 3.575 50 0 DHAARO CCC[C@H]1CN(c2nc(-c3ccc(F)cc3)cs2)C[C@@H]1[NH3+] ZINC000095387619 563529900 /nfs/dbraw/zinc/52/99/00/563529900.db2.gz VFDMSXRQIQEPEG-JSGCOSHPSA-N 1 0 305.422 3.513 50 0 DHAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000097609956 563540064 /nfs/dbraw/zinc/54/00/64/563540064.db2.gz WYFBYLABXGWHLQ-LBPRGKRZSA-N 1 0 309.335 3.558 50 0 DHAARO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000097631888 563541179 /nfs/dbraw/zinc/54/11/79/563541179.db2.gz YWKJOBMRIXKOCV-SFHVURJKSA-N 1 0 309.413 3.521 50 0 DHAARO CCOc1cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1O ZINC000000211979 563578526 /nfs/dbraw/zinc/57/85/26/563578526.db2.gz LJSUVYWGJOWVJF-GOSISDBHSA-N 1 0 308.381 3.507 50 0 biogenic DHAARO CC(C)Oc1ccc(C[NH2+]CCOc2ccccn2)cc1Cl ZINC000113395277 563580979 /nfs/dbraw/zinc/58/09/79/563580979.db2.gz XBHNAZKNPKICIK-UHFFFAOYSA-N 1 0 320.820 3.691 50 0 DHAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)C(C)C)CC1 ZINC000000261037 563583045 /nfs/dbraw/zinc/58/30/45/563583045.db2.gz PONAHHHYDZYOQY-UHFFFAOYSA-N 1 0 319.518 3.750 50 0 DHAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cnc2ccsc2c1 ZINC000248767341 563589497 /nfs/dbraw/zinc/58/94/97/563589497.db2.gz XFXSVYPJXXPKMP-OUENDJJVSA-N 1 0 314.454 3.905 50 0 DHAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000248074387 563599913 /nfs/dbraw/zinc/59/99/13/563599913.db2.gz IBOBGBNMCGIYMT-OALUTQOASA-N 1 0 314.473 3.923 50 0 DHAARO COc1ccccc1-c1noc([C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000248876851 563609510 /nfs/dbraw/zinc/60/95/10/563609510.db2.gz CMZACAIKCXPTHJ-FRRDWIJNSA-N 1 0 301.390 3.679 50 0 DHAARO Cc1nc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000273521807 563626225 /nfs/dbraw/zinc/62/62/25/563626225.db2.gz QCSRRYQAHSRCJZ-IAGOWNOFSA-N 1 0 320.433 3.943 50 0 DHAARO C[C@@H](NC(=O)CC1=CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454950 563644956 /nfs/dbraw/zinc/64/49/56/563644956.db2.gz VSXAAPCHPFVBBF-NVXWUHKLSA-N 1 0 304.478 3.646 50 0 DHAARO CCc1ccc([C@@H](C)NCC2=CSC3=NCCCN23)cc1 ZINC000101083840 563649867 /nfs/dbraw/zinc/64/98/67/563649867.db2.gz NVNKEWRFKHGBQM-CYBMUJFWSA-N 1 0 301.459 3.550 50 0 DHAARO Cc1noc(CCC[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000107148411 563682704 /nfs/dbraw/zinc/68/27/04/563682704.db2.gz WHNBNJYPCKYWTM-WBMJQRKESA-N 1 0 315.417 3.692 50 0 DHAARO CCC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000048302082 563695719 /nfs/dbraw/zinc/69/57/19/563695719.db2.gz MPAVCBJCRCPKQR-SFHVURJKSA-N 1 0 302.462 3.559 50 0 DHAARO CCCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048885356 563700175 /nfs/dbraw/zinc/70/01/75/563700175.db2.gz JZSZMMFGRKCTBS-IYBDPMFKSA-N 1 0 302.462 3.581 50 0 DHAARO C[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccc2ccccc2c1 ZINC000049581181 563702361 /nfs/dbraw/zinc/70/23/61/563702361.db2.gz WZIIWJXIRRIQAP-HNNXBMFYSA-N 1 0 322.408 3.742 50 0 DHAARO Clc1ccc(CN(Cc2ccccn2)C[C@@H]2CCCO2)o1 ZINC000216336248 563709053 /nfs/dbraw/zinc/70/90/53/563709053.db2.gz VVWNXSBMDVGITP-AWEZNQCLSA-N 1 0 306.793 3.509 50 0 DHAARO Clc1c2ccccc2[nH]c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000216320226 563709232 /nfs/dbraw/zinc/70/92/32/563709232.db2.gz JDEKZPYPARHNGQ-CQSZACIVSA-N 1 0 317.864 3.882 50 0 DHAARO CCc1nn(C)c(Cl)c1CN1CC[C@H]1c1cccc(OC)c1 ZINC000216451360 563709891 /nfs/dbraw/zinc/70/98/91/563709891.db2.gz CQBXNULUQHYHRS-INIZCTEOSA-N 1 0 319.836 3.592 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+]C2CCCCC2)c2ccc(F)cc12 ZINC000012422001 563774195 /nfs/dbraw/zinc/77/41/95/563774195.db2.gz BQCBTBXBCAOYKN-QGZVFWFLSA-N 1 0 318.436 3.680 50 0 DHAARO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1F ZINC000240465974 563776623 /nfs/dbraw/zinc/77/66/23/563776623.db2.gz GBVDIVXMYJJNND-HUUCEWRRSA-N 1 0 319.376 3.515 50 0 DHAARO FCCn1ncnc1C[N@@H+]1CCCCC[C@@H]1C1CCCCC1 ZINC000241446968 563777150 /nfs/dbraw/zinc/77/71/50/563777150.db2.gz NQARMOUXXHETAR-MRXNPFEDSA-N 1 0 308.445 3.573 50 0 DHAARO OCCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000247794473 563782169 /nfs/dbraw/zinc/78/21/69/563782169.db2.gz QDWWKPRWATZSHU-UHFFFAOYSA-N 1 0 308.425 3.552 50 0 DHAARO CC(C)n1nc(C[NH2+]CCc2ccccc2)c(-c2ccccc2)n1 ZINC000248036211 563782545 /nfs/dbraw/zinc/78/25/45/563782545.db2.gz ZBQASHOKCHQDSA-UHFFFAOYSA-N 1 0 320.440 3.858 50 0 DHAARO Cc1ccc(Cn2cc(C[NH2+]C(C)(C)CO)c3ccccc32)cc1 ZINC000248131692 563782718 /nfs/dbraw/zinc/78/27/18/563782718.db2.gz YTBGTQPHLNNJGZ-UHFFFAOYSA-N 1 0 322.452 3.859 50 0 DHAARO Cc1ccccc1Cn1nc(C[NH2+]C(C)C)c(-c2ccccc2)n1 ZINC000248164296 563782904 /nfs/dbraw/zinc/78/29/04/563782904.db2.gz QOVRKIJLDVFOED-UHFFFAOYSA-N 1 0 320.440 3.800 50 0 DHAARO CC(C)(CO)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248150650 563783059 /nfs/dbraw/zinc/78/30/59/563783059.db2.gz GZHXUYXUXZYPAE-UHFFFAOYSA-N 1 0 308.425 3.550 50 0 DHAARO C[C@@H](CC[NH+](C)C)OC(=O)c1ccc([C@@H](C)c2ccccc2)o1 ZINC000001817503 563795978 /nfs/dbraw/zinc/79/59/78/563795978.db2.gz UQKRKNYMJLVFPM-GJZGRUSLSA-N 1 0 315.413 3.928 50 0 DHAARO CC(=O)N1CCC(C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000183799352 563796299 /nfs/dbraw/zinc/79/62/99/563796299.db2.gz OWZCJIHCLMUFLG-UHFFFAOYSA-N 1 0 320.436 3.605 50 0 DHAARO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)C1 ZINC000299757277 563804993 /nfs/dbraw/zinc/80/49/93/563804993.db2.gz JYODFAQINOKMBF-MRXNPFEDSA-N 1 0 301.434 3.689 50 0 DHAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCCCCC1 ZINC000299781527 563805890 /nfs/dbraw/zinc/80/58/90/563805890.db2.gz WFGILSDTAQEYHR-OTWHNJEPSA-N 1 0 312.457 3.615 50 0 DHAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+][C@@H](C)CO)cc2c1 ZINC000299793429 563806250 /nfs/dbraw/zinc/80/62/50/563806250.db2.gz GOBSUDILFXIAQX-AWEZNQCLSA-N 1 0 324.399 3.820 50 0 DHAARO Cc1ccccc1[C@@](O)(Cc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000001259761 563810109 /nfs/dbraw/zinc/81/01/09/563810109.db2.gz FPDWKSDUHWWBCL-VXKWHMMOSA-N 1 0 321.464 3.767 50 0 DHAARO CN(C)c1cccc(C[N@H+](C)Cc2cccc3cccnc32)c1 ZINC000083855368 563813899 /nfs/dbraw/zinc/81/38/99/563813899.db2.gz DFPPRQNKNVZAAX-UHFFFAOYSA-N 1 0 305.425 3.933 50 0 DHAARO Cc1ccc(N2C(=O)[C@H](C[NH+]3CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000001394080 563817481 /nfs/dbraw/zinc/81/74/81/563817481.db2.gz WZTQWILGFCKYHD-UXHICEINSA-N 1 0 320.436 3.795 50 0 DHAARO Cc1ccc(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000084183003 563824712 /nfs/dbraw/zinc/82/47/12/563824712.db2.gz SHFNSQHTHHWPEC-BBRMVZONSA-N 1 0 321.852 3.596 50 0 DHAARO CC(C)[C@@H]1CCC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000084456581 563827032 /nfs/dbraw/zinc/82/70/32/563827032.db2.gz PHRZVRYZLVGKQK-ZDUSSCGKSA-N 1 0 311.385 3.702 50 0 DHAARO c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000084598427 563828227 /nfs/dbraw/zinc/82/82/27/563828227.db2.gz DEKYQXPVZGGDOO-HXUWFJFHSA-N 1 0 324.468 3.527 50 0 DHAARO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](CC2CCCCC2)C2CC2)C1 ZINC000084686223 563829704 /nfs/dbraw/zinc/82/97/04/563829704.db2.gz BQYGAOQMYHGSMX-HZPDHXFCSA-N 1 0 306.494 3.536 50 0 DHAARO Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000012817673 563837308 /nfs/dbraw/zinc/83/73/08/563837308.db2.gz HRSVFPLNFRQJRT-SFHVURJKSA-N 1 0 312.388 3.910 50 0 DHAARO COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000012929951 563855045 /nfs/dbraw/zinc/85/50/45/563855045.db2.gz FYXNGRGXBSGQLA-LJQANCHMSA-N 1 0 324.424 3.779 50 0 DHAARO Cc1ccccc1C[NH+]1CC(c2nc(Cc3ccccc3)no2)C1 ZINC000075156419 563861309 /nfs/dbraw/zinc/86/13/09/563861309.db2.gz MLAALAJKRSRABT-UHFFFAOYSA-N 1 0 319.408 3.568 50 0 DHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000053720504 563866199 /nfs/dbraw/zinc/86/61/99/563866199.db2.gz FNKBFXZVBDRAJY-HNNXBMFYSA-N 1 0 309.413 3.708 50 0 DHAARO CC[C@@H]1CCC[N@H+](C[C@@H]2CO[C@@H](c3ccc(Cl)cc3)O2)C1 ZINC000222028344 563869389 /nfs/dbraw/zinc/86/93/89/563869389.db2.gz FDFYOMATIOQVAJ-KBRIMQKVSA-N 1 0 309.837 3.876 50 0 DHAARO Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2cccnc2)C(C)C)o1 ZINC000092147040 563881970 /nfs/dbraw/zinc/88/19/70/563881970.db2.gz MRKRYGOWXIBOEM-UHFFFAOYSA-N 1 0 310.401 3.784 50 0 DHAARO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1C ZINC000036096971 563892684 /nfs/dbraw/zinc/89/26/84/563892684.db2.gz JJQFKWWSEQYINP-IBGZPJMESA-N 1 0 313.441 3.647 50 0 DHAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000036096734 563892782 /nfs/dbraw/zinc/89/27/82/563892782.db2.gz WUOFUIZVVYUARX-IBGZPJMESA-N 1 0 313.441 3.585 50 0 DHAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036095388 563892857 /nfs/dbraw/zinc/89/28/57/563892857.db2.gz ZXVBAOGCDGXMOP-FQEVSTJZSA-N 1 0 315.432 3.887 50 0 DHAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@@H](O)COCC(C)C ZINC000036096670 563893343 /nfs/dbraw/zinc/89/33/43/563893343.db2.gz JKGFKNBGVKDGTL-MRXNPFEDSA-N 1 0 313.507 3.630 50 0 DHAARO c1sc(-c2ncccn2)nc1C[N@H+](C1CC1)C1CCCC1 ZINC000064809399 563894385 /nfs/dbraw/zinc/89/43/85/563894385.db2.gz YOFVLSHPNOYESV-UHFFFAOYSA-N 1 0 300.431 3.507 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000169678556 563894641 /nfs/dbraw/zinc/89/46/41/563894641.db2.gz QVFNTCUEMSBHSV-PKOBYXMFSA-N 1 0 307.478 3.629 50 0 DHAARO Cc1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c(C)c1 ZINC000154709902 563894813 /nfs/dbraw/zinc/89/48/13/563894813.db2.gz YNZWBHUBAITRLX-RXVVDRJESA-N 1 0 301.455 3.513 50 0 DHAARO O=C(Nc1ccc(Cl)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877268 563897954 /nfs/dbraw/zinc/89/79/54/563897954.db2.gz CEHLGHCCZTTYKY-UHFFFAOYSA-N 1 0 321.852 3.680 50 0 DHAARO C[C@@H](CN1CCCC1=O)[NH2+]Cc1sc2ccccc2c1Cl ZINC000037997675 563898795 /nfs/dbraw/zinc/89/87/95/563898795.db2.gz DVYBBRXKJVFAEZ-NSHDSACASA-N 1 0 322.861 3.655 50 0 DHAARO C[C@H](CN1CCCC1=O)[NH2+]Cc1sc2ccccc2c1Cl ZINC000037997676 563898816 /nfs/dbraw/zinc/89/88/16/563898816.db2.gz DVYBBRXKJVFAEZ-LLVKDONJSA-N 1 0 322.861 3.655 50 0 DHAARO COc1ccccc1C[NH2+]CCc1c(C)[nH]c2ccc(F)cc21 ZINC000036657747 563902415 /nfs/dbraw/zinc/90/24/15/563902415.db2.gz OQXYKZSAIUWVFM-UHFFFAOYSA-N 1 0 312.388 3.956 50 0 DHAARO Cc1n[nH]c(C)c1C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000170593493 563907112 /nfs/dbraw/zinc/90/71/12/563907112.db2.gz NMMATDKDIJMNCJ-UHFFFAOYSA-N 1 0 306.413 3.797 50 0 DHAARO CC[NH+](CC)CCCSc1nnc(Cc2cccs2)o1 ZINC000170605602 563907659 /nfs/dbraw/zinc/90/76/59/563907659.db2.gz AOXIKASJKXOLLJ-UHFFFAOYSA-N 1 0 311.476 3.546 50 0 DHAARO Cc1c[nH+]ccc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000170613125 563908108 /nfs/dbraw/zinc/90/81/08/563908108.db2.gz QYGPUZUDGLUWFG-CABCVRRESA-N 1 0 319.449 3.520 50 0 DHAARO Cc1cc(C[NH2+]CC2(O)CCCCC2)cc(C)c1OC(F)F ZINC000170618714 563908495 /nfs/dbraw/zinc/90/84/95/563908495.db2.gz CWCWGXIVIWMIEA-UHFFFAOYSA-N 1 0 313.388 3.690 50 0 DHAARO CC[NH+](CC)CCSCC(=O)Nc1cccc(Cl)c1C ZINC000076059106 563912128 /nfs/dbraw/zinc/91/21/28/563912128.db2.gz IPDICJMTBBZNGP-UHFFFAOYSA-N 1 0 314.882 3.662 50 0 DHAARO C[C@H]1CC[N@H+](CCSc2ccccc2)C[C@@H]1n1ccnc1 ZINC000089930000 563912333 /nfs/dbraw/zinc/91/23/33/563912333.db2.gz NRJWNEASDKXHSH-RDJZCZTQSA-N 1 0 301.459 3.558 50 0 DHAARO CC1=C(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CCC1 ZINC000089919749 563912443 /nfs/dbraw/zinc/91/24/43/563912443.db2.gz IDLINHCIRHTNFT-UHFFFAOYSA-N 1 0 322.836 3.719 50 0 DHAARO c1ccc(C[C@H]2CCC[N@@H+]2Cc2noc(-c3ccccc3)n2)cc1 ZINC000055505314 563916846 /nfs/dbraw/zinc/91/68/46/563916846.db2.gz WKRVFIQOHUMCLF-GOSISDBHSA-N 1 0 319.408 3.944 50 0 DHAARO CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000037619324 563919341 /nfs/dbraw/zinc/91/93/41/563919341.db2.gz OSLLVFGCOKJNNK-ZANVPECISA-N 1 0 303.233 3.688 50 0 DHAARO C[NH2+][C@H](C)C1=CCC=C1P(c1ccccc1)c1ccccc1 ZINC000100031909 563924184 /nfs/dbraw/zinc/92/41/84/563924184.db2.gz YPXPTKZMJVKKLO-MRXNPFEDSA-N 1 0 307.377 3.941 50 0 DHAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000010409914 563927921 /nfs/dbraw/zinc/92/79/21/563927921.db2.gz FVCYFPWLSBZVKQ-UHFFFAOYSA-N 1 0 323.440 3.735 50 0 DHAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000225444001 563928227 /nfs/dbraw/zinc/92/82/27/563928227.db2.gz SDJLWMHAPFDCMV-SJKOYZFVSA-N 1 0 318.367 3.574 50 0 DHAARO Cc1ccc(NC(=O)c2cccc3cc[nH]c32)c(C[NH+](C)C)c1 ZINC000080287623 563930995 /nfs/dbraw/zinc/93/09/95/563930995.db2.gz VIVCOCUQIKAHNR-UHFFFAOYSA-N 1 0 307.397 3.790 50 0 DHAARO Cc1nccn1CCCC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000095423164 563931564 /nfs/dbraw/zinc/93/15/64/563931564.db2.gz KQFMKISPPPKERI-ZDUSSCGKSA-N 1 0 314.458 3.932 50 0 DHAARO C[C@H]([NH2+]Cc1nnc2ccccn21)c1cccc2ccccc21 ZINC000095948604 563932182 /nfs/dbraw/zinc/93/21/82/563932182.db2.gz FGWBYKYMVSQFTL-AWEZNQCLSA-N 1 0 302.381 3.733 50 0 DHAARO C[C@@H](c1ccc(F)cc1F)N1CCc2c(ncn2C2CC2)C1 ZINC000095950596 563932235 /nfs/dbraw/zinc/93/22/35/563932235.db2.gz KPDKMMYXYLFOBO-NSHDSACASA-N 1 0 303.356 3.616 50 0 DHAARO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000095983580 563933866 /nfs/dbraw/zinc/93/38/66/563933866.db2.gz YFYKQIQQWSWSKV-XHSDSOJGSA-N 1 0 313.894 3.979 50 0 DHAARO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000095996210 563934513 /nfs/dbraw/zinc/93/45/13/563934513.db2.gz KAOMJMHNIJXKMG-STQMWFEESA-N 1 0 322.250 3.775 50 0 DHAARO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000096004794 563934611 /nfs/dbraw/zinc/93/46/11/563934611.db2.gz GQUZPZNUBPYAKL-CYBMUJFWSA-N 1 0 310.376 3.566 50 0 DHAARO C[N@H+](Cc1ccccc1)C1CCN(CC[C@@H]2CC2(F)F)CC1 ZINC000670437777 563943499 /nfs/dbraw/zinc/94/34/99/563943499.db2.gz JFQRCKAMIKPUCV-MRXNPFEDSA-N 1 0 308.416 3.628 50 0 DHAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000008315107 563947924 /nfs/dbraw/zinc/94/79/24/563947924.db2.gz SVZBRBQBMJLVMX-QKPAOTATSA-N 1 0 318.461 3.827 50 0 DHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000066874086 563948045 /nfs/dbraw/zinc/94/80/45/563948045.db2.gz UOGMQVAMDKBKGY-IBGZPJMESA-N 1 0 322.452 3.816 50 0 DHAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(OCC)cc2c1=O ZINC000008584352 563949182 /nfs/dbraw/zinc/94/91/82/563949182.db2.gz PRQBRKQUPBQXIS-UHFFFAOYSA-N 1 0 302.418 3.879 50 0 aggregator DHAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000008717523 563950128 /nfs/dbraw/zinc/95/01/28/563950128.db2.gz XCHYXSOBLQFCNN-CYBMUJFWSA-N 1 0 313.445 3.547 50 0 DHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(s1)CCCCCC2 ZINC000068711317 563951055 /nfs/dbraw/zinc/95/10/55/563951055.db2.gz UUWYEOJMPVQIMQ-HNNXBMFYSA-N 1 0 320.502 3.621 50 0 DHAARO COCc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000068320270 563951119 /nfs/dbraw/zinc/95/11/19/563951119.db2.gz MVLLYSFAGDMQCQ-LJQANCHMSA-N 1 0 324.424 3.609 50 0 DHAARO Cc1cnn(C[C@H](C)[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000069459488 563952986 /nfs/dbraw/zinc/95/29/86/563952986.db2.gz WUYFCPIQVQWDED-LBPRGKRZSA-N 1 0 318.471 3.555 50 0 DHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)CC(C)(C)C)CC1 ZINC000069459097 563953025 /nfs/dbraw/zinc/95/30/25/563953025.db2.gz OABJCYUOPNMJKP-UHFFFAOYSA-N 1 0 303.450 3.567 50 0 DHAARO Cc1cnc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000069460644 563953068 /nfs/dbraw/zinc/95/30/68/563953068.db2.gz AUBAUBLUCGSXQQ-UHFFFAOYSA-N 1 0 301.821 3.998 50 0 DHAARO COc1ccc(C[C@H](C)[NH2+][C@@H](C)Cc2ccccc2)cc1OC ZINC000320571084 563960284 /nfs/dbraw/zinc/96/02/84/563960284.db2.gz QHQBHDHZRNEONH-HOTGVXAUSA-N 1 0 313.441 3.856 50 0 DHAARO CSc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)cc1 ZINC000077404880 563960774 /nfs/dbraw/zinc/96/07/74/563960774.db2.gz FGLIFOVFUUGLFW-GOSISDBHSA-N 1 0 324.453 3.531 50 0 DHAARO COc1cc(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)ccc1SC ZINC000078553156 563961211 /nfs/dbraw/zinc/96/12/11/563961211.db2.gz IQFHBMQTXIVJHB-NSHDSACASA-N 1 0 319.474 3.618 50 0 DHAARO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000022023173 1013607104 /nfs/dbraw/zinc/60/71/04/1013607104.db2.gz ARVCRDQDIBPFMH-IBGZPJMESA-N 1 0 309.413 3.767 50 0 DHAARO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000078966628 1014241822 /nfs/dbraw/zinc/24/18/22/1014241822.db2.gz VTEJOMZVGODZSE-AWEZNQCLSA-N 1 0 310.441 3.934 50 0 DHAARO O=C(Nc1c(F)cccc1F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010371248 1014484590 /nfs/dbraw/zinc/48/45/90/1014484590.db2.gz DSIJPDOPQKNUIY-UHFFFAOYSA-N 1 0 316.351 3.813 50 0 DHAARO Clc1cccc(-c2cnc(C[N@@H+]3CC[C@]4(CCOC4)C3)o2)c1 ZINC000153838382 1014802382 /nfs/dbraw/zinc/80/23/82/1014802382.db2.gz SEUZLXAVHIJWPU-KRWDZBQOSA-N 1 0 318.804 3.607 50 0 DHAARO COc1ccccc1[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(CO)o1 ZINC000952845787 1032665455 /nfs/dbraw/zinc/66/54/55/1032665455.db2.gz SFZCPIANKOVMEF-KBXCAEBGSA-N 1 0 315.413 3.754 50 0 DHAARO CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2cncn2C)C1)C1CCCC1 ZINC000449263631 1019363022 /nfs/dbraw/zinc/36/30/22/1019363022.db2.gz LSTOUDHKDYIDFZ-RYRKJORJSA-N 1 0 305.466 3.589 50 0 DHAARO Cc1cc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)[nH]n1 ZINC000011935292 1019584000 /nfs/dbraw/zinc/58/40/00/1019584000.db2.gz JRGIEGGZGXBBRI-HNNXBMFYSA-N 1 0 301.409 3.702 50 0 DHAARO C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)CC1CC1 ZINC000121056725 1019609935 /nfs/dbraw/zinc/60/99/35/1019609935.db2.gz UGLJHUOGBLTSPT-UHFFFAOYSA-N 1 0 303.431 3.519 50 0 DHAARO CCN(Cc1nc(-c2ccccc2F)oc1C)C[C@H]1CCCO1 ZINC000012575636 1019965730 /nfs/dbraw/zinc/96/57/30/1019965730.db2.gz JZJUVJXYXJVUCG-CQSZACIVSA-N 1 0 318.392 3.790 50 0 DHAARO CC(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000186217850 1020017521 /nfs/dbraw/zinc/01/75/21/1020017521.db2.gz IMRJWXQCKPPGIN-OAHLLOKOSA-N 1 0 320.502 3.962 50 0 DHAARO Fc1ccccc1CCC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC000826626669 1020721757 /nfs/dbraw/zinc/72/17/57/1020721757.db2.gz HEAFDYQLJAOPGX-UHFFFAOYSA-N 1 0 316.420 3.606 50 0 DHAARO CC[C@@H](NCc1cccc2c1OC(F)(F)O2)c1c(C)noc1C ZINC000414368740 1021142057 /nfs/dbraw/zinc/14/20/57/1021142057.db2.gz SJPOJZUNVWPYAY-GFCCVEGCSA-N 1 0 324.327 3.854 50 0 DHAARO CCC[N@@H+](Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036096296 1021209185 /nfs/dbraw/zinc/20/91/85/1021209185.db2.gz ZJSMBWIYKLPNHJ-SFHVURJKSA-N 1 0 301.405 3.641 50 0 DHAARO Cc1cnccc1-c1cccc(-c2ccn(C[C@H]3CC[NH2+]C3)n2)c1 ZINC000020601142 1021806198 /nfs/dbraw/zinc/80/61/98/1021806198.db2.gz DTDGHBUBZGEUER-INIZCTEOSA-N 1 0 318.424 3.530 50 0 DHAARO Cc1c[nH+]c(C)n1C[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC000581808149 1021850465 /nfs/dbraw/zinc/85/04/65/1021850465.db2.gz QLGICOPKTQIVEQ-GOSISDBHSA-N 1 0 317.477 3.709 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)CC2CCCC2)CC1 ZINC000581808810 1021851872 /nfs/dbraw/zinc/85/18/72/1021851872.db2.gz OQFZVJUKINWFAP-UHFFFAOYSA-N 1 0 315.461 3.813 50 0 DHAARO Cc1cnc(-c2ccccc2)n1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000257178014 1022194908 /nfs/dbraw/zinc/19/49/08/1022194908.db2.gz BLDIUSXBQAYUKU-QGZVFWFLSA-N 1 0 311.429 3.678 50 0 DHAARO CC(C)c1nc([C@H]2CCC[N@@H+]([C@H](C)c3ccncc3)C2)no1 ZINC000106910885 1023393243 /nfs/dbraw/zinc/39/32/43/1023393243.db2.gz DODPYHNGMGGWHD-HIFRSBDPSA-N 1 0 300.406 3.529 50 0 DHAARO CC(C)CN1CC[N@@H+](C2CC(C)(C)CC(C)(C)C2)C[C@H]1CCO ZINC000104537989 1023622363 /nfs/dbraw/zinc/62/23/63/1023622363.db2.gz QPXVVAMOSZUEPM-QGZVFWFLSA-N 1 0 324.553 3.616 50 0 DHAARO Cc1cc(C)n(-c2cccc(C[NH+]3CCC(F)(F)CC3)c2)n1 ZINC000215027366 1024522096 /nfs/dbraw/zinc/52/20/96/1024522096.db2.gz IJFFCUKEOABNMW-UHFFFAOYSA-N 1 0 305.372 3.720 50 0 DHAARO C[N@H+](CCC1CC1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121784445 1024659019 /nfs/dbraw/zinc/65/90/19/1024659019.db2.gz YVPWAFVMLGVSNQ-UHFFFAOYSA-N 1 0 317.458 3.909 50 0 DHAARO [NH3+]CC[C@H]1CN(C(=O)c2cccc(C3CC3)c2)c2ccccc21 ZINC000888097765 1024701240 /nfs/dbraw/zinc/70/12/40/1024701240.db2.gz OIMAZAFVCJECQJ-KRWDZBQOSA-N 1 0 306.409 3.657 50 0 DHAARO Cc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000006721906 1025128493 /nfs/dbraw/zinc/12/84/93/1025128493.db2.gz CMQKORYZVNPMIX-QUCCMNQESA-N 1 0 320.436 3.752 50 0 DHAARO Cc1c2ccccc2oc1C[N@H+](CCCO)Cc1cccnc1 ZINC000243901505 1025642559 /nfs/dbraw/zinc/64/25/59/1025642559.db2.gz BCAKHSSRCGPOCI-UHFFFAOYSA-N 1 0 310.397 3.521 50 0 DHAARO Oc1cccnc1C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000585084372 1029643009 /nfs/dbraw/zinc/64/30/09/1029643009.db2.gz JGPVCNLCQWZCDV-ZDUSSCGKSA-N 1 0 322.330 3.796 50 0 DHAARO Cc1cc(F)ccc1-c1ccc(CN2CC[C@@H]([NH+](C)C)C2)o1 ZINC000585084573 1029663613 /nfs/dbraw/zinc/66/36/13/1029663613.db2.gz BBPOUVFZZBLGDP-OAHLLOKOSA-N 1 0 302.393 3.530 50 0 DHAARO Cc1ccccc1C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)C1CC1 ZINC000793527141 1035146334 /nfs/dbraw/zinc/14/63/34/1035146334.db2.gz UAPWJBUWUUGXNU-LJQANCHMSA-N 1 0 323.440 3.597 50 0 DHAARO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000170027419 1035286982 /nfs/dbraw/zinc/28/69/82/1035286982.db2.gz QBFAPZJYBWVMFE-DZVNEVJTSA-N 1 0 313.466 3.911 50 0 DHAARO COc1cccc(OC)c1OCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002270961 1037138357 /nfs/dbraw/zinc/13/83/57/1037138357.db2.gz WJCOGFUOFNSBMV-IYBDPMFKSA-N 1 0 321.461 3.841 50 0 DHAARO Clc1ccc(CNC2=[NH+]CCNC23CCCCCC3)cc1 ZINC000046153308 1039097593 /nfs/dbraw/zinc/09/75/93/1039097593.db2.gz NFCHMNMNISCJOH-UHFFFAOYSA-N 1 0 305.853 3.524 50 0 DHAARO O=C(CCC1CCCC1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000257194720 1041225886 /nfs/dbraw/zinc/22/58/86/1041225886.db2.gz UOLGYQJGPJXGQJ-GOSISDBHSA-N 1 0 306.494 3.681 50 0 DHAARO COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(O)c2)cc1OC ZINC000079331127 185165362 /nfs/dbraw/zinc/16/53/62/185165362.db2.gz YDTIJYFBQPGYCR-CYBMUJFWSA-N 1 0 301.386 3.569 50 0 DHAARO Fc1ccccc1N1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000096876680 185389983 /nfs/dbraw/zinc/38/99/83/185389983.db2.gz YRNMGIDBEGBXIO-UHFFFAOYSA-N 1 0 321.399 3.696 50 0 DHAARO CCCCSCc1cc(C(=O)N2CCCC[C@@H]([NH3+])C2)oc1C ZINC000082161411 185174067 /nfs/dbraw/zinc/17/40/67/185174067.db2.gz PBTKWLBBQVZMPX-OAHLLOKOSA-N 1 0 324.490 3.575 50 0 DHAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000089949165 185271196 /nfs/dbraw/zinc/27/11/96/185271196.db2.gz LCPWTHKQZJGCAU-RHSMWYFYSA-N 1 0 316.470 3.638 50 0 DHAARO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000090220866 185287026 /nfs/dbraw/zinc/28/70/26/185287026.db2.gz PUGUABGYFUOGDQ-QRWLVFNGSA-N 1 0 305.468 3.653 50 0 DHAARO CSCc1ccc(N2CCC([C@@H](C)[NH+]3CCCC3)CC2)nc1 ZINC000082098902 192355305 /nfs/dbraw/zinc/35/53/05/192355305.db2.gz PDUIGAOSZSKMSF-OAHLLOKOSA-N 1 0 319.518 3.645 50 0 DHAARO O[C@@H]1C[N@H+](Cc2cccc(-c3ccco3)c2)Cc2ccccc21 ZINC000082126517 192359804 /nfs/dbraw/zinc/35/98/04/192359804.db2.gz MGKBTBOQEORYDG-LJQANCHMSA-N 1 0 305.377 3.996 50 0 DHAARO CC1CCN(C(=O)Nc2ccc(SCC[NH+](C)C)cc2)CC1 ZINC000095396865 185353105 /nfs/dbraw/zinc/35/31/05/185353105.db2.gz NQNKYOHZRCDDSJ-UHFFFAOYSA-N 1 0 321.490 3.604 50 0 DHAARO COc1cc(OC)c([C@H](C)[NH2+]CCc2ccccn2)cc1Cl ZINC000095419164 185359838 /nfs/dbraw/zinc/35/98/38/185359838.db2.gz IOEGCWWQINLBEV-LBPRGKRZSA-N 1 0 320.820 3.646 50 0 DHAARO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000095419762 185360132 /nfs/dbraw/zinc/36/01/32/185360132.db2.gz FJHXGVKFBKPZKY-CQSZACIVSA-N 1 0 312.442 3.547 50 0 DHAARO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(SC(F)F)cc1 ZINC000095419736 185360284 /nfs/dbraw/zinc/36/02/84/185360284.db2.gz NJFKIUJRPMXIFZ-GXFFZTMASA-N 1 0 313.369 3.979 50 0 DHAARO C[C@@H]([NH2+]CCCCn1ccccc1=O)c1cc2ccccc2o1 ZINC000095421257 185360357 /nfs/dbraw/zinc/36/03/57/185360357.db2.gz GAROBWDZDMFLDD-OAHLLOKOSA-N 1 0 310.397 3.726 50 0 DHAARO CC[N@@H+](Cc1cccs1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000097002268 185396513 /nfs/dbraw/zinc/39/65/13/185396513.db2.gz IOTQGVQJSPYCDL-HNNXBMFYSA-N 1 0 316.426 3.595 50 0 DHAARO Cc1ncsc1C[NH2+][C@@H](C)Cc1nc2ccccc2s1 ZINC000095421968 185360744 /nfs/dbraw/zinc/36/07/44/185360744.db2.gz BBMYMHSUWPDQSA-JTQLQIEISA-N 1 0 303.456 3.782 50 0 DHAARO COCCNc1ccc(C[NH2+][C@@H](C)c2sccc2C)cc1 ZINC000095421904 185360886 /nfs/dbraw/zinc/36/08/86/185360886.db2.gz LIOIWZDEPSOJHE-AWEZNQCLSA-N 1 0 304.459 3.966 50 0 DHAARO OCc1cccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000095421976 185360948 /nfs/dbraw/zinc/36/09/48/185360948.db2.gz NUAKBEGJOSRDTR-SFHVURJKSA-N 1 0 309.409 3.715 50 0 DHAARO COC(=O)CC1([NH2+]C[C@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000095453404 185369385 /nfs/dbraw/zinc/36/93/85/185369385.db2.gz ZNWCPXSYALLPKP-SJORKVTESA-N 1 0 301.430 3.646 50 0 DHAARO COc1ccc(CC[NH2+]CC(C)(C)c2ccccc2)cc1OC ZINC000095460046 185370660 /nfs/dbraw/zinc/37/06/60/185370660.db2.gz MBWVUGHHZUSVSQ-UHFFFAOYSA-N 1 0 313.441 3.814 50 0 DHAARO CC(C)C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)C(C)(C)C ZINC000095462760 185371154 /nfs/dbraw/zinc/37/11/54/185371154.db2.gz ZELPLMKZFHTVKX-QGZVFWFLSA-N 1 0 320.477 3.935 50 0 DHAARO Cc1ncsc1CC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000097011836 185397087 /nfs/dbraw/zinc/39/70/87/185397087.db2.gz FKGFIGPNXRDNCO-QGZVFWFLSA-N 1 0 315.486 3.595 50 0 DHAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000097022787 185398397 /nfs/dbraw/zinc/39/83/97/185398397.db2.gz XQELPOJZVOKLSL-PEBVRCNWSA-N 1 0 306.356 3.523 50 0 DHAARO O=C(Nc1ccccc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000095469268 185372427 /nfs/dbraw/zinc/37/24/27/185372427.db2.gz IJYMCJLIXIBLPT-UHFFFAOYSA-N 1 0 322.452 3.970 50 0 DHAARO Cc1csc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000080338733 192150047 /nfs/dbraw/zinc/15/00/47/192150047.db2.gz YJRWCBAWJJASPI-NVXWUHKLSA-N 1 0 315.486 3.594 50 0 DHAARO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccccc1Br ZINC000083704516 192379717 /nfs/dbraw/zinc/37/97/17/192379717.db2.gz GTMIWUDLXGRLPE-DZGCQCFKSA-N 1 0 323.278 3.508 50 0 DHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071749957 191022059 /nfs/dbraw/zinc/02/20/59/191022059.db2.gz SKMGWZRXFVBEBY-QGZVFWFLSA-N 1 0 315.436 3.712 50 0 DHAARO C[NH+](C)CCCn1c2ccccc2c2c1CCCSCC2 ZINC000071769129 191029045 /nfs/dbraw/zinc/02/90/45/191029045.db2.gz HLVZQLFKYGMNEJ-UHFFFAOYSA-N 1 0 302.487 3.815 50 0 DHAARO COc1ccc2c(c1)[nH]c1c2CC[N@H+](Cc2ccccc2)CC1 ZINC000071770646 191030504 /nfs/dbraw/zinc/03/05/04/191030504.db2.gz FZKKOZRHEXFDMG-UHFFFAOYSA-N 1 0 306.409 3.777 50 0 DHAARO O=C(Nc1cccc2cccnc21)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072138675 191047727 /nfs/dbraw/zinc/04/77/27/191047727.db2.gz RLCKRGWLCQAHQV-OAHLLOKOSA-N 1 0 317.392 3.564 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000072117753 191039120 /nfs/dbraw/zinc/03/91/20/191039120.db2.gz AVSXQKVXXSQBMQ-OKILXGFUSA-N 1 0 323.868 3.830 50 0 DHAARO CCCCc1ncc(C[N@H+](C)Cc2cccc3ncccc23)[nH]1 ZINC000072123990 191041674 /nfs/dbraw/zinc/04/16/74/191041674.db2.gz BUVNMOYMLMPKGE-UHFFFAOYSA-N 1 0 308.429 3.933 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000072144416 191050856 /nfs/dbraw/zinc/05/08/56/191050856.db2.gz QCJIDZPRVXEAGG-QGZVFWFLSA-N 1 0 314.429 3.984 50 0 DHAARO CC(C)c1cc(NCC2([NH+](C)C)CCCCC2)n2nccc2n1 ZINC000072151280 191055992 /nfs/dbraw/zinc/05/59/92/191055992.db2.gz WNHWJKUCPWDEGR-UHFFFAOYSA-N 1 0 315.465 3.529 50 0 DHAARO Cc1cccc2[nH]c([C@@H]3CCC[N@H+](Cc4ncccc4F)C3)nc21 ZINC000072149895 191056328 /nfs/dbraw/zinc/05/63/28/191056328.db2.gz VZMUJSWYQREYRG-CQSZACIVSA-N 1 0 324.403 3.785 50 0 DHAARO CC[N@@H+]1CCC[C@H](c2nccn2-c2cccc3cccnc32)C1 ZINC000072165785 191065485 /nfs/dbraw/zinc/06/54/85/191065485.db2.gz UUZVCODMUUYFEL-INIZCTEOSA-N 1 0 306.413 3.620 50 0 DHAARO Fc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccnc2)cc1 ZINC000072243079 191086253 /nfs/dbraw/zinc/08/62/53/191086253.db2.gz BUACVYVZCPTOTJ-SFHVURJKSA-N 1 0 322.387 3.574 50 0 DHAARO CCC(=O)N[C@@H]1CCC[N@H+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000225638343 186285391 /nfs/dbraw/zinc/28/53/91/186285391.db2.gz RYTFVTQFUNEEJP-GOSISDBHSA-N 1 0 316.489 3.517 50 0 DHAARO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CC ZINC000225668984 186288209 /nfs/dbraw/zinc/28/82/09/186288209.db2.gz XKFDCSDXMAMYEP-SOUVJXGZSA-N 1 0 304.434 3.581 50 0 DHAARO Cc1ccc(N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)nn1 ZINC000072422212 191159022 /nfs/dbraw/zinc/15/90/22/191159022.db2.gz ZAVABWAERLXVJB-INIZCTEOSA-N 1 0 316.836 3.515 50 0 DHAARO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000072473741 191176928 /nfs/dbraw/zinc/17/69/28/191176928.db2.gz ZMRBHALPTIWGCJ-GOSISDBHSA-N 1 0 301.455 3.564 50 0 DHAARO C[N@H+](Cc1cc(F)cc2cccnc21)[C@H](CCO)c1ccccc1 ZINC000072773178 191226855 /nfs/dbraw/zinc/22/68/55/191226855.db2.gz GUVJOHOAEPVRAY-LJQANCHMSA-N 1 0 324.399 3.929 50 0 DHAARO CCCCN(CCCC)C(=O)Cn1ccc(=[NH2+])c2ccccc21 ZINC000002023712 180906191 /nfs/dbraw/zinc/90/61/91/180906191.db2.gz BFBUJAWVAQRZKT-UHFFFAOYSA-N 1 0 313.445 3.550 50 0 DHAARO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000073052027 191273252 /nfs/dbraw/zinc/27/32/52/191273252.db2.gz ASFIILPESQKESB-HNNXBMFYSA-N 1 0 305.422 3.503 50 0 DHAARO CCC[NH+](CCC)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000003164815 180988462 /nfs/dbraw/zinc/98/84/62/180988462.db2.gz HOGOBLWZJBGFCX-KRWDZBQOSA-N 1 0 307.478 3.846 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000003864486 181050544 /nfs/dbraw/zinc/05/05/44/181050544.db2.gz GOJANQILHWLMMS-FCGDIQPGSA-N 1 0 311.510 3.557 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc12 ZINC000004110883 181074647 /nfs/dbraw/zinc/07/46/47/181074647.db2.gz DJIBOLGMPBZIIP-UHFFFAOYSA-N 1 0 321.376 3.867 50 0 DHAARO C[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000004657684 181132641 /nfs/dbraw/zinc/13/26/41/181132641.db2.gz QTPOTNHQSUXSIX-UHFFFAOYSA-N 1 0 309.768 3.786 50 0 DHAARO O=C([C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCCC1 ZINC000004746206 181146656 /nfs/dbraw/zinc/14/66/56/181146656.db2.gz NDBPMLBDIHPRNW-IBGZPJMESA-N 1 0 322.452 3.674 50 0 DHAARO CCOc1cc(C=O)ccc1OCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000004841020 181160777 /nfs/dbraw/zinc/16/07/77/181160777.db2.gz HXARIUNNYOFFKL-INIZCTEOSA-N 1 0 319.445 3.789 50 0 DHAARO CC[NH+](CC)CCNc1ncnc2sc3c(c21)C[C@H](C)CC3 ZINC000005033092 181194166 /nfs/dbraw/zinc/19/41/66/181194166.db2.gz IMWLHHPIVNYXAE-GFCCVEGCSA-N 1 0 318.490 3.570 50 0 DHAARO C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)[NH2+]Cc1cccnc1 ZINC000005249605 181221737 /nfs/dbraw/zinc/22/17/37/181221737.db2.gz YOGMQUBAEAYSMA-IIDMSEBBSA-N 1 0 300.446 3.757 50 0 DHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 ZINC000005591587 181261325 /nfs/dbraw/zinc/26/13/25/181261325.db2.gz SGUPGDODTVAVCQ-CYBMUJFWSA-N 1 0 311.857 3.972 50 0 DHAARO COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)[NH2+]C(C)(C)C2 ZINC000005645035 181267503 /nfs/dbraw/zinc/26/75/03/181267503.db2.gz RMAWLNPTDVRATH-QGZVFWFLSA-N 1 0 311.425 3.912 50 0 DHAARO C[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000005662422 181268437 /nfs/dbraw/zinc/26/84/37/181268437.db2.gz GWNUICPJXVTDAU-NSHDSACASA-N 1 0 300.324 3.518 50 0 DHAARO Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000085479447 192513118 /nfs/dbraw/zinc/51/31/18/192513118.db2.gz OBYVNNRCOTWGQT-KRWDZBQOSA-N 1 0 318.436 3.615 50 0 DHAARO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000237547459 202277254 /nfs/dbraw/zinc/27/72/54/202277254.db2.gz WITIWHTWCLSDHD-RYUDHWBXSA-N 1 0 320.820 3.656 50 0 DHAARO CCCCO[P@@](C)(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000006397672 181336982 /nfs/dbraw/zinc/33/69/82/181336982.db2.gz MHYQTYYTGDIMIE-BXTJHSDWSA-N 1 0 303.383 3.907 50 0 DHAARO COc1ccc2c(C[NH+]3CCCCCCC3)cc(=O)oc2c1 ZINC000006628050 181362838 /nfs/dbraw/zinc/36/28/38/181362838.db2.gz FAYZPXRTLQYWBU-UHFFFAOYSA-N 1 0 301.386 3.568 50 0 DHAARO CCOc1c(OC)cccc1[C@H](C[NH3+])c1c[nH]c2ccccc21 ZINC000006645709 181364696 /nfs/dbraw/zinc/36/46/96/181364696.db2.gz QOBRJZOCBYGGEH-HNNXBMFYSA-N 1 0 310.397 3.666 50 0 DHAARO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000006653265 181366065 /nfs/dbraw/zinc/36/60/65/181366065.db2.gz LOZNUBMYQGYUNT-KRWDZBQOSA-N 1 0 310.441 3.853 50 0 DHAARO O[C@]12CCCC[C@H]1[C@H](c1cccc(Cl)c1Cl)[NH2+]CC2 ZINC000006658427 181366769 /nfs/dbraw/zinc/36/67/69/181366769.db2.gz VIWGFBVZEDAVEE-CQDKDKBSSA-N 1 0 300.229 3.949 50 0 DHAARO CCOC(=O)[C@H]1CCC[N@H+](CCCCSc2ccccc2)C1 ZINC000006703326 181374196 /nfs/dbraw/zinc/37/41/96/181374196.db2.gz WMEAWZWECXJKSA-INIZCTEOSA-N 1 0 321.486 3.834 50 0 DHAARO C=Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000091444648 193057173 /nfs/dbraw/zinc/05/71/73/193057173.db2.gz VSVCPSLPHVENDF-OAQYLSRUSA-N 1 0 324.468 3.554 50 0 DHAARO CN(C(=O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1)c1ccccc1 ZINC000091474900 193061178 /nfs/dbraw/zinc/06/11/78/193061178.db2.gz ZLFGWDIVPSGOOL-OAQYLSRUSA-N 1 0 322.452 3.703 50 0 DHAARO CC1(C)C[N@H+](Cc2cc(C3CCCCC3)no2)CC[C@]1(C)O ZINC000091680542 193089993 /nfs/dbraw/zinc/08/99/93/193089993.db2.gz UANSJNKHCBCDDG-SFHVURJKSA-N 1 0 306.450 3.705 50 0 DHAARO Cc1[nH]c2c(cccc2C[NH+]2CCC(Cn3cccn3)CC2)c1C ZINC000215678362 201467442 /nfs/dbraw/zinc/46/74/42/201467442.db2.gz CVVWFRQBXVNERR-UHFFFAOYSA-N 1 0 322.456 3.893 50 0 DHAARO c1cncc(-c2cccc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)c2)c1 ZINC000093505915 193260880 /nfs/dbraw/zinc/26/08/80/193260880.db2.gz FWHWKMMKKANTJE-WOJBJXKFSA-N 1 0 308.425 3.750 50 0 DHAARO COc1ccccc1/C=C/CN1CC[N@H+](C)CC12CCCCC2 ZINC000093872023 193321071 /nfs/dbraw/zinc/32/10/71/193321071.db2.gz QEOPDIFLYQYRTQ-CSKARUKUSA-N 1 0 314.473 3.659 50 0 DHAARO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)c2ccccc12 ZINC000095968454 193465189 /nfs/dbraw/zinc/46/51/89/193465189.db2.gz RXBGKKFICYEPCW-ZIAGYGMSSA-N 1 0 309.413 3.994 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000095971529 193468154 /nfs/dbraw/zinc/46/81/54/193468154.db2.gz BQJFOGIYGGMQMJ-ROUUACIJSA-N 1 0 308.425 3.847 50 0 DHAARO C[S@](=O)c1ccc(C[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000095982507 193476545 /nfs/dbraw/zinc/47/65/45/193476545.db2.gz JJDLLPJAPKCDCP-JOCHJYFZSA-N 1 0 317.454 3.962 50 0 DHAARO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000008324104 181548396 /nfs/dbraw/zinc/54/83/96/181548396.db2.gz JXFOIVVDURXZBO-SHARSMKWSA-N 1 0 304.434 3.581 50 0 DHAARO O=C(c1ccccc1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000008613173 181569180 /nfs/dbraw/zinc/56/91/80/181569180.db2.gz RCDIVBQDGNALGO-SFHVURJKSA-N 1 0 300.446 3.557 50 0 DHAARO Cc1c(C)n(Cc2cccnc2)c2[nH+]c3c(c(N)c12)CCCC3 ZINC000012324869 181750835 /nfs/dbraw/zinc/75/08/35/181750835.db2.gz XTIJEZZYEDNESD-UHFFFAOYSA-N 1 0 306.413 3.557 50 0 DHAARO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000012809946 181800716 /nfs/dbraw/zinc/80/07/16/181800716.db2.gz HHWGKKRJFHZDRY-ZQIUZPCESA-N 1 0 304.434 3.581 50 0 DHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000015549901 182006268 /nfs/dbraw/zinc/00/62/68/182006268.db2.gz IPIKXRHLVLBQJO-GOSISDBHSA-N 1 0 318.367 3.890 50 0 DHAARO Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000015580804 182007789 /nfs/dbraw/zinc/00/77/89/182007789.db2.gz OHMBPLGFHXKJJC-UHFFFAOYSA-N 1 0 308.425 3.720 50 0 DHAARO Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000015860010 182021955 /nfs/dbraw/zinc/02/19/55/182021955.db2.gz QQUCCLBCZXNQNG-KRWDZBQOSA-N 1 0 312.413 3.545 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@@H](C)C[NH2+]C[C@H]2CCCO2)c1 ZINC000016192825 182036523 /nfs/dbraw/zinc/03/65/23/182036523.db2.gz IJNRPSLQUTZEGT-DLBZAZTESA-N 1 0 305.462 3.902 50 0 DHAARO CCC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016607033 182053240 /nfs/dbraw/zinc/05/32/40/182053240.db2.gz VLBSYRUOIHSQMN-AWEZNQCLSA-N 1 0 322.880 3.857 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000017314475 182082984 /nfs/dbraw/zinc/08/29/84/182082984.db2.gz IBYLYDQGBMRPMH-UHFFFAOYSA-N 1 0 302.805 3.631 50 0 DHAARO CCOc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019359660 182118578 /nfs/dbraw/zinc/11/85/78/182118578.db2.gz IFKBWBBKZKEALA-MJGOQNOKSA-N 1 0 316.489 3.782 50 0 DHAARO COc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1OC ZINC000019720964 182138182 /nfs/dbraw/zinc/13/81/82/182138182.db2.gz PKQRKCAJPSOWEP-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO COc1ccccc1CC[NH2+]Cc1ccc(Br)cc1 ZINC000019721057 182138280 /nfs/dbraw/zinc/13/82/80/182138280.db2.gz QWIGSZMHHPPRII-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019781895 182148508 /nfs/dbraw/zinc/14/85/08/182148508.db2.gz FRTXAMTYYKQZJW-UHFFFAOYSA-N 1 0 314.860 3.966 50 0 DHAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000019907238 182163051 /nfs/dbraw/zinc/16/30/51/182163051.db2.gz ADFOYEWFVUCSHF-KRWDZBQOSA-N 1 0 303.789 3.592 50 0 DHAARO Clc1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1Cl ZINC000019850794 182157307 /nfs/dbraw/zinc/15/73/07/182157307.db2.gz AFLCHFBMURFMJS-QGZVFWFLSA-N 1 0 321.251 3.988 50 0 DHAARO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCCCC1 ZINC000020100395 182186938 /nfs/dbraw/zinc/18/69/38/182186938.db2.gz KPGDQGKCBIYHIZ-UHFFFAOYSA-N 1 0 320.864 3.565 50 0 DHAARO C[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CCCC2)c2ccccc2)C1 ZINC000020108384 182187624 /nfs/dbraw/zinc/18/76/24/182187624.db2.gz QVXCIYSIZNYDPI-CRAIPNDOSA-N 1 0 300.446 3.518 50 0 DHAARO c1ccc(-c2ccccc2OCCCC[NH+]2CCOCC2)cc1 ZINC000020118456 182189400 /nfs/dbraw/zinc/18/94/00/182189400.db2.gz DFWFQEUYFYOQPZ-UHFFFAOYSA-N 1 0 311.425 3.845 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2C)c2ccccc12 ZINC000020060011 182184694 /nfs/dbraw/zinc/18/46/94/182184694.db2.gz GDDCYANZONIPGV-LSBZLQRGSA-N 1 0 314.473 3.787 50 0 DHAARO CC(C)(C)c1ccc(OCCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000020272688 182202635 /nfs/dbraw/zinc/20/26/35/182202635.db2.gz JHWYNSLEHKFNBJ-UHFFFAOYSA-N 1 0 324.896 3.702 50 0 DHAARO CCN1CC[NH+](CCCCOc2ccc(C(C)C)c(C)c2)CC1 ZINC000020390289 182213458 /nfs/dbraw/zinc/21/34/58/182213458.db2.gz MFGUWRHEOCCGTH-UHFFFAOYSA-N 1 0 318.505 3.915 50 0 DHAARO O=C(C[C@@H]1[NH2+]CCc2ccccc21)Nc1ccccc1Cl ZINC000020404870 182215278 /nfs/dbraw/zinc/21/52/78/182215278.db2.gz ABJDZBPTRZYDHL-INIZCTEOSA-N 1 0 300.789 3.556 50 0 DHAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCCCC3)cc2)C1 ZINC000020456733 182219552 /nfs/dbraw/zinc/21/95/52/182219552.db2.gz IVXPWXABFYTTKK-KRWDZBQOSA-N 1 0 314.473 3.935 50 0 DHAARO CCOc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000020507129 182225882 /nfs/dbraw/zinc/22/58/82/182225882.db2.gz OIHYWHDYXMCANR-GOSISDBHSA-N 1 0 317.816 3.982 50 0 DHAARO CCOc1cc2c(cc1OCC)[C@@H](c1cccc(F)c1)[NH2+]CC2 ZINC000020506912 182226063 /nfs/dbraw/zinc/22/60/63/182226063.db2.gz IAURJNAXEQPYIE-LJQANCHMSA-N 1 0 315.388 3.858 50 0 DHAARO Cc1cc(C)cc(NC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000021175267 182268275 /nfs/dbraw/zinc/26/82/75/182268275.db2.gz QRCCCRHQBGCMOT-INIZCTEOSA-N 1 0 315.461 3.689 50 0 DHAARO FC(F)(F)c1ccccc1[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000022028469 182305393 /nfs/dbraw/zinc/30/53/93/182305393.db2.gz WTLBWHFURSVCGL-QGZVFWFLSA-N 1 0 320.358 3.700 50 0 DHAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CCCCC1 ZINC000022455373 182322371 /nfs/dbraw/zinc/32/23/71/182322371.db2.gz IPVAQYBSKJLMME-AWEZNQCLSA-N 1 0 314.395 3.712 50 0 DHAARO COc1ccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c(OC)c1 ZINC000023280370 182355857 /nfs/dbraw/zinc/35/58/57/182355857.db2.gz VGWYSEMOMRGELR-CQSZACIVSA-N 1 0 315.413 3.520 50 0 DHAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000023375186 182358047 /nfs/dbraw/zinc/35/80/47/182358047.db2.gz XQMYUCZGLJJCAJ-LJQANCHMSA-N 1 0 314.498 3.887 50 0 DHAARO CCc1n[nH]c2c1C[N@@H+]([C@@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000023505039 182362268 /nfs/dbraw/zinc/36/22/68/182362268.db2.gz USNPGUCTGJHFOX-AWEZNQCLSA-N 1 0 322.456 3.833 50 0 DHAARO Cc1cc(C[NH2+][C@@H](C)[C@H](O)c2ccc(O)cc2)c(C)n1C(C)C ZINC000023673483 182365884 /nfs/dbraw/zinc/36/58/84/182365884.db2.gz POCGPUUYGAXVLS-LIRRHRJNSA-N 1 0 316.445 3.603 50 0 DHAARO c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000024082013 182375205 /nfs/dbraw/zinc/37/52/05/182375205.db2.gz XFBKZLAPGFZMJH-IBGZPJMESA-N 1 0 319.408 3.545 50 0 DHAARO COCC[N@H+](Cc1csc(-c2ccco2)n1)[C@@H](C)C1CC1 ZINC000040120811 183037989 /nfs/dbraw/zinc/03/79/89/183037989.db2.gz UHTNUSWQLZCKPW-LBPRGKRZSA-N 1 0 306.431 3.650 50 0 DHAARO O[C@@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000042132469 183234385 /nfs/dbraw/zinc/23/43/85/183234385.db2.gz SIQVXMWPENGURW-WMZOPIPTSA-N 1 0 322.408 3.741 50 0 DHAARO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000042959974 183323648 /nfs/dbraw/zinc/32/36/48/183323648.db2.gz DFZUBZOXCPZJDB-UONOGXRCSA-N 1 0 324.350 3.682 50 0 DHAARO CC(C)c1cc(Br)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042774633 183307748 /nfs/dbraw/zinc/30/77/48/183307748.db2.gz HRROSGWUNZJLIU-GFCCVEGCSA-N 1 0 312.251 3.951 50 0 DHAARO Cc1ccc(-c2nc(C[N@H+](C[C@H]3CCOC3)C3CC3)cs2)o1 ZINC000044975369 183471150 /nfs/dbraw/zinc/47/11/50/183471150.db2.gz HJEMSAFUUXKMJG-CYBMUJFWSA-N 1 0 318.442 3.712 50 0 DHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCCCc2ccccn2)cc1 ZINC000055212168 183971699 /nfs/dbraw/zinc/97/16/99/183971699.db2.gz RIVFHVLHVFSPBI-UHFFFAOYSA-N 1 0 324.403 3.723 50 0 DHAARO C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000056284317 184009351 /nfs/dbraw/zinc/00/93/51/184009351.db2.gz CFIMKXITHSCNPU-OAHLLOKOSA-N 1 0 322.452 3.891 50 0 DHAARO Cc1c(C(=O)NCC[NH+]2CCCCC2)oc2c1c(C)ccc2C ZINC000056397980 184011858 /nfs/dbraw/zinc/01/18/58/184011858.db2.gz FBYFUNIBAAMCPF-UHFFFAOYSA-N 1 0 314.429 3.574 50 0 DHAARO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)oc2c1c(C)ccc2C ZINC000056379944 184011996 /nfs/dbraw/zinc/01/19/96/184011996.db2.gz ZJVIHFLLRGRRMR-UHFFFAOYSA-N 1 0 314.429 3.524 50 0 DHAARO Cc1cccc(N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)c1 ZINC000058010610 184066674 /nfs/dbraw/zinc/06/66/74/184066674.db2.gz OQIATTGXTOLAMV-UHFFFAOYSA-N 1 0 308.425 3.624 50 0 DHAARO FC(F)(F)c1cccc(C[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000058169325 184083726 /nfs/dbraw/zinc/08/37/26/184083726.db2.gz WYIYCPCRHZEXCD-CQSZACIVSA-N 1 0 323.314 3.635 50 0 DHAARO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000058167399 184083894 /nfs/dbraw/zinc/08/38/94/184083894.db2.gz CJJQEKIFFHMXOY-UHFFFAOYSA-N 1 0 309.841 3.678 50 0 DHAARO OC1(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CCCCC1 ZINC000058171221 184084285 /nfs/dbraw/zinc/08/42/85/184084285.db2.gz LGKHRIDVSUBRQA-UHFFFAOYSA-N 1 0 319.836 3.515 50 0 DHAARO CC[N@H+](C)Cc1cccc(CNc2cc(Cl)nc(C)n2)c1 ZINC000058179318 184085083 /nfs/dbraw/zinc/08/50/83/184085083.db2.gz CNQSQASUTHXYPX-UHFFFAOYSA-N 1 0 304.825 3.502 50 0 DHAARO Cc1cccc(NC(=O)C[NH2+]Cc2ccc(Cl)cc2)c1C ZINC000058160393 184082018 /nfs/dbraw/zinc/08/20/18/184082018.db2.gz LIFFNGYTHDOKIR-UHFFFAOYSA-N 1 0 302.805 3.685 50 0 DHAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000058160750 184082279 /nfs/dbraw/zinc/08/22/79/184082279.db2.gz GWKFRPFDMSUKOX-DNVCBOLYSA-N 1 0 320.436 3.631 50 0 DHAARO CC[NH+]1CCC(N(C(=O)c2cccc3ccccc32)C2CC2)CC1 ZINC000058403803 184113174 /nfs/dbraw/zinc/11/31/74/184113174.db2.gz OZAPHIOUWOYNHJ-UHFFFAOYSA-N 1 0 322.452 3.929 50 0 DHAARO CCC(CC)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058407173 184114438 /nfs/dbraw/zinc/11/44/38/184114438.db2.gz RUAMOLDZCOBHEG-CQSZACIVSA-N 1 0 308.491 3.513 50 0 DHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000058612993 184125028 /nfs/dbraw/zinc/12/50/28/184125028.db2.gz HKJNTLKUTJGAOE-MRXNPFEDSA-N 1 0 316.445 3.702 50 0 DHAARO CCC[NH+]1CCC(N(C)C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000060404412 184148671 /nfs/dbraw/zinc/14/86/71/184148671.db2.gz BDSXXBHKLXTUBO-DLBZAZTESA-N 1 0 306.494 3.558 50 0 DHAARO CCc1ccsc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000059983826 184143321 /nfs/dbraw/zinc/14/33/21/184143321.db2.gz WHGLHZKRUATWFI-ZDUSSCGKSA-N 1 0 308.491 3.551 50 0 DHAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2-c2ccccc2)C1 ZINC000063706466 184286780 /nfs/dbraw/zinc/28/67/80/184286780.db2.gz CRRZYCRIPCBIRC-KRWDZBQOSA-N 1 0 322.452 3.814 50 0 DHAARO Cc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C)n1C(C)C ZINC000063726873 184287012 /nfs/dbraw/zinc/28/70/12/184287012.db2.gz WXRIUMFHMBJOTO-UHFFFAOYSA-N 1 0 319.493 3.632 50 0 DHAARO CCC[NH+]1CCC(N[C@H](c2ccncc2)c2ccccc2C)CC1 ZINC000065394145 184334736 /nfs/dbraw/zinc/33/47/36/184334736.db2.gz NFMCAEKBWHNJMU-OAQYLSRUSA-N 1 0 323.484 3.943 50 0 DHAARO Cc1ccccc1NC(=O)CC[NH2+][C@H](c1ncccc1C)C1CC1 ZINC000065408568 184339616 /nfs/dbraw/zinc/33/96/16/184339616.db2.gz IATXKKVCPOKIDY-FQEVSTJZSA-N 1 0 323.440 3.768 50 0 DHAARO C[C@@H](c1ccc(-c2ccc3c(c2)CCC3=O)cc1)[NH+]1CCOCC1 ZINC000065417265 184341146 /nfs/dbraw/zinc/34/11/46/184341146.db2.gz OAVVSEOKWLGPBS-HNNXBMFYSA-N 1 0 321.420 3.876 50 0 DHAARO c1cn(CC[C@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)cn1 ZINC000065451634 184346569 /nfs/dbraw/zinc/34/65/69/184346569.db2.gz OMVGAWSXNCTLTG-GOSISDBHSA-N 1 0 320.440 3.876 50 0 DHAARO COc1cccc([C@@H](C)[NH2+]CC(=O)NC2CCCCCCC2)c1 ZINC000065462396 184349033 /nfs/dbraw/zinc/34/90/33/184349033.db2.gz FCSKGOLODOFUNX-OAHLLOKOSA-N 1 0 318.461 3.575 50 0 DHAARO Cc1ccc2c(c1)c(C[NH2+][C@H](C)CCc1ccc(O)cc1)nn2C ZINC000065395071 184335453 /nfs/dbraw/zinc/33/54/53/184335453.db2.gz OVKXWWYBVVDEQR-OAHLLOKOSA-N 1 0 323.440 3.698 50 0 DHAARO CC(C)CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000065587553 184369398 /nfs/dbraw/zinc/36/93/98/184369398.db2.gz GNRSVNMQZLFVKU-GFCCVEGCSA-N 1 0 314.376 3.593 50 0 DHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccn1-c1ccccn1 ZINC000065505946 184356590 /nfs/dbraw/zinc/35/65/90/184356590.db2.gz XELDMFFDIIEOSX-QGZVFWFLSA-N 1 0 322.412 3.814 50 0 DHAARO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(CC(C)C)on1)CC2 ZINC000067679282 184478827 /nfs/dbraw/zinc/47/88/27/184478827.db2.gz GJOOEMMXCRXPFV-INIZCTEOSA-N 1 0 314.429 3.529 50 0 DHAARO CC[N@H+](C[C@H](O)COc1ccc2c(c1)CCC2)C1CCCCC1 ZINC000006400971 257233802 /nfs/dbraw/zinc/23/38/02/257233802.db2.gz PEVHJXKQXUGEQB-IBGZPJMESA-N 1 0 317.473 3.570 50 0 DHAARO COCc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)ccc1F ZINC000095422713 257211362 /nfs/dbraw/zinc/21/13/62/257211362.db2.gz JVEIYRQRVXBXRH-LBPRGKRZSA-N 1 0 317.360 3.552 50 0 DHAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccn1)CCC2 ZINC000216497364 257273340 /nfs/dbraw/zinc/27/33/40/257273340.db2.gz CJUQXSIRPLQRCY-LJQANCHMSA-N 1 0 308.425 3.916 50 0 DHAARO c1cnc2c(c1)cccc2C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342194495 257237154 /nfs/dbraw/zinc/23/71/54/257237154.db2.gz PCDCWRLTKYHOEZ-UHFFFAOYSA-N 1 0 318.376 3.742 50 0 DHAARO CC[C@@H](NC(=O)c1ccc2nc(C)sc2c1)c1nc(C)c[nH]1 ZINC000426571498 257245857 /nfs/dbraw/zinc/24/58/57/257245857.db2.gz MWERNZCRIPCMQH-GFCCVEGCSA-N 1 0 314.414 3.517 50 0 DHAARO [NH3+][C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccc4occc4c3)cc2)C1 ZINC000426510252 257247399 /nfs/dbraw/zinc/24/73/99/257247399.db2.gz NBMGEZXHIXCIFN-MSOLQXFVSA-N 1 0 320.392 3.709 50 0 DHAARO C[C@H](c1cccc(-c2cc(CO)ncc2F)c1)[NH+]1CCCC1 ZINC000426432066 257250620 /nfs/dbraw/zinc/25/06/20/257250620.db2.gz VICAEQSWADATIN-CYBMUJFWSA-N 1 0 300.377 3.537 50 0 DHAARO CC(C)(CC1CCCCCC1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000408516282 257256025 /nfs/dbraw/zinc/25/60/25/257256025.db2.gz KOJBRLSLJUPUCD-INIZCTEOSA-N 1 0 315.523 3.540 50 0 DHAARO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccccc1Br ZINC000240551410 257259517 /nfs/dbraw/zinc/25/95/17/257259517.db2.gz GTMIWUDLXGRLPE-ZFWWWQNUSA-N 1 0 323.278 3.508 50 0 DHAARO COCc1cc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)ccc1F ZINC000095422705 262500780 /nfs/dbraw/zinc/50/07/80/262500780.db2.gz AHKPRDRNVIIADE-LBPRGKRZSA-N 1 0 321.367 3.971 50 0 DHAARO Cc1ncccc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000093838533 332142982 /nfs/dbraw/zinc/14/29/82/332142982.db2.gz VOQCOLOPLJRQPL-HNNXBMFYSA-N 1 0 302.805 3.697 50 0 DHAARO Cn1c(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)nnc1C1CCC1 ZINC000133668732 337383245 /nfs/dbraw/zinc/38/32/45/337383245.db2.gz WRYWXIHDQRCXCU-IRXDYDNUSA-N 1 0 310.445 3.509 50 0 DHAARO CCC(C)(C)[NH2+]CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000014014426 563556183 /nfs/dbraw/zinc/55/61/83/563556183.db2.gz XWZDRDLFRRSJMA-UHFFFAOYSA-N 1 0 317.458 3.835 50 0 DHAARO CC(C)[N@H+](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000260985 563583535 /nfs/dbraw/zinc/58/35/35/563583535.db2.gz AGKDURZPYPVHHA-UHFFFAOYSA-N 1 0 309.841 3.677 50 0 DHAARO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000225354505 563870121 /nfs/dbraw/zinc/87/01/21/563870121.db2.gz AMRCHEXOZFYEQS-CHWSQXEVSA-N 1 0 308.853 3.590 50 0 DHAARO CC[N@H+](CCCO[C@@H]1CCCCO1)[C@H](C)c1cccc(O)c1 ZINC000225397330 563870133 /nfs/dbraw/zinc/87/01/33/563870133.db2.gz FIEPZQXAIFSRSQ-CRAIPNDOSA-N 1 0 307.434 3.708 50 0 DHAARO CCCC[NH+](CCCC)C[C@@H](O)COCc1ccccc1F ZINC000003179333 563942710 /nfs/dbraw/zinc/94/27/10/563942710.db2.gz AFAUZGYXRCPVAX-QGZVFWFLSA-N 1 0 311.441 3.605 50 0 DHAARO COCC[N@H+](Cc1cn(C)nc1-c1cccc(Cl)c1)C(C)C ZINC000012586950 563371753 /nfs/dbraw/zinc/37/17/53/563371753.db2.gz GROZYMPXCFZXAX-UHFFFAOYSA-N 1 0 321.852 3.597 50 0 DHAARO CCSCCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000072304850 563443900 /nfs/dbraw/zinc/44/39/00/563443900.db2.gz GJHWIMNYVZVZAT-OAHLLOKOSA-N 1 0 307.459 3.738 50 0 DHAARO Cc1cc(OC[C@H](O)C[NH+]2CCCCCC2)ccc1C(C)C ZINC000000438893 563447653 /nfs/dbraw/zinc/44/76/53/563447653.db2.gz CDTVLVPRUAHJGR-QGZVFWFLSA-N 1 0 305.462 3.734 50 0 DHAARO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000071882091 563211561 /nfs/dbraw/zinc/21/15/61/563211561.db2.gz JLCKUUIPVBODSH-VXGBXAGGSA-N 1 0 316.430 3.647 50 0 DHAARO COc1ccccc1N1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000000238316 563232153 /nfs/dbraw/zinc/23/21/53/563232153.db2.gz GQZGOVYCZXNWGZ-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO Cc1ccc(C)c(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000000307222 563238974 /nfs/dbraw/zinc/23/89/74/563238974.db2.gz QLXRXRHGDDURGV-UHFFFAOYSA-N 1 0 319.518 3.899 50 0 DHAARO Fc1ccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000000317009 563240840 /nfs/dbraw/zinc/24/08/40/563240840.db2.gz WUAMWPHLEZCWBI-UHFFFAOYSA-N 1 0 324.443 3.848 50 0 DHAARO COc1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1 ZINC000000390361 563249455 /nfs/dbraw/zinc/24/94/55/563249455.db2.gz QKCNKCDWSCWXDQ-UHFFFAOYSA-N 1 0 301.369 3.892 50 0 DHAARO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000000452975 563256585 /nfs/dbraw/zinc/25/65/85/563256585.db2.gz JLNSLLGNIUAVRJ-UHFFFAOYSA-N 1 0 314.816 3.727 50 0 DHAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000001188596 563279283 /nfs/dbraw/zinc/27/92/83/563279283.db2.gz HNHQAOOBEYWCDN-IXDOHACOSA-N 1 0 319.489 3.987 50 0 DHAARO COc1cc(C)c(C[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000001227423 563280228 /nfs/dbraw/zinc/28/02/28/563280228.db2.gz NFGJGJHFBGZVMK-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO OCC[NH2+][C@H]1CCCc2c3cc(-c4ccccc4)ccc3[nH]c21 ZINC000001820906 563296139 /nfs/dbraw/zinc/29/61/39/563296139.db2.gz RXIUMAOXORBRCY-IBGZPJMESA-N 1 0 306.409 3.794 50 0 in-vitro DHAARO CC[NH+](CC)CCCCOc1ccc(Br)cc1 ZINC000002494181 563304443 /nfs/dbraw/zinc/30/44/43/563304443.db2.gz DFZVBVARUSCTJS-UHFFFAOYSA-N 1 0 300.240 3.950 50 0 DHAARO COc1ccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000002514996 563305330 /nfs/dbraw/zinc/30/53/30/563305330.db2.gz GDPRKFPGCXGJNX-UHFFFAOYSA-N 1 0 309.409 3.912 50 0 DHAARO CCCC[NH2+]CCOCCOc1c(Cl)cccc1Cl ZINC000002975045 563318570 /nfs/dbraw/zinc/31/85/70/563318570.db2.gz ZTBVWDQCFGSXDG-UHFFFAOYSA-N 1 0 306.233 3.779 50 0 DHAARO C[n+]1ccc(C(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)cc1 ZINC000003107435 563321812 /nfs/dbraw/zinc/32/18/12/563321812.db2.gz LZDYDKSFVOMARM-UHFFFAOYSA-N 1 0 304.454 3.605 50 0 DHAARO Cc1cc(C)cc(C[C@](O)(c2ccccc2)[C@H](C)C[NH+](C)C)c1 ZINC000003200659 563323308 /nfs/dbraw/zinc/32/33/08/563323308.db2.gz LUNIEBFSQFLIRQ-WIYYLYMNSA-N 1 0 311.469 3.931 50 0 DHAARO CCC(CC)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000004685490 563327647 /nfs/dbraw/zinc/32/76/47/563327647.db2.gz OFSUTTFNIYBYPB-UHFFFAOYSA-N 1 0 316.239 3.745 50 0 DHAARO Cc1nnc([C@@H](C)Nc2ccc(CC[NH+]3CCCCC3)cc2)o1 ZINC000071902553 563331391 /nfs/dbraw/zinc/33/13/91/563331391.db2.gz SZEQQESBCVGQLX-CQSZACIVSA-N 1 0 314.433 3.580 50 0 DHAARO C[C@H]1SCCN(Cc2nnc(-c3ccccc3Cl)o2)[C@@H]1C ZINC000071911154 563333440 /nfs/dbraw/zinc/33/34/40/563333440.db2.gz PIMVHAPQPRLHEI-GHMZBOCLSA-N 1 0 323.849 3.716 50 0 DHAARO Cc1cc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1Cl ZINC000008552896 563348066 /nfs/dbraw/zinc/34/80/66/563348066.db2.gz HWEKXNATKPHZJB-ZNMIVQPWSA-N 1 0 311.853 3.651 50 0 DHAARO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000097600569 563353037 /nfs/dbraw/zinc/35/30/37/563353037.db2.gz QVUXEUDCZAGHJD-GOSISDBHSA-N 1 0 316.832 3.681 50 0 DHAARO COc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1cccnc1 ZINC000010315446 563355970 /nfs/dbraw/zinc/35/59/70/563355970.db2.gz YNJVHZYUJTWBQE-UHFFFAOYSA-N 1 0 320.820 3.821 50 0 DHAARO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474353 563357427 /nfs/dbraw/zinc/35/74/27/563357427.db2.gz KSZZCOCKBIZBTQ-MRXNPFEDSA-N 1 0 319.832 3.780 50 0 DHAARO COCC[N@H+](Cc1nc(-c2cc(F)ccc2F)oc1C)C(C)C ZINC000011773296 563358902 /nfs/dbraw/zinc/35/89/02/563358902.db2.gz UMFHLAMTNXFOST-UHFFFAOYSA-N 1 0 324.371 3.785 50 0 DHAARO FC(F)(F)CCC[N@@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000011819262 563359994 /nfs/dbraw/zinc/35/99/94/563359994.db2.gz DONZYBYAQZUGGE-UHFFFAOYSA-N 1 0 309.335 3.777 50 0 DHAARO COc1cccc(CC[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000011937855 563360867 /nfs/dbraw/zinc/36/08/67/563360867.db2.gz KFTZFVZLAZFVNP-GOSISDBHSA-N 1 0 310.441 3.935 50 0 DHAARO CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000011933285 563360889 /nfs/dbraw/zinc/36/08/89/563360889.db2.gz PRBBYPVSECLNTI-HXUWFJFHSA-N 1 0 314.473 3.610 50 0 DHAARO Cc1cc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C(C)C ZINC000012169999 563363396 /nfs/dbraw/zinc/36/33/96/563363396.db2.gz IBEOLOWEHFZXPQ-XYJFISCASA-N 1 0 319.489 3.836 50 0 DHAARO COc1ccc(CC[C@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)cc1 ZINC000012198014 563363780 /nfs/dbraw/zinc/36/37/80/563363780.db2.gz KOHAIZVKOFCOSE-QGZVFWFLSA-N 1 0 313.445 3.572 50 0 DHAARO CCN(CC)c1ncccc1C[NH2+]Cc1ccc(Cl)s1 ZINC000012751461 563373175 /nfs/dbraw/zinc/37/31/75/563373175.db2.gz NXWQKILJBCFNKC-UHFFFAOYSA-N 1 0 309.866 3.933 50 0 DHAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(C)o3)C2)c1 ZINC000012710042 563373473 /nfs/dbraw/zinc/37/34/73/563373473.db2.gz VSYFKTMCNACXJW-INIZCTEOSA-N 1 0 313.397 3.692 50 0 DHAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000013145632 563379677 /nfs/dbraw/zinc/37/96/77/563379677.db2.gz FHVURWWJQTVXLA-LZLYRXPVSA-N 1 0 305.462 3.718 50 0 DHAARO O=C(Nc1ccccc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000013735666 563388247 /nfs/dbraw/zinc/38/82/47/563388247.db2.gz YRGKJYVHQXGBGK-QGZVFWFLSA-N 1 0 301.434 3.559 50 0 DHAARO O=C(Nc1ccccc1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015070914 563406818 /nfs/dbraw/zinc/40/68/18/563406818.db2.gz BBYQVAVZXVCYRE-KRWDZBQOSA-N 1 0 315.461 3.995 50 0 DHAARO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000016396262 563412212 /nfs/dbraw/zinc/41/22/12/563412212.db2.gz KEFYOASRGPLSRT-UHFFFAOYSA-N 1 0 322.452 3.523 50 0 DHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1ccccc1 ZINC000027580702 563428170 /nfs/dbraw/zinc/42/81/70/563428170.db2.gz OTTZSKGLDYXAOQ-MRXNPFEDSA-N 1 0 314.454 3.705 50 0 DHAARO CCC(CC)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027664371 563429564 /nfs/dbraw/zinc/42/95/64/563429564.db2.gz VJHLGSWRRHEANZ-HNNXBMFYSA-N 1 0 308.491 3.828 50 0 DHAARO O=C(c1ccco1)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000027995340 563431029 /nfs/dbraw/zinc/43/10/29/563431029.db2.gz KFIVGKPMGUIZEO-INIZCTEOSA-N 1 0 304.434 3.540 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCCCCC2)c2ccc(C)cc12 ZINC000028297074 563431724 /nfs/dbraw/zinc/43/17/24/563431724.db2.gz OMGZEVTXRRUVFX-SFHVURJKSA-N 1 0 314.473 3.803 50 0 DHAARO Cc1ccc(F)cc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029483649 563434452 /nfs/dbraw/zinc/43/44/52/563434452.db2.gz UCCKUEUTYWLRJK-SFHVURJKSA-N 1 0 312.388 3.692 50 0 DHAARO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029482811 563434644 /nfs/dbraw/zinc/43/46/44/563434644.db2.gz MZHKJKBRTVVPNC-FOIQADDNSA-N 1 0 320.436 3.584 50 0 DHAARO CC(C)[C@H](NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccs1 ZINC000029596994 563435192 /nfs/dbraw/zinc/43/51/92/563435192.db2.gz GHQSAUPEWUARBG-CPUCHLNUSA-N 1 0 308.491 3.539 50 0 DHAARO Cc1cc(C)c(C[NH2+][C@@H](C)CCCC(C)(C)O)c(C)c1CO ZINC000032523831 563442484 /nfs/dbraw/zinc/44/24/84/563442484.db2.gz FTONZKWGRJWDKV-HNNXBMFYSA-N 1 0 307.478 3.523 50 0 DHAARO CCCCOc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)cc1 ZINC000022078377 563449790 /nfs/dbraw/zinc/44/97/90/563449790.db2.gz COKPFBSWXKLWQT-QFBILLFUSA-N 1 0 302.462 3.534 50 0 DHAARO C[NH+]1CCC(OC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000033005411 563461209 /nfs/dbraw/zinc/46/12/09/563461209.db2.gz CLJRHOCAJDAAAD-UHFFFAOYSA-N 1 0 309.818 3.806 50 0 DHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)nc2)c1 ZINC000055100331 563471221 /nfs/dbraw/zinc/47/12/21/563471221.db2.gz FWYNTLHCDOAHPV-CYBMUJFWSA-N 1 0 323.362 3.867 50 0 DHAARO CCn1ncnc1CN(C)[C@@H](CCC(C)C)c1ccccc1 ZINC000055254791 563472613 /nfs/dbraw/zinc/47/26/13/563472613.db2.gz IKDOJXJOLDWWSU-KRWDZBQOSA-N 1 0 300.450 3.907 50 0 DHAARO CCCn1ncc(C[N@H+](C)CCOc2cc(C)ccc2C)c1C ZINC000055307897 563473817 /nfs/dbraw/zinc/47/38/17/563473817.db2.gz IWMDYZBWHQCSME-UHFFFAOYSA-N 1 0 315.461 3.729 50 0 DHAARO C[C@@H]1C[C@@H]([N@H+](C)CCc2ccncc2)CCN1Cc1ccccc1 ZINC000096414926 563481113 /nfs/dbraw/zinc/48/11/13/563481113.db2.gz ZIVXBPAXOUVBBE-NQIIRXRSSA-N 1 0 323.484 3.609 50 0 DHAARO Cc1nc(C)c(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)s1 ZINC000096486374 563485449 /nfs/dbraw/zinc/48/54/49/563485449.db2.gz ZATPWJOVCLIQBD-BMIGLBTASA-N 1 0 308.422 3.501 50 0 DHAARO CCCc1ccc(C(=O)N(CC2=CCC[N@H+](C)C2)C2CC2)cc1 ZINC000067562218 563487551 /nfs/dbraw/zinc/48/75/51/563487551.db2.gz HVUBIGPIKKAGDB-UHFFFAOYSA-N 1 0 312.457 3.506 50 0 DHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(CO)CC1 ZINC000067713105 563489648 /nfs/dbraw/zinc/48/96/48/563489648.db2.gz MJIXGOYGJKDVKQ-UHFFFAOYSA-N 1 0 320.820 3.508 50 0 DHAARO Cc1cnc(C)c(Oc2cccc(C[NH+]3CCCC3)c2F)n1 ZINC000067894466 563492909 /nfs/dbraw/zinc/49/29/09/563492909.db2.gz OVQJILHFZGKQJL-UHFFFAOYSA-N 1 0 301.365 3.621 50 0 DHAARO CC(C)c1ccccc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000076330356 563505837 /nfs/dbraw/zinc/50/58/37/563505837.db2.gz NZEIPTMDBNMVBW-HNNXBMFYSA-N 1 0 301.434 3.512 50 0 DHAARO Cc1n[nH]cc1C[NH2+]Cc1ccccc1COc1ccccc1 ZINC000097159240 563507354 /nfs/dbraw/zinc/50/73/54/563507354.db2.gz SHSGXVGMAZQHTP-UHFFFAOYSA-N 1 0 307.397 3.587 50 0 DHAARO CC(C)OCc1ccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000097159619 563507687 /nfs/dbraw/zinc/50/76/87/563507687.db2.gz UQPBDIQFQDMVHQ-UHFFFAOYSA-N 1 0 315.461 3.922 50 0 DHAARO CCc1nc(C)sc1C[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000077343156 563509314 /nfs/dbraw/zinc/50/93/14/563509314.db2.gz BTQMYLRUYQNPIS-OAHLLOKOSA-N 1 0 318.490 3.655 50 0 DHAARO c1ccc(-c2noc([C@@H]3CCC[N@H+]3CCc3ccccn3)n2)cc1 ZINC000077379634 563510392 /nfs/dbraw/zinc/51/03/92/563510392.db2.gz BUSVBDUUBORULJ-KRWDZBQOSA-N 1 0 320.396 3.511 50 0 DHAARO Cc1nc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)co1 ZINC000077485348 563510822 /nfs/dbraw/zinc/51/08/22/563510822.db2.gz FCSPGUWHFVAMBQ-MRXNPFEDSA-N 1 0 322.412 3.753 50 0 DHAARO COCCC[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000077460013 563511113 /nfs/dbraw/zinc/51/11/13/563511113.db2.gz DBIYYNAMCIPKTQ-OAHLLOKOSA-N 1 0 318.436 3.956 50 0 DHAARO COc1ccc([C@H]([NH2+][C@H]2C=CCCC2)C2CCOCC2)cc1 ZINC000097230810 563514470 /nfs/dbraw/zinc/51/44/70/563514470.db2.gz USFZEQPIOOKLGJ-HKUYNNGSSA-N 1 0 301.430 3.861 50 0 DHAARO C[C@@H](c1ccc(-c2cnc3n[nH]nc3c2)cc1)[NH+]1CCCCC1 ZINC000096141276 563534017 /nfs/dbraw/zinc/53/40/17/563534017.db2.gz YTBBMGKJZXIGGW-ZDUSSCGKSA-N 1 0 307.401 3.567 50 0 DHAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(-c2ccccc2)c1 ZINC000097660346 563541016 /nfs/dbraw/zinc/54/10/16/563541016.db2.gz XFUGBCSXSXBGSI-HXUWFJFHSA-N 1 0 322.452 3.844 50 0 DHAARO Clc1ccc([C@H]2C=C(c3ccccc3)[NH+]=C3N=CNN32)cc1 ZINC000100461085 563550869 /nfs/dbraw/zinc/55/08/69/563550869.db2.gz QJXUSTBBAIGSOR-MRXNPFEDSA-N 1 0 308.772 3.640 50 0 DHAARO CCOc1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1O ZINC000000211975 563578621 /nfs/dbraw/zinc/57/86/21/563578621.db2.gz LJSUVYWGJOWVJF-SFHVURJKSA-N 1 0 308.381 3.507 50 0 biogenic DHAARO CCCOc1ccc(C[NH2+]CCOc2ccccn2)cc1Cl ZINC000113395726 563581151 /nfs/dbraw/zinc/58/11/51/563581151.db2.gz KYKCSHOWLNSOEB-UHFFFAOYSA-N 1 0 320.820 3.692 50 0 DHAARO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000128085951 563605428 /nfs/dbraw/zinc/60/54/28/563605428.db2.gz WWDJGBZWGWABDQ-JEWKTJRQSA-N 1 0 303.377 3.767 50 0 DHAARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000253432970 563613840 /nfs/dbraw/zinc/61/38/40/563613840.db2.gz QHWHYJMHKIVDSL-SJLPKXTDSA-N 1 0 313.445 3.512 50 0 DHAARO C[N@@H+]1CCCc2c(c3ccccc3n2CCc2ccccn2)C1 ZINC000075567391 563616976 /nfs/dbraw/zinc/61/69/76/563616976.db2.gz ICLZIBQRQRTNFJ-UHFFFAOYSA-N 1 0 305.425 3.657 50 0 DHAARO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000151859858 563623056 /nfs/dbraw/zinc/62/30/56/563623056.db2.gz YDAQVJHSSZTEDU-RYUDHWBXSA-N 1 0 300.368 3.629 50 0 DHAARO CCC[NH+]1CCC(NCc2cccc(C(F)(F)F)c2)CC1 ZINC000000279560 563629179 /nfs/dbraw/zinc/62/91/79/563629179.db2.gz RUSSTLDACLHLKG-UHFFFAOYSA-N 1 0 300.368 3.669 50 0 DHAARO Cc1cccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000177260744 563636665 /nfs/dbraw/zinc/63/66/65/563636665.db2.gz VPQCZXVACVJKDA-UHFFFAOYSA-N 1 0 323.484 3.529 50 0 DHAARO OC[C@H]1CC[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000101693320 563656859 /nfs/dbraw/zinc/65/68/59/563656859.db2.gz GMMCFLBYXLATLO-HLLBOEOZSA-N 1 0 301.430 3.574 50 0 DHAARO OC[C@H]1CC[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000101693212 563656947 /nfs/dbraw/zinc/65/69/47/563656947.db2.gz GMMCFLBYXLATLO-BFYDXBDKSA-N 1 0 301.430 3.574 50 0 DHAARO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000107363549 563673281 /nfs/dbraw/zinc/67/32/81/563673281.db2.gz DLGNDWTWKHHPGJ-CVEARBPZSA-N 1 0 320.502 3.548 50 0 DHAARO CC(C)=C[C@@H]1[C@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000048311013 563695655 /nfs/dbraw/zinc/69/56/55/563695655.db2.gz XOJFICJMISYQQV-HUUCEWRRSA-N 1 0 306.494 3.650 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3CCC3)cc2)C1 ZINC000048310574 563695759 /nfs/dbraw/zinc/69/57/59/563695759.db2.gz QQEHWZNRRHTHJN-IYBDPMFKSA-N 1 0 314.473 3.581 50 0 DHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1 ZINC000048333589 563696375 /nfs/dbraw/zinc/69/63/75/563696375.db2.gz XEXRANFHEIQQDO-JKSUJKDBSA-N 1 0 322.518 3.794 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C(C)(C)C)C1 ZINC000048344971 563697131 /nfs/dbraw/zinc/69/71/31/563697131.db2.gz OUXGLXZPBCAJKI-HOTGVXAUSA-N 1 0 316.489 3.827 50 0 DHAARO Cc1cc(C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)ccc1F ZINC000215126678 563704121 /nfs/dbraw/zinc/70/41/21/563704121.db2.gz XZLKAJHXLQYTTF-SFHVURJKSA-N 1 0 314.404 3.710 50 0 DHAARO c1cc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000215193136 563704415 /nfs/dbraw/zinc/70/44/15/563704415.db2.gz KCABXSLLNMJOLW-CQSZACIVSA-N 1 0 316.474 3.903 50 0 DHAARO Cn1ccc2ccc(C[N@@H+]3CCCC[C@@H]3CCn3cccn3)cc21 ZINC000215443786 563705310 /nfs/dbraw/zinc/70/53/10/563705310.db2.gz YYUYPQVWNJTVSC-LJQANCHMSA-N 1 0 322.456 3.820 50 0 DHAARO Cc1cc(C[NH+]2CCC(c3nc4c(cccc4C)[nH]3)CC2)on1 ZINC000215433464 563705366 /nfs/dbraw/zinc/70/53/66/563705366.db2.gz FNJHBBFEWZLZLU-UHFFFAOYSA-N 1 0 310.401 3.547 50 0 DHAARO CCC[N@@H+](Cc1cnc(C2CCCCC2)nc1)C[C@@H]1CCCO1 ZINC000216163865 563708364 /nfs/dbraw/zinc/70/83/64/563708364.db2.gz LDVRUQYKSXPURL-SFHVURJKSA-N 1 0 317.477 3.915 50 0 DHAARO Clc1ccc(CN(Cc2ccccn2)C[C@H]2CCCO2)o1 ZINC000216336295 563708773 /nfs/dbraw/zinc/70/87/73/563708773.db2.gz VVWNXSBMDVGITP-CQSZACIVSA-N 1 0 306.793 3.509 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@H](C)c2ccccc2)c2ccccc12 ZINC000000811133 563719270 /nfs/dbraw/zinc/71/92/70/563719270.db2.gz RJMNRFYYYWPFQK-VQIMIIECSA-N 1 0 322.452 3.970 50 0 DHAARO Cc1nc2cc(NC(=O)CCCCCn3cccc3)ccc2[nH]1 ZINC000604419388 563719319 /nfs/dbraw/zinc/71/93/19/563719319.db2.gz HRVULHUNRSXLBX-UHFFFAOYSA-N 1 0 310.401 3.872 50 0 DHAARO Cc1c2ccccc2oc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000032781259 563723412 /nfs/dbraw/zinc/72/34/12/563723412.db2.gz VFLNEUICCIOSCQ-KRWDZBQOSA-N 1 0 322.408 3.774 50 0 DHAARO CSc1cccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000225324122 563752113 /nfs/dbraw/zinc/75/21/13/563752113.db2.gz GKUWGBVGRVGMMB-IBGZPJMESA-N 1 0 312.482 3.897 50 0 DHAARO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000225409852 563754135 /nfs/dbraw/zinc/75/41/35/563754135.db2.gz MFLLXXFLSLZGLP-INIZCTEOSA-N 1 0 304.482 3.795 50 0 DHAARO CC[C@H](C(=O)N1CCC[C@H](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000225802360 563764374 /nfs/dbraw/zinc/76/43/74/563764374.db2.gz FNQHQBXDKHTKCX-FUHWJXTLSA-N 1 0 302.462 3.546 50 0 DHAARO FCCn1ncnc1C[N@@H+]1CCCCC[C@H]1C1CCCCC1 ZINC000241446967 563777278 /nfs/dbraw/zinc/77/72/78/563777278.db2.gz NQARMOUXXHETAR-INIZCTEOSA-N 1 0 308.445 3.573 50 0 DHAARO Oc1cccc(CC[C@H]2CCCC[N@@H+]2CCc2ccccn2)c1 ZINC000244811402 563780065 /nfs/dbraw/zinc/78/00/65/563780065.db2.gz SBZQFCGHEUPQEX-LJQANCHMSA-N 1 0 310.441 3.817 50 0 DHAARO Cc1ccccc1Cn1cc(C[NH2+]C(C)(C)CO)c2ccccc21 ZINC000248168035 563782769 /nfs/dbraw/zinc/78/27/69/563782769.db2.gz TVKOSBFQQSIIJY-UHFFFAOYSA-N 1 0 322.452 3.859 50 0 DHAARO Cc1ccc(CNCc2sccc2Cl)c(N2CCCC2)n1 ZINC000225612374 563794055 /nfs/dbraw/zinc/79/40/55/563794055.db2.gz OWHRMARNPHBYIR-UHFFFAOYSA-N 1 0 321.877 3.995 50 0 DHAARO c1csc(CC[NH2+]Cc2csc(-c3ccccn3)n2)c1 ZINC000035054537 563808283 /nfs/dbraw/zinc/80/82/83/563808283.db2.gz ASQMCUJNSQVWNH-UHFFFAOYSA-N 1 0 301.440 3.599 50 0 DHAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000012674121 563809242 /nfs/dbraw/zinc/80/92/42/563809242.db2.gz SUJAQCINCVJIIU-UGSOOPFHSA-N 1 0 312.388 3.894 50 0 DHAARO Cc1ccccc1[C@](O)(Cc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000001259763 563809817 /nfs/dbraw/zinc/80/98/17/563809817.db2.gz FPDWKSDUHWWBCL-FCHUYYIVSA-N 1 0 321.464 3.767 50 0 DHAARO OC(Cc1ccccc1)(Cc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000001258251 563810151 /nfs/dbraw/zinc/81/01/51/563810151.db2.gz KUXOALQEVYJOAF-NRFANRHFSA-N 1 0 321.464 3.545 50 0 DHAARO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)C1CCCCCCC1 ZINC000083857656 563813740 /nfs/dbraw/zinc/81/37/40/563813740.db2.gz BXQXARXSGZSROS-UHFFFAOYSA-N 1 0 309.841 3.718 50 0 DHAARO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccccn1)c1cccs1 ZINC000084535721 563827401 /nfs/dbraw/zinc/82/74/01/563827401.db2.gz XSLAKBUJIXDNHQ-SFHVURJKSA-N 1 0 324.449 3.879 50 0 DHAARO Cc1cc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)ccc1Cl ZINC000001469932 563838255 /nfs/dbraw/zinc/83/82/55/563838255.db2.gz COZCCBGXWRWDCY-ZBFHGGJFSA-N 1 0 319.832 3.739 50 0 DHAARO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H](C)c4cnccn4)C3)nc2c1 ZINC000248615436 563844855 /nfs/dbraw/zinc/84/48/55/563844855.db2.gz KBESNSDOKGJHPN-HUUCEWRRSA-N 1 0 321.428 3.602 50 0 DHAARO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000121355764 563856028 /nfs/dbraw/zinc/85/60/28/563856028.db2.gz LTEQVLZRLQSGED-CYBMUJFWSA-N 1 0 317.383 3.679 50 0 DHAARO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000121355614 563856038 /nfs/dbraw/zinc/85/60/38/563856038.db2.gz LTEQVLZRLQSGED-ZDUSSCGKSA-N 1 0 317.383 3.679 50 0 DHAARO CC(C)CC[NH+]1CCC(CNC(=O)CCC2CCCC2)CC1 ZINC000075106153 563859917 /nfs/dbraw/zinc/85/99/17/563859917.db2.gz DPAKXDUMVBWGKV-UHFFFAOYSA-N 1 0 308.510 3.831 50 0 DHAARO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)CCS2 ZINC000248849196 563870902 /nfs/dbraw/zinc/87/09/02/563870902.db2.gz PQWJKURQAPWBOT-ZWUHOBOKSA-N 1 0 307.459 3.778 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1)c1cnccn1 ZINC000090602917 563871622 /nfs/dbraw/zinc/87/16/22/563871622.db2.gz HPDNWOPSOCAKNI-WDYCEAGBSA-N 1 0 311.429 3.655 50 0 DHAARO Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1C ZINC000241126054 563880423 /nfs/dbraw/zinc/88/04/23/563880423.db2.gz JJDTVWSSVQVCEN-CVEARBPZSA-N 1 0 303.450 3.688 50 0 DHAARO CC(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000241588109 563880748 /nfs/dbraw/zinc/88/07/48/563880748.db2.gz OZRVVVJFFFLTPJ-KDOFPFPSSA-N 1 0 306.425 3.513 50 0 DHAARO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036095245 563893052 /nfs/dbraw/zinc/89/30/52/563893052.db2.gz MPCZEEFOLWCWEH-IBGZPJMESA-N 1 0 313.441 3.511 50 0 DHAARO CCCCC[C@H](C)[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000006940268 563900115 /nfs/dbraw/zinc/90/01/15/563900115.db2.gz LFWAWRNAGYWOIA-GOEBONIOSA-N 1 0 313.869 3.776 50 0 DHAARO C[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccc2c(c1)CCCC2 ZINC000007339559 563905349 /nfs/dbraw/zinc/90/53/49/563905349.db2.gz JZUWDUVBWPEOBN-MRXNPFEDSA-N 1 0 314.473 3.619 50 0 DHAARO Cc1ccc(OC[C@H](O)C[NH2+]C2CCCC2)c(C(C)(C)C)c1 ZINC000003105363 563905889 /nfs/dbraw/zinc/90/58/89/563905889.db2.gz ZQAFYIPTBRQAKV-MRXNPFEDSA-N 1 0 305.462 3.564 50 0 DHAARO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000170591397 563906643 /nfs/dbraw/zinc/90/66/43/563906643.db2.gz HCXJQDCEPZSZKN-CALCHBBNSA-N 1 0 322.493 3.756 50 0 DHAARO CCc1oc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1C ZINC000170597964 563907075 /nfs/dbraw/zinc/90/70/75/563907075.db2.gz YCFNTHBOPWBBCS-KBXCAEBGSA-N 1 0 314.429 3.572 50 0 DHAARO Cc1ccc(N2CCC[N@H+](CCCc3ccc(C)nc3)CC2)cc1 ZINC000170599999 563907384 /nfs/dbraw/zinc/90/73/84/563907384.db2.gz YJWHYBCIITVIIF-UHFFFAOYSA-N 1 0 323.484 3.843 50 0 DHAARO CN(C)c1noc(C2CC[NH+](CC3CCC(C)(C)CC3)CC2)n1 ZINC000170608688 563907655 /nfs/dbraw/zinc/90/76/55/563907655.db2.gz LOUCPJVJYWPJEN-UHFFFAOYSA-N 1 0 320.481 3.531 50 0 DHAARO Cc1c(Cl)cccc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000007526607 563908153 /nfs/dbraw/zinc/90/81/53/563908153.db2.gz RURNEPIKOWLJGC-UHFFFAOYSA-N 1 0 313.898 3.523 50 0 DHAARO C[C@@H](c1ccccc1F)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000170621409 563908558 /nfs/dbraw/zinc/90/85/58/563908558.db2.gz RBYVKULDBPYXQI-KSSFIOAISA-N 1 0 314.404 3.825 50 0 DHAARO Cc1cnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000010029994 563909222 /nfs/dbraw/zinc/90/92/22/563909222.db2.gz VLOLVHFYQJCBLC-UHFFFAOYSA-N 1 0 315.442 3.690 50 0 DHAARO CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000076016703 563911691 /nfs/dbraw/zinc/91/16/91/563911691.db2.gz JDXJURDSNSODOB-SFHVURJKSA-N 1 0 321.367 3.575 50 0 DHAARO CC[C@@H](c1ccc(Br)cc1)[N@H+](C)Cc1cnccn1 ZINC000089947794 563912488 /nfs/dbraw/zinc/91/24/88/563912488.db2.gz UNJJQHPFGLAOPV-HNNXBMFYSA-N 1 0 320.234 3.822 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000252537069 563917006 /nfs/dbraw/zinc/91/70/06/563917006.db2.gz KFJGJXHOJQENIV-ZDUSSCGKSA-N 1 0 314.433 3.582 50 0 DHAARO CC[NH+](CC)Cc1cncc(-c2ccc(OC)c(OC)c2)c1 ZINC000037553873 563918684 /nfs/dbraw/zinc/91/86/84/563918684.db2.gz KJXKOFWTEIYQSK-UHFFFAOYSA-N 1 0 300.402 3.608 50 0 DHAARO Cc1nc(NC(=O)C[N@@H+](C)CC(C)C)sc1-c1ccccc1 ZINC000065961225 563918744 /nfs/dbraw/zinc/91/87/44/563918744.db2.gz NUFZTXCTBJFHMD-UHFFFAOYSA-N 1 0 317.458 3.645 50 0 DHAARO Oc1cccc(NC2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000195576030 563919750 /nfs/dbraw/zinc/91/97/50/563919750.db2.gz JUOQTEFLAGHTAG-UHFFFAOYSA-N 1 0 300.377 3.608 50 0 DHAARO CC(=O)NC1CCC([NH2+][C@@H]2C[C@H]3CCCc4cccc2c43)CC1 ZINC000195565179 563919770 /nfs/dbraw/zinc/91/97/70/563919770.db2.gz QCSOGBZFFMJRGN-RMFNQSEZSA-N 1 0 312.457 3.588 50 0 DHAARO CC(=O)Nc1cc(NC2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000195557889 563919861 /nfs/dbraw/zinc/91/98/61/563919861.db2.gz NWIPITYMIMPUMF-UHFFFAOYSA-N 1 0 309.841 3.583 50 0 DHAARO O=C(c1ccccc1)[C@@H]1CCC[C@H](C[C@H](O)c2ccccc2)[NH2+]1 ZINC000025559163 563923773 /nfs/dbraw/zinc/92/37/73/563923773.db2.gz CNWKJIFYKGLTLI-QYZOEREBSA-N 1 0 309.409 3.504 50 0 DHAARO COCCCC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000253430634 563925347 /nfs/dbraw/zinc/92/53/47/563925347.db2.gz ROSVMFRKEXQQJA-OAHLLOKOSA-N 1 0 307.825 3.780 50 0 DHAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000225443926 563928111 /nfs/dbraw/zinc/92/81/11/563928111.db2.gz SDJLWMHAPFDCMV-PXAZEXFGSA-N 1 0 318.367 3.574 50 0 DHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)cc1 ZINC000007945631 563928871 /nfs/dbraw/zinc/92/88/71/563928871.db2.gz IQISYRDJPLKSRP-UHFFFAOYSA-N 1 0 310.441 3.767 50 0 DHAARO COc1ccc([C@@H](O)C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000095353001 563931052 /nfs/dbraw/zinc/93/10/52/563931052.db2.gz CJOLNLGSLHEWGN-RDJZCZTQSA-N 1 0 303.427 3.531 50 0 DHAARO CC(C)Oc1ccc(CCC[NH2+]CC2(O)CCCCC2)cc1 ZINC000095373420 563931148 /nfs/dbraw/zinc/93/11/48/563931148.db2.gz BXIVLJKFPGFOOT-UHFFFAOYSA-N 1 0 305.462 3.691 50 0 DHAARO Cc1nc(CC[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)cs1 ZINC000095419980 563931445 /nfs/dbraw/zinc/93/14/45/563931445.db2.gz BTFPQLMATXKJPK-GFCCVEGCSA-N 1 0 318.442 3.506 50 0 DHAARO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000095459060 563931501 /nfs/dbraw/zinc/93/15/01/563931501.db2.gz ULAXSTQSVWGPCE-IFXJQAMLSA-N 1 0 315.413 3.570 50 0 DHAARO Cc1ncn(C[C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccccn2)c1C ZINC000095427062 563931528 /nfs/dbraw/zinc/93/15/28/563931528.db2.gz GMKJMPDXEJKZPA-QRWLVFNGSA-N 1 0 320.440 3.663 50 0 DHAARO CC(C)(C)OC(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC000095982617 563933926 /nfs/dbraw/zinc/93/39/26/563933926.db2.gz BWHMKZXAXINQAA-UHFFFAOYSA-N 1 0 310.482 3.946 50 0 DHAARO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000096012959 563934823 /nfs/dbraw/zinc/93/48/23/563934823.db2.gz NAODRTDKUWYMRL-NJAFHUGGSA-N 1 0 320.521 3.924 50 0 DHAARO COC(=O)c1cccc(CC(C)(C)[N@H+](C)Cc2ccccc2)c1 ZINC000096027734 563935033 /nfs/dbraw/zinc/93/50/33/563935033.db2.gz BKZOPPCFRZVATC-UHFFFAOYSA-N 1 0 311.425 3.926 50 0 DHAARO COc1ccc(C(=O)C(C)(C)[NH2+][C@@H](C)Cc2ccccc2)cc1 ZINC000096027149 563935080 /nfs/dbraw/zinc/93/50/80/563935080.db2.gz MSBQBSYIMYLSRS-HNNXBMFYSA-N 1 0 311.425 3.877 50 0 DHAARO COC(=O)c1cccc([C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000096027751 563935128 /nfs/dbraw/zinc/93/51/28/563935128.db2.gz OORWVBYZVRWGNG-FQEVSTJZSA-N 1 0 309.409 3.637 50 0 DHAARO COC(=O)c1cccc(CC[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000096027695 563935149 /nfs/dbraw/zinc/93/51/49/563935149.db2.gz KRWAOXUOXCDBLN-UHFFFAOYSA-N 1 0 317.816 3.801 50 0 DHAARO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Cl)cc(Cl)c1 ZINC000096476492 563937250 /nfs/dbraw/zinc/93/72/50/563937250.db2.gz OXGGJSPHPRKOHD-SNVBAGLBSA-N 1 0 323.223 3.943 50 0 DHAARO CS[C@@H]1CC[C@@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000096494370 563937426 /nfs/dbraw/zinc/93/74/26/563937426.db2.gz KZVRWVVVBBOMBH-VXGBXAGGSA-N 1 0 307.488 3.647 50 0 DHAARO C[N@H+](CC(=O)Nc1cccc(F)c1)[C@@H]1CCCc2ccccc21 ZINC000008126908 563946882 /nfs/dbraw/zinc/94/68/82/563946882.db2.gz NTZIHQKVYFVHCK-GOSISDBHSA-N 1 0 312.388 3.774 50 0 DHAARO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000008307325 563947665 /nfs/dbraw/zinc/94/76/65/563947665.db2.gz CQUXPSSVNJRRNB-OBJOEFQTSA-N 1 0 308.853 3.953 50 0 DHAARO CCOc1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008578795 563949280 /nfs/dbraw/zinc/94/92/80/563949280.db2.gz TXKQEAIRLLOGIP-UHFFFAOYSA-N 1 0 300.402 3.633 50 0 DHAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@H+]1CCCC[C@H]1C ZINC000008717519 563950113 /nfs/dbraw/zinc/95/01/13/563950113.db2.gz VDIXKLWYADCFJZ-CYBMUJFWSA-N 1 0 313.445 3.689 50 0 DHAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717513 563950268 /nfs/dbraw/zinc/95/02/68/563950268.db2.gz ZRRXMZBIGLNSGR-UHFFFAOYSA-N 1 0 315.461 3.937 50 0 DHAARO Cc1ccc(Cl)c(OCCOCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000008750415 563950535 /nfs/dbraw/zinc/95/05/35/563950535.db2.gz BAZFJNLCUTZDGD-HNNXBMFYSA-N 1 0 311.853 3.776 50 0 DHAARO Cc1ccc2c(c1)[C@@H](c1ccccc1)[C@H]([NH+]1CCCCC1)C(=O)N2 ZINC000009186564 563953937 /nfs/dbraw/zinc/95/39/37/563953937.db2.gz QEGHIXFHUNLHMD-UXHICEINSA-N 1 0 320.436 3.934 50 0 DHAARO CCC[C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000069703818 563954353 /nfs/dbraw/zinc/95/43/53/563954353.db2.gz IUXLYECLRJBZAW-LSDHHAIUSA-N 1 0 308.491 3.513 50 0 DHAARO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C)o3)ccc2NC1=O ZINC000174138682 563956400 /nfs/dbraw/zinc/95/64/00/563956400.db2.gz RADOCNDIDVTTEV-WBMJQRKESA-N 1 0 314.385 3.548 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000009503629 563956458 /nfs/dbraw/zinc/95/64/58/563956458.db2.gz ZQDXQMUNGFCTPD-INIZCTEOSA-N 1 0 320.795 3.512 50 0 DHAARO c1ccc2oc(C3CC[NH+](CCc4ccncc4)CC3)nc2c1 ZINC000009515024 563956473 /nfs/dbraw/zinc/95/64/73/563956473.db2.gz MCTUKZZCCYNNOV-UHFFFAOYSA-N 1 0 307.397 3.645 50 0 DHAARO COc1ccc(Cl)cc1CSC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000009722572 563957619 /nfs/dbraw/zinc/95/76/19/563957619.db2.gz ODDKGRZCRWWFJM-BETUJISGSA-N 1 0 310.850 3.852 50 0 DHAARO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000009912436 563958013 /nfs/dbraw/zinc/95/80/13/563958013.db2.gz BLJYNIAWZKUEJS-NEPJUHHUSA-N 1 0 314.351 3.764 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000010328206 563958514 /nfs/dbraw/zinc/95/85/14/563958514.db2.gz VBJZIFQVVPNNAX-FQEVSTJZSA-N 1 0 318.420 3.873 50 0 DHAARO Cn1cc([C@@H]2CCCN2Cc2csc(C(C)(C)C)n2)cn1 ZINC000071797212 563958525 /nfs/dbraw/zinc/95/85/25/563958525.db2.gz SPOUTHROMIIPFC-AWEZNQCLSA-N 1 0 304.463 3.511 50 0 DHAARO c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000042907891 563958970 /nfs/dbraw/zinc/95/89/70/563958970.db2.gz HUPNTWQXKNMIBS-GOSISDBHSA-N 1 0 304.397 3.639 50 0 DHAARO CC[C@H]([NH2+]C1CCN(c2ccccc2F)CC1)c1ccccn1 ZINC000067447005 568413454 /nfs/dbraw/zinc/41/34/54/568413454.db2.gz BCAIAWPBBIXWRN-KRWDZBQOSA-N 1 0 313.420 3.930 50 0 DHAARO COC(=O)c1oc([C@@H](C)[N@H+](C)Cc2ccc(C)cc2)cc1C ZINC000089632265 568420289 /nfs/dbraw/zinc/42/02/89/568420289.db2.gz GRTWOOLMVFTKCJ-CQSZACIVSA-N 1 0 301.386 3.876 50 0 DHAARO Brc1ccccc1OCC[NH2+]Cc1ccccc1 ZINC000002822274 1037221749 /nfs/dbraw/zinc/22/17/49/1037221749.db2.gz WVWRSQSFKCTBSW-UHFFFAOYSA-N 1 0 306.203 3.618 50 0 DHAARO CC(C)c1ncc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)cn1 ZINC000952974916 1032676320 /nfs/dbraw/zinc/67/63/20/1032676320.db2.gz QUSBVBMYMFGWDJ-OAHLLOKOSA-N 1 0 321.428 3.637 50 0 DHAARO Cc1ccccc1N1CCC([N@H+](C)CC[C@@H]2CCCCO2)CC1 ZINC000952977329 1032677718 /nfs/dbraw/zinc/67/77/18/1032677718.db2.gz MKTMGBXINCYNCG-IBGZPJMESA-N 1 0 316.489 3.855 50 0 DHAARO CCSc1ccccc1NC(=O)CCC1CC[NH+](C)CC1 ZINC000952992329 1032679077 /nfs/dbraw/zinc/67/90/77/1032679077.db2.gz ZUTRTWSBATZVKC-UHFFFAOYSA-N 1 0 306.475 3.859 50 0 DHAARO CC[C@H](Cn1ccnc1)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000952976807 1032680157 /nfs/dbraw/zinc/68/01/57/1032680157.db2.gz IERSHQLVJOBFED-MRXNPFEDSA-N 1 0 309.413 3.613 50 0 DHAARO O=C(c1ccccc1)c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000003003243 1017919302 /nfs/dbraw/zinc/91/93/02/1017919302.db2.gz NXSKRFNIUQVYOP-UHFFFAOYSA-N 1 0 309.409 3.782 50 0 DHAARO Cc1noc(C)c1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837714 1018285422 /nfs/dbraw/zinc/28/54/22/1018285422.db2.gz QUXOBKDBPJIGPS-UHFFFAOYSA-N 1 0 310.401 3.547 50 0 DHAARO c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000011816820 1019258283 /nfs/dbraw/zinc/25/82/83/1019258283.db2.gz RSHSTOPJEORJTB-INIZCTEOSA-N 1 0 324.453 3.768 50 0 DHAARO Clc1cccnc1OC1CCC([NH2+]Cc2cccnc2)CC1 ZINC000186514874 1019770338 /nfs/dbraw/zinc/77/03/38/1019770338.db2.gz LLRHJYBJVRUERV-UHFFFAOYSA-N 1 0 317.820 3.610 50 0 DHAARO C[C@@H](COc1ccccc1)[NH2+]CC1(N2CCCCC2)CCCC1 ZINC000821376743 1020249565 /nfs/dbraw/zinc/24/95/65/1020249565.db2.gz ANGFXEMTBVNNAR-SFHVURJKSA-N 1 0 316.489 3.842 50 0 DHAARO CC(C)Cc1ccc(C[NH+]2CCN(c3cccnc3)CC2)s1 ZINC000821459857 1020251892 /nfs/dbraw/zinc/25/18/92/1020251892.db2.gz LKYPUGMGWXRIIN-UHFFFAOYSA-N 1 0 315.486 3.664 50 0 DHAARO COc1ccccc1N1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000012383497 1020395952 /nfs/dbraw/zinc/39/59/52/1020395952.db2.gz GWYZUWALQDLSLF-QGZVFWFLSA-N 1 0 310.441 3.621 50 0 DHAARO O=C(NCc1cccs1)C1([NH+]2CCCCC2)CCCCC1 ZINC000827661137 1020781732 /nfs/dbraw/zinc/78/17/32/1020781732.db2.gz HXHUVZWABJEAFT-UHFFFAOYSA-N 1 0 306.475 3.553 50 0 DHAARO Fc1ccc(F)c(-c2c[nH]nc2[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000020209037 1021792411 /nfs/dbraw/zinc/79/24/11/1021792411.db2.gz BPTCVUFDBWIKQL-ZDUSSCGKSA-N 1 0 317.383 3.944 50 0 DHAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)CCC2CCCC2)CC1 ZINC000581808814 1021850600 /nfs/dbraw/zinc/85/06/00/1021850600.db2.gz PIFKSIGIDYTGJS-UHFFFAOYSA-N 1 0 303.450 3.634 50 0 DHAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581807774 1021850636 /nfs/dbraw/zinc/85/06/36/1021850636.db2.gz NTSSLFHSVDELRC-QGZVFWFLSA-N 1 0 315.461 3.813 50 0 DHAARO Cc1cnc([C@H]2CCCO2)n1CC1CC[NH+](C2CCCC2)CC1 ZINC000257193733 1022264605 /nfs/dbraw/zinc/26/46/05/1022264605.db2.gz ZKFNAPCETOMUFK-GOSISDBHSA-N 1 0 317.477 3.698 50 0 DHAARO C[C@@H](C(=O)N(CC[NH3+])Cc1ccccc1)c1cc2ccccc2o1 ZINC000184178107 1022759330 /nfs/dbraw/zinc/75/93/30/1022759330.db2.gz OBFLCQZDGMPXTF-OAHLLOKOSA-N 1 0 322.408 3.524 50 0 DHAARO CC1(C)CC[C@@H](C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)O1 ZINC000184665977 1023057992 /nfs/dbraw/zinc/05/79/92/1023057992.db2.gz UOCJQLOZKBOMES-HNNXBMFYSA-N 1 0 313.445 3.700 50 0 DHAARO FC(F)(F)c1ncc(-c2ccccc2)c(C2CC[NH2+]CC2)n1 ZINC000299784434 1023303434 /nfs/dbraw/zinc/30/34/34/1023303434.db2.gz IPPPQRRHOLAIKU-UHFFFAOYSA-N 1 0 307.319 3.629 50 0 DHAARO CCOc1cccc2cc([C@H](C)[NH2+]C3CCN(OC)CC3)oc21 ZINC000421877409 1023480950 /nfs/dbraw/zinc/48/09/50/1023480950.db2.gz LSYWBPUCBFNSAK-ZDUSSCGKSA-N 1 0 318.417 3.508 50 0 DHAARO CN(C(=O)CN1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000046089162 1023662878 /nfs/dbraw/zinc/66/28/78/1023662878.db2.gz YGIPZEAJZSYABL-MRXNPFEDSA-N 1 0 300.427 3.548 50 0 DHAARO CCSc1ncc(C[N@H+](C)Cc2cccc3ncccc23)cn1 ZINC000216035193 1024284834 /nfs/dbraw/zinc/28/48/34/1024284834.db2.gz FNMURLNBDUMGPO-UHFFFAOYSA-N 1 0 324.453 3.769 50 0 DHAARO Cc1cc(CN(C)Cc2cc(C[NH+]3CCCCC3)cs2)on1 ZINC000215961166 1024527613 /nfs/dbraw/zinc/52/76/13/1024527613.db2.gz FGUXCZJJIIMMJR-UHFFFAOYSA-N 1 0 319.474 3.662 50 0 DHAARO [NH3+]Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000169795011 1024685154 /nfs/dbraw/zinc/68/51/54/1024685154.db2.gz PUKFUTRDKSJPJQ-UHFFFAOYSA-N 1 0 307.441 3.799 50 0 DHAARO CCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cccs1 ZINC000888104543 1024765007 /nfs/dbraw/zinc/76/50/07/1024765007.db2.gz BIISFUYSILSYGQ-CVEARBPZSA-N 1 0 320.502 3.865 50 0 DHAARO COc1ccc(C)cc1CC[NH2+]Cc1ccccc1OC(F)F ZINC000025639009 1025226114 /nfs/dbraw/zinc/22/61/14/1025226114.db2.gz FMMYUSXDZZHICH-UHFFFAOYSA-N 1 0 321.367 3.937 50 0 DHAARO C[C@H]1OP2(C[NH+]3CCCCCC3)(O[C@@H]1C)O[C@H](C)[C@H](C)O2 ZINC000005528446 1025245219 /nfs/dbraw/zinc/24/52/19/1025245219.db2.gz TXBMKILWBITVSU-TUVASFSCSA-N 1 0 319.382 3.681 50 0 DHAARO Cc1cc(Cl)cc(C)c1OCCOCC[NH+]1CCCCC1 ZINC000005535241 1025247283 /nfs/dbraw/zinc/24/72/83/1025247283.db2.gz UEPNFOHJTVIKHK-UHFFFAOYSA-N 1 0 311.853 3.838 50 0 DHAARO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)[C@@H]1C[C@H]1c1cccs1 ZINC000841753470 1027209265 /nfs/dbraw/zinc/20/92/65/1027209265.db2.gz CWBNMOJKOTVFJJ-YYWXWVFPSA-N 1 0 307.484 3.799 50 0 DHAARO CC(C)c1noc(CC[NH2+][C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000089577986 1037159374 /nfs/dbraw/zinc/15/93/74/1037159374.db2.gz YZYRNKDUFYNZQX-JTQLQIEISA-N 1 0 311.788 3.879 50 0 DHAARO c1ccc(CCN2CCC([NH2+]CC3CCCCC3)CC2)cc1 ZINC000002498864 1037165765 /nfs/dbraw/zinc/16/57/65/1037165765.db2.gz QYISFDORTXWWAR-UHFFFAOYSA-N 1 0 300.490 3.863 50 0 DHAARO Cc1ccccc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000170600401 1041337296 /nfs/dbraw/zinc/33/72/96/1041337296.db2.gz KNVIRASOVJZWID-JLHYYAGUSA-N 1 0 324.424 3.587 50 0 DHAARO COc1ccc([C@@H]2CC[N@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000092783592 185340832 /nfs/dbraw/zinc/34/08/32/185340832.db2.gz YXKUKKPJNCUFOV-QGZVFWFLSA-N 1 0 324.424 3.643 50 0 DHAARO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@@H](C)c1ccccc1 ZINC000095406059 185355923 /nfs/dbraw/zinc/35/59/23/185355923.db2.gz BMORSXNJUVYLDN-HUUCEWRRSA-N 1 0 306.409 3.810 50 0 DHAARO COc1cccc(C2([NH2+]Cc3cccc(-n4cccn4)c3)CC2)c1 ZINC000095415563 185358769 /nfs/dbraw/zinc/35/87/69/185358769.db2.gz NDBBANLRGWXNLH-UHFFFAOYSA-N 1 0 319.408 3.660 50 0 DHAARO Cc1c([C@H](C)[NH2+]CCc2ccccn2)cnn1-c1ccc(F)cc1 ZINC000095419170 185359833 /nfs/dbraw/zinc/35/98/33/185359833.db2.gz YDQHERKJRIYOAH-AWEZNQCLSA-N 1 0 324.403 3.608 50 0 DHAARO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(SC(F)F)cc1 ZINC000095420642 185360002 /nfs/dbraw/zinc/36/00/02/185360002.db2.gz UOSMUIZPOYMBKM-LLVKDONJSA-N 1 0 311.401 3.628 50 0 DHAARO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000095423913 185361276 /nfs/dbraw/zinc/36/12/76/185361276.db2.gz KPNPBGLPBDAABH-ZBFHGGJFSA-N 1 0 318.486 3.506 50 0 DHAARO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cncn3)c2)cc1 ZINC000095423554 185361326 /nfs/dbraw/zinc/36/13/26/185361326.db2.gz SVUWTKHIJQWCLK-LSDHHAIUSA-N 1 0 322.412 3.688 50 0 DHAARO C[C@@H](CCn1cncn1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000095421074 185360578 /nfs/dbraw/zinc/36/05/78/185360578.db2.gz IRRGBWPQHMTZHE-FZMZJTMJSA-N 1 0 322.865 3.537 50 0 DHAARO CC(C)c1nc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cs1 ZINC000095437457 185365514 /nfs/dbraw/zinc/36/55/14/185365514.db2.gz IPPWJIGSPWLOAK-KFWWJZLASA-N 1 0 306.475 3.704 50 0 DHAARO CC(C)C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)C(C)(C)C ZINC000095462759 185371292 /nfs/dbraw/zinc/37/12/92/185371292.db2.gz ZELPLMKZFHTVKX-KRWDZBQOSA-N 1 0 320.477 3.935 50 0 DHAARO C[C@H]([NH2+]CC1(O)CCSCC1)c1ccc(-c2ccccc2)o1 ZINC000097017000 185397562 /nfs/dbraw/zinc/39/75/62/185397562.db2.gz HTWPGQWWNUWNOE-AWEZNQCLSA-N 1 0 317.454 3.855 50 0 DHAARO CN(C)c1nc2cc(F)ccc2cc1C[NH2+]CCc1ccccc1 ZINC000299755415 529804489 /nfs/dbraw/zinc/80/44/89/529804489.db2.gz CFJLCJNHCZCMLZ-UHFFFAOYSA-N 1 0 323.415 3.772 50 0 DHAARO OC[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccn(Cc2ccccc2)c1 ZINC000126638113 185880514 /nfs/dbraw/zinc/88/05/14/185880514.db2.gz KZPDRXAOTNZSII-VQTJNVASSA-N 1 0 312.457 3.567 50 0 DHAARO COC(C)(C)Cn1ccnc1-c1cccc([C@H](C)[NH+](C)C)c1 ZINC000071746749 191019052 /nfs/dbraw/zinc/01/90/52/191019052.db2.gz PXZNOMIOLHAABJ-AWEZNQCLSA-N 1 0 301.434 3.598 50 0 DHAARO CC(C)[C@@H]1CN(c2cnc3ccccc3n2)CCC[N@@H+]1CC1CC1 ZINC000071760445 191026017 /nfs/dbraw/zinc/02/60/17/191026017.db2.gz UBNQHWFKLNNGCV-IBGZPJMESA-N 1 0 324.472 3.577 50 0 DHAARO CC[C@H](CNc1cc(-c2ccccc2)nc2ccnn21)[N@H+](C)CC ZINC000072138878 191047799 /nfs/dbraw/zinc/04/77/99/191047799.db2.gz ZRZVMMYKQZBBFA-MRXNPFEDSA-N 1 0 323.444 3.539 50 0 DHAARO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCOC(C)(C)C1 ZINC000072133129 191045392 /nfs/dbraw/zinc/04/53/92/191045392.db2.gz LYLREBBJNLDOTL-MRXNPFEDSA-N 1 0 313.445 3.509 50 0 DHAARO CC(C)=CCC[C@@H](C)C[NH+]1CCN(Cc2ncccc2C)CC1 ZINC000072158805 191060350 /nfs/dbraw/zinc/06/03/50/191060350.db2.gz CZQXSKMWNRXKJC-GOSISDBHSA-N 1 0 315.505 3.890 50 0 DHAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4cccnc4)CC3)nc21 ZINC000072165955 191065167 /nfs/dbraw/zinc/06/51/67/191065167.db2.gz VOXFMQLHDYEELK-UHFFFAOYSA-N 1 0 306.413 3.646 50 0 DHAARO COc1ccnc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)c1 ZINC000072174002 191069936 /nfs/dbraw/zinc/06/99/36/191069936.db2.gz VLEZOHVAXIAMJM-MRXNPFEDSA-N 1 0 312.413 3.538 50 0 DHAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000072304807 191116881 /nfs/dbraw/zinc/11/68/81/191116881.db2.gz GXKIBIGZTACJEW-HNNXBMFYSA-N 1 0 311.429 3.645 50 0 DHAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000072412456 191156156 /nfs/dbraw/zinc/15/61/56/191156156.db2.gz YFHMBOIGOQTBEA-HNNXBMFYSA-N 1 0 320.458 3.961 50 0 DHAARO Cc1nc[nH]c1C[NH+]1CCC(Sc2ccccc2C)CC1 ZINC000072426938 191161426 /nfs/dbraw/zinc/16/14/26/191161426.db2.gz SBXBCBAQXRTJMK-UHFFFAOYSA-N 1 0 301.459 3.783 50 0 DHAARO COc1cc2c(cc1C[NH+]1CCC(c3ccncc3)CC1)CCC2 ZINC000072463329 191173683 /nfs/dbraw/zinc/17/36/83/191173683.db2.gz YSMXWKBOIXDTTG-UHFFFAOYSA-N 1 0 322.452 3.959 50 0 DHAARO CCCOc1c(Br)cc(C[NH2+]CC)cc1OCC ZINC000002861459 180964210 /nfs/dbraw/zinc/96/42/10/180964210.db2.gz YEIHFQHLIUQLCH-UHFFFAOYSA-N 1 0 316.239 3.746 50 0 DHAARO CC(C)(C)[NH2+]CCOCCOc1cc(Cl)ccc1Cl ZINC000002981130 180973697 /nfs/dbraw/zinc/97/36/97/180973697.db2.gz WLLDJUNSKXJRPH-UHFFFAOYSA-N 1 0 306.233 3.777 50 0 DHAARO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCCC3)ccc21 ZINC000003454224 181022259 /nfs/dbraw/zinc/02/22/59/181022259.db2.gz MCTSETOWUWILFY-UHFFFAOYSA-N 1 0 321.424 3.849 50 0 DHAARO C[NH+](C)C1(CNC(=O)Cc2cccc3ccccc32)CCCCC1 ZINC000003411410 181016428 /nfs/dbraw/zinc/01/64/28/181016428.db2.gz GAWMESYCCRVEOK-UHFFFAOYSA-N 1 0 324.468 3.763 50 0 DHAARO C[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)[NH+]1CCCC1 ZINC000003454013 181022046 /nfs/dbraw/zinc/02/20/46/181022046.db2.gz PBXATMRCJGMAKB-OAHLLOKOSA-N 1 0 310.397 3.902 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000003893510 181052897 /nfs/dbraw/zinc/05/28/97/181052897.db2.gz BCFVDPZYAPIOHZ-WBVHZDCISA-N 1 0 305.462 3.598 50 0 DHAARO Cc1cc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)cc(C)c1Cl ZINC000003893518 181053814 /nfs/dbraw/zinc/05/38/14/181053814.db2.gz QHCAZSIDWTYHKC-LSDHHAIUSA-N 1 0 311.853 3.571 50 0 DHAARO CC[C@@H](C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000004028067 181064617 /nfs/dbraw/zinc/06/46/17/181064617.db2.gz CVYSRSDCXNYQOA-IPMKNSEASA-N 1 0 315.457 3.988 50 0 biogenic DHAARO CC(C)[C@]12CC[C@](C)(O1)[C@H](Oc1cccc(Cl)c1C[NH3+])C2 ZINC000004110222 181074657 /nfs/dbraw/zinc/07/46/57/181074657.db2.gz XDWGFIVVEJQCFN-IXDOHACOSA-N 1 0 309.837 3.914 50 0 DHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccco2)N3)C1 ZINC000004554033 181123693 /nfs/dbraw/zinc/12/36/93/181123693.db2.gz DPERDGXWKFXBOX-CQSZACIVSA-N 1 0 317.414 3.537 50 0 DHAARO CCCCOc1cccc(NC(=O)O[C@H]2C[NH+]3CCC2CC3)c1 ZINC000004566627 181125147 /nfs/dbraw/zinc/12/51/47/181125147.db2.gz JJUAGJJYEPVXBC-KRWDZBQOSA-N 1 0 318.417 3.508 50 0 DHAARO C[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004703428 181139602 /nfs/dbraw/zinc/13/96/02/181139602.db2.gz CMZYTSQXPPJIPO-AWEZNQCLSA-N 1 0 320.864 3.677 50 0 DHAARO COc1cccc(-c2c[nH+]c(NCc3ccccc3OC)n2C)c1 ZINC000004678394 181135275 /nfs/dbraw/zinc/13/52/75/181135275.db2.gz ZZFIUNPVMMPDRY-UHFFFAOYSA-N 1 0 323.396 3.716 50 0 DHAARO CC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000004722230 181142146 /nfs/dbraw/zinc/14/21/46/181142146.db2.gz COCZPHUFQFMKDL-INIZCTEOSA-N 1 0 302.462 3.606 50 0 DHAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000004745152 181146797 /nfs/dbraw/zinc/14/67/97/181146797.db2.gz XMXDCKONGLCRHL-IBGZPJMESA-N 1 0 314.473 3.610 50 0 DHAARO CC(C)(CO)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000004841509 181161226 /nfs/dbraw/zinc/16/12/26/181161226.db2.gz CIANFDUAXIGRKS-UHFFFAOYSA-N 1 0 324.218 3.570 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(Br)cc2)C1 ZINC000004906514 181171617 /nfs/dbraw/zinc/17/16/17/181171617.db2.gz ASINSSNRTKKCSK-CHWSQXEVSA-N 1 0 312.251 3.806 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(Br)cc2)C1 ZINC000004906510 181171846 /nfs/dbraw/zinc/17/18/46/181171846.db2.gz ASINSSNRTKKCSK-STQMWFEESA-N 1 0 312.251 3.806 50 0 DHAARO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000073652496 191336837 /nfs/dbraw/zinc/33/68/37/191336837.db2.gz UDCUFWXNFAVXPZ-MRXNPFEDSA-N 1 0 304.434 3.518 50 0 DHAARO COc1cc2c(cc1OC)C[N@H+](C[C@@H](C)c1ccccc1)CC2 ZINC000004988034 181184844 /nfs/dbraw/zinc/18/48/44/181184844.db2.gz KJZLJRUWEDNIIV-OAHLLOKOSA-N 1 0 311.425 3.866 50 0 DHAARO CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](O)C2)cc(C(C)(C)C)c1O ZINC000004990173 181185779 /nfs/dbraw/zinc/18/57/79/181185779.db2.gz FUQNVSQQCQUZOK-HNNXBMFYSA-N 1 0 319.489 3.944 50 0 DHAARO COc1ccc(Br)cc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004989253 181186105 /nfs/dbraw/zinc/18/61/05/181186105.db2.gz FZIRFTYTVDUSAZ-RYUDHWBXSA-N 1 0 312.251 3.936 50 0 DHAARO Cc1sc2cc(C(=O)NC(C)C)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487419 191478918 /nfs/dbraw/zinc/47/89/18/191478918.db2.gz UDRUOMMUKQCSAQ-UHFFFAOYSA-N 1 0 319.474 3.662 50 0 DHAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000005019778 181191614 /nfs/dbraw/zinc/19/16/14/181191614.db2.gz XVGXLEKSUXPQER-LBPRGKRZSA-N 1 0 304.217 3.661 50 0 DHAARO COc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(OC)c1O ZINC000005061143 181198949 /nfs/dbraw/zinc/19/89/49/181198949.db2.gz ALTQUELLKAAKGO-INIZCTEOSA-N 1 0 313.397 3.577 50 0 DHAARO O=C(NCC[NH+]1CCCCCC1)c1csc2c1CCCCC2 ZINC000005070441 181200631 /nfs/dbraw/zinc/20/06/31/181200631.db2.gz RHZLGOOCFCYTMX-UHFFFAOYSA-N 1 0 320.502 3.623 50 0 DHAARO CC(C)(CNC(=S)Nc1ccccc1)[NH2+]Cc1ccccc1 ZINC000005187929 181214818 /nfs/dbraw/zinc/21/48/18/181214818.db2.gz OAEWRDIZGLSJAH-UHFFFAOYSA-N 1 0 313.470 3.541 50 0 DHAARO C[C@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000005559755 181257388 /nfs/dbraw/zinc/25/73/88/181257388.db2.gz OMMABXQBKXLFFT-JXFKEZNVSA-N 1 0 321.420 3.930 50 0 DHAARO CC[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000236913660 202069066 /nfs/dbraw/zinc/06/90/66/202069066.db2.gz VTCYOYGSVAYASX-DLBZAZTESA-N 1 0 316.832 3.997 50 0 DHAARO C[C@@H](C[NH+]1CCC(N2CCCC2=O)CC1)c1cccc(Cl)c1 ZINC000187179453 200073052 /nfs/dbraw/zinc/07/30/52/200073052.db2.gz ASAVMGWYHDAVAO-AWEZNQCLSA-N 1 0 320.864 3.530 50 0 DHAARO CCCn1cc(C[NH2+]C[C@@H](O)c2ccccc2)c2ccccc21 ZINC000247985993 202709634 /nfs/dbraw/zinc/70/96/34/202709634.db2.gz ISWURTSBJOARJW-HXUWFJFHSA-N 1 0 308.425 3.875 50 0 DHAARO CCOc1c(OC)cccc1[C@@H](C[NH3+])c1c[nH]c2ccccc21 ZINC000006645708 181364664 /nfs/dbraw/zinc/36/46/64/181364664.db2.gz QOBRJZOCBYGGEH-OAHLLOKOSA-N 1 0 310.397 3.666 50 0 DHAARO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000091361803 193046220 /nfs/dbraw/zinc/04/62/20/193046220.db2.gz LECMSITUHGZUDO-IBGZPJMESA-N 1 0 316.445 3.662 50 0 DHAARO COc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000222113838 201603049 /nfs/dbraw/zinc/60/30/49/201603049.db2.gz CHEFIUIZGVKAAA-CNDLSXRNSA-N 1 0 303.446 3.676 50 0 DHAARO Clc1ccc(Cn2cc[n+](COC3CCCCC3)c2)cc1 ZINC000261492786 203073390 /nfs/dbraw/zinc/07/33/90/203073390.db2.gz CETKEIUWHMYVOE-UHFFFAOYSA-N 1 0 305.829 3.784 50 0 DHAARO Clc1ccc(Cn2cc[n+](COCc3ccccc3)c2)cc1 ZINC000261492834 203073578 /nfs/dbraw/zinc/07/35/78/203073578.db2.gz HVLPGWFDWFTRHY-UHFFFAOYSA-N 1 0 313.808 3.652 50 0 DHAARO C[S@@](=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000093439552 193253348 /nfs/dbraw/zinc/25/33/48/193253348.db2.gz NFNSDAMWQCWVPB-RXVVDRJESA-N 1 0 303.471 3.746 50 0 DHAARO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000093737859 193298376 /nfs/dbraw/zinc/29/83/76/193298376.db2.gz WRQZBIYTGHVIJU-HZPDHXFCSA-N 1 0 303.446 3.601 50 0 DHAARO CSC[C@@H]1CCC[N@@H+]1Cc1cnc(-c2cccnc2)s1 ZINC000093760841 193301843 /nfs/dbraw/zinc/30/18/43/193301843.db2.gz NDDWGIIPGQRKPS-ZDUSSCGKSA-N 1 0 305.472 3.533 50 0 DHAARO CSC[C@H]1CCC[N@@H+]1Cc1cnc(-c2cccnc2)s1 ZINC000093760843 193302089 /nfs/dbraw/zinc/30/20/89/193302089.db2.gz NDDWGIIPGQRKPS-CYBMUJFWSA-N 1 0 305.472 3.533 50 0 DHAARO Cc1ccc(-c2ncc(C[N@H+](C)CCc3nccs3)s2)o1 ZINC000093844099 193317439 /nfs/dbraw/zinc/31/74/39/193317439.db2.gz FKWMVBMNUZMMEX-UHFFFAOYSA-N 1 0 319.455 3.843 50 0 DHAARO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)c(F)c1 ZINC000095967725 193465239 /nfs/dbraw/zinc/46/52/39/193465239.db2.gz IXUMBGROLHWLPR-APPDUMDISA-N 1 0 301.361 3.878 50 0 DHAARO Cc1ccc2nc(-c3ccco3)nc(NCC[NH+]3CCCC3)c2c1 ZINC000096289568 193609656 /nfs/dbraw/zinc/60/96/56/193609656.db2.gz KWOUAXWQYDNHJV-UHFFFAOYSA-N 1 0 322.412 3.706 50 0 DHAARO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000096479271 193663000 /nfs/dbraw/zinc/66/30/00/193663000.db2.gz ZULMEJBMFFLHSK-BBRMVZONSA-N 1 0 321.490 3.763 50 0 DHAARO Cc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccccc2)cc1 ZINC000013509735 181857323 /nfs/dbraw/zinc/85/73/23/181857323.db2.gz XSHJASNUEYREHS-OAQYLSRUSA-N 1 0 321.444 3.645 50 0 DHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1F ZINC000015906135 182023860 /nfs/dbraw/zinc/02/38/60/182023860.db2.gz DRHCPEMGRJKTQJ-QFBILLFUSA-N 1 0 324.399 3.582 50 0 DHAARO Cc1cc(C(=O)NC2CC[NH+](C)CC2)sc1-c1ccccc1 ZINC000016602584 182051705 /nfs/dbraw/zinc/05/17/05/182051705.db2.gz LGOYMLRIPOSQGD-UHFFFAOYSA-N 1 0 314.454 3.548 50 0 DHAARO CC(C)(CNC(=O)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000016695109 182058172 /nfs/dbraw/zinc/05/81/72/182058172.db2.gz RNDRNWASCLVPKO-UHFFFAOYSA-N 1 0 310.441 3.834 50 0 DHAARO Fc1ccc(C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 ZINC000017206767 182080109 /nfs/dbraw/zinc/08/01/09/182080109.db2.gz JDXSYVXVIBPKBV-UHFFFAOYSA-N 1 0 311.355 3.715 50 0 DHAARO CCc1ccc([C@H](CNC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000018180265 182097206 /nfs/dbraw/zinc/09/72/06/182097206.db2.gz VWYIHAWWBCPLPP-SFHVURJKSA-N 1 0 311.429 3.673 50 0 DHAARO Cc1cc(C)c(C)c(OCCCCCC[NH+]2CCOCC2)c1 ZINC000019607307 182132786 /nfs/dbraw/zinc/13/27/86/182132786.db2.gz IXTVIJLQERQYML-UHFFFAOYSA-N 1 0 305.462 3.883 50 0 DHAARO CCOc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000019842279 182155804 /nfs/dbraw/zinc/15/58/04/182155804.db2.gz VZWXKKBKGKGTCJ-UHFFFAOYSA-N 1 0 324.468 3.712 50 0 DHAARO C[C@@H]1CCC[C@H]([NH+]2CCN(CCCc3ccccc3)CC2)C1 ZINC000019900101 182161861 /nfs/dbraw/zinc/16/18/61/182161861.db2.gz KOXWBYMAFNJUMY-QUCCMNQESA-N 1 0 300.490 3.816 50 0 DHAARO CCC(C)(C)c1ccc(OCCCC[NH+]2CCN(C)CC2)cc1 ZINC000020118405 182189269 /nfs/dbraw/zinc/18/92/69/182189269.db2.gz CJRUPPNQTVJBTO-UHFFFAOYSA-N 1 0 318.505 3.781 50 0 DHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1OC ZINC000021720948 182285940 /nfs/dbraw/zinc/28/59/40/182285940.db2.gz HSZXKOOHYLCIKC-HNNXBMFYSA-N 1 0 300.402 3.891 50 0 DHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(O)c1 ZINC000021720840 182286126 /nfs/dbraw/zinc/28/61/26/182286126.db2.gz JYXXTSYBGKPUAS-CQSZACIVSA-N 1 0 316.401 3.597 50 0 DHAARO Clc1cccc(C[NH2+]C[C@H]2COc3ccccc3O2)c1Cl ZINC000021803542 182291418 /nfs/dbraw/zinc/29/14/18/182291418.db2.gz ZWZBTDIUNCIXCZ-LBPRGKRZSA-N 1 0 324.207 3.923 50 0 DHAARO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000022050364 182306493 /nfs/dbraw/zinc/30/64/93/182306493.db2.gz IWDFFHIOVOXFOW-IAGOWNOFSA-N 1 0 316.445 3.518 50 0 DHAARO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)c1ccccc1 ZINC000023280464 182355753 /nfs/dbraw/zinc/35/57/53/182355753.db2.gz LVRYSLATUZYNBZ-MRXNPFEDSA-N 1 0 309.331 3.871 50 0 DHAARO CC1(C)CC(Nc2ccc(C(F)(F)F)cn2)CC(C)(C)[NH2+]1 ZINC000023618115 182364011 /nfs/dbraw/zinc/36/40/11/182364011.db2.gz KWAKGWGZYJZLJP-UHFFFAOYSA-N 1 0 301.356 3.822 50 0 DHAARO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc(Cl)cc1 ZINC000024367637 182379531 /nfs/dbraw/zinc/37/95/31/182379531.db2.gz ZZDZNOALTYUXLH-UHFFFAOYSA-N 1 0 309.841 3.728 50 0 DHAARO C[C@@H](CC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000040555805 183101803 /nfs/dbraw/zinc/10/18/03/183101803.db2.gz MFOCRIBZCUIWRJ-HNNXBMFYSA-N 1 0 302.462 3.559 50 0 DHAARO CC[C@H](C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770398 183306842 /nfs/dbraw/zinc/30/68/42/183306842.db2.gz VNQGNGYCEHFOAQ-NWDGAFQWSA-N 1 0 312.251 3.951 50 0 DHAARO CCc1cc(Br)ccc1OCCC1CC[NH2+]CC1 ZINC000042770194 183306924 /nfs/dbraw/zinc/30/69/24/183306924.db2.gz VKOPOGIGIUKBNN-UHFFFAOYSA-N 1 0 312.251 3.780 50 0 DHAARO Clc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042772923 183307066 /nfs/dbraw/zinc/30/70/66/183307066.db2.gz HTZXZHIJIMTRPU-SNVBAGLBSA-N 1 0 318.642 3.871 50 0 DHAARO COc1ccc2ccccc2c1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@H]12 ZINC000104835929 194045173 /nfs/dbraw/zinc/04/51/73/194045173.db2.gz IPCTZAPSIHIEIV-NSISKUIASA-N 1 0 311.425 3.804 50 0 DHAARO CC(C)CCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048302228 183641553 /nfs/dbraw/zinc/64/15/53/183641553.db2.gz GQFQUGWISQWOMB-KRWDZBQOSA-N 1 0 316.489 3.971 50 0 DHAARO Cc1ccc(/C=C\C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000106629309 194239507 /nfs/dbraw/zinc/23/95/07/194239507.db2.gz JEAKQOQKPULJHX-WFTPILKQSA-N 1 0 314.473 3.635 50 0 DHAARO c1ccc2c(c1)-c1ccccc1C2[NH+]1CCC2(CC1)OCCO2 ZINC000052533045 183863543 /nfs/dbraw/zinc/86/35/43/183863543.db2.gz CZHGLJVJFIYZHU-UHFFFAOYSA-N 1 0 307.393 3.595 50 0 DHAARO O=C(C=C1CCCCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000055980525 184002388 /nfs/dbraw/zinc/00/23/88/184002388.db2.gz UQFHZGKWJAIWFE-UHFFFAOYSA-N 1 0 312.457 3.789 50 0 DHAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000057411284 184037343 /nfs/dbraw/zinc/03/73/43/184037343.db2.gz HINFCUOERTUGCP-INIZCTEOSA-N 1 0 323.440 3.576 50 0 DHAARO CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000057406597 184037373 /nfs/dbraw/zinc/03/73/73/184037373.db2.gz HNIYFUJSSBQMGI-CYBMUJFWSA-N 1 0 300.427 3.698 50 0 DHAARO [NH2+]=C(NCc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000057887244 184060832 /nfs/dbraw/zinc/06/08/32/184060832.db2.gz QTTDACNCFUNZEW-UHFFFAOYSA-N 1 0 308.212 3.808 50 0 DHAARO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000058160394 184082068 /nfs/dbraw/zinc/08/20/68/184082068.db2.gz QPVUHVCMAOTXLF-UHFFFAOYSA-N 1 0 302.805 3.685 50 0 DHAARO Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]Cc1ccsc1 ZINC000058304936 184103102 /nfs/dbraw/zinc/10/31/02/184103102.db2.gz QXIMOLSMAUAGGL-UHFFFAOYSA-N 1 0 313.426 3.872 50 0 DHAARO Cc1c(Cl)cccc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000058323776 184105447 /nfs/dbraw/zinc/10/54/47/184105447.db2.gz PDKGVZNCHSRYOQ-ZDUSSCGKSA-N 1 0 309.841 3.500 50 0 DHAARO CC[NH+](CC)[C@@H](CNc1nccc(C(F)(F)F)n1)CC(C)C ZINC000058666355 184125971 /nfs/dbraw/zinc/12/59/71/184125971.db2.gz PUMAEUMFHMVGEH-GFCCVEGCSA-N 1 0 318.387 3.664 50 0 DHAARO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000065237215 184316992 /nfs/dbraw/zinc/31/69/92/184316992.db2.gz VZWBCJJVUDLYCA-INIZCTEOSA-N 1 0 322.424 3.705 50 0 DHAARO Cc1cc(C[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)CC2)[nH]n1 ZINC000065383340 184332697 /nfs/dbraw/zinc/33/26/97/184332697.db2.gz GVEMHNYSNQLCIL-LJQANCHMSA-N 1 0 309.413 3.549 50 0 DHAARO O=C(CC[NH2+]Cc1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000065423641 184341889 /nfs/dbraw/zinc/34/18/89/184341889.db2.gz PDMWSZLCHCIRTG-UHFFFAOYSA-N 1 0 306.768 3.598 50 0 DHAARO CC(=O)N1CCCC[C@@H]1C1=CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000065433130 184344315 /nfs/dbraw/zinc/34/43/15/184344315.db2.gz OPGZCNQBLNDYPE-FTUXVVSKSA-N 1 0 324.468 3.733 50 0 DHAARO CC(=O)N1CCC([NH2+]C[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000065470748 184350978 /nfs/dbraw/zinc/35/09/78/184350978.db2.gz BAVWOPSHFKIJFY-HXUWFJFHSA-N 1 0 314.473 3.561 50 0 DHAARO COc1ccc(-c2cc(C[NH2+]C3Cc4ccccc4C3)no2)cc1 ZINC000065403591 184337123 /nfs/dbraw/zinc/33/71/23/184337123.db2.gz YXHNWRABBUFGTC-UHFFFAOYSA-N 1 0 320.392 3.607 50 0 DHAARO COc1ccc(-c2cc(C[NH2+][C@@H](C)CC(F)(F)F)on2)cc1 ZINC000065404850 184337980 /nfs/dbraw/zinc/33/79/80/184337980.db2.gz KKTMRNBGRRREAI-JTQLQIEISA-N 1 0 314.307 3.781 50 0 DHAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C1CCCC1 ZINC000065576156 184368147 /nfs/dbraw/zinc/36/81/47/184368147.db2.gz SURPJKKTTAJZRQ-UHFFFAOYSA-N 1 0 318.486 3.673 50 0 DHAARO CCn1cc(C[NH2+]CCCOc2ccccn2)c2ccccc21 ZINC000113395982 194586132 /nfs/dbraw/zinc/58/61/32/194586132.db2.gz HFGAEKAEKMHBPU-UHFFFAOYSA-N 1 0 309.413 3.615 50 0 DHAARO Brc1ccc2c(c1)C=C(C[NH2+]C1CC=CC1)CO2 ZINC000151981854 196754744 /nfs/dbraw/zinc/75/47/44/196754744.db2.gz GOLWGGJJNXHNHN-UHFFFAOYSA-N 1 0 306.203 3.533 50 0 DHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237420559 257238488 /nfs/dbraw/zinc/23/84/88/257238488.db2.gz SRWLELUVGURBRO-BXUZGUMPSA-N 1 0 318.417 3.506 50 0 DHAARO Cc1nc2ncc(-c3ccc([C@H](C)[NH+]4CCCCC4)cc3)cn2n1 ZINC000426643032 257245546 /nfs/dbraw/zinc/24/55/46/257245546.db2.gz ROGUVSIBYNYXQL-AWEZNQCLSA-N 1 0 321.428 3.647 50 0 DHAARO CC1=CCN(C(=O)c2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000426535404 257247313 /nfs/dbraw/zinc/24/73/13/257247313.db2.gz FSUHSRVCDBLCRX-UHFFFAOYSA-N 1 0 312.457 3.855 50 0 DHAARO Cc1[nH]nc(C2CC2)c1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000426440198 257250444 /nfs/dbraw/zinc/25/04/44/257250444.db2.gz AIPHDWSXORCCMJ-AWEZNQCLSA-N 1 0 311.429 3.656 50 0 DHAARO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCO[C@H]2c2ccccc2)cn1 ZINC000252511481 257258007 /nfs/dbraw/zinc/25/80/07/257258007.db2.gz HFOAEDOXQRFILJ-WDYCEAGBSA-N 1 0 313.445 3.892 50 0 DHAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000534653255 334312916 /nfs/dbraw/zinc/31/29/16/334312916.db2.gz VECSPDDMQJFEOI-LBPRGKRZSA-N 1 0 308.853 3.612 50 0 DHAARO Cc1cc([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c(C)o1 ZINC000097237300 337382546 /nfs/dbraw/zinc/38/25/46/337382546.db2.gz RDLHDNRWGDJPFB-GFCCVEGCSA-N 1 0 305.447 3.673 50 0 DHAARO CSC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000130077013 337383202 /nfs/dbraw/zinc/38/32/02/337383202.db2.gz RBZPUAQPNVQIKY-NWDGAFQWSA-N 1 0 311.413 3.609 50 0 DHAARO CSC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000130077229 337383237 /nfs/dbraw/zinc/38/32/37/337383237.db2.gz RBZPUAQPNVQIKY-RYUDHWBXSA-N 1 0 311.413 3.609 50 0 DHAARO CC[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cccs1 ZINC000426337127 338027725 /nfs/dbraw/zinc/02/77/25/338027725.db2.gz YQVXHAARQVSGBI-OAHLLOKOSA-N 1 0 312.438 3.841 50 0 DHAARO c1ccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)cc2)cc1 ZINC000135632853 341243169 /nfs/dbraw/zinc/24/31/69/341243169.db2.gz PLTRYTWOJWAFHV-UHFFFAOYSA-N 1 0 323.436 3.735 50 0 DHAARO CCc1ccc(NC(=S)N2CCC([N@H+](C)C(C)C)CC2)cc1 ZINC000000261058 563583169 /nfs/dbraw/zinc/58/31/69/563583169.db2.gz NHQJUQMRNUTTLH-UHFFFAOYSA-N 1 0 319.518 3.750 50 0 DHAARO CCC[C@H](O)C[N@H+](CCC(C)C)Cc1ccc(OC)c(OC)c1 ZINC000036096125 563893000 /nfs/dbraw/zinc/89/30/00/563893000.db2.gz POFBJDSJKFGKDT-KRWDZBQOSA-N 1 0 323.477 3.713 50 0 DHAARO CC(C)(C)C[NH+]1CCC2(C[C@H]2C(=O)NCc2cccs2)CC1 ZINC000012155597 563363005 /nfs/dbraw/zinc/36/30/05/563363005.db2.gz HZINEHSMKSTCFP-HNNXBMFYSA-N 1 0 320.502 3.513 50 0 DHAARO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000026466601 563425653 /nfs/dbraw/zinc/42/56/53/563425653.db2.gz CQUXPSSVNJRRNB-BZPMIXESSA-N 1 0 308.853 3.953 50 0 DHAARO O[C@@H](C[NH2+]Cc1ccc(Cl)cc1)CSc1ccccc1 ZINC000000074166 563213246 /nfs/dbraw/zinc/21/32/46/563213246.db2.gz DUIDJNSSJNRUHB-HNNXBMFYSA-N 1 0 307.846 3.583 50 0 DHAARO O[C@H](C[NH2+]Cc1ccc(Cl)cc1)CSc1ccccc1 ZINC000000074164 563213267 /nfs/dbraw/zinc/21/32/67/563213267.db2.gz DUIDJNSSJNRUHB-OAHLLOKOSA-N 1 0 307.846 3.583 50 0 DHAARO C[NH+](C)CCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000000073582 563213478 /nfs/dbraw/zinc/21/34/78/563213478.db2.gz HTXOERKCSADZHX-UHFFFAOYSA-N 1 0 313.470 3.720 50 0 DHAARO c1ccc(C2(C[NH2+]C[C@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000000186718 563229153 /nfs/dbraw/zinc/22/91/53/563229153.db2.gz VLEKPJGZFAKGKV-SFHVURJKSA-N 1 0 323.436 3.928 50 0 biogenic DHAARO O[C@H](C[NH2+]Cc1ccco1)Cn1c2ccccc2c2ccccc21 ZINC000000277120 563235580 /nfs/dbraw/zinc/23/55/80/563235580.db2.gz PWDXMUGOYSJNDS-OAHLLOKOSA-N 1 0 320.392 3.538 50 0 DHAARO CC[NH+](CC)C[C@@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 ZINC000000340718 563242136 /nfs/dbraw/zinc/24/21/36/563242136.db2.gz UEJSOIXKDUIOAO-VQTJNVASSA-N 1 0 313.441 3.854 50 0 DHAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccccc1F ZINC000000383068 563248434 /nfs/dbraw/zinc/24/84/34/563248434.db2.gz BKUYBACBXMHXIA-AWEZNQCLSA-N 1 0 301.361 3.503 50 0 DHAARO O=C(NCC[NH+]1CCCCCC1)c1cc2c(cccc2F)s1 ZINC000071884663 563280975 /nfs/dbraw/zinc/28/09/75/563280975.db2.gz ONOJOXOEDSLKDW-UHFFFAOYSA-N 1 0 320.433 3.646 50 0 DHAARO CCCCN1CCc2c1[nH+]c1ccc(Br)cc1c2N ZINC000001823622 563296585 /nfs/dbraw/zinc/29/65/85/563296585.db2.gz XHNLICSHYXRRRU-UHFFFAOYSA-N 1 0 320.234 3.742 50 0 DHAARO C[C@H]1CC[C@H](C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000584902327 563297957 /nfs/dbraw/zinc/29/79/57/563297957.db2.gz XTRBUWGUPGRNJR-SZMVWBNQSA-N 1 0 311.429 3.567 50 0 DHAARO CCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC ZINC000002178139 563301427 /nfs/dbraw/zinc/30/14/27/563301427.db2.gz YHQONDIDRGUSLF-UHFFFAOYSA-N 1 0 306.233 3.908 50 0 DHAARO COc1cccc(C(=O)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000002515492 563306167 /nfs/dbraw/zinc/30/61/67/563306167.db2.gz UXFRVCZRFLDKJW-UHFFFAOYSA-N 1 0 309.409 3.912 50 0 DHAARO CC(C)(C)[NH2+]CCCCOc1ccccc1Br ZINC000002901136 563317274 /nfs/dbraw/zinc/31/72/74/563317274.db2.gz BBCYFHSKBHGTHS-UHFFFAOYSA-N 1 0 300.240 3.996 50 0 DHAARO Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000006742318 563333980 /nfs/dbraw/zinc/33/39/80/563333980.db2.gz NIJAVBOLKUYEMU-UHFFFAOYSA-N 1 0 315.461 3.786 50 0 DHAARO C[C@@H](N[C@H](C)c1ccncc1)c1nc(-c2cccs2)no1 ZINC000097370702 563336575 /nfs/dbraw/zinc/33/65/75/563336575.db2.gz YOOJAUVNNRCMJE-GHMZBOCLSA-N 1 0 300.387 3.605 50 0 DHAARO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246882136 563341893 /nfs/dbraw/zinc/34/18/93/563341893.db2.gz CUIBYXPUUWNZBE-UCHQMPSGSA-N 1 0 321.509 3.516 50 0 DHAARO C[NH+](C)C/C=C(\c1ccc(Br)cc1)c1cccnc1 ZINC000007996519 563343808 /nfs/dbraw/zinc/34/38/08/563343808.db2.gz OYPPVKRFBIWMSX-CXUHLZMHSA-N 1 0 317.230 3.837 50 0 in-man DHAARO CC1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000008746211 563349778 /nfs/dbraw/zinc/34/97/78/563349778.db2.gz BDEJZEGJPXGMDQ-UHFFFAOYSA-N 1 0 314.473 3.981 50 0 DHAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(F)c2)oc1C ZINC000011663148 563358869 /nfs/dbraw/zinc/35/88/69/563358869.db2.gz OWPNYLKGOBBNQU-INIZCTEOSA-N 1 0 318.392 3.790 50 0 DHAARO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CCCCC2)C1 ZINC000012429740 563369306 /nfs/dbraw/zinc/36/93/06/563369306.db2.gz HWKMDFBFKIRHIC-IBGZPJMESA-N 1 0 323.427 3.915 50 0 DHAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccsc1 ZINC000012576321 563371653 /nfs/dbraw/zinc/37/16/53/563371653.db2.gz COBGIMCZKMGGGK-OAHLLOKOSA-N 1 0 306.475 3.665 50 0 DHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccccc1 ZINC000012655777 563372156 /nfs/dbraw/zinc/37/21/56/563372156.db2.gz QMVOVIVYPUFDEL-PKOBYXMFSA-N 1 0 321.424 3.835 50 0 biogenic DHAARO CC[C@H](CNC(=O)c1cc2ccccc2s1)[NH+]1CCCC1 ZINC000032654049 563375559 /nfs/dbraw/zinc/37/55/59/563375559.db2.gz RINUDAASZOHTDJ-CQSZACIVSA-N 1 0 302.443 3.506 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[N@H+]2CCCC[C@H]2C)c2ccc(C)cc12 ZINC000013132143 563379038 /nfs/dbraw/zinc/37/90/38/563379038.db2.gz VTDUMFHAAHMNGU-CRAIPNDOSA-N 1 0 314.473 3.802 50 0 DHAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C)c1C ZINC000013147941 563379532 /nfs/dbraw/zinc/37/95/32/563379532.db2.gz JJYYMWPJODJYLK-OLMNPRSZSA-N 1 0 305.462 3.520 50 0 DHAARO COc1ccc(-c2c[n+](-c3ccccc3)c3n2CCS3)cc1 ZINC000013496538 563382750 /nfs/dbraw/zinc/38/27/50/563382750.db2.gz JTPOILAPENLVRK-UHFFFAOYSA-N 1 0 309.414 3.546 50 0 DHAARO Clc1nc2cc3c(cc2cc1C[NH2+]CC1CCCC1)OCO3 ZINC000013999009 563394203 /nfs/dbraw/zinc/39/42/03/563394203.db2.gz BFJYFFAZTRRBSD-UHFFFAOYSA-N 1 0 318.804 3.897 50 0 DHAARO OCc1ccc(C[N@@H+]2CCC[C@@H](CCc3cccc(F)c3)C2)o1 ZINC000014967137 563404828 /nfs/dbraw/zinc/40/48/28/563404828.db2.gz GOWYNPXTTJQRTH-INIZCTEOSA-N 1 0 317.404 3.756 50 0 DHAARO COc1cccc(CC[C@@H]2CCC[N@H+](Cc3nccs3)C2)c1 ZINC000015064631 563406302 /nfs/dbraw/zinc/40/63/02/563406302.db2.gz FJPWZXBHXGEDPC-INIZCTEOSA-N 1 0 316.470 3.997 50 0 DHAARO CO[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000015074625 563406955 /nfs/dbraw/zinc/40/69/55/563406955.db2.gz VKVLFNPSIXLVIJ-HNNXBMFYSA-N 1 0 300.402 3.569 50 0 DHAARO Cc1c2c(cc3c1[C@@H](n1ccc4ccccc41)[N@H+](C)CC3)OCO2 ZINC000015107702 563407861 /nfs/dbraw/zinc/40/78/61/563407861.db2.gz BOVMWYXULVNIRA-HXUWFJFHSA-N 1 0 320.392 3.713 50 0 DHAARO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000032900920 563410438 /nfs/dbraw/zinc/41/04/38/563410438.db2.gz ARIJHOMXFVDGHR-AWEZNQCLSA-N 1 0 310.376 3.566 50 0 DHAARO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582167 563428746 /nfs/dbraw/zinc/42/87/46/563428746.db2.gz WLFZXMPGOWHGHP-INIZCTEOSA-N 1 0 314.454 3.623 50 0 DHAARO Cc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027604827 563428813 /nfs/dbraw/zinc/42/88/13/563428813.db2.gz BTJBMZFQQBHNOP-MRXNPFEDSA-N 1 0 314.454 3.623 50 0 DHAARO CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027793091 563429906 /nfs/dbraw/zinc/42/99/06/563429906.db2.gz GRJACNMGYWJFSY-GOSISDBHSA-N 1 0 302.462 3.684 50 0 DHAARO Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000028291995 563431557 /nfs/dbraw/zinc/43/15/57/563431557.db2.gz IZCCIKREPBZGQD-HXUWFJFHSA-N 1 0 322.452 3.952 50 0 DHAARO Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000029689902 563435474 /nfs/dbraw/zinc/43/54/74/563435474.db2.gz HLEYIAZXCACACM-FQEVSTJZSA-N 1 0 324.468 3.655 50 0 DHAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OC1CCCC1 ZINC000032228135 563442146 /nfs/dbraw/zinc/44/21/46/563442146.db2.gz ZNYLJHPKOWWVKQ-UHFFFAOYSA-N 1 0 312.413 3.701 50 0 DHAARO COc1ccc(CC[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000035268971 563452747 /nfs/dbraw/zinc/45/27/47/563452747.db2.gz AWVROJJCJAUVPN-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO COc1cccc(CC[C@@H]2CCC[N@H+](Cc3cnc(C)[nH]3)C2)c1 ZINC000055054568 563471180 /nfs/dbraw/zinc/47/11/80/563471180.db2.gz BPBUTLFAKZAVMF-KRWDZBQOSA-N 1 0 313.445 3.572 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)[nH]1 ZINC000055109197 563471953 /nfs/dbraw/zinc/47/19/53/563471953.db2.gz CVWDHFNUGNRUIF-CQSZACIVSA-N 1 0 319.399 3.841 50 0 DHAARO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 ZINC000062258456 563482482 /nfs/dbraw/zinc/48/24/82/563482482.db2.gz QTRLGIPKYKBXLP-JTQLQIEISA-N 1 0 315.244 3.530 50 0 DHAARO O=c1ccccn1CCCC[NH2+]Cc1cc2ccccc2s1 ZINC000096466726 563483608 /nfs/dbraw/zinc/48/36/08/563483608.db2.gz YWVWFGANHYYCST-UHFFFAOYSA-N 1 0 312.438 3.633 50 0 DHAARO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc([S@](C)=O)cc1 ZINC000096477397 563484307 /nfs/dbraw/zinc/48/43/07/563484307.db2.gz GVABNABXBHEWNY-JLCFBVMHSA-N 1 0 319.445 3.847 50 0 DHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000067739555 563489673 /nfs/dbraw/zinc/48/96/73/563489673.db2.gz PWFYKTXTSJRMBV-LJQANCHMSA-N 1 0 309.413 3.549 50 0 DHAARO CC(C)C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CC[C@@]1(C)O ZINC000067773410 563490742 /nfs/dbraw/zinc/49/07/42/563490742.db2.gz QOXYVCCXLSZUPI-FXAWDEMLSA-N 1 0 312.457 3.854 50 0 DHAARO Cc1nc(C(C)C)sc1-c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067805259 563491197 /nfs/dbraw/zinc/49/11/97/563491197.db2.gz IUYZBLNXWPJXAA-UHFFFAOYSA-N 1 0 320.462 3.509 50 0 DHAARO CCCC[C@@H](C1=CCC[N@H+](C)C1)N(C)C(=O)c1cccs1 ZINC000067804629 563491341 /nfs/dbraw/zinc/49/13/41/563491341.db2.gz BPAZIYMUVBQCLR-HNNXBMFYSA-N 1 0 306.475 3.641 50 0 DHAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc(Cl)nn1 ZINC000067883498 563493601 /nfs/dbraw/zinc/49/36/01/563493601.db2.gz PUQTWNZXVARLCO-UHFFFAOYSA-N 1 0 319.792 3.527 50 0 DHAARO CC(C)NC(=O)NCC[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000067934401 563494304 /nfs/dbraw/zinc/49/43/04/563494304.db2.gz HNWCDNFGVVVUNX-MRXNPFEDSA-N 1 0 309.498 3.519 50 0 DHAARO Cc1ccc(C[C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000071279048 563498279 /nfs/dbraw/zinc/49/82/79/563498279.db2.gz KOMSKSQRBTVWKU-KRWDZBQOSA-N 1 0 316.489 3.553 50 0 DHAARO Cc1ccc2ccccc2c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071613938 563499619 /nfs/dbraw/zinc/49/96/19/563499619.db2.gz LCRKMDQAVSOTGL-UHFFFAOYSA-N 1 0 322.452 3.735 50 0 DHAARO COc1ccc2cc([C@@H]3CN(c4cc[nH+]cc4)CCO3)ccc2c1 ZINC000071775514 563500854 /nfs/dbraw/zinc/50/08/54/563500854.db2.gz UNRIDEONXLJPBM-FQEVSTJZSA-N 1 0 320.392 3.821 50 0 DHAARO CCc1[nH]c2ccc(CNc3nc(NC)cc(C)[nH+]3)cc2c1C ZINC000071776879 563500897 /nfs/dbraw/zinc/50/08/97/563500897.db2.gz JHKBQRWRRLFCDI-UHFFFAOYSA-N 1 0 309.417 3.791 50 0 DHAARO Cc1nnc(C[NH2+]C2(Cc3ccccc3)CCCC2)n1C1CC1 ZINC000097112689 563505858 /nfs/dbraw/zinc/50/58/58/563505858.db2.gz INWXNAILNHYSPK-UHFFFAOYSA-N 1 0 310.445 3.567 50 0 DHAARO Cc1nnc(C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)o1 ZINC000097110480 563505874 /nfs/dbraw/zinc/50/58/74/563505874.db2.gz MEXPWVZXGOTMLS-CQSZACIVSA-N 1 0 307.397 3.688 50 0 DHAARO Cc1cc(N2CCC[C@@H](Cn3ccnc3)C2)c2ccccc2[nH+]1 ZINC000077378297 563509437 /nfs/dbraw/zinc/50/94/37/563509437.db2.gz KZXUUKOYNGVJSF-INIZCTEOSA-N 1 0 306.413 3.656 50 0 DHAARO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[NH+](C)C ZINC000008572509 563522459 /nfs/dbraw/zinc/52/24/59/563522459.db2.gz XXNPXPBMMTXMAE-UHFFFAOYSA-N 1 0 322.408 3.889 50 0 DHAARO C[C@@H](C(=O)N(C)Cc1ccc(Cl)s1)[C@H]([NH3+])c1ccccc1 ZINC000130223671 563522616 /nfs/dbraw/zinc/52/26/16/563522616.db2.gz OVVXCPMYEKRURL-ABAIWWIYSA-N 1 0 322.861 3.696 50 0 DHAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+]1CCCC1 ZINC000008717964 563523129 /nfs/dbraw/zinc/52/31/29/563523129.db2.gz POEIVDKJMAADOZ-UHFFFAOYSA-N 1 0 314.429 3.879 50 0 DHAARO COc1ccc(Cl)c2c(=O)c(C[NH+]3CCCCC3)c(C)[nH]c12 ZINC000008717392 563523479 /nfs/dbraw/zinc/52/34/79/563523479.db2.gz FMIHPSJBKXBULJ-UHFFFAOYSA-N 1 0 320.820 3.897 50 0 DHAARO CC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717267 563523519 /nfs/dbraw/zinc/52/35/19/563523519.db2.gz XOAGDZFITAGHIL-GFCCVEGCSA-N 1 0 312.413 3.683 50 0 DHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CC(C)(C)C ZINC000072672990 563527043 /nfs/dbraw/zinc/52/70/43/563527043.db2.gz RLPJXNQNQYXKHE-RDJZCZTQSA-N 1 0 300.446 3.566 50 0 DHAARO c1c(-c2cccc3c4ccccc4oc32)nnn1C[C@H]1CCC[NH2+]1 ZINC000095362268 563529838 /nfs/dbraw/zinc/52/98/38/563529838.db2.gz KHNPZNZDZNTANE-CYBMUJFWSA-N 1 0 318.380 3.597 50 0 DHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccc1OC(F)F)C2 ZINC000095388556 563530006 /nfs/dbraw/zinc/53/00/06/563530006.db2.gz JKWGDWDWEPHRJO-GOEBONIOSA-N 1 0 324.415 3.594 50 0 DHAARO COc1cc(C)cc(-c2ccccc2OCC[NH+](C)C)c1OC ZINC000096141904 563534050 /nfs/dbraw/zinc/53/40/50/563534050.db2.gz ZYAOWXLDNRUGJI-UHFFFAOYSA-N 1 0 315.413 3.620 50 0 DHAARO C[C@@H](c1ccc(C(=O)N(C)Cc2ccoc2)o1)[NH+]1CCCCC1 ZINC000097307824 563538813 /nfs/dbraw/zinc/53/88/13/563538813.db2.gz BTHGKWKOMGXPGJ-AWEZNQCLSA-N 1 0 316.401 3.692 50 0 DHAARO Cc1cc(OCc2ccccc2)ccc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000097505727 563539392 /nfs/dbraw/zinc/53/93/92/563539392.db2.gz ACHDJGHFKNIHKK-UHFFFAOYSA-N 1 0 319.408 3.610 50 0 DHAARO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCCCC1 ZINC000000212192 563578152 /nfs/dbraw/zinc/57/81/52/563578152.db2.gz YJIJWKMUBGQTJC-MRXNPFEDSA-N 1 0 320.864 3.565 50 0 DHAARO COc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1Cl ZINC000113398981 563581717 /nfs/dbraw/zinc/58/17/17/563581717.db2.gz YJOPBGLCBRGDDS-UHFFFAOYSA-N 1 0 315.804 3.557 50 0 DHAARO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000247997910 563599544 /nfs/dbraw/zinc/59/95/44/563599544.db2.gz MZHKJKBRTVVPNC-QRWLVFNGSA-N 1 0 320.436 3.584 50 0 DHAARO CCC[NH+]1CCC(NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000000280174 563629422 /nfs/dbraw/zinc/62/94/22/563629422.db2.gz PJDQSUZKXOXSGE-UHFFFAOYSA-N 1 0 301.261 3.957 50 0 DHAARO CC(C)C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000236762381 563653079 /nfs/dbraw/zinc/65/30/79/563653079.db2.gz FLRRIKFNTHKBDQ-WTXIUTQJSA-N 1 0 320.502 3.872 50 0 DHAARO c1sc(-c2ncccn2)nc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000051229714 563668153 /nfs/dbraw/zinc/66/81/53/563668153.db2.gz DLGBWFZDZJBWHP-UONOGXRCSA-N 1 0 314.458 3.612 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2ccccc2o1 ZINC000046989070 563678173 /nfs/dbraw/zinc/67/81/73/563678173.db2.gz HALPRJPBSKNXNE-OAHLLOKOSA-N 1 0 314.429 3.817 50 0 DHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2ccccc2o1 ZINC000046989071 563678198 /nfs/dbraw/zinc/67/81/98/563678198.db2.gz HALPRJPBSKNXNE-HNNXBMFYSA-N 1 0 314.429 3.817 50 0 DHAARO OC1CCC([NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000044861658 563684989 /nfs/dbraw/zinc/68/49/89/563684989.db2.gz DHIIAJNMKZMTOW-UHFFFAOYSA-N 1 0 305.418 3.947 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2CCC2)C1 ZINC000048313377 563696384 /nfs/dbraw/zinc/69/63/84/563696384.db2.gz CGKXGEHWHBMPTD-IYBDPMFKSA-N 1 0 314.473 3.581 50 0 DHAARO COc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cn1 ZINC000215080548 563704651 /nfs/dbraw/zinc/70/46/51/563704651.db2.gz NKIQHPPFTQJQPT-UHFFFAOYSA-N 1 0 314.404 3.684 50 0 DHAARO Cc1cc(C[N@@H+]2CCC[C@@H](OCc3ccccn3)C2)ccc1F ZINC000215126727 563704741 /nfs/dbraw/zinc/70/47/41/563704741.db2.gz XZLKAJHXLQYTTF-GOSISDBHSA-N 1 0 314.404 3.710 50 0 DHAARO Cc1cccc(-c2ncc(CN3CCC(F)(F)CC3)cn2)c1 ZINC000215392866 563705500 /nfs/dbraw/zinc/70/55/00/563705500.db2.gz XAOXTYYJSZJZOO-UHFFFAOYSA-N 1 0 303.356 3.683 50 0 DHAARO CC(C)c1cc(CN2CCC([C@@H](O)c3cccs3)CC2)on1 ZINC000215382323 563705668 /nfs/dbraw/zinc/70/56/68/563705668.db2.gz YVSDAXJCFSEGMT-QGZVFWFLSA-N 1 0 320.458 3.805 50 0 DHAARO COc1ccc2[nH]c(C[N@H+](C)CCC[C@H]3CCCO3)c(C)c2c1 ZINC000216369666 563709183 /nfs/dbraw/zinc/70/91/83/563709183.db2.gz QKRAEDROJOXPRF-HNNXBMFYSA-N 1 0 316.445 3.876 50 0 DHAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1[nH]c2c(cccc2C)c1C ZINC000216539935 563710411 /nfs/dbraw/zinc/71/04/11/563710411.db2.gz DBBMDZPCYXFWMC-UHFFFAOYSA-N 1 0 310.445 3.799 50 0 DHAARO CC(=NNc1ccccc1)c1ccc(OCCC[NH+](C)C)cc1 ZINC000096027320 563752019 /nfs/dbraw/zinc/75/20/19/563752019.db2.gz KGQXBMDXHZFTGH-CAPFRKAQSA-N 1 0 311.429 3.853 50 0 DHAARO Cn1nccc1CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000242242300 563778190 /nfs/dbraw/zinc/77/81/90/563778190.db2.gz XTQUIJLMIDWNBL-LJQANCHMSA-N 1 0 308.429 3.671 50 0 DHAARO COc1cccc(OCC[N@H+]2CC[C@H]2c2cccc(OC)c2)c1 ZINC000244708165 563779145 /nfs/dbraw/zinc/77/91/45/563779145.db2.gz KOVWHEHYJMJCOY-IBGZPJMESA-N 1 0 313.397 3.530 50 0 DHAARO CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1ccccc1C(F)(F)F ZINC000244828535 563780029 /nfs/dbraw/zinc/78/00/29/563780029.db2.gz TXZLNQVAFTUHKO-DZGCQCFKSA-N 1 0 312.379 3.622 50 0 DHAARO C[C@@H](c1ccc(C(=O)O[C@@H](C)CC[NH+](C)C)o1)c1ccccc1 ZINC000001817505 563796054 /nfs/dbraw/zinc/79/60/54/563796054.db2.gz UQKRKNYMJLVFPM-LSDHHAIUSA-N 1 0 315.413 3.928 50 0 DHAARO Cc1cc(C[NH2+]Cc2c[nH]nc2-c2cccs2)ccc1F ZINC000012530397 563798149 /nfs/dbraw/zinc/79/81/49/563798149.db2.gz MJPOSYZXPAIURF-UHFFFAOYSA-N 1 0 301.390 3.876 50 0 DHAARO CCCSc1ccccc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000299768917 563805682 /nfs/dbraw/zinc/80/56/82/563805682.db2.gz ZYNVGRMFQXSOPV-ZDUSSCGKSA-N 1 0 307.463 3.534 50 0 DHAARO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(-n2ccnc2)c1 ZINC000083473202 563811337 /nfs/dbraw/zinc/81/13/37/563811337.db2.gz GFHAKBYEDWSNAN-CYBMUJFWSA-N 1 0 312.804 3.772 50 0 DHAARO Cc1ccc(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000084183009 563824683 /nfs/dbraw/zinc/82/46/83/563824683.db2.gz SHFNSQHTHHWPEC-CJNGLKHVSA-N 1 0 321.852 3.596 50 0 DHAARO Cc1noc(CNc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000084286746 563825534 /nfs/dbraw/zinc/82/55/34/563825534.db2.gz KLWQGVCGLGSYMF-UHFFFAOYSA-N 1 0 314.433 3.755 50 0 DHAARO C[C@@H]1CN(CC[NH2+]Cc2cccc(-c3ccccc3)c2)C[C@H](C)O1 ZINC000084706316 563829722 /nfs/dbraw/zinc/82/97/22/563829722.db2.gz ZBMDBHYASIVXSV-HDICACEKSA-N 1 0 324.468 3.552 50 0 DHAARO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000084755292 563830476 /nfs/dbraw/zinc/83/04/76/563830476.db2.gz BDSXXBHKLXTUBO-SJORKVTESA-N 1 0 306.494 3.558 50 0 DHAARO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000084718680 563830505 /nfs/dbraw/zinc/83/05/05/563830505.db2.gz DLGNDWTWKHHPGJ-HOTGVXAUSA-N 1 0 320.502 3.548 50 0 DHAARO Cc1cc(Cl)ccc1C[NH2+]Cc1cccc(-c2nc[nH]n2)c1 ZINC000129729248 563850996 /nfs/dbraw/zinc/85/09/96/563850996.db2.gz RMLXBZVZQYTPHD-UHFFFAOYSA-N 1 0 312.804 3.723 50 0 DHAARO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N[C@@H](C)c1cccs1 ZINC000035262626 563851121 /nfs/dbraw/zinc/85/11/21/563851121.db2.gz QTXCCJLRZSRDRE-UONOGXRCSA-N 1 0 302.443 3.618 50 0 DHAARO Cc1ccsc1CN(C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000012905021 563853248 /nfs/dbraw/zinc/85/32/48/563853248.db2.gz MBGBXCNWSFQPKX-UHFFFAOYSA-N 1 0 317.389 3.878 50 0 DHAARO C[C@H](NC(=O)CN(C)[C@@H](C)c1ccc(F)cc1)c1cccs1 ZINC000012907270 563853411 /nfs/dbraw/zinc/85/34/11/563853411.db2.gz BQNAAVKGLGICED-STQMWFEESA-N 1 0 320.433 3.757 50 0 DHAARO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(Br)c1 ZINC000225323911 563870093 /nfs/dbraw/zinc/87/00/93/563870093.db2.gz MRKCJPAPJDNYPQ-BBRMVZONSA-N 1 0 323.278 3.508 50 0 DHAARO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000229723216 563870936 /nfs/dbraw/zinc/87/09/36/563870936.db2.gz AVVAUGMMDLNEKV-DOTOQJQBSA-N 1 0 324.424 3.512 50 0 DHAARO CC(C)(CO)[C@@H](C[NH2+]C1Cc2ccccc2C1)c1ccccc1 ZINC000090656861 563872924 /nfs/dbraw/zinc/87/29/24/563872924.db2.gz SBMQZHDYLGKDCH-FQEVSTJZSA-N 1 0 309.453 3.546 50 0 DHAARO O[C@H](C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000013005606 563875076 /nfs/dbraw/zinc/87/50/76/563875076.db2.gz XCINSJOBIPZONT-OAQYLSRUSA-N 1 0 318.420 3.991 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000239432812 563880134 /nfs/dbraw/zinc/88/01/34/563880134.db2.gz WNOXUDZNUVFWLM-GGPKGHCWSA-N 1 0 317.473 3.706 50 0 DHAARO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1cccc2ccccc21 ZINC000241135429 563880409 /nfs/dbraw/zinc/88/04/09/563880409.db2.gz JPHNFGDUMGHUFQ-HZPDHXFCSA-N 1 0 310.441 3.891 50 0 DHAARO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(Cc2ccccc2)o1 ZINC000241132897 563880433 /nfs/dbraw/zinc/88/04/33/563880433.db2.gz JMYNPIRIZRDSJX-HYVNUMGLSA-N 1 0 311.429 3.813 50 0 DHAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCc2ccccc2C1 ZINC000035945777 563890311 /nfs/dbraw/zinc/89/03/11/563890311.db2.gz FVDPMBKMZSQEEX-AWEZNQCLSA-N 1 0 304.393 3.797 50 0 DHAARO CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036095498 563892754 /nfs/dbraw/zinc/89/27/54/563892754.db2.gz PKXORFZZAUACAD-IBGZPJMESA-N 1 0 301.405 3.641 50 0 DHAARO Cc1ccc(C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C)c(C)c1 ZINC000036098902 563893641 /nfs/dbraw/zinc/89/36/41/563893641.db2.gz LSDKVTMNAFSKJE-GOSISDBHSA-N 1 0 307.478 3.690 50 0 DHAARO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)cn1 ZINC000170042460 563902868 /nfs/dbraw/zinc/90/28/68/563902868.db2.gz HFOAEDOXQRFILJ-VDZJLULYSA-N 1 0 313.445 3.892 50 0 DHAARO CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000170070854 563903607 /nfs/dbraw/zinc/90/36/07/563903607.db2.gz FEELPSFIJDRPPC-HSALFYBXSA-N 1 0 322.452 3.556 50 0 DHAARO COC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000007339542 563905330 /nfs/dbraw/zinc/90/53/30/563905330.db2.gz GOSOYYXNHQGHEJ-UHFFFAOYSA-N 1 0 312.413 3.706 50 0 DHAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C)C1)c1cccc2ccccc21 ZINC000007340727 563905498 /nfs/dbraw/zinc/90/54/98/563905498.db2.gz PMKGCAPOHFZFLU-HOTGVXAUSA-N 1 0 310.441 3.749 50 0 DHAARO CC[C@H](Nc1cnn(-c2ccccc2F)c1C)c1nccn1C ZINC000170593083 563906620 /nfs/dbraw/zinc/90/66/20/563906620.db2.gz GCDYBARXUBNECV-AWEZNQCLSA-N 1 0 313.380 3.617 50 0 DHAARO COc1ccc(F)cc1-c1cncc(C[NH+]2CCCCC2)c1 ZINC000037279068 563907967 /nfs/dbraw/zinc/90/79/67/563907967.db2.gz REYJKQYIFCZYFZ-UHFFFAOYSA-N 1 0 300.377 3.882 50 0 DHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249401990 563909556 /nfs/dbraw/zinc/90/95/56/563909556.db2.gz VMVTWQKWNLVPON-LPWJVIDDSA-N 1 0 305.340 3.802 50 0 DHAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1cccs1 ZINC000249700902 563909738 /nfs/dbraw/zinc/90/97/38/563909738.db2.gz YEGIBBZXAWFRQE-DLBZAZTESA-N 1 0 320.502 3.546 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000076056533 563912138 /nfs/dbraw/zinc/91/21/38/563912138.db2.gz VONAIJUBCQOQJP-GDZNZVCISA-N 1 0 320.864 3.638 50 0 DHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000076057421 563912152 /nfs/dbraw/zinc/91/21/52/563912152.db2.gz ZLHJIEDJGZYRTR-JXFKEZNVSA-N 1 0 324.468 3.822 50 0 DHAARO CS[C@H]1CCC[C@H]1[N@H+](C)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000076091412 563912322 /nfs/dbraw/zinc/91/23/22/563912322.db2.gz XNEZBDIKGHCAEN-KGLIPLIRSA-N 1 0 321.421 3.592 50 0 DHAARO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3nc(C)c(C)o3)C2)cc1 ZINC000076391578 563912706 /nfs/dbraw/zinc/91/27/06/563912706.db2.gz BYBMAZJWTHVUAJ-LRDDRELGSA-N 1 0 300.402 3.678 50 0 DHAARO C/C=C/c1ccc(OCCOCC[NH2+][C@@H](C)CC)c(OC)c1 ZINC000002825486 563913037 /nfs/dbraw/zinc/91/30/37/563913037.db2.gz WESQFUKAPRTHFY-ZKKXHLJNSA-N 1 0 307.434 3.512 50 0 DHAARO Cc1ccc(NC(=S)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000003017828 563913126 /nfs/dbraw/zinc/91/31/26/563913126.db2.gz OCWHLSZDUOYRJJ-UHFFFAOYSA-N 1 0 317.502 3.642 50 0 DHAARO Cc1cc(C)cc(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000252457271 563915204 /nfs/dbraw/zinc/91/52/04/563915204.db2.gz SCSLOYNFQURBCX-HZPDHXFCSA-N 1 0 319.518 3.853 50 0 DHAARO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000252477531 563915824 /nfs/dbraw/zinc/91/58/24/563915824.db2.gz QBFAPZJYBWVMFE-ARESOWRYSA-N 1 0 313.466 3.911 50 0 DHAARO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2OCC(F)(F)F)C[C@H](C)O1 ZINC000252511218 563916520 /nfs/dbraw/zinc/91/65/20/563916520.db2.gz FBLSKQUVMNXLMI-AIEDFZFUSA-N 1 0 323.399 3.670 50 0 DHAARO C[N@H+](Cc1nc(Cl)ccc1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252511215 563916534 /nfs/dbraw/zinc/91/65/34/563916534.db2.gz FAXDSRUDOPEUIA-OWYVNGRQSA-N 1 0 315.244 3.634 50 0 DHAARO C[N@H+](CCOC(=O)c1cc(Cl)ccc1Cl)C(C)(C)C ZINC000002212646 563918997 /nfs/dbraw/zinc/91/89/97/563918997.db2.gz GLLQRUYVYGGERV-UHFFFAOYSA-N 1 0 304.217 3.881 50 0 DHAARO C[C@@H]1C[NH+]=C(c2ccccc2)C=C(c2cc(Cl)ccc2O)N1 ZINC000107941615 563924167 /nfs/dbraw/zinc/92/41/67/563924167.db2.gz VWWDYAIHGPYVFI-GFCCVEGCSA-N 1 0 312.800 3.868 50 0 DHAARO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000076412814 563924231 /nfs/dbraw/zinc/92/42/31/563924231.db2.gz OOCYMHYGCOHHHG-CQSZACIVSA-N 1 0 324.852 3.560 50 0 DHAARO Cc1cccc(C2CC([NH2+]Cc3cccnc3-n3ccnc3)C2)c1 ZINC000154104970 563924872 /nfs/dbraw/zinc/92/48/72/563924872.db2.gz RAEPJFCGHNUPCP-UHFFFAOYSA-N 1 0 318.424 3.612 50 0 DHAARO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000253432971 563925702 /nfs/dbraw/zinc/92/57/02/563925702.db2.gz QHWHYJMHKIVDSL-WMZOPIPTSA-N 1 0 313.445 3.512 50 0 DHAARO CC1CC[NH+](CCCOc2cccc(Br)c2)CC1 ZINC000230533245 563927175 /nfs/dbraw/zinc/92/71/75/563927175.db2.gz QKZBXAGJZFIICY-UHFFFAOYSA-N 1 0 312.251 3.950 50 0 DHAARO CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000094696945 563928435 /nfs/dbraw/zinc/92/84/35/563928435.db2.gz GRANSQCOQUDLNC-QWRGUYRKSA-N 1 0 317.260 3.792 50 0 DHAARO Cc1ccc([C@H](C(=O)NC2CCCC2)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000013139150 563929266 /nfs/dbraw/zinc/92/92/66/563929266.db2.gz OYCCRLOXRRVOJL-VQIMIIECSA-N 1 0 314.473 3.827 50 0 DHAARO CC[C@]1(O)c2ccccc2[C@@H](c2ccccc2)[C@]1(C)C[NH+](C)C ZINC000261361519 563929549 /nfs/dbraw/zinc/92/95/49/563929549.db2.gz HLOMJYSWLVTBHK-HKBOAZHASA-N 1 0 309.453 3.998 50 0 DHAARO CC[C@H](C)NC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000078822618 563929976 /nfs/dbraw/zinc/92/99/76/563929976.db2.gz PRMXUEOOCRAFFI-BQFCYCMXSA-N 1 0 319.493 3.850 50 0 DHAARO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000095420145 563931316 /nfs/dbraw/zinc/93/13/16/563931316.db2.gz DZMVJUKUSZYZFK-HNNXBMFYSA-N 1 0 311.454 3.714 50 0 DHAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)o1 ZINC000095420171 563931421 /nfs/dbraw/zinc/93/14/21/563931421.db2.gz BSVBVUXPNQJGPU-OAHLLOKOSA-N 1 0 309.413 3.938 50 0 DHAARO C[C@@H]1CSc2ccccc2[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000095427076 563931531 /nfs/dbraw/zinc/93/15/31/563931531.db2.gz ZHTRDQRXRWNSCC-ACJLOTCBSA-N 1 0 302.487 3.686 50 0 DHAARO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000095426569 563931668 /nfs/dbraw/zinc/93/16/68/563931668.db2.gz DAPJPDOTQASNJM-LJQANCHMSA-N 1 0 310.441 3.547 50 0 DHAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Cl)s1 ZINC000095951881 563932212 /nfs/dbraw/zinc/93/22/12/563932212.db2.gz UGEDMKHJENWVRB-WXHSDQCUSA-N 1 0 313.850 3.708 50 0 DHAARO C[C@H](CC1CC1)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000095962415 563932501 /nfs/dbraw/zinc/93/25/01/563932501.db2.gz HNWHHWQPFVWOJM-DOMZBBRYSA-N 1 0 306.837 3.614 50 0 DHAARO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000095969292 563933391 /nfs/dbraw/zinc/93/33/91/563933391.db2.gz LDTQWKRPCJSWQI-HUUCEWRRSA-N 1 0 301.434 3.757 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000095971526 563933433 /nfs/dbraw/zinc/93/34/33/563933433.db2.gz BQJFOGIYGGMQMJ-QZTJIDSGSA-N 1 0 308.425 3.847 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000095988002 563934085 /nfs/dbraw/zinc/93/40/85/563934085.db2.gz YVEDMSPDDWZJFT-RISCZKNCSA-N 1 0 320.820 3.748 50 0 DHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(CO)c2)c1 ZINC000095988796 563934093 /nfs/dbraw/zinc/93/40/93/563934093.db2.gz ITIVZQKDAXNEIL-UONOGXRCSA-N 1 0 312.413 3.549 50 0 DHAARO C[C@@]1(CC(=O)Nc2ccccc2)[NH2+]CCc2c3ccccc3[nH]c21 ZINC000096028085 563935216 /nfs/dbraw/zinc/93/52/16/563935216.db2.gz OVVJGBCTEJFQJK-FQEVSTJZSA-N 1 0 319.408 3.558 50 0 DHAARO Cc1ccc(/C=C\C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000096256179 563936029 /nfs/dbraw/zinc/93/60/29/563936029.db2.gz JEAKQOQKPULJHX-CPFIRTDXSA-N 1 0 314.473 3.635 50 0 DHAARO COc1ccc(C[NH2+]C/C(C)=C\c2ccccc2)cc1NC(C)=O ZINC000096403162 563936576 /nfs/dbraw/zinc/93/65/76/563936576.db2.gz RRBKGILPOMSSMA-PTNGSMBKSA-N 1 0 324.424 3.847 50 0 DHAARO Cc1cnn(C2CC[NH+](CCSc3ccccc3)CC2)c1 ZINC000096410343 563936780 /nfs/dbraw/zinc/93/67/80/563936780.db2.gz RDPMDXOMZJBYES-UHFFFAOYSA-N 1 0 301.459 3.621 50 0 DHAARO Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)c(-c2cccnc2)n1 ZINC000097159736 563937886 /nfs/dbraw/zinc/93/78/86/563937886.db2.gz BTLYGPYEMRAPDU-LJQANCHMSA-N 1 0 318.424 3.649 50 0 DHAARO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028236848 563939001 /nfs/dbraw/zinc/93/90/01/563939001.db2.gz LFSDSNMYQMYKSA-LJQANCHMSA-N 1 0 324.424 3.688 50 0 DHAARO C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)C1(C)CC1 ZINC000162669821 563941201 /nfs/dbraw/zinc/94/12/01/563941201.db2.gz WFDWSPLRHFTVMI-HNNXBMFYSA-N 1 0 303.446 3.660 50 0 DHAARO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000163014715 563942773 /nfs/dbraw/zinc/94/27/73/563942773.db2.gz VKHCNQVUEUZTGC-GZBFAFLISA-N 1 0 315.417 3.660 50 0 DHAARO CCc1cc2c(C[NH2+][C@@H](C)c3ccccc3)cc(=O)oc2cc1O ZINC000057886702 563943135 /nfs/dbraw/zinc/94/31/35/563943135.db2.gz WGCRXLOGKOQKTC-ZDUSSCGKSA-N 1 0 323.392 3.912 50 0 DHAARO Cc1nccn1C[C@H]1CCC[N@H+](CCc2c[nH]c3ccccc23)C1 ZINC000670441739 563943961 /nfs/dbraw/zinc/94/39/61/563943961.db2.gz USTFTSGLZTWKRD-KRWDZBQOSA-N 1 0 322.456 3.628 50 0 DHAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000007985956 563945955 /nfs/dbraw/zinc/94/59/55/563945955.db2.gz AUPXWIPEMFTOJN-UHFFFAOYSA-N 1 0 317.820 3.723 50 0 DHAARO CC[NH+](CC)Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717811 563950193 /nfs/dbraw/zinc/95/01/93/563950193.db2.gz KECRVXQFMDCLHM-UHFFFAOYSA-N 1 0 308.809 3.753 50 0 DHAARO Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1C[NH+]1CCCC1 ZINC000008717343 563950207 /nfs/dbraw/zinc/95/02/07/563950207.db2.gz OSWOARUUSCTJOJ-UHFFFAOYSA-N 1 0 310.319 3.863 50 0 DHAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c(C)noc1C ZINC000069683452 563954083 /nfs/dbraw/zinc/95/40/83/563954083.db2.gz YXHJHSMNPNZBMN-MRXNPFEDSA-N 1 0 300.402 3.507 50 0 DHAARO COc1ccc(Cl)cc1CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000009722576 563957616 /nfs/dbraw/zinc/95/76/16/563957616.db2.gz ODDKGRZCRWWFJM-CHWSQXEVSA-N 1 0 310.850 3.852 50 0 DHAARO C[N@H+](C[C@@H](O)COC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000010434720 563958990 /nfs/dbraw/zinc/95/89/90/563958990.db2.gz JCZJSKJSPSUMIM-OFGIBPIPSA-N 1 0 321.505 3.597 50 0 DHAARO COc1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1OC ZINC000071837140 563959003 /nfs/dbraw/zinc/95/90/03/563959003.db2.gz JDDPJLOVKGQYOG-MRXNPFEDSA-N 1 0 301.361 3.620 50 0 DHAARO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)c1 ZINC000071875821 563959466 /nfs/dbraw/zinc/95/94/66/563959466.db2.gz ZXLKDPGTJCLSOI-GOSISDBHSA-N 1 0 322.412 3.511 50 0 DHAARO COc1cc(C[NH2+][C@H](C)c2c(C)nn(C)c2C)ccc1SC ZINC000078553153 563961113 /nfs/dbraw/zinc/96/11/13/563961113.db2.gz IQFHBMQTXIVJHB-LLVKDONJSA-N 1 0 319.474 3.618 50 0 DHAARO Cc1cccc(Cl)c1NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000097095245 568413559 /nfs/dbraw/zinc/41/35/59/568413559.db2.gz UABMCAFNKFCCLR-ZFWWWQNUSA-N 1 0 321.852 3.596 50 0 DHAARO C[C@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc2ccccc2o1 ZINC000007444937 568419605 /nfs/dbraw/zinc/41/96/05/568419605.db2.gz GOERPSNRBVKGSI-ZNMIVQPWSA-N 1 0 314.429 3.588 50 0 DHAARO C[C@](O)(C[NH2+]Cc1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000185110305 1016578434 /nfs/dbraw/zinc/57/84/34/1016578434.db2.gz NDZFVXIKXRNWCF-SFHVURJKSA-N 1 0 314.816 3.819 50 0 DHAARO C[C@H](C1CC1)[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000192906421 1032513877 /nfs/dbraw/zinc/51/38/77/1032513877.db2.gz FUWWERKIUMNCGG-LLVKDONJSA-N 1 0 317.458 3.907 50 0 DHAARO Cc1ccc2oc(C[NH2+][C@H]3CCO[C@@H]3c3cccnc3)cc2c1 ZINC000952845117 1032663147 /nfs/dbraw/zinc/66/31/47/1032663147.db2.gz MYTXBDWYLBUKTK-PKOBYXMFSA-N 1 0 308.381 3.756 50 0 DHAARO CC[N@H+](C)[C@@H]1CCN(C(=O)c2sc3ccc(C)cc3c2C)C1 ZINC000952845663 1032666160 /nfs/dbraw/zinc/66/61/60/1032666160.db2.gz AOPSKFLFEULMOM-CQSZACIVSA-N 1 0 316.470 3.684 50 0 DHAARO Clc1ccncc1CNCC1([NH+]2CCCCC2)CCCC1 ZINC000952868885 1032665740 /nfs/dbraw/zinc/66/57/40/1032665740.db2.gz BWHSUBAURQQCJN-UHFFFAOYSA-N 1 0 307.869 3.623 50 0 DHAARO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC000952979867 1032678203 /nfs/dbraw/zinc/67/82/03/1032678203.db2.gz BAZHXWBZMROUOR-IBGZPJMESA-N 1 0 309.457 3.713 50 0 DHAARO COCC1(C[NH2+]Cc2ccc(-c3ccc(OC)cc3)o2)CCC1 ZINC000952991917 1032679798 /nfs/dbraw/zinc/67/97/98/1032679798.db2.gz XKFCQEHFQNLFMK-UHFFFAOYSA-N 1 0 315.413 3.862 50 0 DHAARO CCCOc1ccc(NC(=O)[C@@H]([NH3+])C2CCCCC2)cc1Cl ZINC000952986385 1032681128 /nfs/dbraw/zinc/68/11/28/1032681128.db2.gz LNGXBKIIYWNWMH-INIZCTEOSA-N 1 0 324.852 3.975 50 0 DHAARO CCN1CCCC[C@H]1C[NH2+]Cc1[nH]c2ccccc2c1Cl ZINC000952984942 1032682990 /nfs/dbraw/zinc/68/29/90/1032682990.db2.gz YXRAYZIUQFOMLL-ZDUSSCGKSA-N 1 0 305.853 3.785 50 0 DHAARO Cc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000952990398 1032685541 /nfs/dbraw/zinc/68/55/41/1032685541.db2.gz VZCLWVVBMSZETH-MRXNPFEDSA-N 1 0 316.395 3.889 50 0 DHAARO Cc1nc(C)c(C(=O)Nc2ccccc2C[NH+]2CCCCC2)o1 ZINC000952988844 1032686754 /nfs/dbraw/zinc/68/67/54/1032686754.db2.gz LGSPUKZMJGRPNY-UHFFFAOYSA-N 1 0 313.401 3.530 50 0 DHAARO Cc1[nH]c2c(cc(F)cc2C[NH2+]C2CSCCSC2)c1C ZINC000011818263 1019267667 /nfs/dbraw/zinc/26/76/67/1019267667.db2.gz DMIRXINIRUHDSZ-UHFFFAOYSA-N 1 0 324.490 3.862 50 0 DHAARO c1ccc(Oc2ncccc2C[NH2+]C2CCSCC2)cc1 ZINC000011937947 1019892158 /nfs/dbraw/zinc/89/21/58/1019892158.db2.gz AIVOJGGOGVUKGG-UHFFFAOYSA-N 1 0 300.427 3.859 50 0 DHAARO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](CC)C1 ZINC000012298106 1019925216 /nfs/dbraw/zinc/92/52/16/1019925216.db2.gz FRHPKCMCJFZULK-BEBFYNPSSA-N 1 0 301.430 3.755 50 0 DHAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000012298251 1020033170 /nfs/dbraw/zinc/03/31/70/1020033170.db2.gz QZWICSGPXXNCDB-OAHLLOKOSA-N 1 0 301.430 3.759 50 0 DHAARO CC(=O)N[C@H]1CC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000820576802 1020197124 /nfs/dbraw/zinc/19/71/24/1020197124.db2.gz APDWSGUPACPPHJ-HNNXBMFYSA-N 1 0 324.449 3.765 50 0 DHAARO Cc1ncn(CC[NH2+][C@H](C)CCSc2ccc(F)cc2)c1C ZINC000821164266 1020240560 /nfs/dbraw/zinc/24/05/60/1020240560.db2.gz KLVLCEZSWXERHB-CYBMUJFWSA-N 1 0 321.465 3.800 50 0 DHAARO Cc1nccn1CC[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000821758584 1020273731 /nfs/dbraw/zinc/27/37/31/1020273731.db2.gz LOELPUIUBNCTGR-AWEZNQCLSA-N 1 0 308.429 3.510 50 0 DHAARO COc1cncc(/C=C\CC[N@@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000568388758 1020304976 /nfs/dbraw/zinc/30/49/76/1020304976.db2.gz ROONRGPMNPCZRO-SVEBXFOSSA-N 1 0 313.401 3.627 50 0 DHAARO COC1(C[NH2+][C@H](C)c2cc3ccccc3s2)CCOCC1 ZINC000188255832 1020313937 /nfs/dbraw/zinc/31/39/37/1020313937.db2.gz IXSSHDSROZIPTC-CYBMUJFWSA-N 1 0 305.443 3.748 50 0 DHAARO CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012387687 1020401866 /nfs/dbraw/zinc/40/18/66/1020401866.db2.gz IORYGDDQGSJWQI-HXUWFJFHSA-N 1 0 314.473 3.644 50 0 DHAARO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc(OC)c1 ZINC000824550911 1020575370 /nfs/dbraw/zinc/57/53/70/1020575370.db2.gz LZJUPRIMJMRGJI-LJQANCHMSA-N 1 0 312.413 3.826 50 0 DHAARO O[C@H](C[NH2+]C1CCCCCC1)COc1ccc2ccccc2c1 ZINC000002859063 1023296846 /nfs/dbraw/zinc/29/68/46/1023296846.db2.gz FOVLMISMFUZBLO-LJQANCHMSA-N 1 0 313.441 3.892 50 0 DHAARO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000112529498 1024044250 /nfs/dbraw/zinc/04/42/50/1024044250.db2.gz LWGLHSGFUYMVNF-GFCCVEGCSA-N 1 0 306.356 3.998 50 0 DHAARO COc1ccc(CC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004981274 1024147190 /nfs/dbraw/zinc/14/71/90/1024147190.db2.gz RYBAVEWNVDNECI-SFHVURJKSA-N 1 0 324.468 3.839 50 0 DHAARO Cc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cs1 ZINC000006797710 1024219660 /nfs/dbraw/zinc/21/96/60/1024219660.db2.gz DGBGQKKMUSBVBI-UHFFFAOYSA-N 1 0 300.471 3.996 50 0 DHAARO CC[C@@H](O)C1CCN(Cc2[nH]c3ccccc3c2Cl)CC1 ZINC000216089777 1024530149 /nfs/dbraw/zinc/53/01/49/1024530149.db2.gz QRCBQYYIURHSKU-MRXNPFEDSA-N 1 0 306.837 3.804 50 0 DHAARO C[C@H](/C=C/c1ccccn1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000888099278 1024703638 /nfs/dbraw/zinc/70/36/38/1024703638.db2.gz YLIWVEGOELKEQW-NKHMXISVSA-N 1 0 311.429 3.503 50 0 DHAARO Oc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000621436172 1024804249 /nfs/dbraw/zinc/80/42/49/1024804249.db2.gz NGYJTGSSRUQENM-PMACEKPBSA-N 1 0 314.473 3.621 50 0 DHAARO CC(=O)N(CCC[NH+](C)C)[C@@H]1CCCC[C@@H]1C1=CCCCC1 ZINC000005378058 1025136060 /nfs/dbraw/zinc/13/60/60/1025136060.db2.gz LQSOSWGLYWPBCY-RTBURBONSA-N 1 0 306.494 3.846 50 0 DHAARO CC(C)c1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000053962339 1025917480 /nfs/dbraw/zinc/91/74/80/1025917480.db2.gz TVAJPQFRBGWEBK-UHFFFAOYSA-N 1 0 303.450 3.804 50 0 DHAARO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccncc1Cl ZINC000421805260 1027053570 /nfs/dbraw/zinc/05/35/70/1027053570.db2.gz WJJHOLNCIQZDAD-XJKSGUPXSA-N 1 0 319.836 3.816 50 0 DHAARO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2ccc(C3(O)CCC3)cc2)cc1 ZINC000863976378 1028055805 /nfs/dbraw/zinc/05/58/05/1028055805.db2.gz CRDKPDHCKFECEJ-MGPUTAFESA-N 1 0 323.436 3.775 50 0 DHAARO CC[C@@H]1c2ccccc2CCN1Cc1ncc(CN(C)C)s1 ZINC000585084322 1029643559 /nfs/dbraw/zinc/64/35/59/1029643559.db2.gz AETKPYYDBABCQI-QGZVFWFLSA-N 1 0 315.486 3.714 50 0 DHAARO Cc1cnc(-c2ccncc2)n1C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000575547461 1029856554 /nfs/dbraw/zinc/85/65/54/1029856554.db2.gz CVMPIWUXRXDXME-KRWDZBQOSA-N 1 0 324.472 3.908 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(OC)c1OC ZINC000005578269 1037048868 /nfs/dbraw/zinc/04/88/68/1037048868.db2.gz AOWNHSTZDKEGII-GDBMZVCRSA-N 1 0 319.445 3.867 50 0 DHAARO Cc1ccc(OCCOCC[N@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000002822179 1037222996 /nfs/dbraw/zinc/22/29/96/1037222996.db2.gz WVERHHXPTLWIQX-HNNXBMFYSA-N 1 0 311.853 3.776 50 0 DHAARO CCc1cc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)o1 ZINC000151117061 1037727538 /nfs/dbraw/zinc/72/75/38/1037727538.db2.gz GFBLVIOBODXNRG-INIZCTEOSA-N 1 0 324.424 3.775 50 0 DHAARO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000850475566 1037965387 /nfs/dbraw/zinc/96/53/87/1037965387.db2.gz ACQJIUBQAUOUBA-LXIYXOSZSA-N 1 0 320.383 3.966 50 0 DHAARO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)C1(c2ccccc2)CCCC1 ZINC000225407396 201702832 /nfs/dbraw/zinc/70/28/32/201702832.db2.gz HQFZEECYLGEPCI-HKUYNNGSSA-N 1 0 317.473 3.672 50 0 DHAARO Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1F ZINC000082166291 185174314 /nfs/dbraw/zinc/17/43/14/185174314.db2.gz WGEOFGMOOGKYLC-QGZVFWFLSA-N 1 0 318.436 3.615 50 0 DHAARO Cc1ncsc1C[NH2+]Cc1ccc(C)cc1OCC1CC1 ZINC000088745609 185263736 /nfs/dbraw/zinc/26/37/36/185263736.db2.gz UWEXKVRBVGGHPJ-UHFFFAOYSA-N 1 0 302.443 3.839 50 0 DHAARO CCc1ccc(C[NH2+][C@H](C)c2ccccc2N2CCOCC2)o1 ZINC000095415509 185358733 /nfs/dbraw/zinc/35/87/33/185358733.db2.gz IUTKRWDPLUTZHQ-OAHLLOKOSA-N 1 0 314.429 3.529 50 0 DHAARO Cc1cc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c(C)s1 ZINC000095419791 185360086 /nfs/dbraw/zinc/36/00/86/185360086.db2.gz WLQSHTAPSAQFNB-CYBMUJFWSA-N 1 0 318.490 3.576 50 0 DHAARO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095423529 185361293 /nfs/dbraw/zinc/36/12/93/185361293.db2.gz NVBUNBBXVRDICB-LBPRGKRZSA-N 1 0 321.490 3.763 50 0 DHAARO C[C@@H](C1CC1)n1nccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000097009605 185396548 /nfs/dbraw/zinc/39/65/48/185396548.db2.gz DVDAWGCQDBQDTD-INIZCTEOSA-N 1 0 324.472 3.931 50 0 DHAARO CC(=O)Nc1ccc(CC[NH2+][C@H](C)Cc2ccc(F)cc2)cc1 ZINC000095421790 185360698 /nfs/dbraw/zinc/36/06/98/185360698.db2.gz FYGKRPKLDMYJHO-CQSZACIVSA-N 1 0 314.404 3.547 50 0 DHAARO COc1ccc(OC)c(/C=C/c2ccc3ccccc3[n+]2C)c1 ZINC000016998871 190642561 /nfs/dbraw/zinc/64/25/61/190642561.db2.gz KXEHIPMQYAOXGJ-PKNBQFBNSA-N 1 0 306.385 3.852 50 0 DHAARO CC(C)c1ccc(CC[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000097162463 185418004 /nfs/dbraw/zinc/41/80/04/185418004.db2.gz AAAHFLOYYZUAFV-HNNXBMFYSA-N 1 0 312.461 3.631 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccccc2)c2ccc(C)cc12 ZINC000028297088 190654961 /nfs/dbraw/zinc/65/49/61/190654961.db2.gz MPZAGZWOMAQZPD-IBGZPJMESA-N 1 0 322.452 3.717 50 0 DHAARO Cc1csc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000080338737 192150860 /nfs/dbraw/zinc/15/08/60/192150860.db2.gz YJRWCBAWJJASPI-WBVHZDCISA-N 1 0 315.486 3.594 50 0 DHAARO Cc1nc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)co1 ZINC000071748818 191021439 /nfs/dbraw/zinc/02/14/39/191021439.db2.gz GLVFHOQGWVEJBU-INIZCTEOSA-N 1 0 302.393 3.967 50 0 DHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071749958 191022124 /nfs/dbraw/zinc/02/21/24/191022124.db2.gz SKMGWZRXFVBEBY-KRWDZBQOSA-N 1 0 315.436 3.712 50 0 DHAARO COCCc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000072140287 191047715 /nfs/dbraw/zinc/04/77/15/191047715.db2.gz YFDDBOFZMWGNCJ-PKOBYXMFSA-N 1 0 303.446 3.519 50 0 DHAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@@H]1c1ccccn1)=C2 ZINC000072134473 191046586 /nfs/dbraw/zinc/04/65/86/191046586.db2.gz NRBRHKRFISODNB-GOSISDBHSA-N 1 0 322.408 3.703 50 0 DHAARO Fc1ccc(OC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000072141929 191049669 /nfs/dbraw/zinc/04/96/69/191049669.db2.gz IUNZVMXHDUWCKU-MRXNPFEDSA-N 1 0 300.377 3.512 50 0 DHAARO COCC[N@@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153382 191057033 /nfs/dbraw/zinc/05/70/33/191057033.db2.gz LSUFFMJSAIZOBR-OAHLLOKOSA-N 1 0 315.379 3.996 50 0 DHAARO COCC[N@@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153383 191057262 /nfs/dbraw/zinc/05/72/62/191057262.db2.gz LSUFFMJSAIZOBR-HNNXBMFYSA-N 1 0 315.379 3.996 50 0 DHAARO Cc1nc(C2CC[NH+](Cc3ccc(Cl)s3)CC2)cc(=O)[nH]1 ZINC000072158293 191060892 /nfs/dbraw/zinc/06/08/92/191060892.db2.gz RUJXPAODSFIYKP-UHFFFAOYSA-N 1 0 323.849 3.585 50 0 DHAARO Oc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2cscn2)cc1 ZINC000072165775 191064728 /nfs/dbraw/zinc/06/47/28/191064728.db2.gz LGANXOALOGSDOG-INIZCTEOSA-N 1 0 302.443 3.836 50 0 DHAARO CC(C)OC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000072170170 191067870 /nfs/dbraw/zinc/06/78/70/191067870.db2.gz OWKUROPCQFPWDP-QGZVFWFLSA-N 1 0 304.434 3.820 50 0 DHAARO Fc1ccccc1-n1cc(CN2CCC[C@H]2c2ccccn2)cn1 ZINC000072172838 191069880 /nfs/dbraw/zinc/06/98/80/191069880.db2.gz KPYOIZWFMVFVMX-IBGZPJMESA-N 1 0 322.387 3.744 50 0 DHAARO Cc1cccc2c(C[N@H+]3CCC[C@]4(CN(C)C(=O)O4)C3)cccc12 ZINC000072475735 191177861 /nfs/dbraw/zinc/17/78/61/191177861.db2.gz RBDFUHKWHVPZBQ-FQEVSTJZSA-N 1 0 324.424 3.565 50 0 DHAARO CC[NH+](CC)CC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000000275611 180745061 /nfs/dbraw/zinc/74/50/61/180745061.db2.gz YUYXDFOIKZFNGJ-UHFFFAOYSA-N 1 0 323.440 3.809 50 0 DHAARO O=C(CCC1CCCC1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000000316760 180758295 /nfs/dbraw/zinc/75/82/95/180758295.db2.gz OCWGMMHIXYKZAV-UHFFFAOYSA-N 1 0 306.494 3.824 50 0 DHAARO CC(=O)c1cccc(NC(=O)[C@H]([NH2+]C(C)C)c2ccccc2)c1 ZINC000003327453 181006255 /nfs/dbraw/zinc/00/62/55/181006255.db2.gz ZVCFTISUVIHEQX-GOSISDBHSA-N 1 0 310.397 3.567 50 0 DHAARO Cc1sc2ncnc(NC[C@H](c3ccco3)[NH+](C)C)c2c1C ZINC000003410500 181016585 /nfs/dbraw/zinc/01/65/85/181016585.db2.gz MQYLLBWQSGCGOM-GFCCVEGCSA-N 1 0 316.430 3.616 50 0 DHAARO C[C@@H](C(=O)Nc1cccc(Oc2ccccc2)c1)[NH+]1CCCC1 ZINC000003454010 181021951 /nfs/dbraw/zinc/02/19/51/181021951.db2.gz PBXATMRCJGMAKB-HNNXBMFYSA-N 1 0 310.397 3.902 50 0 DHAARO O[C@]12CCCC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)[NH2+]CC2 ZINC000004031362 181065032 /nfs/dbraw/zinc/06/50/32/181065032.db2.gz ADCRKOWUVHTZCP-ONERCXAPSA-N 1 0 300.229 3.949 50 0 DHAARO C[NH2+][C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004084115 181071419 /nfs/dbraw/zinc/07/14/19/181071419.db2.gz LXUIGQVHABEBDW-UXGBMSEJSA-N 1 0 305.506 3.978 50 0 biogenic DHAARO COc1ccc(C(=O)OCC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004082309 181070288 /nfs/dbraw/zinc/07/02/88/181070288.db2.gz IVEBIROSGNNAAU-CRAIPNDOSA-N 1 0 317.429 3.507 50 0 biogenic DHAARO c1cc2c(ncnc2NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000004324100 181098202 /nfs/dbraw/zinc/09/82/02/181098202.db2.gz VHNZPOZLUIMVIB-UHFFFAOYSA-N 1 0 324.453 3.768 50 0 DHAARO C[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000004657683 181132967 /nfs/dbraw/zinc/13/29/67/181132967.db2.gz NJAVXVVCXOEPFA-UHFFFAOYSA-N 1 0 309.768 3.786 50 0 DHAARO O=C(NC1CCCCCC1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004676415 181135414 /nfs/dbraw/zinc/13/54/14/181135414.db2.gz VVHWMOMLDSTZPP-KRWDZBQOSA-N 1 0 318.505 3.894 50 0 DHAARO OCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004719237 181141990 /nfs/dbraw/zinc/14/19/90/181141990.db2.gz PTKCEDPIGMNZSL-UHFFFAOYSA-N 1 0 317.432 3.951 50 0 DHAARO C[C@@H](C[NH+]1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000004725487 181143210 /nfs/dbraw/zinc/14/32/10/181143210.db2.gz DCEBKNITKLJTDI-KRWDZBQOSA-N 1 0 314.473 3.515 50 0 DHAARO O=C(NC12CC3CC(CC(C3)C1)C2)OCC[NH2+]C1CCCCC1 ZINC000004826909 181158158 /nfs/dbraw/zinc/15/81/58/181158158.db2.gz FBUWLBDDKJQKAL-UHFFFAOYSA-N 1 0 320.477 3.604 50 0 DHAARO O=C(CC[NH+]1CCCCC1)Nc1c(Cl)cccc1Cl ZINC000004863731 181165199 /nfs/dbraw/zinc/16/51/99/181165199.db2.gz QCAFLNOPKPAIDN-UHFFFAOYSA-N 1 0 301.217 3.808 50 0 DHAARO CC(C)[NH2+]CCCn1c(C(C)(C)C)cn2c3ccccc3nc21 ZINC000004859449 181164289 /nfs/dbraw/zinc/16/42/89/181164289.db2.gz MRDZYMXINCJIEB-UHFFFAOYSA-N 1 0 312.461 3.975 50 0 DHAARO CCC[NH+]1CCN(C(=S)Nc2ccc([C@H](C)CC)cc2)CC1 ZINC000005041631 181195283 /nfs/dbraw/zinc/19/52/83/181195283.db2.gz DSMBFUCEHVPFHH-OAHLLOKOSA-N 1 0 319.518 3.925 50 0 DHAARO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000005073824 181201387 /nfs/dbraw/zinc/20/13/87/181201387.db2.gz HBMFAGWAMCXWPH-MRXNPFEDSA-N 1 0 311.853 3.734 50 0 DHAARO CCC[NH+](CCC)CP12(O[C@H](C)[C@H](C)O1)O[C@@H](C)[C@H](C)O2 ZINC000005298662 181227699 /nfs/dbraw/zinc/22/76/99/181227699.db2.gz RXAWBXAKAOSLAY-ZQDZILKHSA-N 1 0 321.398 3.927 50 0 DHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)C1 ZINC000237357525 202243135 /nfs/dbraw/zinc/24/31/35/202243135.db2.gz NCZUIKOAHMTTGZ-WBVHZDCISA-N 1 0 308.425 3.553 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc3ccccc3s2)C1 ZINC000188156569 200201782 /nfs/dbraw/zinc/20/17/82/200201782.db2.gz BMHLVSKIGLAEOX-TZMCWYRMSA-N 1 0 302.443 3.563 50 0 DHAARO C[C@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000006008028 181305715 /nfs/dbraw/zinc/30/57/15/181305715.db2.gz SVAGUECYRSHNGL-LBPRGKRZSA-N 1 0 316.426 3.771 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+](C(C)C)C(C)C ZINC000245228806 202513170 /nfs/dbraw/zinc/51/31/70/202513170.db2.gz FVWVHROWEIKEIH-MKXGPGLRSA-N 1 0 313.526 3.944 50 0 DHAARO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc([S@](C)=O)cc1 ZINC000095991428 541316161 /nfs/dbraw/zinc/31/61/61/541316161.db2.gz FPPSDWMBNHPRFV-MCMMXHMISA-N 1 0 317.429 3.903 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000006725663 181377354 /nfs/dbraw/zinc/37/73/54/181377354.db2.gz KFQRDWWPWCOGNM-TXEJJXNPSA-N 1 0 314.351 3.622 50 0 DHAARO CCCCc1ccc(NC(=O)N2CC[NH+](CCC)CC2)cc1 ZINC000006725532 181377518 /nfs/dbraw/zinc/37/75/18/181377518.db2.gz LBGOCRYBIHANOK-UHFFFAOYSA-N 1 0 303.450 3.589 50 0 DHAARO CCCCn1ccnc1C1CC[NH+](Cc2cc(CC)no2)CC1 ZINC000091518569 193068246 /nfs/dbraw/zinc/06/82/46/193068246.db2.gz OZWURGUAEVQYCA-UHFFFAOYSA-N 1 0 316.449 3.613 50 0 DHAARO Cc1nc([C@H](C)N(C)C(=O)C[NH+]2CCCCCCC2)c(C)s1 ZINC000091873353 193121263 /nfs/dbraw/zinc/12/12/63/193121263.db2.gz MACBEUGRVNMNOG-ZDUSSCGKSA-N 1 0 323.506 3.545 50 0 DHAARO CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)nc1 ZINC000091943366 193130147 /nfs/dbraw/zinc/13/01/47/193130147.db2.gz QQTMNMZFLDCLGR-AZUAARDMSA-N 1 0 313.489 3.506 50 0 DHAARO O=c1cc(C[NH2+]CCCC[C@@H]2CCCO2)[nH]c2c(F)cccc12 ZINC000092038308 193146708 /nfs/dbraw/zinc/14/67/08/193146708.db2.gz DKGXZQUCCHFKEC-CQSZACIVSA-N 1 0 318.392 3.518 50 0 DHAARO CCS[C@@H]1CCCC[N@H+](Cc2sc(N(C)C)nc2C)C1 ZINC000093361857 193238289 /nfs/dbraw/zinc/23/82/89/193238289.db2.gz QMJSNOGYPFMYEF-CYBMUJFWSA-N 1 0 313.536 3.625 50 0 DHAARO Cc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)c1 ZINC000008613179 181569534 /nfs/dbraw/zinc/56/95/34/181569534.db2.gz QDXUQNAIKYASTJ-LJQANCHMSA-N 1 0 314.473 3.866 50 0 DHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](CC=C(C)C)C2)cc1F ZINC000012577365 181778682 /nfs/dbraw/zinc/77/86/82/181778682.db2.gz DGQXNHPLAYORLH-OAHLLOKOSA-N 1 0 305.393 3.695 50 0 DHAARO CC1=C2C[C@@H]3[C@H](C[NH2+]CC(C)C)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012659989 181786188 /nfs/dbraw/zinc/78/61/88/181786188.db2.gz VKYWVRQVIMCGBD-LORHWOILSA-N 1 0 305.462 3.690 50 0 biogenic DHAARO C[NH+](C)[C@@H](CNC(=O)c1cccc2ccccc21)c1ccsc1 ZINC000013011246 181823585 /nfs/dbraw/zinc/82/35/85/181823585.db2.gz UFVFIDXISALNKF-SFHVURJKSA-N 1 0 324.449 3.934 50 0 DHAARO Cc1cccc(NC(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000014160622 181931429 /nfs/dbraw/zinc/93/14/29/181931429.db2.gz IEKKDBFWKLSMGK-UHFFFAOYSA-N 1 0 303.450 3.771 50 0 DHAARO O=C(c1ccc(Cl)cc1)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631743 181962530 /nfs/dbraw/zinc/96/25/30/181962530.db2.gz WGTGNCXIULQFAZ-QGZVFWFLSA-N 1 0 315.800 3.702 50 0 DHAARO CCOC(=O)c1oc2c(cccc2C)c1CNc1cc[nH+]cc1 ZINC000015017904 181983857 /nfs/dbraw/zinc/98/38/57/181983857.db2.gz YJBVCAQUUXZKLC-UHFFFAOYSA-N 1 0 310.353 3.925 50 0 DHAARO CCc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015582534 182008341 /nfs/dbraw/zinc/00/83/41/182008341.db2.gz HHXUXESSCYQGBM-UHFFFAOYSA-N 1 0 322.452 3.643 50 0 DHAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(OC)c2)cc1 ZINC000015837090 182020672 /nfs/dbraw/zinc/02/06/72/182020672.db2.gz NJWUCBHQBONIBW-QGZVFWFLSA-N 1 0 313.397 3.747 50 0 DHAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000015861045 182022629 /nfs/dbraw/zinc/02/26/29/182022629.db2.gz IYPHTUZKKDVRAA-UHFFFAOYSA-N 1 0 324.399 3.905 50 0 DHAARO Cc1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCCCC2)o1 ZINC000015860157 182022696 /nfs/dbraw/zinc/02/26/96/182022696.db2.gz QJPNITKGWNAZOL-KRWDZBQOSA-N 1 0 312.413 3.545 50 0 DHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccccc1 ZINC000018177771 182097134 /nfs/dbraw/zinc/09/71/34/182097134.db2.gz CIGZCYAVAVPWQM-UHFFFAOYSA-N 1 0 315.461 3.997 50 0 DHAARO Cc1nc(CC[NH+]2CCC(Oc3ccccc3F)CC2)cs1 ZINC000019144479 182105769 /nfs/dbraw/zinc/10/57/69/182105769.db2.gz WEUIRXQVZLGZEC-UHFFFAOYSA-N 1 0 320.433 3.677 50 0 DHAARO CCOc1ccc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019359433 182118886 /nfs/dbraw/zinc/11/88/86/182118886.db2.gz IFKBWBBKZKEALA-HKUYNNGSSA-N 1 0 316.489 3.782 50 0 DHAARO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)c1ccccc1 ZINC000019609104 182133703 /nfs/dbraw/zinc/13/37/03/182133703.db2.gz ZDBSNVWWJUNUKN-MRXNPFEDSA-N 1 0 320.230 3.615 50 0 DHAARO Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)s1 ZINC000019642753 182134188 /nfs/dbraw/zinc/13/41/88/182134188.db2.gz VEEYFFKSOWUCFH-MRXNPFEDSA-N 1 0 318.461 3.950 50 0 DHAARO CC(C)c1ccc([C@H](C[NH3+])N2CCc3sccc3C2)cc1 ZINC000019770048 182144732 /nfs/dbraw/zinc/14/47/32/182144732.db2.gz JWGZANXWSYSDOX-KRWDZBQOSA-N 1 0 300.471 3.930 50 0 DHAARO CC[C@H](C)[NH+]1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019889627 182161120 /nfs/dbraw/zinc/16/11/20/182161120.db2.gz SUEGNHBVKRMQOH-ZDUSSCGKSA-N 1 0 300.368 3.622 50 0 DHAARO C[C@H]1CCC[C@H]([NH+]2CCN(CCCc3ccccc3)CC2)C1 ZINC000019900103 182161591 /nfs/dbraw/zinc/16/15/91/182161591.db2.gz KOXWBYMAFNJUMY-ICSRJNTNSA-N 1 0 300.490 3.816 50 0 DHAARO CC[C@@H](C)c1ccccc1OCCCC[NH+]1CCN(C)CC1 ZINC000020118135 182189156 /nfs/dbraw/zinc/18/91/56/182189156.db2.gz MHYJGFGMYIXMLH-QGZVFWFLSA-N 1 0 304.478 3.607 50 0 DHAARO OC(C[NH2+]Cc1ccccc1F)(c1ccccc1)c1ccccc1 ZINC000020365938 182211497 /nfs/dbraw/zinc/21/14/97/182211497.db2.gz HYGHUOZWMRFRMT-UHFFFAOYSA-N 1 0 321.395 3.851 50 0 DHAARO c1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000020405012 182215363 /nfs/dbraw/zinc/21/53/63/182215363.db2.gz SNRZSONRAFJJSB-UHFFFAOYSA-N 1 0 309.438 3.619 50 0 in-vivo DHAARO CCOc1ccc2oc(=O)cc(C[NH+]3CCCCCC3)c2c1 ZINC000020446820 182218114 /nfs/dbraw/zinc/21/81/14/182218114.db2.gz VAHQXBWVPLUSOT-UHFFFAOYSA-N 1 0 301.386 3.568 50 0 DHAARO CCc1c(C[NH+]2CCN(Cc3ccccc3)CC2)csc1C ZINC000020514407 182226588 /nfs/dbraw/zinc/22/65/88/182226588.db2.gz XKANNKLAUYHWPO-UHFFFAOYSA-N 1 0 314.498 3.937 50 0 DHAARO CCC(=O)c1ccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020652929 182241943 /nfs/dbraw/zinc/24/19/43/182241943.db2.gz XMWUZASLQCBKFX-HZPDHXFCSA-N 1 0 319.445 3.548 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c(OC)c1 ZINC000021720245 182286403 /nfs/dbraw/zinc/28/64/03/182286403.db2.gz ORXSOHLXXWHTOA-MRXNPFEDSA-N 1 0 316.401 3.646 50 0 DHAARO CN1CC[NH+](CCCCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000022184704 182312231 /nfs/dbraw/zinc/31/22/31/182312231.db2.gz MWNGYZOYEJFLFT-UHFFFAOYSA-N 1 0 318.505 3.781 50 0 DHAARO Cc1ccccc1[C@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000023338487 182357430 /nfs/dbraw/zinc/35/74/30/182357430.db2.gz DOTVOVWLDYGGKS-INIZCTEOSA-N 1 0 311.429 3.710 50 0 DHAARO C[N@H+](CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1F ZINC000024897449 182394577 /nfs/dbraw/zinc/39/45/77/182394577.db2.gz KTHRXVYFCSXZBN-UHFFFAOYSA-N 1 0 322.330 3.565 50 0 DHAARO Cc1nn(C)c(C)c1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000032519510 182646041 /nfs/dbraw/zinc/64/60/41/182646041.db2.gz WFNDWRMXTJEAQX-UHFFFAOYSA-N 1 0 315.436 3.631 50 0 DHAARO Cc1ncsc1CCC[NH2+]CC[C@H](C)CCCC(C)(C)O ZINC000032603545 182649360 /nfs/dbraw/zinc/64/93/60/182649360.db2.gz RKVGMMBSQOTYKD-CQSZACIVSA-N 1 0 312.523 3.941 50 0 DHAARO CC(C)[C@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1ccccc1 ZINC000040002685 183027370 /nfs/dbraw/zinc/02/73/70/183027370.db2.gz OHCMDCOUVYMADX-PBHICJAKSA-N 1 0 316.470 3.740 50 0 DHAARO C[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(CC3CCCCC3)CC2)C1 ZINC000039420946 183018116 /nfs/dbraw/zinc/01/81/16/183018116.db2.gz ZSKMVIFDUUCSKA-FUHWJXTLSA-N 1 0 306.494 3.680 50 0 DHAARO CCCCNC(=O)C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000042133810 183234158 /nfs/dbraw/zinc/23/41/58/183234158.db2.gz ROJIQUGKKUDKIM-CQSZACIVSA-N 1 0 306.425 3.515 50 0 DHAARO c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CCSc2ccccc21 ZINC000042956918 183323093 /nfs/dbraw/zinc/32/30/93/183323093.db2.gz MCQBCKCRZJMPCQ-INIZCTEOSA-N 1 0 322.437 3.798 50 0 DHAARO Cc1cc(O[C@H]2CCC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042774438 183307830 /nfs/dbraw/zinc/30/78/30/183307830.db2.gz BYPOTIALBSDIMO-JTQLQIEISA-N 1 0 318.642 3.850 50 0 DHAARO CC1CC[NH+](CCCCNC(=O)c2cc3ccccc3o2)CC1 ZINC000047016278 183578141 /nfs/dbraw/zinc/57/81/41/183578141.db2.gz HATSCTQQNPJEAM-UHFFFAOYSA-N 1 0 314.429 3.675 50 0 DHAARO CC(C)(C)c1cn(C2CC[NH+](C3CCCCCC3)CC2)nn1 ZINC000048212319 183627949 /nfs/dbraw/zinc/62/79/49/183627949.db2.gz QXXPRCXCAJQYGQ-UHFFFAOYSA-N 1 0 304.482 3.935 50 0 DHAARO C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000056511458 184014480 /nfs/dbraw/zinc/01/44/80/184014480.db2.gz VFPLOZCHNHLBEU-OAHLLOKOSA-N 1 0 322.452 3.891 50 0 DHAARO C[C@@H]([NH2+]Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000057303446 184032788 /nfs/dbraw/zinc/03/27/88/184032788.db2.gz IGDZQGSTRHSCND-OAHLLOKOSA-N 1 0 304.393 3.957 50 0 DHAARO Cc1ccc([C@@H](C(=O)NC2CCCCC2)[NH+]2CCCC2)cc1 ZINC000058012620 184066764 /nfs/dbraw/zinc/06/67/64/184066764.db2.gz IWLNQHMTSAKSQU-SFHVURJKSA-N 1 0 300.446 3.581 50 0 DHAARO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000058160752 184081892 /nfs/dbraw/zinc/08/18/92/184081892.db2.gz GWKFRPFDMSUKOX-BEFAXECRSA-N 1 0 320.436 3.631 50 0 DHAARO CC1(C)CC(NC(=O)NC2CCCCCCC2)CC(C)(C)[NH2+]1 ZINC000058724585 184127063 /nfs/dbraw/zinc/12/70/63/184127063.db2.gz WXZVPUXGSHTMSW-UHFFFAOYSA-N 1 0 309.498 3.708 50 0 DHAARO C[C@@H](CC(F)(F)F)[NH2+]CCc1csc(-c2cccnc2)n1 ZINC000065373794 184330731 /nfs/dbraw/zinc/33/07/31/184330731.db2.gz IHHXUHDMBKMFQY-JTQLQIEISA-N 1 0 315.364 3.678 50 0 DHAARO C/C(=C\c1ccccc1)C[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000065420439 184341068 /nfs/dbraw/zinc/34/10/68/184341068.db2.gz ZUUDZNGJACQFOO-BMRADRMJSA-N 1 0 324.424 3.531 50 0 DHAARO COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000065467037 184349990 /nfs/dbraw/zinc/34/99/90/184349990.db2.gz AWKDUMKNYUHFOY-HNNXBMFYSA-N 1 0 324.424 3.673 50 0 DHAARO CC(=O)c1ccc(C[NH+]2CCC([C@@H](O)CC(C)C)CC2)cc1 ZINC000065399187 184336703 /nfs/dbraw/zinc/33/67/03/184336703.db2.gz IBWMPMPAXOCAIY-IBGZPJMESA-N 1 0 303.446 3.508 50 0 DHAARO Clc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000065622706 184374780 /nfs/dbraw/zinc/37/47/80/184374780.db2.gz BUPHKALEWBLTTM-OAHLLOKOSA-N 1 0 315.848 3.558 50 0 DHAARO CC(C)[NH+]1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=S)N2 ZINC000067172592 184452422 /nfs/dbraw/zinc/45/24/22/184452422.db2.gz SVNZDLOMSIQRDE-UHFFFAOYSA-N 1 0 321.877 3.672 50 0 DHAARO Cc1ccc([C@H](C)[NH2+]C2CCN(CCOC(C)C)CC2)s1 ZINC000157956121 197230548 /nfs/dbraw/zinc/23/05/48/197230548.db2.gz REPOTKGBSUAJIM-HNNXBMFYSA-N 1 0 310.507 3.597 50 0 DHAARO FC(F)Sc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000241160562 256603287 /nfs/dbraw/zinc/60/32/87/256603287.db2.gz JYICKEVLCLBWDX-AWEZNQCLSA-N 1 0 312.429 3.671 50 0 DHAARO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(C(F)(F)F)nc1Cl ZINC000521394533 257240705 /nfs/dbraw/zinc/24/07/05/257240705.db2.gz PJRCCRQYDWQHAA-GUBZILKMSA-N 1 0 322.758 3.829 50 0 DHAARO C[C@@H](CCC(=O)N(C)Cc1ccccc1Cl)[NH+]1CCCC1 ZINC000426507836 257248443 /nfs/dbraw/zinc/24/84/43/257248443.db2.gz GHYCJWIYCNOIFH-AWEZNQCLSA-N 1 0 308.853 3.563 50 0 DHAARO CC[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289375993 131379790 /nfs/dbraw/zinc/37/97/90/131379790.db2.gz BVASVBSMYSHBPN-GOSISDBHSA-N 1 0 313.445 3.652 50 0 DHAARO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000012385110 134506079 /nfs/dbraw/zinc/50/60/79/134506079.db2.gz GTTRUHLJEHMXKG-HNAYVOBHSA-N 1 0 300.446 3.590 50 0 DHAARO CC(C)c1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000020550126 331588114 /nfs/dbraw/zinc/58/81/14/331588114.db2.gz UMPVRZXPUHJBQD-UHFFFAOYSA-N 1 0 320.502 3.962 50 0 DHAARO Cc1c[nH+]ccc1N1CCC(OCc2ccc(F)cc2)CC1 ZINC000192737517 337307333 /nfs/dbraw/zinc/30/73/33/337307333.db2.gz FOEJIDQOEPGVEE-UHFFFAOYSA-N 1 0 300.377 3.715 50 0 DHAARO Cc1cc(-c2nnc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3C)o2)c(C)o1 ZINC000097103346 337382355 /nfs/dbraw/zinc/38/23/55/337382355.db2.gz NPLHIJKKNIZWBC-XHDPSFHLSA-N 1 0 303.406 3.957 50 0 DHAARO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCC3CC3)nc1)CC2 ZINC000131350054 341079822 /nfs/dbraw/zinc/07/98/22/341079822.db2.gz MEIIKZWKCYODKH-GOSISDBHSA-N 1 0 312.388 3.787 50 0 DHAARO CCCSc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000299768914 528831755 /nfs/dbraw/zinc/83/17/55/528831755.db2.gz ZYNVGRMFQXSOPV-CYBMUJFWSA-N 1 0 307.463 3.534 50 0 DHAARO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(Br)s1 ZINC000095968409 563933075 /nfs/dbraw/zinc/93/30/75/563933075.db2.gz NBNASDKABFTIJP-AXFHLTTASA-N 1 0 318.280 3.712 50 0 DHAARO Cc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000000093453 563215897 /nfs/dbraw/zinc/21/58/97/563215897.db2.gz KEZPMEUUQQYNOF-UHFFFAOYSA-N 1 0 319.518 3.899 50 0 DHAARO c1cc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c2s1 ZINC000000116559 563219180 /nfs/dbraw/zinc/21/91/80/563219180.db2.gz YNDAKUSZOZEHBE-UHFFFAOYSA-N 1 0 324.453 3.768 50 0 DHAARO O=C(C[NH2+]C1CCCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000000167612 563226287 /nfs/dbraw/zinc/22/62/87/563226287.db2.gz YDVHZUJZXRAOIC-UHFFFAOYSA-N 1 0 301.217 3.854 50 0 DHAARO [NH3+][C@H](CCc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000000173921 563227736 /nfs/dbraw/zinc/22/77/36/563227736.db2.gz PXQCFNWBPKTEEW-OAHLLOKOSA-N 1 0 303.789 3.744 50 0 DHAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001456778 563284184 /nfs/dbraw/zinc/28/41/84/563284184.db2.gz VNTNOLGODDWLEJ-PBHICJAKSA-N 1 0 320.864 3.677 50 0 DHAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001456775 563284188 /nfs/dbraw/zinc/28/41/88/563284188.db2.gz VNTNOLGODDWLEJ-WMLDXEAASA-N 1 0 320.864 3.677 50 0 DHAARO CCOCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000002178105 563301617 /nfs/dbraw/zinc/30/16/17/563301617.db2.gz SYCYGZBSKBAQQD-UHFFFAOYSA-N 1 0 317.404 3.921 50 0 DHAARO CCOC(=O)CCCC(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000002515539 563305758 /nfs/dbraw/zinc/30/57/58/563305758.db2.gz INWOMDZJHTXXIT-UHFFFAOYSA-N 1 0 317.429 3.589 50 0 DHAARO [NH3+]C[C@@H](CCO[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000034625814 563311298 /nfs/dbraw/zinc/31/12/98/563311298.db2.gz SGVWGQRMFAWWKV-DOMZBBRYSA-N 1 0 318.244 3.969 50 0 DHAARO CC[NH+](CC)CCCOc1ccc(C)cc1Br ZINC000003001249 563320665 /nfs/dbraw/zinc/32/06/65/563320665.db2.gz PMMVYKPNUAQVQH-UHFFFAOYSA-N 1 0 300.240 3.868 50 0 DHAARO O=C(Nc1ncc(C[NH+]2CCCCCC2)s1)c1ccccc1 ZINC000008048356 563344103 /nfs/dbraw/zinc/34/41/03/563344103.db2.gz LYYPZMYCXAGAFQ-UHFFFAOYSA-N 1 0 315.442 3.771 50 0 DHAARO Cc1ccc([C@]2(O)C[N+](c3cccc(C)c3)=C3CCCCN32)cc1 ZINC000002966459 563345197 /nfs/dbraw/zinc/34/51/97/563345197.db2.gz CGUMXROHAWDPNA-OAQYLSRUSA-N 1 0 321.444 3.564 50 0 DHAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474349 563357627 /nfs/dbraw/zinc/35/76/27/563357627.db2.gz KSZZCOCKBIZBTQ-INIZCTEOSA-N 1 0 319.832 3.780 50 0 DHAARO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000011663340 563358933 /nfs/dbraw/zinc/35/89/33/563358933.db2.gz PMZBFNXYHOFBAW-AWEZNQCLSA-N 1 0 319.399 3.543 50 0 DHAARO Fc1ccc(CC[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1F ZINC000012297171 563365568 /nfs/dbraw/zinc/36/55/68/563365568.db2.gz QNUNXGPXVQIVIR-AWEZNQCLSA-N 1 0 305.372 3.533 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012382542 563367544 /nfs/dbraw/zinc/36/75/44/563367544.db2.gz CVANRKNCNGAONP-UHFFFAOYSA-N 1 0 302.462 3.587 50 0 DHAARO CC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000012650422 563372410 /nfs/dbraw/zinc/37/24/10/563372410.db2.gz FYIUUQUPOKIKNI-UHFFFAOYSA-N 1 0 322.452 3.747 50 0 in-vitro DHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1 ZINC000012806196 563374192 /nfs/dbraw/zinc/37/41/92/563374192.db2.gz CNWSNZSSJSLCTJ-SFHVURJKSA-N 1 0 309.413 3.645 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000013326191 563380556 /nfs/dbraw/zinc/38/05/56/563380556.db2.gz HRHGHWRGAVYTOV-UHFFFAOYSA-N 1 0 315.244 3.598 50 0 DHAARO CC(C)[C@]12CC[C@](C)(O1)[C@@H](Oc1cccc(Cl)c1C[NH3+])C2 ZINC000013401042 563381341 /nfs/dbraw/zinc/38/13/41/563381341.db2.gz XDWGFIVVEJQCFN-YESZJQIVSA-N 1 0 309.837 3.914 50 0 DHAARO C[NH+](C)C1(CNC(=O)Nc2ccc(F)cc2)CCCCCC1 ZINC000014136757 563395994 /nfs/dbraw/zinc/39/59/94/563395994.db2.gz CYPOGPRDUNYKFJ-UHFFFAOYSA-N 1 0 307.413 3.602 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+]CCSCc2cccs2)cc1 ZINC000014138469 563396269 /nfs/dbraw/zinc/39/62/69/563396269.db2.gz DQOXYKPMZQELKA-UHFFFAOYSA-N 1 0 320.483 3.730 50 0 DHAARO Cc1oc(-c2ccccc2F)nc1C[N@@H+]1CCCC[C@H]1CCO ZINC000015076057 563406895 /nfs/dbraw/zinc/40/68/95/563406895.db2.gz YNVIRZFPGIWCNP-AWEZNQCLSA-N 1 0 318.392 3.526 50 0 DHAARO CCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027663857 563429355 /nfs/dbraw/zinc/42/93/55/563429355.db2.gz HIDPYNRFYJXCER-INIZCTEOSA-N 1 0 308.853 3.783 50 0 DHAARO CC(C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662522 563429575 /nfs/dbraw/zinc/42/95/75/563429575.db2.gz FLXUPPSIEPRNGJ-OAHLLOKOSA-N 1 0 308.491 3.828 50 0 DHAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000027793174 563430152 /nfs/dbraw/zinc/43/01/52/563430152.db2.gz DORSJNADSFCFJJ-LJQANCHMSA-N 1 0 308.425 3.562 50 0 DHAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1F ZINC000029483688 563434737 /nfs/dbraw/zinc/43/47/37/563434737.db2.gz DVUWCQJHPRPDEH-SFHVURJKSA-N 1 0 312.388 3.692 50 0 DHAARO Cc1ccc(CCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000029689908 563435541 /nfs/dbraw/zinc/43/55/41/563435541.db2.gz HLEYIAZXCACACM-HXUWFJFHSA-N 1 0 324.468 3.655 50 0 DHAARO CCN(CC)[C@@H](C[NH2+]Cc1cccc(F)c1F)c1ccco1 ZINC000032603481 563443525 /nfs/dbraw/zinc/44/35/25/563443525.db2.gz OVJMKMFRBXBGQI-HNNXBMFYSA-N 1 0 308.372 3.731 50 0 DHAARO CCCCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000002151468 563448200 /nfs/dbraw/zinc/44/82/00/563448200.db2.gz BGRBXELRMMVNBC-FUHWJXTLSA-N 1 0 300.446 3.710 50 0 biogenic DHAARO C[C@H]1C[NH+](CCOc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000020167238 563448666 /nfs/dbraw/zinc/44/86/66/563448666.db2.gz NHWONOABSYXUBC-IRXDYDNUSA-N 1 0 311.425 3.842 50 0 DHAARO CCCC[N@H+](Cc1ccccc1)C1CCN(C(=O)OCC)CC1 ZINC000002499336 563449055 /nfs/dbraw/zinc/44/90/55/563449055.db2.gz CWYYVYHZQIXEOE-UHFFFAOYSA-N 1 0 318.461 3.910 50 0 DHAARO Clc1ccc(COCc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC000034928815 563452112 /nfs/dbraw/zinc/45/21/12/563452112.db2.gz UOYBQTFLJTXBFV-UHFFFAOYSA-N 1 0 303.789 3.539 50 0 DHAARO CC(C)[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000037031197 563458288 /nfs/dbraw/zinc/45/82/88/563458288.db2.gz FHQXRTLBKQJZHF-RHSMWYFYSA-N 1 0 302.443 3.652 50 0 DHAARO C[NH+](C)Cc1sc2c(c1NC(=O)c1ccccc1)CCCC2 ZINC000044831197 563462372 /nfs/dbraw/zinc/46/23/72/563462372.db2.gz NKSVVEAZGCZGLB-UHFFFAOYSA-N 1 0 314.454 3.941 50 0 DHAARO CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000071766992 563465762 /nfs/dbraw/zinc/46/57/62/563465762.db2.gz HHSVHCQGHUDCDI-IBGZPJMESA-N 1 0 307.437 3.904 50 0 DHAARO CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@@H]1OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000013656093 563468415 /nfs/dbraw/zinc/46/84/15/563468415.db2.gz IUQYLYYXKZJRJM-YYWYGQEZSA-N 1 0 307.478 3.676 50 0 DHAARO COc1ccccc1[C@H](CC[NH2+]C1CCN(C)CC1)C(C)C ZINC000013684581 563469160 /nfs/dbraw/zinc/46/91/60/563469160.db2.gz FOSREHFWSIFXJJ-QGZVFWFLSA-N 1 0 304.478 3.509 50 0 DHAARO COc1ccc2c(Nc3ccc(NC(C)=O)cc3)cc[nH+]c2c1 ZINC000054202374 563470343 /nfs/dbraw/zinc/47/03/43/563470343.db2.gz DCBMVQBIJAMKSH-UHFFFAOYSA-N 1 0 307.353 3.945 50 0 DHAARO CC(C)C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccn1 ZINC000055088274 563471159 /nfs/dbraw/zinc/47/11/59/563471159.db2.gz RPQMOUUDFPTDKO-UHFFFAOYSA-N 1 0 320.440 3.926 50 0 DHAARO CC[C@@H](C)[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccncc1 ZINC000055166950 563472062 /nfs/dbraw/zinc/47/20/62/563472062.db2.gz AOZFFAPGQSNPFO-CQSZACIVSA-N 1 0 310.401 3.865 50 0 DHAARO CCc1ccc(C[N@@H+](C/C=C/c2ccccc2)CCOC)nc1 ZINC000055224688 563472877 /nfs/dbraw/zinc/47/28/77/563472877.db2.gz MSBNTWVXQQPCJA-JXMROGBWSA-N 1 0 310.441 3.806 50 0 DHAARO Cc1cccc(CN(C(=O)CC[C@@H]2CCC[N@H+](C)C2)C(C)C)c1 ZINC000055360662 563474384 /nfs/dbraw/zinc/47/43/84/563474384.db2.gz PZVCJQOUUUHSDH-SFHVURJKSA-N 1 0 316.489 3.854 50 0 DHAARO Cc1cccc(CN(C(=O)CC[C@H]2CCC[N@H+](C)C2)C(C)C)c1 ZINC000055360664 563474601 /nfs/dbraw/zinc/47/46/01/563474601.db2.gz PZVCJQOUUUHSDH-GOSISDBHSA-N 1 0 316.489 3.854 50 0 DHAARO CC(C)C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccccn1 ZINC000095422976 563477075 /nfs/dbraw/zinc/47/70/75/563477075.db2.gz PWHSZVALJYDNOB-WBVHZDCISA-N 1 0 304.459 3.728 50 0 DHAARO Cc1ccc(Cl)c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000096491516 563485527 /nfs/dbraw/zinc/48/55/27/563485527.db2.gz AUCNKYMJRVVRFD-CQSZACIVSA-N 1 0 321.852 3.598 50 0 DHAARO Cc1c2ccccc2oc1CNc1cc([C@@H]2CCC[NH2+]C2)ncn1 ZINC000067641859 563487886 /nfs/dbraw/zinc/48/78/86/563487886.db2.gz IWCRZYFSPGFSFI-CQSZACIVSA-N 1 0 322.412 3.610 50 0 DHAARO CS[C@@H](C)CC[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067654138 563488905 /nfs/dbraw/zinc/48/89/05/563488905.db2.gz NUEJFWUPPAQKJV-LBPRGKRZSA-N 1 0 307.438 3.789 50 0 DHAARO C[N@H+](Cc1cccc(Cl)c1)Cc1cc2ccccc2[nH]c1=O ZINC000067740368 563489493 /nfs/dbraw/zinc/48/94/93/563489493.db2.gz NNKUEXDBLZEYLG-UHFFFAOYSA-N 1 0 312.800 3.814 50 0 DHAARO C[C@H](Cn1ccnc1)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 ZINC000067770158 563490569 /nfs/dbraw/zinc/49/05/69/563490569.db2.gz QKLHGNATLARTMO-CYBMUJFWSA-N 1 0 312.417 3.500 50 0 DHAARO c1[nH]nc(C2CC[NH+](Cc3cccnc3)CC2)c1-c1ccccc1 ZINC000067803200 563491408 /nfs/dbraw/zinc/49/14/08/563491408.db2.gz DTGMPCJLFCCZCU-UHFFFAOYSA-N 1 0 318.424 3.851 50 0 DHAARO CSC(C)(C)C[C@@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000067847724 563492442 /nfs/dbraw/zinc/49/24/42/563492442.db2.gz ZFGFDMNMPCCKSD-OAHLLOKOSA-N 1 0 321.534 3.556 50 0 DHAARO CSc1ccc(-c2nccn2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000067842323 563492458 /nfs/dbraw/zinc/49/24/58/563492458.db2.gz BFLSXWIEMOYLTB-HNNXBMFYSA-N 1 0 301.459 3.756 50 0 DHAARO Oc1cccc2ccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)nc12 ZINC000067881881 563493500 /nfs/dbraw/zinc/49/35/00/563493500.db2.gz BYMWITQZLUWLNG-QGZVFWFLSA-N 1 0 305.381 3.673 50 0 DHAARO c1ccc2c(c1)[nH]c1c2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000067909995 563493529 /nfs/dbraw/zinc/49/35/29/563493529.db2.gz XWGJOMIDPBQEMP-HRAATJIYSA-N 1 0 323.484 3.791 50 0 DHAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000067983014 563494704 /nfs/dbraw/zinc/49/47/04/563494704.db2.gz AWFAHZDUESCKMH-ZDUSSCGKSA-N 1 0 312.392 3.718 50 0 DHAARO Cc1ccsc1C[N@@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071419187 563499581 /nfs/dbraw/zinc/49/95/81/563499581.db2.gz BHVQJFFUZSUMCL-MRXNPFEDSA-N 1 0 320.502 3.525 50 0 DHAARO COc1ccc2oc(CNc3cc(C[NH+](C)C)ccn3)cc2c1 ZINC000097045297 563504446 /nfs/dbraw/zinc/50/44/46/563504446.db2.gz JVTXUBIPDAEXFK-UHFFFAOYSA-N 1 0 311.385 3.510 50 0 DHAARO CC(=O)c1c(C)oc2ccc(OCC[NH+]3CCCCC3)cc21 ZINC000000034430 563505843 /nfs/dbraw/zinc/50/58/43/563505843.db2.gz DKJFKQHJLMSBNZ-UHFFFAOYSA-N 1 0 301.386 3.809 50 0 DHAARO Cc1nnc(C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)o1 ZINC000097110478 563505916 /nfs/dbraw/zinc/50/59/16/563505916.db2.gz MEXPWVZXGOTMLS-AWEZNQCLSA-N 1 0 307.397 3.688 50 0 DHAARO CC(C)c1ccc(CC[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000097162464 563507749 /nfs/dbraw/zinc/50/77/49/563507749.db2.gz AAAHFLOYYZUAFV-OAHLLOKOSA-N 1 0 312.461 3.631 50 0 DHAARO CC(=O)c1ccc(C[N@H+](C)C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000077391662 563509909 /nfs/dbraw/zinc/50/99/09/563509909.db2.gz GUNWUFMOGFUHQC-LJQANCHMSA-N 1 0 322.452 3.848 50 0 DHAARO C[C@H]([NH2+]Cc1ccnc(SC(C)(C)C)c1)c1cnn(C)c1 ZINC000097234053 563514528 /nfs/dbraw/zinc/51/45/28/563514528.db2.gz IKHHBGOQRHWJSW-LBPRGKRZSA-N 1 0 304.463 3.557 50 0 DHAARO CC(C)OC[C@H](O)C[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000097287385 563515494 /nfs/dbraw/zinc/51/54/94/563515494.db2.gz XAIWLTBHSBMGBQ-HXUWFJFHSA-N 1 0 313.441 3.571 50 0 DHAARO O[C@H](C[NH2+]C1CCCCC1)COc1ccc(Cl)cc1Cl ZINC000000074213 563522643 /nfs/dbraw/zinc/52/26/43/563522643.db2.gz NPMXYYJBTJOJIW-CYBMUJFWSA-N 1 0 318.244 3.655 50 0 DHAARO Oc1ccccc1N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000060755267 563523251 /nfs/dbraw/zinc/52/32/51/563523251.db2.gz MKNFMOCABTYPHS-GOSISDBHSA-N 1 0 308.425 3.592 50 0 DHAARO CCCOc1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008717133 563523400 /nfs/dbraw/zinc/52/34/00/563523400.db2.gz BAVAMAALSDWTFI-UHFFFAOYSA-N 1 0 300.402 3.633 50 0 DHAARO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000178404112 563526308 /nfs/dbraw/zinc/52/63/08/563526308.db2.gz CSCSLHMXLNLJSP-VKJFTORMSA-N 1 0 315.486 3.704 50 0 DHAARO CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccc(SC)c1)C2 ZINC000095354724 563529039 /nfs/dbraw/zinc/52/90/39/563529039.db2.gz CKGJNYXRWFJJQM-DLBZAZTESA-N 1 0 304.503 3.715 50 0 DHAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCCCCCC1 ZINC000095369881 563529780 /nfs/dbraw/zinc/52/97/80/563529780.db2.gz UISYPQINHHXMNN-SFHVURJKSA-N 1 0 300.446 3.560 50 0 DHAARO CC[C@@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000095357564 563529853 /nfs/dbraw/zinc/52/98/53/563529853.db2.gz QNAAMJLVTATMGP-GOSISDBHSA-N 1 0 320.452 3.904 50 0 DHAARO COC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000097609977 563541143 /nfs/dbraw/zinc/54/11/43/563541143.db2.gz KETZQSJOYPLHRL-QGZVFWFLSA-N 1 0 319.836 3.527 50 0 DHAARO Fc1cccc(Cl)c1CN1CCC[C@H](c2ccncn2)C1 ZINC000097785191 563542724 /nfs/dbraw/zinc/54/27/24/563542724.db2.gz DDXKGJPIHCYXFL-LBPRGKRZSA-N 1 0 305.784 3.649 50 0 DHAARO Cc1ncsc1CC[N@@H+](C)Cc1cnc(CC2CCCC2)[nH]1 ZINC000097797306 563542871 /nfs/dbraw/zinc/54/28/71/563542871.db2.gz XHHHAEUHCPAPRN-UHFFFAOYSA-N 1 0 318.490 3.582 50 0 DHAARO COc1ccc2ccccc2c1C[NH2+]CCCOc1ccccn1 ZINC000113396936 563581974 /nfs/dbraw/zinc/58/19/74/563581974.db2.gz HTJHPANNSTYPSP-UHFFFAOYSA-N 1 0 322.408 3.802 50 0 DHAARO Fc1cccc(Cl)c1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113399738 563581986 /nfs/dbraw/zinc/58/19/86/563581986.db2.gz CTYVLILSKBNHGF-UHFFFAOYSA-N 1 0 303.768 3.688 50 0 DHAARO CC(C)(C)c1ccc(CC[C@H]2OC[C@@H](C[NH+]3CCCC3)O2)cc1 ZINC000000313343 563587262 /nfs/dbraw/zinc/58/72/62/563587262.db2.gz CIMCOJULBOGSHT-MOPGFXCFSA-N 1 0 317.473 3.754 50 0 DHAARO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)c3ccncc3)C2)no1 ZINC000257365407 563594976 /nfs/dbraw/zinc/59/49/76/563594976.db2.gz DODPYHNGMGGWHD-UKRRQHHQSA-N 1 0 300.406 3.529 50 0 DHAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CC(c2ccccc2F)C1 ZINC000128087913 563605186 /nfs/dbraw/zinc/60/51/86/563605186.db2.gz CWTVOXZOTDZFIR-QROZZAMVSA-N 1 0 303.377 3.767 50 0 DHAARO COCC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248138231 563606208 /nfs/dbraw/zinc/60/62/08/563606208.db2.gz DKNUJZXVIQJWDI-UHFFFAOYSA-N 1 0 308.425 3.734 50 0 DHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249402910 563609418 /nfs/dbraw/zinc/60/94/18/563609418.db2.gz VMVTWQKWNLVPON-VOAKCMCISA-N 1 0 305.340 3.802 50 0 DHAARO COc1ccc([C@H]2CCC[N@@H+]2CC2CCC(=O)CC2)c(OC)c1 ZINC000253427819 563613679 /nfs/dbraw/zinc/61/36/79/563613679.db2.gz HAOQESUIAYUSIO-GOSISDBHSA-N 1 0 317.429 3.600 50 0 DHAARO CCCc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000001462676 563620810 /nfs/dbraw/zinc/62/08/10/563620810.db2.gz ZSUACPZCTXTOEL-XYJFISCASA-N 1 0 305.462 3.642 50 0 DHAARO Cc1cccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1Cl ZINC000102316980 563659150 /nfs/dbraw/zinc/65/91/50/563659150.db2.gz BGQPHKSYOZJYPI-UHFFFAOYSA-N 1 0 319.836 3.517 50 0 DHAARO Clc1ccc(OCCSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000014196664 563665693 /nfs/dbraw/zinc/66/56/93/563665693.db2.gz OVGUHKDYNWRFGA-OKILXGFUSA-N 1 0 310.850 3.722 50 0 DHAARO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000107495462 563683933 /nfs/dbraw/zinc/68/39/33/563683933.db2.gz WJDABNWSGRIIQQ-UKRRQHHQSA-N 1 0 318.852 3.892 50 0 DHAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1cncc(F)c1 ZINC000108487729 563688771 /nfs/dbraw/zinc/68/87/71/563688771.db2.gz XQELPOJZVOKLSL-QFSBIZTOSA-N 1 0 306.356 3.523 50 0 DHAARO c1cc([C@H]2CCC[N@H+]2CCOCCOc2ccccc2)cs1 ZINC000048249152 563694352 /nfs/dbraw/zinc/69/43/52/563694352.db2.gz ZYUAEPUCSBZUAR-GOSISDBHSA-N 1 0 317.454 3.981 50 0 DHAARO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccc2ccccc2c1 ZINC000049581182 563702481 /nfs/dbraw/zinc/70/24/81/563702481.db2.gz WZIIWJXIRRIQAP-OAHLLOKOSA-N 1 0 322.408 3.742 50 0 DHAARO CC[C@H](NCc1nc2c(C)cccc2c(=O)[nH]1)c1ccc(C)cc1 ZINC000049609472 563702499 /nfs/dbraw/zinc/70/24/99/563702499.db2.gz HAAUAMKAQZHZPE-KRWDZBQOSA-N 1 0 321.424 3.781 50 0 DHAARO CCn1ccc2ccc(C[N@@H+]3CCc4[nH]nc(C5CC5)c4C3)cc21 ZINC000215262470 563703936 /nfs/dbraw/zinc/70/39/36/563703936.db2.gz IMSHAJHLSREJDH-UHFFFAOYSA-N 1 0 320.440 3.820 50 0 DHAARO Clc1ccc(OC2CCN(Cc3cscn3)CC2)cc1 ZINC000215415517 563705146 /nfs/dbraw/zinc/70/51/46/563705146.db2.gz HQPQWQDQMDEWTG-UHFFFAOYSA-N 1 0 308.834 3.840 50 0 DHAARO c1cc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000215327692 563705772 /nfs/dbraw/zinc/70/57/72/563705772.db2.gz WERMOKIARRFYKK-HNNXBMFYSA-N 1 0 324.453 3.913 50 0 DHAARO Cc1c2ccccc2oc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000215585531 563706184 /nfs/dbraw/zinc/70/61/84/563706184.db2.gz CDJHLZGUQUMXRH-OAHLLOKOSA-N 1 0 309.413 3.854 50 0 DHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000225417032 563754805 /nfs/dbraw/zinc/75/48/05/563754805.db2.gz ODZOATBUMWMBEV-PKOBYXMFSA-N 1 0 300.446 3.518 50 0 DHAARO CC[NH+](CC)C[C@@H](O)Cn1c(C)c(C)c2cccc(Cl)c21 ZINC000012421914 563774437 /nfs/dbraw/zinc/77/44/37/563774437.db2.gz NWDPRMHVVATIQD-CQSZACIVSA-N 1 0 308.853 3.614 50 0 DHAARO C[C@H](SCC[NH+](C)C)c1nnc(-c2cccc(F)c2)s1 ZINC000241644279 563777539 /nfs/dbraw/zinc/77/75/39/563777539.db2.gz PPRFYQMFMPYVFU-JTQLQIEISA-N 1 0 311.451 3.700 50 0 DHAARO CSc1ccccc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025329184 563787365 /nfs/dbraw/zinc/78/73/65/563787365.db2.gz AZYCZCFSABPKHQ-CQSZACIVSA-N 1 0 320.483 3.503 50 0 DHAARO Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](C[NH3+])C2 ZINC000299789268 563806314 /nfs/dbraw/zinc/80/63/14/563806314.db2.gz YOQNXHJCSCNHSC-KRWDZBQOSA-N 1 0 304.393 3.781 50 0 DHAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000012676659 563809320 /nfs/dbraw/zinc/80/93/20/563809320.db2.gz VTEDKHOLAQXKLU-AUUYWEPGSA-N 1 0 324.424 3.763 50 0 DHAARO CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CC[NH+](C)C)O2 ZINC000000004886 563820081 /nfs/dbraw/zinc/82/00/81/563820081.db2.gz DNRCGFUTOSMVEM-LJQANCHMSA-N 1 0 319.445 3.573 50 0 DHAARO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H](C)c4cnccn4)C3)nc2c1 ZINC000184701770 563820642 /nfs/dbraw/zinc/82/06/42/563820642.db2.gz KBESNSDOKGJHPN-GJZGRUSLSA-N 1 0 321.428 3.602 50 0 DHAARO CC(C)=C[C@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1(C)C ZINC000084575478 563827759 /nfs/dbraw/zinc/82/77/59/563827759.db2.gz WVGWJHYRHCAOQV-ZWKOTPCHSA-N 1 0 320.521 3.804 50 0 DHAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000012776895 563829762 /nfs/dbraw/zinc/82/97/62/563829762.db2.gz CICJVJJVVVOJLE-BZNIZROVSA-N 1 0 316.351 3.569 50 0 DHAARO CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CCCC1 ZINC000084774807 563831223 /nfs/dbraw/zinc/83/12/23/563831223.db2.gz YIDDMFIOMJKUMS-UHFFFAOYSA-N 1 0 311.385 3.846 50 0 DHAARO O[C@@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000001470097 563838290 /nfs/dbraw/zinc/83/82/90/563838290.db2.gz OLCNTOSCOMSZAV-LJQANCHMSA-N 1 0 317.473 3.960 50 0 DHAARO C[NH+](C)CCN(C(=O)Nc1ccccc1F)C1CCCCC1 ZINC000075110581 563860443 /nfs/dbraw/zinc/86/04/43/563860443.db2.gz VXHDFIIPHNFMIM-UHFFFAOYSA-N 1 0 307.413 3.554 50 0 DHAARO Cc1ccc([C@](C)(O)C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000130063471 563866365 /nfs/dbraw/zinc/86/63/65/563866365.db2.gz UPACQNHDQQWHFH-SGMGOOAPSA-N 1 0 305.340 3.506 50 0 DHAARO Fc1cc(Br)ccc1OCC[NH2+]C1CCCCC1 ZINC000053586216 563879162 /nfs/dbraw/zinc/87/91/62/563879162.db2.gz CBXQJIDDEVZJRZ-UHFFFAOYSA-N 1 0 316.214 3.889 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccccc1 ZINC000239302927 563879738 /nfs/dbraw/zinc/87/97/38/563879738.db2.gz FUQHGKVGEAGGGG-OAGGEKHMSA-N 1 0 308.425 3.704 50 0 DHAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000241707028 563880835 /nfs/dbraw/zinc/88/08/35/563880835.db2.gz QMCFYAZVLOMJEV-CKFHNAJUSA-N 1 0 324.424 3.860 50 0 DHAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1 ZINC000036099193 563893717 /nfs/dbraw/zinc/89/37/17/563893717.db2.gz SCDBDLUOOGFMNO-QGZVFWFLSA-N 1 0 319.470 3.646 50 0 DHAARO CCCNC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000036395706 563898839 /nfs/dbraw/zinc/89/88/39/563898839.db2.gz XYCGMCBKDQUHGV-QFBILLFUSA-N 1 0 310.441 3.589 50 0 DHAARO CCCCC[C@@H](C)[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000006940265 563900165 /nfs/dbraw/zinc/90/01/65/563900165.db2.gz LFWAWRNAGYWOIA-GDBMZVCRSA-N 1 0 313.869 3.776 50 0 DHAARO Cc1ccccc1-c1cccc(C[NH2+]C[C@]2(O)CCSC2)c1 ZINC000170015787 563902572 /nfs/dbraw/zinc/90/25/72/563902572.db2.gz JGHRIKIHKORILC-LJQANCHMSA-N 1 0 313.466 3.620 50 0 DHAARO Cc1cccc(C)c1NC(=S)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000036847522 563904657 /nfs/dbraw/zinc/90/46/57/563904657.db2.gz DUDCZGJOECMPLN-HOTGVXAUSA-N 1 0 319.518 3.853 50 0 DHAARO Clc1cc(C[NH2+]CCc2cccs2)cc2c1OCCCO2 ZINC000037301286 563908682 /nfs/dbraw/zinc/90/86/82/563908682.db2.gz IMZWXNSZXWBFFX-UHFFFAOYSA-N 1 0 323.845 3.895 50 0 DHAARO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000170626895 563908845 /nfs/dbraw/zinc/90/88/45/563908845.db2.gz VAHGGHDEELJVNP-HKUYNNGSSA-N 1 0 304.478 3.600 50 0 DHAARO CC(C)[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1 ZINC000089801779 563911573 /nfs/dbraw/zinc/91/15/73/563911573.db2.gz PCAIFJUIJXCDFA-FQEVSTJZSA-N 1 0 320.440 3.813 50 0 DHAARO c1ccc2c(c1)SCCC[C@@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000089857774 563911619 /nfs/dbraw/zinc/91/16/19/563911619.db2.gz TYGHMEATAXXEOX-KRWDZBQOSA-N 1 0 302.487 3.830 50 0 DHAARO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000076059617 563912232 /nfs/dbraw/zinc/91/22/32/563912232.db2.gz QZKKPRVLOMBTET-AAEUAGOBSA-N 1 0 324.350 3.764 50 0 DHAARO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)cc1C ZINC000027134467 563913906 /nfs/dbraw/zinc/91/39/06/563913906.db2.gz NXNUNTBCTJCGTI-HOTGVXAUSA-N 1 0 304.478 3.847 50 0 DHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1 ZINC000007737655 563918611 /nfs/dbraw/zinc/91/86/11/563918611.db2.gz SHNVVTVMFKEPPL-INIZCTEOSA-N 1 0 324.424 3.693 50 0 DHAARO O=C(NCc1ccoc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000047852366 563923954 /nfs/dbraw/zinc/92/39/54/563923954.db2.gz LQIHLMRFWVTHHR-UHFFFAOYSA-N 1 0 313.401 3.587 50 0 DHAARO c1ccc2oc([C@@H]3CCC[N@H+](C4CCSCC4)C3)nc2c1 ZINC000092899032 563924146 /nfs/dbraw/zinc/92/41/46/563924146.db2.gz BOCBGEAFVYYFSV-CYBMUJFWSA-N 1 0 302.443 3.903 50 0 DHAARO CC[C@@H]([NH2+]C1CCN(c2ccccc2F)CC1)c1nc(C)c[nH]1 ZINC000584889361 563925574 /nfs/dbraw/zinc/92/55/74/563925574.db2.gz JKLDNYWGACNIIU-MRXNPFEDSA-N 1 0 316.424 3.567 50 0 DHAARO CC1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCCC4)CC1 ZINC000002439121 563928645 /nfs/dbraw/zinc/92/86/45/563928645.db2.gz PJXCYAXLHCQAPZ-UHFFFAOYSA-N 1 0 311.425 3.904 50 0 biogenic DHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000078897188 563930157 /nfs/dbraw/zinc/93/01/57/563930157.db2.gz WUUXTDPQBHAPPB-KXBFYZLASA-N 1 0 310.441 3.576 50 0 DHAARO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(O)c(F)c1)CCCO2 ZINC000095422885 563931411 /nfs/dbraw/zinc/93/14/11/563931411.db2.gz QCSBOGZHVZDIJQ-MRXNPFEDSA-N 1 0 317.360 3.543 50 0 DHAARO C[C@@H](CC1CC1)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000095962414 563932585 /nfs/dbraw/zinc/93/25/85/563932585.db2.gz HNWHHWQPFVWOJM-WFASDCNBSA-N 1 0 306.837 3.614 50 0 DHAARO CC(C)(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000095971218 563933402 /nfs/dbraw/zinc/93/34/02/563933402.db2.gz QVPDCZOXGKVIAB-UHFFFAOYSA-N 1 0 320.452 3.529 50 0 DHAARO C[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000095971500 563933464 /nfs/dbraw/zinc/93/34/64/563933464.db2.gz GJVIRSGHYCISFZ-CVEARBPZSA-N 1 0 314.816 3.802 50 0 DHAARO CS[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000096478665 563937459 /nfs/dbraw/zinc/93/74/59/563937459.db2.gz HQJSCWFTKZSBSR-QZTJIDSGSA-N 1 0 304.503 3.525 50 0 DHAARO CCc1ccsc1C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000096479225 563937473 /nfs/dbraw/zinc/93/74/73/563937473.db2.gz XXFCVBOWKNWSQX-ODXCJYRJSA-N 1 0 307.484 3.899 50 0 DHAARO C[C@@H](NC1(c2ccccc2Br)CC1)c1cnccn1 ZINC000225552590 563938112 /nfs/dbraw/zinc/93/81/12/563938112.db2.gz LGOGGVUBIIFLTP-LLVKDONJSA-N 1 0 318.218 3.579 50 0 DHAARO C[C@@H](Oc1cccnc1NCc1cncnc1)c1ccccc1 ZINC000162408921 563940938 /nfs/dbraw/zinc/94/09/38/563940938.db2.gz ZQWQZKBSQOAOCI-CQSZACIVSA-N 1 0 306.369 3.624 50 0 DHAARO CC[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cccc(C)n1 ZINC000670434633 563943331 /nfs/dbraw/zinc/94/33/31/563943331.db2.gz BCICNQWGVJVRLI-SFHVURJKSA-N 1 0 313.445 3.688 50 0 DHAARO Cc1ccccc1-c1ncc(CN2CCc3nocc3C2)s1 ZINC000670440253 563943720 /nfs/dbraw/zinc/94/37/20/563943720.db2.gz VXRGDHXEPMPUID-UHFFFAOYSA-N 1 0 311.410 3.665 50 0 DHAARO COc1cccc(NC(=O)[C@@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000003386159 563943928 /nfs/dbraw/zinc/94/39/28/563943928.db2.gz IDMZMCJIJIJDQE-IBGZPJMESA-N 1 0 324.424 3.907 50 0 DHAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229314043 563945187 /nfs/dbraw/zinc/94/51/87/563945187.db2.gz QZKKPRVLOMBTET-DGCLKSJQSA-N 1 0 324.350 3.764 50 0 DHAARO CC[N@@H+]1CCC[C@H](c2nc(C3CC3)nn2CCc2ccccc2)C1 ZINC000670467776 563946787 /nfs/dbraw/zinc/94/67/87/563946787.db2.gz RMFBVJJUMXZNEB-SFHVURJKSA-N 1 0 324.472 3.598 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000008328275 563948015 /nfs/dbraw/zinc/94/80/15/563948015.db2.gz OSOBRUNZSHORGS-KRWDZBQOSA-N 1 0 312.438 3.972 50 0 DHAARO C[C@H]([C@H](C)[NH2+]Cc1cnc(-c2ccccc2)s1)n1cccn1 ZINC000069418065 563952779 /nfs/dbraw/zinc/95/27/79/563952779.db2.gz ZLZVEJZFASRVEB-UONOGXRCSA-N 1 0 312.442 3.746 50 0 DHAARO Cc1ccc(/C=C/C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000069413820 563952802 /nfs/dbraw/zinc/95/28/02/563952802.db2.gz JEAKQOQKPULJHX-FLVLSHQESA-N 1 0 314.473 3.635 50 0 DHAARO CCc1ccccc1NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000069417865 563952861 /nfs/dbraw/zinc/95/28/61/563952861.db2.gz ROVIZUNMWDHGJW-DNVCBOLYSA-N 1 0 317.477 3.881 50 0 DHAARO Cc1cnn(C[C@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000069442868 563952887 /nfs/dbraw/zinc/95/28/87/563952887.db2.gz ZPLGRWNBHCQLTH-LBPRGKRZSA-N 1 0 318.471 3.555 50 0 DHAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cc(F)cc3cccnc32)c1 ZINC000069570753 563953542 /nfs/dbraw/zinc/95/35/42/563953542.db2.gz QTBNBDHRUMGYAG-KBPBESRZSA-N 1 0 312.392 3.618 50 0 DHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccsc2)CC1 ZINC000069774371 563954523 /nfs/dbraw/zinc/95/45/23/563954523.db2.gz JTVCSHQGFYPTHW-UHFFFAOYSA-N 1 0 315.442 3.507 50 0 DHAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000071831367 563959045 /nfs/dbraw/zinc/95/90/45/563959045.db2.gz WEFCMMMGVBFCMX-HNNXBMFYSA-N 1 0 324.424 3.673 50 0 DHAARO CSc1ccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)cc1 ZINC000077404877 563960756 /nfs/dbraw/zinc/96/07/56/563960756.db2.gz FGLIFOVFUUGLFW-SFHVURJKSA-N 1 0 324.453 3.531 50 0 DHAARO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cccc3cccnc32)C1 ZINC000411920388 563962020 /nfs/dbraw/zinc/96/20/20/563962020.db2.gz CELAEBXJLGSYET-RTBURBONSA-N 1 0 304.393 3.543 50 0 DHAARO COc1ccc2ccccc2c1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000051188173 568414724 /nfs/dbraw/zinc/41/47/24/568414724.db2.gz LUGLBYZCRVTAGS-PZJWPPBQSA-N 1 0 319.404 3.596 50 0 DHAARO CCCc1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)o1 ZINC000215697404 568416032 /nfs/dbraw/zinc/41/60/32/568416032.db2.gz XMTVZMZRYMPAFG-UHFFFAOYSA-N 1 0 317.404 3.855 50 0 DHAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1ccccc1-n1cccn1 ZINC000221702717 568416574 /nfs/dbraw/zinc/41/65/74/568416574.db2.gz HQKWLGOITZYIKZ-DLBZAZTESA-N 1 0 301.459 3.588 50 0 DHAARO Cc1c2cc(F)ccc2sc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000071822616 568419852 /nfs/dbraw/zinc/41/98/52/568419852.db2.gz VWBHUBCDNHLNJS-UHFFFAOYSA-N 1 0 320.433 3.515 50 0 DHAARO O=C(Nc1cccc(C[NH2+]Cc2ccccc2)c1)c1ccncc1 ZINC000055171861 568421903 /nfs/dbraw/zinc/42/19/03/568421903.db2.gz OYINOQZZEMFZMD-UHFFFAOYSA-N 1 0 317.392 3.624 50 0 DHAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000072298434 1013596095 /nfs/dbraw/zinc/59/60/95/1013596095.db2.gz VHGZHRRKPINIOV-CQSZACIVSA-N 1 0 318.490 3.824 50 0 DHAARO Cn1cncc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC23CCCC3)CCO1 ZINC000340378360 1013880916 /nfs/dbraw/zinc/88/09/16/1013880916.db2.gz SAIRNAOXYVMUPF-SZMVWBNQSA-N 1 0 317.477 3.733 50 0 DHAARO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1cnn(C(C)C)c1 ZINC000341393364 1016838316 /nfs/dbraw/zinc/83/83/16/1016838316.db2.gz LTCWJKICBRMZPD-QGZVFWFLSA-N 1 0 313.445 3.682 50 0 DHAARO C[C@@H](C1CC1)[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000192906404 1032513716 /nfs/dbraw/zinc/51/37/16/1032513716.db2.gz FUWWERKIUMNCGG-NSHDSACASA-N 1 0 317.458 3.907 50 0 DHAARO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 ZINC000192915141 1032514244 /nfs/dbraw/zinc/51/42/44/1032514244.db2.gz OLTSSIOJTGJKFO-CYBMUJFWSA-N 1 0 308.381 3.790 50 0 DHAARO CC1(C)C[C@@H](C[NH2+]CC2(N3CCCCC3)CCCC2)CCO1 ZINC000952860704 1032664168 /nfs/dbraw/zinc/66/41/68/1032664168.db2.gz SGJYEYNVDTXLMX-KRWDZBQOSA-N 1 0 308.510 3.580 50 0 DHAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000952862962 1032664715 /nfs/dbraw/zinc/66/47/15/1032664715.db2.gz SYJAULJMVKXSOR-MRXNPFEDSA-N 1 0 304.434 3.641 50 0 DHAARO COc1ccccc1-c1noc(C2(C[NH+](C)C)CCCCC2)n1 ZINC000952877757 1032669212 /nfs/dbraw/zinc/66/92/12/1032669212.db2.gz VARJFACKGCQYEK-UHFFFAOYSA-N 1 0 315.417 3.509 50 0 DHAARO CC(C)[NH2+]C1CCN([C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000952883126 1032673158 /nfs/dbraw/zinc/67/31/58/1032673158.db2.gz WWSDVYKLXFXORW-INIZCTEOSA-N 1 0 307.869 3.575 50 0 DHAARO COCC1(C[NH2+]Cc2c[nH]nc2-c2cc(C)ccc2C)CCC1 ZINC000952968060 1032678494 /nfs/dbraw/zinc/67/84/94/1032678494.db2.gz NRXFRMCJPSZQEW-UHFFFAOYSA-N 1 0 313.445 3.600 50 0 DHAARO C[C@@H]([NH2+]Cc1ccc(Sc2nncn2C)o1)C1=CCCCC1 ZINC000952980326 1032680020 /nfs/dbraw/zinc/68/00/20/1032680020.db2.gz ZGAMWUCXNRHTPT-GFCCVEGCSA-N 1 0 318.446 3.538 50 0 DHAARO CC(C)Oc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000341988286 1017444335 /nfs/dbraw/zinc/44/43/35/1017444335.db2.gz IJBWEXQZMWOZOI-UHFFFAOYSA-N 1 0 303.446 3.866 50 0 DHAARO c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)n2)nc1 ZINC000015063873 1018081831 /nfs/dbraw/zinc/08/18/31/1018081831.db2.gz ODUFEVNRAJCBJQ-OAHLLOKOSA-N 1 0 312.417 3.534 50 0 DHAARO Clc1cnc(C2CCN(Cc3ncccc3Cl)CC2)nc1 ZINC000528533335 1019048765 /nfs/dbraw/zinc/04/87/65/1019048765.db2.gz JFOSDXFVVHYNTN-UHFFFAOYSA-N 1 0 323.227 3.558 50 0 DHAARO CCC[C@H]([NH2+][C@H]1CCO[C@@H](c2cncn2C)C1)C1CCCC1 ZINC000449263633 1019364731 /nfs/dbraw/zinc/36/47/31/1019364731.db2.gz LSTOUDHKDYIDFZ-XYJFISCASA-N 1 0 305.466 3.589 50 0 DHAARO OC[C@]1(CCCc2ccccc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000012297529 1020035380 /nfs/dbraw/zinc/03/53/80/1020035380.db2.gz CCIBJXNQIPMCQK-OAQYLSRUSA-N 1 0 324.468 3.679 50 0 DHAARO Cc1cccc(CN2CC[C@H]([NH2+]C3CCCCC3)CCC2=O)c1 ZINC000012328360 1020078041 /nfs/dbraw/zinc/07/80/41/1020078041.db2.gz BJMXGBOYUXOYAU-LJQANCHMSA-N 1 0 314.473 3.798 50 0 DHAARO C[C@@H]([NH2+]C1CCN(C(=O)c2cccs2)CC1)C1=CCCCC1 ZINC000820723413 1020203985 /nfs/dbraw/zinc/20/39/85/1020203985.db2.gz ZFKBRVSNERFRGG-CQSZACIVSA-N 1 0 318.486 3.831 50 0 DHAARO Cc1cc2cc(NC(=O)CN(C)Cc3ccccc3)ccc2o1 ZINC000823712732 1020444208 /nfs/dbraw/zinc/44/42/08/1020444208.db2.gz MQAXBZZITUJCRX-UHFFFAOYSA-N 1 0 308.381 3.812 50 0 DHAARO COCCC1(C[NH2+][C@H]2CCCc3c(OC)cccc32)CCC1 ZINC000194915298 1020632746 /nfs/dbraw/zinc/63/27/46/1020632746.db2.gz OFSQPZQHIZFZPT-KRWDZBQOSA-N 1 0 303.446 3.869 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000581805506 1020911175 /nfs/dbraw/zinc/91/11/75/1020911175.db2.gz AYVZHVXTGYNXDJ-AWEZNQCLSA-N 1 0 315.442 3.608 50 0 DHAARO Cc1cnc(C[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575544973 1020973345 /nfs/dbraw/zinc/97/33/45/1020973345.db2.gz DEZNDDSABGEEMS-QGZVFWFLSA-N 1 0 315.436 3.976 50 0 DHAARO CCC(CC)C[N@@H+]1CC[C@H](n2c(C)cnc2C2CCOCC2)C1 ZINC000575548000 1020975653 /nfs/dbraw/zinc/97/56/53/1020975653.db2.gz DZMNOUBNEDUIRJ-SFHVURJKSA-N 1 0 319.493 3.769 50 0 DHAARO Cc1cc(OCCCCC[NH+]2CCOCC2)cc(C)c1Cl ZINC000023634139 1021124034 /nfs/dbraw/zinc/12/40/34/1021124034.db2.gz JLINGZDRRCMALL-UHFFFAOYSA-N 1 0 311.853 3.838 50 0 DHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)c2ccsc2)CC1 ZINC000581787958 1021834608 /nfs/dbraw/zinc/83/46/08/1021834608.db2.gz LNYINWVNSTXNMK-QGZVFWFLSA-N 1 0 320.502 3.865 50 0 DHAARO C[NH+]1CCC(Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1 ZINC000581805946 1021846899 /nfs/dbraw/zinc/84/68/99/1021846899.db2.gz OYQAHILRDZDTIR-UHFFFAOYSA-N 1 0 314.473 3.633 50 0 DHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccccc1 ZINC000048367727 1023742906 /nfs/dbraw/zinc/74/29/06/1023742906.db2.gz IHYQDRYYGZADGN-INIZCTEOSA-N 1 0 300.427 3.914 50 0 DHAARO COc1ccc(CC[N@H+](C)C/C=C/c2ccccc2)cc1OC ZINC000004988823 1024161946 /nfs/dbraw/zinc/16/19/46/1024161946.db2.gz RTZFYMJDTIHGPH-JXMROGBWSA-N 1 0 311.425 3.892 50 0 DHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccncc1Cl ZINC000317740456 1024624318 /nfs/dbraw/zinc/62/43/18/1024624318.db2.gz PZNFONCUIHOLIQ-UHFFFAOYSA-N 1 0 315.804 3.583 50 0 DHAARO CC(C)[NH+]1CCC(c2nc(-c3nccc4ccccc43)no2)CC1 ZINC000888098433 1024701839 /nfs/dbraw/zinc/70/18/39/1024701839.db2.gz KYKCZSOIWUOLMY-UHFFFAOYSA-N 1 0 322.412 3.873 50 0 DHAARO Cc1cncc(C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)c1 ZINC000123126216 1025016028 /nfs/dbraw/zinc/01/60/28/1025016028.db2.gz YULFZPCDKKZACS-UHFFFAOYSA-N 1 0 300.789 3.609 50 0 DHAARO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cccc(OCCO)c1 ZINC000055035885 1025529696 /nfs/dbraw/zinc/52/96/96/1025529696.db2.gz DVZIGLQEMIWXOT-HNNXBMFYSA-N 1 0 319.470 3.920 50 0 DHAARO Cc1ccc(CNc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)s1 ZINC000243957178 1025646545 /nfs/dbraw/zinc/64/65/45/1025646545.db2.gz CHDSOJUMGCOGKT-JOCQHMNTSA-N 1 0 314.458 3.541 50 0 DHAARO Cn1c2ccccc2cc(C[N@@H+]2CCC[C@H]2c2ccccc2)c1=O ZINC000252488382 1026158736 /nfs/dbraw/zinc/15/87/36/1026158736.db2.gz IQTDTUFHXANVTQ-FQEVSTJZSA-N 1 0 318.420 3.876 50 0 DHAARO Cc1cccc2nc(C3CC[NH+](Cc4ncccc4O)CC3)oc21 ZINC000585084553 1029661465 /nfs/dbraw/zinc/66/14/65/1029661465.db2.gz ULIWBWGRLUUZPU-UHFFFAOYSA-N 1 0 323.396 3.616 50 0 DHAARO CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000630061014 1031605291 /nfs/dbraw/zinc/60/52/91/1031605291.db2.gz VTUFEUYOEULELE-VXIBKDFQSA-N 1 0 317.477 3.612 50 0 DHAARO Cc1cc(F)ccc1-c1ccc(C[N@H+](C)C[C@@H](O)C2CC2)o1 ZINC000809751455 1033666050 /nfs/dbraw/zinc/66/60/50/1033666050.db2.gz HWSULORIMGRSQV-QGZVFWFLSA-N 1 0 303.377 3.597 50 0 DHAARO Cc1cc(C)c(C)c(OCCOCC[NH2+]Cc2ccccc2)c1 ZINC000002822005 1037224070 /nfs/dbraw/zinc/22/40/70/1037224070.db2.gz GSKHOQBJOCBFOO-UHFFFAOYSA-N 1 0 313.441 3.797 50 0 DHAARO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000170639917 1037779475 /nfs/dbraw/zinc/77/94/75/1037779475.db2.gz KPASLKOVPMPANV-CGZBRXJRSA-N 1 0 306.494 3.726 50 0 DHAARO CC1(C)Cc2cccc(C[N@@H+]3CCC[C@]3(C)CCCO)c2O1 ZINC000349125531 1038082133 /nfs/dbraw/zinc/08/21/33/1038082133.db2.gz DZMAXIYBKMOXHA-LJQANCHMSA-N 1 0 303.446 3.527 50 0 DHAARO Cc1noc([C@H]2C[N@H+](CCc3ccccc3)CC23CCCC3)n1 ZINC000257174227 1040661870 /nfs/dbraw/zinc/66/18/70/1040661870.db2.gz DPXJYHAJMJTQEX-QGZVFWFLSA-N 1 0 311.429 3.580 50 0 DHAARO Cc1cc(C)n2c(C[NH2+][C@H](C)c3cccc(Cl)c3)cnc2n1 ZINC000078998799 185144066 /nfs/dbraw/zinc/14/40/66/185144066.db2.gz VWECVNIRQXOJJD-CYBMUJFWSA-N 1 0 314.820 3.850 50 0 DHAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CC)c1ccccc1 ZINC000089948730 185270776 /nfs/dbraw/zinc/27/07/76/185270776.db2.gz VIWZZVRNMLIZDL-ZYSHUDEJSA-N 1 0 314.473 3.764 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H](CC)C1 ZINC000089949004 185271103 /nfs/dbraw/zinc/27/11/03/185271103.db2.gz MYISRYVKJWFWIP-FXAWDEMLSA-N 1 0 324.468 3.967 50 0 DHAARO CC(C)C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccccn1 ZINC000090542101 185301975 /nfs/dbraw/zinc/30/19/75/185301975.db2.gz HRWWUTPLMCKERL-RYQLBKOJSA-N 1 0 320.502 3.813 50 0 DHAARO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000181371584 199287293 /nfs/dbraw/zinc/28/72/93/199287293.db2.gz XBDHQSHURZDLTG-MRXNPFEDSA-N 1 0 304.482 3.873 50 0 DHAARO c1cc2c(s1)CCC[C@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000095419767 185360184 /nfs/dbraw/zinc/36/01/84/185360184.db2.gz DQCIZZWITCJFQV-QGZVFWFLSA-N 1 0 324.453 3.555 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc([S@](C)=O)cc1 ZINC000095421143 185360305 /nfs/dbraw/zinc/36/03/05/185360305.db2.gz BBRREWZPCAPMSZ-IUIBJCPJSA-N 1 0 317.429 3.901 50 0 DHAARO Cc1ccc(C[NH+](C)C)cc1NCc1nc2ccccc2n1C ZINC000095429320 185362516 /nfs/dbraw/zinc/36/25/16/185362516.db2.gz YPCMJLGMKWMFSY-UHFFFAOYSA-N 1 0 308.429 3.555 50 0 DHAARO Cc1csc(CNc2cccc(OCC[NH+]3CCCC3)c2)n1 ZINC000095429036 185362545 /nfs/dbraw/zinc/36/25/45/185362545.db2.gz QNVRWJWFZLNGHH-UHFFFAOYSA-N 1 0 317.458 3.538 50 0 DHAARO CNC(=O)c1cccc(C[NH2+][C@H](C)c2oc3ccccc3c2C)c1 ZINC000095420954 185360621 /nfs/dbraw/zinc/36/06/21/185360621.db2.gz AANAPKDVBKEAFZ-CQSZACIVSA-N 1 0 322.408 3.952 50 0 DHAARO Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3cnccn3)cs2)cc1 ZINC000095421682 185360736 /nfs/dbraw/zinc/36/07/36/185360736.db2.gz UWHBVMKDLUESQQ-CQSZACIVSA-N 1 0 324.453 3.802 50 0 DHAARO C[C@H]1C[C@@H](Nc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000095452118 185369268 /nfs/dbraw/zinc/36/92/68/185369268.db2.gz SGVXBJWPYAYGBX-MAUKXSAKSA-N 1 0 324.424 3.533 50 0 DHAARO Cc1c(C[NH2+][C@@H]2CCCc3ccc(OC(C)C)cc32)cnn1C ZINC000095440176 185366097 /nfs/dbraw/zinc/36/60/97/185366097.db2.gz GPAWHYWNWJMJTE-LJQANCHMSA-N 1 0 313.445 3.683 50 0 DHAARO C[C@H](C[C@H](C)[NH2+]CCc1ccccc1F)NC(=O)OC(C)(C)C ZINC000095455499 185369810 /nfs/dbraw/zinc/36/98/10/185369810.db2.gz OEFKDZZTXCQPOH-UONOGXRCSA-N 1 0 324.440 3.650 50 0 DHAARO CC[N@H+](CCC1CCN(C(=O)C2CC=CC2)CC1)CC(C)C ZINC000095459637 185370666 /nfs/dbraw/zinc/37/06/66/185370666.db2.gz XNELUHJMHSKZOZ-UHFFFAOYSA-N 1 0 306.494 3.559 50 0 DHAARO Clc1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1Cl ZINC000095459517 185370703 /nfs/dbraw/zinc/37/07/03/185370703.db2.gz WPYXOBZUBNQDCK-LBPRGKRZSA-N 1 0 316.228 3.769 50 0 DHAARO COC(=O)CC1([NH2+]C[C@@H](C)c2ccc(OC)cc2)CCCCC1 ZINC000095463718 185371353 /nfs/dbraw/zinc/37/13/53/185371353.db2.gz DOGQGAJCKQCJQW-OAHLLOKOSA-N 1 0 319.445 3.654 50 0 DHAARO CCn1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)c(C)n1 ZINC000071498216 190985781 /nfs/dbraw/zinc/98/57/81/190985781.db2.gz YGVGNRUUISRXPO-QGZVFWFLSA-N 1 0 313.445 3.659 50 0 DHAARO CC(C)[C@H]1CN(c2cnc3ccccc3n2)CCC[N@@H+]1CC1CC1 ZINC000071760446 191026113 /nfs/dbraw/zinc/02/61/13/191026113.db2.gz UBNQHWFKLNNGCV-LJQANCHMSA-N 1 0 324.472 3.577 50 0 DHAARO Cc1noc(C[N@@H+]2CCC[C@H]2Cc2cccc3ccccc32)n1 ZINC000071845378 191031112 /nfs/dbraw/zinc/03/11/12/191031112.db2.gz ZSWPVJVOWQAUAS-KRWDZBQOSA-N 1 0 307.397 3.738 50 0 DHAARO Fc1cccc(CN2CCC[N@H+](Cc3cccc(F)c3)CC2)c1 ZINC000072202849 191076659 /nfs/dbraw/zinc/07/66/59/191076659.db2.gz FMFCARIAIOFCPR-UHFFFAOYSA-N 1 0 316.395 3.673 50 0 DHAARO C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cccc(O)c1 ZINC000072440822 191167641 /nfs/dbraw/zinc/16/76/41/191167641.db2.gz DILSORCZSWPKKE-UHFFFAOYSA-N 1 0 313.441 3.728 50 0 DHAARO O[C@@H](CCc1ccccc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000072468333 191175336 /nfs/dbraw/zinc/17/53/36/191175336.db2.gz JDWANCVGTUEVNJ-IBGZPJMESA-N 1 0 315.482 3.954 50 0 DHAARO COc1cccc(-c2c[nH+]c(NCc3ccccc3F)n2C)c1 ZINC000000819134 180835343 /nfs/dbraw/zinc/83/53/43/180835343.db2.gz LKSMQSLSLXJJLZ-UHFFFAOYSA-N 1 0 311.360 3.847 50 0 DHAARO CCOc1ccc(N2CCc3c2[nH+]c2ccccc2c3N)cc1 ZINC000000758861 180832268 /nfs/dbraw/zinc/83/22/68/180832268.db2.gz OXPMFIZGINUKKW-UHFFFAOYSA-N 1 0 305.381 3.910 50 0 DHAARO CCC(C)(C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000002646001 180943703 /nfs/dbraw/zinc/94/37/03/180943703.db2.gz TWACBRNGJPHJQR-NSHDSACASA-N 1 0 306.233 3.511 50 0 DHAARO CC[C@H](C)[NH2+]CCOc1c(C)cc(C)cc1Br ZINC000002821921 180961223 /nfs/dbraw/zinc/96/12/23/180961223.db2.gz OEGPLRGIOAKCIY-LBPRGKRZSA-N 1 0 300.240 3.833 50 0 DHAARO COc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 ZINC000003229494 180994030 /nfs/dbraw/zinc/99/40/30/180994030.db2.gz NMMKWZPBPOAMAG-UHFFFAOYSA-N 1 0 323.441 3.936 50 0 DHAARO C[N@H+](C[C@H](O)COc1cccc2ccccc21)C1CCCCC1 ZINC000003293098 181001595 /nfs/dbraw/zinc/00/15/95/181001595.db2.gz KEEFQICJHPCWPG-SFHVURJKSA-N 1 0 313.441 3.844 50 0 DHAARO C[NH+](C)CCCNC(=S)Nc1ccc(-c2ccccc2)cc1 ZINC000003368565 181012090 /nfs/dbraw/zinc/01/20/90/181012090.db2.gz VNPACMJIGFGMCR-UHFFFAOYSA-N 1 0 313.470 3.592 50 0 DHAARO Cc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003344323 181009453 /nfs/dbraw/zinc/00/94/53/181009453.db2.gz DQXBJOOBELKOOT-UHFFFAOYSA-N 1 0 314.473 3.914 50 0 DHAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000003583484 181037353 /nfs/dbraw/zinc/03/73/53/181037353.db2.gz FRDNMYLGEAZQCD-NSHDSACASA-N 1 0 314.401 3.814 50 0 DHAARO COc1ccc(C(=O)OCC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000004082310 181070229 /nfs/dbraw/zinc/07/02/29/181070229.db2.gz IVEBIROSGNNAAU-QAPCUYQASA-N 1 0 317.429 3.507 50 0 biogenic DHAARO CC[NH+](CC)CCN(C(C)=O)c1nc2c(ccc(C)c2C)s1 ZINC000004359491 181101803 /nfs/dbraw/zinc/10/18/03/181101803.db2.gz SXKZQZHAJAWPJP-UHFFFAOYSA-N 1 0 319.474 3.608 50 0 DHAARO CCCCOc1c(Br)cc(C[NH2+]C)cc1OCC ZINC000004810603 181154829 /nfs/dbraw/zinc/15/48/29/181154829.db2.gz JZBYOVVQQZCSKW-UHFFFAOYSA-N 1 0 316.239 3.746 50 0 DHAARO c1cc(-c2ccccc2)oc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004942843 181177026 /nfs/dbraw/zinc/17/70/26/181177026.db2.gz BJRBMNLHKYOEDM-UHFFFAOYSA-N 1 0 307.349 3.965 50 0 DHAARO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1cccnc1 ZINC000004999726 181187957 /nfs/dbraw/zinc/18/79/57/181187957.db2.gz OCQMLXJHFOWDMT-UHFFFAOYSA-N 1 0 318.804 3.575 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccc(OC(C)C)c(F)c2)cc1O ZINC000078602379 191893754 /nfs/dbraw/zinc/89/37/54/191893754.db2.gz POLWWDCMXQPREC-UHFFFAOYSA-N 1 0 319.376 3.617 50 0 DHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1F ZINC000005417963 181241232 /nfs/dbraw/zinc/24/12/32/181241232.db2.gz DRHCPEMGRJKTQJ-LPHOPBHVSA-N 1 0 324.399 3.582 50 0 DHAARO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1cccc(O)c1 ZINC000187337072 200097362 /nfs/dbraw/zinc/09/73/62/200097362.db2.gz IRTUKLKZJMNHIV-CYBMUJFWSA-N 1 0 313.397 3.888 50 0 DHAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]C1CCCCC1 ZINC000006284959 181326383 /nfs/dbraw/zinc/32/63/83/181326383.db2.gz KUCXLTVQCVLNGY-LLVKDONJSA-N 1 0 310.825 3.598 50 0 DHAARO O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCCCCCC1 ZINC000006583811 181356887 /nfs/dbraw/zinc/35/68/87/181356887.db2.gz RDVNDTFDPTYHQY-AZUAARDMSA-N 1 0 317.473 3.708 50 0 DHAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCCC1 ZINC000006623735 181362398 /nfs/dbraw/zinc/36/23/98/181362398.db2.gz VSWSIBQREJIPNZ-FXRXJOCMSA-N 1 0 303.446 3.541 50 0 biogenic DHAARO COc1cc([C@@H]2CCCCC[NH2+]2)cc(Br)c1OC ZINC000006658175 181366534 /nfs/dbraw/zinc/36/65/34/181366534.db2.gz QLMHUSJRHZIQJO-LBPRGKRZSA-N 1 0 314.223 3.671 50 0 DHAARO C=Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000091444649 193057087 /nfs/dbraw/zinc/05/70/87/193057087.db2.gz VSVCPSLPHVENDF-NRFANRHFSA-N 1 0 324.468 3.554 50 0 DHAARO Cc1ccc2[nH]c(C[NH2+][C@H](c3ccccn3)C(C)C)cc(=O)c2c1 ZINC000091595584 193077604 /nfs/dbraw/zinc/07/76/04/193077604.db2.gz QQPCABZYJIZJSF-FQEVSTJZSA-N 1 0 321.424 3.718 50 0 DHAARO Cc1cccc(Cn2cc[n+](COCCCc3ccccc3)c2)c1 ZINC000261492888 203073764 /nfs/dbraw/zinc/07/37/64/203073764.db2.gz LUKUOFSCWQPFMN-UHFFFAOYSA-N 1 0 321.444 3.739 50 0 DHAARO COC[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093337739 193235433 /nfs/dbraw/zinc/23/54/33/193235433.db2.gz NFSXFIMJOOWEEU-LBPRGKRZSA-N 1 0 308.472 3.730 50 0 DHAARO C[C@H](c1cccc(Br)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094432241 193369725 /nfs/dbraw/zinc/36/97/25/193369725.db2.gz XUBABOMOGAUIIY-CZUORRHYSA-N 1 0 323.278 3.680 50 0 DHAARO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCc2ncc(C)s2)cc1 ZINC000095423296 193443593 /nfs/dbraw/zinc/44/35/93/193443593.db2.gz VRDJJHUMCQFDFW-ZIAGYGMSSA-N 1 0 304.459 3.784 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000095971528 193467510 /nfs/dbraw/zinc/46/75/10/193467510.db2.gz BQJFOGIYGGMQMJ-ZWKOTPCHSA-N 1 0 308.425 3.847 50 0 DHAARO C[C@H](c1cccc(-c2ccc3c(c2)NC(=O)CO3)c1)[NH+]1CCCC1 ZINC000096160714 193557470 /nfs/dbraw/zinc/55/74/70/193557470.db2.gz LGVJSEYWXLREMJ-CQSZACIVSA-N 1 0 322.408 3.841 50 0 DHAARO C[NH2+]Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012464845 181765742 /nfs/dbraw/zinc/76/57/42/181765742.db2.gz SBGQEGSZIUDBJP-UHFFFAOYSA-N 1 0 313.351 3.845 50 0 DHAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000012792527 181798375 /nfs/dbraw/zinc/79/83/75/181798375.db2.gz HLXGNKNNLDQLEB-UHFFFAOYSA-N 1 0 324.424 3.634 50 0 DHAARO Cc1ccc(COC[C@@H](O)C[NH+]2C(C)(C)CCCC2(C)C)cc1 ZINC000016578423 182050255 /nfs/dbraw/zinc/05/02/55/182050255.db2.gz LHWVNJNWPAHPMY-SFHVURJKSA-N 1 0 319.489 3.916 50 0 DHAARO CCCCc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000016602475 182052022 /nfs/dbraw/zinc/05/20/22/182052022.db2.gz NMZTYVDTVQFBGO-UHFFFAOYSA-N 1 0 302.462 3.632 50 0 DHAARO Cc1cccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000019361439 182118964 /nfs/dbraw/zinc/11/89/64/182118964.db2.gz KINHOHXDDYBHSP-UHFFFAOYSA-N 1 0 314.860 3.966 50 0 DHAARO COc1ccc(OC)c(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000019720926 182138195 /nfs/dbraw/zinc/13/81/95/182138195.db2.gz OQTNPYZEYWWQLA-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO C[C@H](CCc1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019636509 182134366 /nfs/dbraw/zinc/13/43/66/182134366.db2.gz IUZWDIZPXUMNAD-LJQANCHMSA-N 1 0 308.469 3.826 50 0 DHAARO Cc1ccccc1C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000019781627 182147936 /nfs/dbraw/zinc/14/79/36/182147936.db2.gz FIEQJNZVIUKRLC-UHFFFAOYSA-N 1 0 314.860 3.966 50 0 DHAARO Brc1cccc(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000019788246 182148180 /nfs/dbraw/zinc/14/81/80/182148180.db2.gz NGACLMSRVDSYDK-UHFFFAOYSA-N 1 0 323.278 3.509 50 0 DHAARO CCc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019842382 182156006 /nfs/dbraw/zinc/15/60/06/182156006.db2.gz YQPHRNDPMZKEPU-XLIONFOSSA-N 1 0 300.490 3.945 50 0 DHAARO Clc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019809279 182152661 /nfs/dbraw/zinc/15/26/61/182152661.db2.gz DFEKGEVTPASXGK-INIZCTEOSA-N 1 0 304.865 3.814 50 0 DHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1F)[NH2+]CC2 ZINC000019809034 182152876 /nfs/dbraw/zinc/15/28/76/182152876.db2.gz VGIGLOVEJWYJPZ-LJQANCHMSA-N 1 0 315.388 3.858 50 0 DHAARO CC[NH+]1CCN(CCCOc2ccccc2-c2ccccc2)CC1 ZINC000020406300 182214950 /nfs/dbraw/zinc/21/49/50/182214950.db2.gz SESBBJCQFFBCAQ-UHFFFAOYSA-N 1 0 324.468 3.760 50 0 DHAARO Clc1cccc(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)o2)c1 ZINC000020477293 182221545 /nfs/dbraw/zinc/22/15/45/182221545.db2.gz QJJSFJPIINFRGM-KRWDZBQOSA-N 1 0 316.832 3.784 50 0 DHAARO Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)s1 ZINC000020477321 182221692 /nfs/dbraw/zinc/22/16/92/182221692.db2.gz UXKOOHSBYAUXEY-UHFFFAOYSA-N 1 0 300.471 3.811 50 0 DHAARO CCOc1ccc2oc(=O)cc(C[N@H+](C)Cc3ccccc3)c2c1 ZINC000020446814 182218174 /nfs/dbraw/zinc/21/81/74/182218174.db2.gz CVNIXXJLCBBUBP-UHFFFAOYSA-N 1 0 323.392 3.824 50 0 DHAARO CSc1ccc([C@@H](C[NH3+])N2CCc3sccc3C2)cc1 ZINC000020523749 182227219 /nfs/dbraw/zinc/22/72/19/182227219.db2.gz IZKMCDVXIMYVKG-OAHLLOKOSA-N 1 0 304.484 3.528 50 0 DHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccccc1 ZINC000021835784 182294317 /nfs/dbraw/zinc/29/43/17/182294317.db2.gz DELKOEVEBHZOAH-OAHLLOKOSA-N 1 0 315.442 3.707 50 0 DHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000021961642 182300322 /nfs/dbraw/zinc/30/03/22/182300322.db2.gz MCVVNIZJFMJSDQ-UHFFFAOYSA-N 1 0 314.454 3.664 50 0 DHAARO CCc1ccc([C@H](CNC(=O)c2sccc2C)[NH+](C)C)cc1 ZINC000022683930 182330329 /nfs/dbraw/zinc/33/03/29/182330329.db2.gz ONOFMJAWCGZEMH-INIZCTEOSA-N 1 0 316.470 3.652 50 0 DHAARO C[C@H](Cc1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022455220 182322097 /nfs/dbraw/zinc/32/20/97/182322097.db2.gz WNBCBVCGVJPSDH-QGZVFWFLSA-N 1 0 312.432 3.575 50 0 DHAARO C[C@@H](C[NH+]1CCC(n2cc(C3CC3)nn2)CC1)c1ccccc1 ZINC000023479246 182362174 /nfs/dbraw/zinc/36/21/74/182362174.db2.gz PGMDQVZZUNFWOR-HNNXBMFYSA-N 1 0 310.445 3.596 50 0 DHAARO Clc1ccc([C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000032576284 182648810 /nfs/dbraw/zinc/64/88/10/182648810.db2.gz OTTBLMJKDCYQKY-INIZCTEOSA-N 1 0 303.837 3.806 50 0 DHAARO O=C(Cc1cccs1)Nc1ccccc1C[NH+]1CCCC1 ZINC000040090876 183033276 /nfs/dbraw/zinc/03/32/76/183033276.db2.gz JASQLNLOUUIQON-UHFFFAOYSA-N 1 0 300.427 3.525 50 0 DHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccsc2)cc1 ZINC000040091393 183033553 /nfs/dbraw/zinc/03/35/53/183033553.db2.gz ZWMJFEUMDUHZPU-UHFFFAOYSA-N 1 0 301.390 3.610 50 0 DHAARO C[N@H+](CCCc1ccccc1)Cc1nc(-c2ccsc2)no1 ZINC000040105861 183035415 /nfs/dbraw/zinc/03/54/15/183035415.db2.gz PXXRAANBQZWCDQ-UHFFFAOYSA-N 1 0 313.426 3.863 50 0 DHAARO CC(C)c1ccc([C@@H]2[NH2+]CC[C@]23c2ccccc2NC3=O)cc1 ZINC000040309985 183053410 /nfs/dbraw/zinc/05/34/10/183053410.db2.gz DWFMRWCKZQXXCA-ICSRJNTNSA-N 1 0 306.409 3.735 50 0 biogenic DHAARO OCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000040743652 183128266 /nfs/dbraw/zinc/12/82/66/183128266.db2.gz MXFFAAIVVIIIFL-UHFFFAOYSA-N 1 0 300.185 3.725 50 0 DHAARO O[C@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000042132468 183234392 /nfs/dbraw/zinc/23/43/92/183234392.db2.gz SIQVXMWPENGURW-FUHWJXTLSA-N 1 0 322.408 3.741 50 0 DHAARO CCc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770580 183306747 /nfs/dbraw/zinc/30/67/47/183306747.db2.gz MUPNJFXNANJFDI-CYBMUJFWSA-N 1 0 312.251 3.780 50 0 DHAARO CC(C)(C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770566 183307140 /nfs/dbraw/zinc/30/71/40/183307140.db2.gz GAPQZJYXEAAHKJ-LLVKDONJSA-N 1 0 312.251 3.735 50 0 DHAARO C[C@H](CNC(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000105673401 194118591 /nfs/dbraw/zinc/11/85/91/194118591.db2.gz NUMRBBIMQWTPNK-CHWSQXEVSA-N 1 0 309.841 3.582 50 0 DHAARO CC(C)Sc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000048184992 183625795 /nfs/dbraw/zinc/62/57/95/183625795.db2.gz RXVLJIYGLXDPKE-UHFFFAOYSA-N 1 0 308.491 3.505 50 0 DHAARO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000058160073 184082218 /nfs/dbraw/zinc/08/22/18/184082218.db2.gz DTMCRDYHTUVPJB-UONOGXRCSA-N 1 0 310.397 3.567 50 0 DHAARO Cc1ccccc1C[N@@H+]1CCCN(CCOc2ccccc2)CC1 ZINC000058773544 184129039 /nfs/dbraw/zinc/12/90/39/184129039.db2.gz MBZDWWDFLUYGJS-UHFFFAOYSA-N 1 0 324.468 3.582 50 0 DHAARO CCC(CC)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058407172 184114287 /nfs/dbraw/zinc/11/42/87/184114287.db2.gz RUAMOLDZCOBHEG-AWEZNQCLSA-N 1 0 308.491 3.513 50 0 DHAARO O=C(N[C@H]1C[C@H]1c1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000062300689 184228967 /nfs/dbraw/zinc/22/89/67/184228967.db2.gz OZBILATVXWOPSI-PMACEKPBSA-N 1 0 320.436 3.568 50 0 DHAARO Cc1ccc([C@H](CNc2nccc(C(F)(F)F)n2)[NH+](C)C)cc1 ZINC000064114170 184292795 /nfs/dbraw/zinc/29/27/95/184292795.db2.gz BTBKHXMRTMSIRZ-ZDUSSCGKSA-N 1 0 324.350 3.519 50 0 DHAARO Cn1ccc2cc(C[NH2+]Cc3ccc4c(ccn4C)c3)ccc21 ZINC000065336805 184324850 /nfs/dbraw/zinc/32/48/50/184324850.db2.gz GHHYNBFYSXFDGQ-UHFFFAOYSA-N 1 0 303.409 3.960 50 0 DHAARO Cc1nn(CC[NH2+][C@@H](C)Cc2ccccc2F)c(C)c1Cl ZINC000065461463 184348931 /nfs/dbraw/zinc/34/89/31/184348931.db2.gz CBQJVLRSOMVETG-NSHDSACASA-N 1 0 309.816 3.513 50 0 DHAARO O=C(CCC1CCCC1)NCC1=CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000065488243 184353221 /nfs/dbraw/zinc/35/32/21/184353221.db2.gz XWZVPHCHLNPISD-IBGZPJMESA-N 1 0 316.489 3.814 50 0 DHAARO Cc1cc(C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)on1 ZINC000065492260 184353995 /nfs/dbraw/zinc/35/39/95/184353995.db2.gz CKAHQZFXQCNXBB-ZDUSSCGKSA-N 1 0 313.401 3.595 50 0 DHAARO C[N@@H+]1CCCC[C@@H]1CCc1nc(C2CC2)nn1-c1ccccc1 ZINC000065506820 184356880 /nfs/dbraw/zinc/35/68/80/184356880.db2.gz UBGPNAMPGYGJFQ-MRXNPFEDSA-N 1 0 310.445 3.562 50 0 DHAARO CC[S@](=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000241739108 256604014 /nfs/dbraw/zinc/60/40/14/256604014.db2.gz RACIXPNHACUEFU-SIFCLUCFSA-N 1 0 317.857 3.649 50 0 DHAARO CCOC(=O)[C@@H]1C(=[NH2+])c2cc(OC)ccc2[C@@H]1Cc1ccccc1 ZINC000524735317 257213286 /nfs/dbraw/zinc/21/32/86/257213286.db2.gz RHSZUNZXRSUSGK-WMZOPIPTSA-N 1 0 323.392 3.582 50 0 DHAARO COc1ccccc1-c1ccc(-c2ccc(C[NH+](C)C)cc2)nn1 ZINC000216514544 257273412 /nfs/dbraw/zinc/27/34/12/257273412.db2.gz MXRQUVNXVANSEF-UHFFFAOYSA-N 1 0 319.408 3.881 50 0 DHAARO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3ccc4occc4c3)cc2)C1 ZINC000426715847 257243813 /nfs/dbraw/zinc/24/38/13/257243813.db2.gz IXYMJTRAFAYFCR-GOSISDBHSA-N 1 0 320.392 3.534 50 0 DHAARO C[C@@H](c1cccc(-c2cc(CO)ncc2F)c1)[NH+]1CCCC1 ZINC000426432067 257249996 /nfs/dbraw/zinc/24/99/96/257249996.db2.gz VICAEQSWADATIN-ZDUSSCGKSA-N 1 0 300.377 3.537 50 0 DHAARO COc1cccc(CN2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000000207647 331460262 /nfs/dbraw/zinc/46/02/62/331460262.db2.gz BJYPEFIGQLAQDL-UHFFFAOYSA-N 1 0 302.462 3.536 50 0 DHAARO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC1(CO)CCCC1 ZINC000534586676 334292242 /nfs/dbraw/zinc/29/22/42/334292242.db2.gz QCCCRNYSVCUUSO-OAHLLOKOSA-N 1 0 300.446 3.631 50 0 DHAARO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000375270728 337006961 /nfs/dbraw/zinc/00/69/61/337006961.db2.gz WTRGNMQPPAGTMV-QGZVFWFLSA-N 1 0 311.429 3.531 50 0 DHAARO CCO[C@@H](C)c1nc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000119894167 337382902 /nfs/dbraw/zinc/38/29/02/337382902.db2.gz YPXWPPSSTROEPO-WCQYABFASA-N 1 0 312.479 3.676 50 0 DHAARO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1nnc(-c2ccccc2)o1 ZINC000119879857 337382946 /nfs/dbraw/zinc/38/29/46/337382946.db2.gz YTKMXOHMHQUMLX-GXTWGEPZSA-N 1 0 315.417 3.733 50 0 DHAARO Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000048325689 563696236 /nfs/dbraw/zinc/69/62/36/563696236.db2.gz JJDTVWSSVQVCEN-HOTGVXAUSA-N 1 0 303.450 3.688 50 0 DHAARO Cc1cc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc(C)c1Cl ZINC000001469971 563837970 /nfs/dbraw/zinc/83/79/70/563837970.db2.gz QHCAZSIDWTYHKC-GJZGRUSLSA-N 1 0 311.853 3.571 50 0 DHAARO Cc1ccc([C@](C)(O)C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000130063109 563866075 /nfs/dbraw/zinc/86/60/75/563866075.db2.gz UPACQNHDQQWHFH-OUCADQQQSA-N 1 0 305.340 3.506 50 0 DHAARO Cc1nn(C)c(Cl)c1[C@@H]1CCCN1[C@@H](C)c1cccnc1 ZINC000075605181 563884918 /nfs/dbraw/zinc/88/49/18/563884918.db2.gz VVDFTDQEXFYOQX-JSGCOSHPSA-N 1 0 304.825 3.675 50 0 DHAARO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000071882090 563211524 /nfs/dbraw/zinc/21/15/24/563211524.db2.gz JLCKUUIPVBODSH-NWDGAFQWSA-N 1 0 316.430 3.647 50 0 DHAARO COc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000000292045 563236585 /nfs/dbraw/zinc/23/65/85/563236585.db2.gz QWOKAIANTNHDJO-UHFFFAOYSA-N 1 0 324.468 3.943 50 0 DHAARO COc1ccc(C[NH2+]Cc2cc(C)c(OC)cc2C)c(OC)c1 ZINC000000293513 563237078 /nfs/dbraw/zinc/23/70/78/563237078.db2.gz ZGXWLGSNVMCHAI-UHFFFAOYSA-N 1 0 315.413 3.619 50 0 DHAARO CC[NH+](CC)C[C@@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 ZINC000000340722 563242095 /nfs/dbraw/zinc/24/20/95/563242095.db2.gz UEJSOIXKDUIOAO-PMACEKPBSA-N 1 0 313.441 3.854 50 0 DHAARO CC[NH+](CC)C[C@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 ZINC000000340721 563242130 /nfs/dbraw/zinc/24/21/30/563242130.db2.gz UEJSOIXKDUIOAO-WOJBJXKFSA-N 1 0 313.441 3.854 50 0 DHAARO CC(C)(CO)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000000359881 563244412 /nfs/dbraw/zinc/24/44/12/563244412.db2.gz JJZARGKWFQJFEY-UHFFFAOYSA-N 1 0 319.832 3.780 50 0 DHAARO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000000556309 563266025 /nfs/dbraw/zinc/26/60/25/563266025.db2.gz IYGYGFXIJSVXJC-UHFFFAOYSA-N 1 0 324.424 3.933 50 0 DHAARO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 ZINC000001178747 563278429 /nfs/dbraw/zinc/27/84/29/563278429.db2.gz XLCBYOXUAJDKQE-UHFFFAOYSA-N 1 0 312.413 3.546 50 0 DHAARO Fc1ccc(N2CCC([NH2+]CCCC[C@H]3CCCO3)CC2)cc1 ZINC000584901519 563297939 /nfs/dbraw/zinc/29/79/39/563297939.db2.gz RBGLOXHBCJMVNK-IBGZPJMESA-N 1 0 320.452 3.733 50 0 DHAARO CCOCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000002178115 563301356 /nfs/dbraw/zinc/30/13/56/563301356.db2.gz SETLDGSQMRBZAL-UHFFFAOYSA-N 1 0 317.404 3.921 50 0 DHAARO COc1ccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000002514495 563304983 /nfs/dbraw/zinc/30/49/83/563304983.db2.gz BMSCCUUZRKGVBX-UHFFFAOYSA-N 1 0 309.409 3.912 50 0 DHAARO COc1cccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000002514494 563305371 /nfs/dbraw/zinc/30/53/71/563305371.db2.gz CKCGOLNRBBRDOO-UHFFFAOYSA-N 1 0 309.409 3.912 50 0 DHAARO COc1ccc(C(=O)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000002515493 563305874 /nfs/dbraw/zinc/30/58/74/563305874.db2.gz WMYSBEOHMMQEOE-UHFFFAOYSA-N 1 0 309.409 3.912 50 0 DHAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000002735067 563312045 /nfs/dbraw/zinc/31/20/45/563312045.db2.gz OZQBWWHZFANMHF-FQEVSTJZSA-N 1 0 322.452 3.557 50 0 DHAARO CCC[NH+](CCC)C[C@H](O)COc1cccc2ccccc21 ZINC000002988837 563320079 /nfs/dbraw/zinc/32/00/79/563320079.db2.gz FHKKLVGOJFXBCC-KRWDZBQOSA-N 1 0 301.430 3.702 50 0 DHAARO CCc1ccc(C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000004980388 563328570 /nfs/dbraw/zinc/32/85/70/563328570.db2.gz KQZFOSSHZOARHG-UHFFFAOYSA-N 1 0 310.441 3.580 50 0 DHAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1 ZINC000007277244 563337830 /nfs/dbraw/zinc/33/78/30/563337830.db2.gz AUHOPPRNXFYVDO-CQSZACIVSA-N 1 0 308.381 3.685 50 0 DHAARO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246882157 563342116 /nfs/dbraw/zinc/34/21/16/563342116.db2.gz CUIBYXPUUWNZBE-ZCRFILTFSA-N 1 0 321.509 3.516 50 0 DHAARO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000097473786 563350393 /nfs/dbraw/zinc/35/03/93/563350393.db2.gz SNXJSYNOJBODBX-ZDUSSCGKSA-N 1 0 308.853 3.638 50 0 DHAARO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000097473787 563350473 /nfs/dbraw/zinc/35/04/73/563350473.db2.gz SNXJSYNOJBODBX-CYBMUJFWSA-N 1 0 308.853 3.638 50 0 DHAARO Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010338983 563356123 /nfs/dbraw/zinc/35/61/23/563356123.db2.gz YZVUGXKUPHELSM-UHFFFAOYSA-N 1 0 322.452 3.911 50 0 DHAARO CCC[N@@H+]1CCC[C@@](CCOc2ccccc2)(C(=O)OCC)C1 ZINC000012206015 563364633 /nfs/dbraw/zinc/36/46/33/563364633.db2.gz OSKJUIBQMJUSFB-IBGZPJMESA-N 1 0 319.445 3.511 50 0 DHAARO Cc1cccc(CC[NH2+]Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 ZINC000012468826 563369834 /nfs/dbraw/zinc/36/98/34/563369834.db2.gz VOSXPWLKYKPTKB-UHFFFAOYSA-N 1 0 320.436 3.786 50 0 DHAARO CO[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C)cc3)oc2C)C1 ZINC000012585058 563371479 /nfs/dbraw/zinc/37/14/79/563371479.db2.gz QWYZQRMEDBGGEL-INIZCTEOSA-N 1 0 300.402 3.569 50 0 DHAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccc(CC)o2)CC1 ZINC000012712977 563373430 /nfs/dbraw/zinc/37/34/30/563373430.db2.gz PBAYUYOHZJDBOF-UHFFFAOYSA-N 1 0 319.445 3.787 50 0 DHAARO COc1ccc(-[n+]2cc(-c3ccc(C)cc3)n3c2SCC3)cc1 ZINC000013496546 563382608 /nfs/dbraw/zinc/38/26/08/563382608.db2.gz LUMFRFYQKACABY-UHFFFAOYSA-N 1 0 323.441 3.855 50 0 DHAARO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1cccc2ccccc21 ZINC000032753292 563390760 /nfs/dbraw/zinc/39/07/60/563390760.db2.gz JPHNFGDUMGHUFQ-CVEARBPZSA-N 1 0 310.441 3.891 50 0 DHAARO CSc1ccc(CN(C)Cc2nc(-c3ccco3)no2)cc1 ZINC000032754335 563390795 /nfs/dbraw/zinc/39/07/95/563390795.db2.gz LLXAYUCEXCJPQY-UHFFFAOYSA-N 1 0 315.398 3.684 50 0 DHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cl)o1 ZINC000032762434 563391575 /nfs/dbraw/zinc/39/15/75/563391575.db2.gz KIDSGMRAIWVWMS-NSHDSACASA-N 1 0 324.833 3.561 50 0 DHAARO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1F ZINC000032781046 563393273 /nfs/dbraw/zinc/39/32/73/563393273.db2.gz SBVROKXGZDGUMM-UHFFFAOYSA-N 1 0 306.425 3.519 50 0 DHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(Cl)c[nH]1 ZINC000032820510 563400285 /nfs/dbraw/zinc/40/02/85/563400285.db2.gz NDOBIKGGSIRHSB-UHFFFAOYSA-N 1 0 323.868 3.587 50 0 DHAARO COc1ccc2c(C[N@H+](C)C3CCCCCC3)cc(=O)oc2c1 ZINC000032858122 563403004 /nfs/dbraw/zinc/40/30/04/563403004.db2.gz JOKQGEMEBWJLAL-UHFFFAOYSA-N 1 0 315.413 3.956 50 0 DHAARO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000032870692 563403835 /nfs/dbraw/zinc/40/38/35/563403835.db2.gz OWZRFNQQJWYJSP-BETUJISGSA-N 1 0 324.852 3.655 50 0 DHAARO c1ccc(CCC[C@H]2C[N@@H+](C3CCSCC3)CCO2)cc1 ZINC000014960338 563404592 /nfs/dbraw/zinc/40/45/92/563404592.db2.gz HEUJGRSINBIVDW-SFHVURJKSA-N 1 0 305.487 3.606 50 0 DHAARO Cn1cc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 ZINC000014981258 563404860 /nfs/dbraw/zinc/40/48/60/563404860.db2.gz UDZBNUCESCELSC-CQSZACIVSA-N 1 0 319.399 3.543 50 0 DHAARO Fc1ccc(CC[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c(F)c1 ZINC000015072485 563406920 /nfs/dbraw/zinc/40/69/20/563406920.db2.gz WGHPBRKOKWRHRE-ZDUSSCGKSA-N 1 0 305.372 3.533 50 0 DHAARO COc1cccc(-c2ccc(C[NH2+]C[C@H](O)c3ccccc3)o2)c1 ZINC000015356868 563409600 /nfs/dbraw/zinc/40/96/00/563409600.db2.gz NGZWKWHCXZBCJL-IBGZPJMESA-N 1 0 323.392 3.778 50 0 DHAARO Cc1cccc(N2CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC2)c1 ZINC000019957474 563416433 /nfs/dbraw/zinc/41/64/33/563416433.db2.gz HXEPCPNYIVZIQC-KRWDZBQOSA-N 1 0 318.505 3.883 50 0 DHAARO C/C=C/c1ccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000020167271 563416578 /nfs/dbraw/zinc/41/65/78/563416578.db2.gz UXWDHYCZFMMUQB-MCXNIAKKSA-N 1 0 319.445 3.606 50 0 DHAARO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Cl ZINC000020177132 563416607 /nfs/dbraw/zinc/41/66/07/563416607.db2.gz NPDWDTUSCZVFMZ-MRXNPFEDSA-N 1 0 305.805 3.562 50 0 DHAARO COc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000025507892 563423745 /nfs/dbraw/zinc/42/37/45/563423745.db2.gz QCBYCAKLDSMCBZ-MJBXVCDLSA-N 1 0 315.417 3.784 50 0 DHAARO O=C(c1ccccc1)[C@@H]1CCC[C@H](C[C@@H](O)c2ccccc2)[NH2+]1 ZINC000025559167 563423868 /nfs/dbraw/zinc/42/38/68/563423868.db2.gz CNWKJIFYKGLTLI-CEXWTWQISA-N 1 0 309.409 3.504 50 0 DHAARO Cc1ccc([C@@H](CNC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000027581745 563428832 /nfs/dbraw/zinc/42/88/32/563428832.db2.gz UVGKCTGQNQDXEZ-QGZVFWFLSA-N 1 0 312.413 3.545 50 0 DHAARO Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)o1 ZINC000019865237 563449028 /nfs/dbraw/zinc/44/90/28/563449028.db2.gz WHRQTXZZHPNSPT-UHFFFAOYSA-N 1 0 318.461 3.639 50 0 DHAARO Clc1ccc(OCCCC[NH+]2CCOCC2)c2ccccc12 ZINC000023115564 563449698 /nfs/dbraw/zinc/44/96/98/563449698.db2.gz VRIDEARGCPASCW-UHFFFAOYSA-N 1 0 319.832 3.984 50 0 DHAARO COc1ccc(CC[NH2+][C@@H](C)CCc2ccc(OC)cc2)cc1 ZINC000004989179 563450403 /nfs/dbraw/zinc/45/04/03/563450403.db2.gz CVNUMLMIVJNQST-INIZCTEOSA-N 1 0 313.441 3.857 50 0 DHAARO CCC1CCC([NH2+]Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000004986213 563450788 /nfs/dbraw/zinc/45/07/88/563450788.db2.gz MOJBYXLZBZOGBV-UHFFFAOYSA-N 1 0 307.434 3.771 50 0 DHAARO CC(C)(C)[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000035287299 563452783 /nfs/dbraw/zinc/45/27/83/563452783.db2.gz SFQFTLNSMRJAGX-UHFFFAOYSA-N 1 0 320.440 3.882 50 0 DHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)OCc1ccccc1 ZINC000035636476 563454179 /nfs/dbraw/zinc/45/41/79/563454179.db2.gz VZHJWMOVSNSVSX-UHFFFAOYSA-N 1 0 324.424 3.577 50 0 in-vitro DHAARO Clc1ccc(C[NH2+]CCCOc2ccccn2)c(Cl)c1 ZINC000035684103 563454195 /nfs/dbraw/zinc/45/41/95/563454195.db2.gz DUXOLPZCTJRIKY-UHFFFAOYSA-N 1 0 311.212 3.947 50 0 DHAARO CC(C)(C)c1cn2c(n1)[C@H](C[NH2+]C1CCSCC1)CCC2 ZINC000095402079 563466573 /nfs/dbraw/zinc/46/65/73/563466573.db2.gz MFDLTWPUWFQTQF-ZDUSSCGKSA-N 1 0 307.507 3.543 50 0 DHAARO CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000013656096 563468379 /nfs/dbraw/zinc/46/83/79/563468379.db2.gz IUQYLYYXKZJRJM-TZNCUMHOSA-N 1 0 307.478 3.676 50 0 DHAARO CCC[N@H+](Cc1ccc(SC)cc1)Cc1cnc(OC)nc1 ZINC000055182721 563472082 /nfs/dbraw/zinc/47/20/82/563472082.db2.gz YRCNXGDBPIOTEJ-UHFFFAOYSA-N 1 0 317.458 3.619 50 0 DHAARO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c(C)c1CO ZINC000055245279 563472641 /nfs/dbraw/zinc/47/26/41/563472641.db2.gz YVCIOGQAIDYMNC-FQEVSTJZSA-N 1 0 310.441 3.836 50 0 DHAARO Cc1ccccc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000055543131 563476337 /nfs/dbraw/zinc/47/63/37/563476337.db2.gz FDWJPKBPVIJLGO-UHFFFAOYSA-N 1 0 300.833 3.971 50 0 DHAARO Cc1ccccc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055543157 563476394 /nfs/dbraw/zinc/47/63/94/563476394.db2.gz XZZXSRGKCHGVAR-UHFFFAOYSA-N 1 0 300.833 3.971 50 0 DHAARO COc1ccc([C@H](C)[C@H](C)[NH2+]CCc2ncc(C)s2)cc1 ZINC000095423295 563477204 /nfs/dbraw/zinc/47/72/04/563477204.db2.gz VRDJJHUMCQFDFW-KGLIPLIRSA-N 1 0 304.459 3.784 50 0 DHAARO C[NH+](C)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000072027663 563478513 /nfs/dbraw/zinc/47/85/13/563478513.db2.gz BUJJJMOKRPQNLT-UHFFFAOYSA-N 1 0 323.440 3.596 50 0 DHAARO Clc1nc(N2CC[C@H]([NH+]3CCCC3)C2)cc2ccccc21 ZINC000072089557 563479458 /nfs/dbraw/zinc/47/94/58/563479458.db2.gz HUMMXPJMTQBYDA-AWEZNQCLSA-N 1 0 301.821 3.563 50 0 DHAARO C[N@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096443455 563483016 /nfs/dbraw/zinc/48/30/16/563483016.db2.gz SXCQNQHUJDUUMR-ZACQAIPSSA-N 1 0 312.413 3.587 50 0 DHAARO COc1cc2nc(-c3ccc(C[NH3+])cc3)cc(C)c2cc1OC ZINC000067740922 563489365 /nfs/dbraw/zinc/48/93/65/563489365.db2.gz JBVQFZLCQFZOES-UHFFFAOYSA-N 1 0 308.381 3.686 50 0 DHAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2Cl)C1 ZINC000067742387 563490388 /nfs/dbraw/zinc/49/03/88/563490388.db2.gz NZCHLCNKSWIFTI-CYBMUJFWSA-N 1 0 309.841 3.582 50 0 DHAARO Cc1ccc(N2CCC([NH2+][C@@H](C)Cc3ncccc3C)CC2)cc1 ZINC000067803566 563491555 /nfs/dbraw/zinc/49/15/55/563491555.db2.gz CEJXZHDGQBGASD-SFHVURJKSA-N 1 0 323.484 3.888 50 0 DHAARO CC[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(C(=O)N(C)C)cc1 ZINC000067851918 563492266 /nfs/dbraw/zinc/49/22/66/563492266.db2.gz MDPPOWAFQUUHRN-OAHLLOKOSA-N 1 0 310.441 3.944 50 0 DHAARO CC(C)Cc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)s1 ZINC000071422317 563499882 /nfs/dbraw/zinc/49/98/82/563499882.db2.gz AHLRHOOSEQOJDP-UHFFFAOYSA-N 1 0 320.502 3.533 50 0 DHAARO Cc1c(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)cnn1C ZINC000071761494 563500535 /nfs/dbraw/zinc/50/05/35/563500535.db2.gz NOYKWIRDJQYZGZ-QGZVFWFLSA-N 1 0 315.436 3.712 50 0 DHAARO Cc1c(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)cnn1C ZINC000071761495 563500692 /nfs/dbraw/zinc/50/06/92/563500692.db2.gz NOYKWIRDJQYZGZ-KRWDZBQOSA-N 1 0 315.436 3.712 50 0 DHAARO CC(C)c1nc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)cs1 ZINC000097033770 563504077 /nfs/dbraw/zinc/50/40/77/563504077.db2.gz QTPRWRVHEOCYGA-NSHDSACASA-N 1 0 317.449 3.647 50 0 DHAARO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000097105407 563505588 /nfs/dbraw/zinc/50/55/88/563505588.db2.gz SNCPXSYICPIVIM-XKQJLSEDSA-N 1 0 306.425 3.547 50 0 DHAARO Cc1cc(Cl)ccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077407873 563510055 /nfs/dbraw/zinc/51/00/55/563510055.db2.gz XJUQXAWHGCLCGR-UHFFFAOYSA-N 1 0 320.864 3.739 50 0 DHAARO COCCC[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000077460015 563511248 /nfs/dbraw/zinc/51/12/48/563511248.db2.gz DBIYYNAMCIPKTQ-HNNXBMFYSA-N 1 0 318.436 3.956 50 0 DHAARO [NH2+]=C(SC(c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000011252639 563514404 /nfs/dbraw/zinc/51/44/04/563514404.db2.gz TYRMFDQJUGKMSV-UHFFFAOYSA-N 1 0 312.438 3.776 50 0 DHAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000097058785 563518021 /nfs/dbraw/zinc/51/80/21/563518021.db2.gz WXVORVUGCZAHBK-HNNXBMFYSA-N 1 0 320.396 3.857 50 0 DHAARO CC[C@H](NC(=O)CC1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000095384405 563530023 /nfs/dbraw/zinc/53/00/23/563530023.db2.gz FZBKCLGWMYVIBZ-KRWDZBQOSA-N 1 0 306.425 3.515 50 0 DHAARO CC[N@H+](C)C1(CNC(=O)Nc2ccc(C)cc2F)CCCC1 ZINC000096150217 563533871 /nfs/dbraw/zinc/53/38/71/563533871.db2.gz GXSJOHKJAQYZJH-UHFFFAOYSA-N 1 0 307.413 3.520 50 0 DHAARO CCCCOCC[NH+](CCOCCCC)CCOCCCC ZINC000096180960 563535695 /nfs/dbraw/zinc/53/56/95/563535695.db2.gz MKIXXGAFSXWETQ-UHFFFAOYSA-N 1 0 317.514 3.739 50 0 DHAARO C[C@H](c1ccc(C(=O)N(C)Cc2ccoc2)o1)[NH+]1CCCCC1 ZINC000097307828 563538646 /nfs/dbraw/zinc/53/86/46/563538646.db2.gz BTHGKWKOMGXPGJ-CQSZACIVSA-N 1 0 316.401 3.692 50 0 DHAARO COc1cc(-c2ccc(C[NH+]3CCCCC3)cn2)c(Cl)cn1 ZINC000097347582 563538834 /nfs/dbraw/zinc/53/88/34/563538834.db2.gz ZRJRLPMJLIGTLX-UHFFFAOYSA-N 1 0 317.820 3.792 50 0 DHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000097675372 563540979 /nfs/dbraw/zinc/54/09/79/563540979.db2.gz ZBJCTRYFSZBRDX-GOSISDBHSA-N 1 0 322.412 3.880 50 0 DHAARO C[C@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(O)cc1 ZINC000097797552 563542840 /nfs/dbraw/zinc/54/28/40/563542840.db2.gz IWLYZUFCQUFGKR-ZDUSSCGKSA-N 1 0 318.461 3.516 50 0 DHAARO CC[C@@H](Sc1ccccc1)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000101326749 563557025 /nfs/dbraw/zinc/55/70/25/563557025.db2.gz HOVVTKGSYSJEIG-WBTNSWJXSA-N 1 0 319.470 3.726 50 0 DHAARO Cc1ccc(Br)cc1-c1cc(C[NH2+]C(C)C)[nH]n1 ZINC000725264745 563571008 /nfs/dbraw/zinc/57/10/08/563571008.db2.gz UBPZAQNOULULMW-UHFFFAOYSA-N 1 0 308.223 3.646 50 0 DHAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000000317622 563588038 /nfs/dbraw/zinc/58/80/38/563588038.db2.gz HDYKKIADXMYIEQ-MRXNPFEDSA-N 1 0 306.494 3.537 50 0 DHAARO COc1ccc(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000346096 563589361 /nfs/dbraw/zinc/58/93/61/563589361.db2.gz AUKJZULEGLNIQI-LJQANCHMSA-N 1 0 309.409 3.758 50 0 DHAARO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CC ZINC000252570842 563610949 /nfs/dbraw/zinc/61/09/49/563610949.db2.gz XKFDCSDXMAMYEP-RRFJBIMHSA-N 1 0 304.434 3.581 50 0 DHAARO Cc1nc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000273521804 563626429 /nfs/dbraw/zinc/62/64/29/563626429.db2.gz QCSRRYQAHSRCJZ-DLBZAZTESA-N 1 0 320.433 3.943 50 0 DHAARO CCOC[C@@H]1CC[N@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000583651052 563651635 /nfs/dbraw/zinc/65/16/35/563651635.db2.gz GBHBAMCNSQPULA-LLVKDONJSA-N 1 0 310.850 3.808 50 0 DHAARO Cc1cccc(C)c1NC(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000583651154 563651660 /nfs/dbraw/zinc/65/16/60/563651660.db2.gz IFZQQOUOKNKASK-SJORKVTESA-N 1 0 317.477 3.888 50 0 DHAARO CC(C)C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000236762376 563653019 /nfs/dbraw/zinc/65/30/19/563653019.db2.gz FLRRIKFNTHKBDQ-UYTSQGDYSA-N 1 0 320.502 3.872 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1 ZINC000102519740 563660168 /nfs/dbraw/zinc/66/01/68/563660168.db2.gz FUQHGKVGEAGGGG-XHSDSOJGSA-N 1 0 308.425 3.704 50 0 DHAARO C/C(=C\c1ccccc1)C[NH2+]CCc1nc2ccc(F)cc2n1C ZINC000104166136 563672338 /nfs/dbraw/zinc/67/23/38/563672338.db2.gz PFEFJIDKWRJXNX-NTCAYCPXSA-N 1 0 323.415 3.948 50 0 DHAARO C[C@H]1CCC[N@@H+]([C@H]2CCC(=O)N(CC3CCCCC3)CC2)C1 ZINC000012165117 563681202 /nfs/dbraw/zinc/68/12/02/563681202.db2.gz ZSKMVIFDUUCSKA-WMZOPIPTSA-N 1 0 306.494 3.680 50 0 DHAARO c1ccc(Cc2noc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000107332720 563683396 /nfs/dbraw/zinc/68/33/96/563683396.db2.gz UXIXVELMXUZARP-IAGOWNOFSA-N 1 0 311.429 3.815 50 0 DHAARO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cccnc1)c1ccco1 ZINC000108105076 563686577 /nfs/dbraw/zinc/68/65/77/563686577.db2.gz XCEGMYDVNHNARH-IAGOWNOFSA-N 1 0 300.402 3.543 50 0 DHAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000108087466 563686768 /nfs/dbraw/zinc/68/67/68/563686768.db2.gz SWYSHFYEMCJEEY-CLCXKQKWSA-N 1 0 316.489 3.892 50 0 DHAARO CCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000047827919 563692334 /nfs/dbraw/zinc/69/23/34/563692334.db2.gz LHQXAAFSTVMNEA-AWEZNQCLSA-N 1 0 324.424 3.821 50 0 DHAARO c1cc([C@@H]2CCC[N@H+]2CCOCCOc2ccccc2)cs1 ZINC000048249157 563694185 /nfs/dbraw/zinc/69/41/85/563694185.db2.gz ZYUAEPUCSBZUAR-SFHVURJKSA-N 1 0 317.454 3.981 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(C)(C)C)C1 ZINC000048344969 563697086 /nfs/dbraw/zinc/69/70/86/563697086.db2.gz OUXGLXZPBCAJKI-IYBDPMFKSA-N 1 0 316.489 3.827 50 0 DHAARO Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)on1 ZINC000048367876 563697929 /nfs/dbraw/zinc/69/79/29/563697929.db2.gz LBFVPFRIXPMZOZ-CQSZACIVSA-N 1 0 313.401 3.610 50 0 DHAARO CCc1c(-c2ccccc2)[n+](=O)c(-c2ccccc2)c(C)n1O ZINC000136553872 563702449 /nfs/dbraw/zinc/70/24/49/563702449.db2.gz FWTBXWSTCOOLSA-UHFFFAOYSA-N 1 0 307.373 3.845 50 0 DHAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000215135837 563704146 /nfs/dbraw/zinc/70/41/46/563704146.db2.gz HNKCFRKONSQCSJ-INIZCTEOSA-N 1 0 319.474 3.614 50 0 DHAARO C[C@H](c1cccnc1)N(C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215552477 563706547 /nfs/dbraw/zinc/70/65/47/563706547.db2.gz NVDFIYJIRDLZMB-OAHLLOKOSA-N 1 0 315.486 3.932 50 0 DHAARO Fc1c(Cl)cccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000216212770 563708339 /nfs/dbraw/zinc/70/83/39/563708339.db2.gz NTQJPSOWWGMTJL-UHFFFAOYSA-N 1 0 310.844 3.787 50 0 DHAARO COc1ccc(CNc2[nH+]cc(-c3ccc(OC)cc3)n2C)cc1 ZINC000000819116 563721346 /nfs/dbraw/zinc/72/13/46/563721346.db2.gz ZTIOBVQXDFKFOR-UHFFFAOYSA-N 1 0 323.396 3.716 50 0 DHAARO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccn1 ZINC000008345283 563721759 /nfs/dbraw/zinc/72/17/59/563721759.db2.gz NDIFQBRJGOZPEN-LBPRGKRZSA-N 1 0 318.804 3.747 50 0 DHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000229890503 563773239 /nfs/dbraw/zinc/77/32/39/563773239.db2.gz GZAAAPYZNNNXMH-DLBZAZTESA-N 1 0 317.477 3.806 50 0 DHAARO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1F ZINC000240465975 563776426 /nfs/dbraw/zinc/77/64/26/563776426.db2.gz GBVDIVXMYJJNND-LSDHHAIUSA-N 1 0 319.376 3.515 50 0 DHAARO Cc1ccc(OC(F)F)c(CNc2cc(C[NH+](C)C)ccn2)c1 ZINC000241447103 563777407 /nfs/dbraw/zinc/77/74/07/563777407.db2.gz NREXPGOMZOBWPD-UHFFFAOYSA-N 1 0 321.371 3.665 50 0 DHAARO c1ccc(CC[N@@H+](Cc2ccccn2)C[C@H]2CCCOC2)cc1 ZINC000244708016 563779076 /nfs/dbraw/zinc/77/90/76/563779076.db2.gz KLZGOAVWWPCUCV-LJQANCHMSA-N 1 0 310.441 3.553 50 0 DHAARO CCCC[N@H+](Cc1sccc1C)Cc1cc(=O)c(OC)c[nH]1 ZINC000244691893 563779300 /nfs/dbraw/zinc/77/93/00/563779300.db2.gz JKXIIOLVNDFMSH-UHFFFAOYSA-N 1 0 320.458 3.968 50 0 DHAARO CCOC(=O)[C@@H]1C[NH2+][C@@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000245240967 563780567 /nfs/dbraw/zinc/78/05/67/563780567.db2.gz VRGSYPCBWQRFQZ-IPMKNSEASA-N 1 0 309.409 3.684 50 0 DHAARO Cc1ccc(Cn2cc(C[NH2+]CCN(C)C)c3ccccc32)cc1 ZINC000248050045 563782828 /nfs/dbraw/zinc/78/28/28/563782828.db2.gz XIEBYFIQLNPINQ-UHFFFAOYSA-N 1 0 321.468 3.649 50 0 DHAARO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000051991161 563783445 /nfs/dbraw/zinc/78/34/45/563783445.db2.gz UDBLNKWMZORIJP-OLZOCXBDSA-N 1 0 305.365 3.692 50 0 DHAARO Cc1cc2[nH]c(C(=O)NCC[NH+](C(C)C)C(C)C)cc2c(C)c1 ZINC000012742998 563820162 /nfs/dbraw/zinc/82/01/62/563820162.db2.gz NUOMJORZBIPQON-UHFFFAOYSA-N 1 0 315.461 3.633 50 0 DHAARO CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(C)no1 ZINC000084131708 563823711 /nfs/dbraw/zinc/82/37/11/563823711.db2.gz OOVFSGFLLFOXBA-KRWDZBQOSA-N 1 0 310.401 3.690 50 0 DHAARO Cc1ccccc1-c1noc(CN2CCc3ccccc3C2)n1 ZINC000012756669 563825030 /nfs/dbraw/zinc/82/50/30/563825030.db2.gz YQRGBEAYZCVUBH-UHFFFAOYSA-N 1 0 305.381 3.603 50 0 DHAARO CC[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000084734132 563830871 /nfs/dbraw/zinc/83/08/71/563830871.db2.gz BJIIIOCIGYJTQY-LRDDRELGSA-N 1 0 305.372 3.780 50 0 DHAARO C[N@H+](CCCNC(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000012854178 563844732 /nfs/dbraw/zinc/84/47/32/563844732.db2.gz BDOYDVFEPWFTHP-UHFFFAOYSA-N 1 0 322.861 3.653 50 0 DHAARO c1ccc2c(c1)CCC[C@H]2[N@H+](CCC1OCCCO1)C1CC1 ZINC000075092797 563859043 /nfs/dbraw/zinc/85/90/43/563859043.db2.gz LCFFZHWHNZORHB-GOSISDBHSA-N 1 0 301.430 3.682 50 0 DHAARO CO[C@H](C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000075093172 563859281 /nfs/dbraw/zinc/85/92/81/563859281.db2.gz GXGAQDKYZBPIHG-GOSISDBHSA-N 1 0 307.397 3.554 50 0 DHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000053720495 563866320 /nfs/dbraw/zinc/86/63/20/563866320.db2.gz OJWJTQGHOSAVSF-HNNXBMFYSA-N 1 0 309.413 3.708 50 0 DHAARO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000229723210 563871053 /nfs/dbraw/zinc/87/10/53/563871053.db2.gz AVVAUGMMDLNEKV-NVXWUHKLSA-N 1 0 324.424 3.512 50 0 DHAARO O[C@H](c1ccccc1)C1(C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000090770875 563875539 /nfs/dbraw/zinc/87/55/39/563875539.db2.gz QXBYARKTSBAARM-VQTJNVASSA-N 1 0 307.437 3.647 50 0 DHAARO Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1C ZINC000241126055 563880390 /nfs/dbraw/zinc/88/03/90/563880390.db2.gz JJDTVWSSVQVCEN-HZPDHXFCSA-N 1 0 303.450 3.688 50 0 DHAARO Cc1cccc(C)c1NC(=S)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000245264700 563881614 /nfs/dbraw/zinc/88/16/14/563881614.db2.gz DUDCZGJOECMPLN-HZPDHXFCSA-N 1 0 319.518 3.853 50 0 DHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130304903 563884740 /nfs/dbraw/zinc/88/47/40/563884740.db2.gz VMVTWQKWNLVPON-XQHKEYJVSA-N 1 0 305.340 3.802 50 0 DHAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H]1CCCNc2ccccc21 ZINC000249040615 563889406 /nfs/dbraw/zinc/88/94/06/563889406.db2.gz UTOWXQLRNWTZFN-XOKHGSTOSA-N 1 0 300.402 3.628 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000089529354 563890829 /nfs/dbraw/zinc/89/08/29/563890829.db2.gz UKFCSWBTBKAHNL-WBVHZDCISA-N 1 0 318.417 3.753 50 0 DHAARO Cc1cccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)c1 ZINC000006877168 563897964 /nfs/dbraw/zinc/89/79/64/563897964.db2.gz NWFMVTKLZUCHKW-UHFFFAOYSA-N 1 0 315.461 3.725 50 0 DHAARO O[C@H](C[NH2+][C@H]1CCCNc2ccccc21)c1ccc(Cl)s1 ZINC000192914204 563901282 /nfs/dbraw/zinc/90/12/82/563901282.db2.gz ZHCBFOCLKKRBRN-UONOGXRCSA-N 1 0 322.861 3.972 50 0 DHAARO C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1cccs1 ZINC000007420884 563906091 /nfs/dbraw/zinc/90/60/91/563906091.db2.gz SFCSDKYJSQITIB-NSHDSACASA-N 1 0 308.834 3.861 50 0 DHAARO Cc1ccc(CCC[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cn1 ZINC000170616091 563908390 /nfs/dbraw/zinc/90/83/90/563908390.db2.gz ODJXLIZSHRGBTI-OAQYLSRUSA-N 1 0 324.468 3.656 50 0 DHAARO Cc1ccc([C@](C)(O)C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000249399785 563909535 /nfs/dbraw/zinc/90/95/35/563909535.db2.gz UPACQNHDQQWHFH-YRGRVCCFSA-N 1 0 305.340 3.506 50 0 DHAARO Cc1cccc(N2CC[NH+](CCOc3c(C)cccc3C)CC2)c1 ZINC000089672763 563910946 /nfs/dbraw/zinc/91/09/46/563910946.db2.gz ZIMPUXYCWDIMKW-UHFFFAOYSA-N 1 0 324.468 3.813 50 0 DHAARO Cc1nc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cs1 ZINC000076108123 563912630 /nfs/dbraw/zinc/91/26/30/563912630.db2.gz DOXMMUZVJAHWGG-IRXDYDNUSA-N 1 0 302.443 3.540 50 0 DHAARO NC(=[NH2+])SCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000007715632 563918143 /nfs/dbraw/zinc/91/81/43/563918143.db2.gz MDPYFDLAPHLMHN-OAHLLOKOSA-N 1 0 318.373 3.560 50 0 DHAARO C[NH+](C)Cc1ccc(C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000007736215 563918471 /nfs/dbraw/zinc/91/84/71/563918471.db2.gz XRXKIDPDGBZSDN-UHFFFAOYSA-N 1 0 320.383 3.639 50 0 DHAARO CCCCO[P@](C)(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000001816952 563920487 /nfs/dbraw/zinc/92/04/87/563920487.db2.gz MHYQTYYTGDIMIE-SXGZJXTBSA-N 1 0 303.383 3.907 50 0 biogenic DHAARO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1CO)CCS2 ZINC000390833626 563930694 /nfs/dbraw/zinc/93/06/94/563930694.db2.gz KNFJKLXBVSTLKU-KRWDZBQOSA-N 1 0 315.438 3.514 50 0 DHAARO COc1ccc(C[NH2+][C@H](C)c2c(Cl)nc3ccccn32)cc1 ZINC000095427009 563931576 /nfs/dbraw/zinc/93/15/76/563931576.db2.gz KVSCEOOSKUCJMQ-GFCCVEGCSA-N 1 0 315.804 3.847 50 0 DHAARO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000095967050 563933025 /nfs/dbraw/zinc/93/30/25/563933025.db2.gz QMLUMZVJISHTKV-HZPDHXFCSA-N 1 0 313.363 3.832 50 0 DHAARO Cc1cc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c(C)s1 ZINC000095968570 563933272 /nfs/dbraw/zinc/93/32/72/563933272.db2.gz GIEMTTHYQUQLEW-PWSUYJOCSA-N 1 0 305.491 3.997 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000095977345 563933668 /nfs/dbraw/zinc/93/36/68/563933668.db2.gz YVQQKNZCUULKBI-OAHLLOKOSA-N 1 0 324.428 3.856 50 0 DHAARO Cn1ccnc1[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000095986453 563934081 /nfs/dbraw/zinc/93/40/81/563934081.db2.gz CLQMWXQAYUMMHT-INIZCTEOSA-N 1 0 315.848 3.846 50 0 DHAARO Cn1ccnc1[C@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000095986452 563934239 /nfs/dbraw/zinc/93/42/39/563934239.db2.gz CLQMWXQAYUMMHT-MRXNPFEDSA-N 1 0 315.848 3.846 50 0 DHAARO FC(F)(F)Cn1cc2c(n1)[C@H]([NH2+]Cc1ccccc1)CCC2 ZINC000096002736 563934696 /nfs/dbraw/zinc/93/46/96/563934696.db2.gz WIJUXBWXEPGDCE-CQSZACIVSA-N 1 0 309.335 3.613 50 0 DHAARO CS[C@@H]1CC[C@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000096494368 563937485 /nfs/dbraw/zinc/93/74/85/563937485.db2.gz KZVRWVVVBBOMBH-NWDGAFQWSA-N 1 0 307.488 3.647 50 0 DHAARO COc1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000055543491 563938446 /nfs/dbraw/zinc/93/84/46/563938446.db2.gz FRZXMCOKMYYZNZ-UHFFFAOYSA-N 1 0 316.832 3.671 50 0 DHAARO CC[NH+]1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000002620787 563939510 /nfs/dbraw/zinc/93/95/10/563939510.db2.gz LSOJXAIKTDGQEE-UHFFFAOYSA-N 1 0 324.453 3.500 50 0 DHAARO Cc1cccc(NC(=S)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000002645324 563940041 /nfs/dbraw/zinc/94/00/41/563940041.db2.gz RWKUVLRNTJXXHU-KRWDZBQOSA-N 1 0 313.470 3.584 50 0 DHAARO Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 ZINC000002966479 563941527 /nfs/dbraw/zinc/94/15/27/563941527.db2.gz HKVOBOFLHBOLHL-NRFANRHFSA-N 1 0 321.444 3.645 50 0 DHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1F ZINC000003176144 563942679 /nfs/dbraw/zinc/94/26/79/563942679.db2.gz DRHCPEMGRJKTQJ-VQIMIIECSA-N 1 0 324.399 3.582 50 0 DHAARO Cc1c(Cl)cccc1-n1nc(C2CC2)nc1[C@H]1CC[N@@H+](C)C1 ZINC000670458294 563945404 /nfs/dbraw/zinc/94/54/04/563945404.db2.gz SBKPYUOFFWPFTO-ZDUSSCGKSA-N 1 0 316.836 3.526 50 0 DHAARO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008307324 563947679 /nfs/dbraw/zinc/94/76/79/563947679.db2.gz CQUXPSSVNJRRNB-MBNYWOFBSA-N 1 0 308.853 3.953 50 0 DHAARO CCCOc1ccc2[nH]c(C)c(C[NH+](CC)CC)c(=O)c2c1 ZINC000008717128 563949901 /nfs/dbraw/zinc/94/99/01/563949901.db2.gz LAKWNLLYHXUICN-UHFFFAOYSA-N 1 0 302.418 3.879 50 0 DHAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@H+]1CCC[C@H](C)C1 ZINC000008717522 563950172 /nfs/dbraw/zinc/95/01/72/563950172.db2.gz XCHYXSOBLQFCNN-ZDUSSCGKSA-N 1 0 313.445 3.547 50 0 DHAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717512 563950290 /nfs/dbraw/zinc/95/02/90/563950290.db2.gz USTHSSQHMKBUJB-UHFFFAOYSA-N 1 0 301.434 3.547 50 0 DHAARO COc1ccc(CC[NH2+]Cc2ccc3ncccc3c2)cc1OC ZINC000378908514 563950905 /nfs/dbraw/zinc/95/09/05/563950905.db2.gz QZFFSELROUOGNS-UHFFFAOYSA-N 1 0 322.408 3.584 50 0 DHAARO c1ccc2c(c1)cccc2OCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000068412799 563951126 /nfs/dbraw/zinc/95/11/26/563951126.db2.gz KFOKGENZFCUCPZ-LJQANCHMSA-N 1 0 324.468 3.779 50 0 DHAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2sccc2C)cc1 ZINC000069061257 563951601 /nfs/dbraw/zinc/95/16/01/563951601.db2.gz HSLZPCGGNUFJRH-UHFFFAOYSA-N 1 0 313.426 3.745 50 0 DHAARO [NH2+]=C(NCCc1cccc2ccccc21)NCc1ccccc1 ZINC000069350391 563952306 /nfs/dbraw/zinc/95/23/06/563952306.db2.gz RJPWIKWWLGLGFZ-UHFFFAOYSA-N 1 0 303.409 3.696 50 0 DHAARO C[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@H](C)n1cccn1 ZINC000069372163 563952593 /nfs/dbraw/zinc/95/25/93/563952593.db2.gz HVPSQQNRKUYCPR-KBPBESRZSA-N 1 0 312.442 3.746 50 0 DHAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000069442867 563952804 /nfs/dbraw/zinc/95/28/04/563952804.db2.gz ZPLGRWNBHCQLTH-GFCCVEGCSA-N 1 0 318.471 3.555 50 0 DHAARO C[C@H]([NH2+]Cc1csc(-c2cccs2)n1)[C@H](C)n1cccn1 ZINC000069442843 563952867 /nfs/dbraw/zinc/95/28/67/563952867.db2.gz ZLGVPEIKEWLYQU-RYUDHWBXSA-N 1 0 318.471 3.807 50 0 DHAARO Fc1ccc(C2([NH2+]Cc3cccc(F)c3F)CCOCC2)cc1 ZINC000069566233 563953518 /nfs/dbraw/zinc/95/35/18/563953518.db2.gz MJQNEXQWVKMTPE-UHFFFAOYSA-N 1 0 321.342 3.899 50 0 DHAARO C[NH+](C)C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000069703152 563954301 /nfs/dbraw/zinc/95/43/01/563954301.db2.gz ZUXQLCYAXRWSPF-UHFFFAOYSA-N 1 0 308.425 3.520 50 0 DHAARO CC(C)C(=O)NC1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000070040650 563955806 /nfs/dbraw/zinc/95/58/06/563955806.db2.gz KSXKCNRNCJSSQK-UHFFFAOYSA-N 1 0 324.468 3.619 50 0 DHAARO CSc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000025777978 568412753 /nfs/dbraw/zinc/41/27/53/568412753.db2.gz FURXOGADYLAVMC-CYBMUJFWSA-N 1 0 320.483 3.503 50 0 DHAARO C[C@@H](CNC(=O)Nc1ccccc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000045951191 568415455 /nfs/dbraw/zinc/41/54/55/568415455.db2.gz ABHNPODXJCZBLA-OLZOCXBDSA-N 1 0 309.841 3.724 50 0 DHAARO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(OC(F)F)cc1 ZINC000340450246 1014228800 /nfs/dbraw/zinc/22/88/00/1014228800.db2.gz PZJVACDAFWAVAI-QWRGUYRKSA-N 1 0 308.328 3.800 50 0 DHAARO C[NH+](C)CCN(Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000022578847 1015409065 /nfs/dbraw/zinc/40/90/65/1015409065.db2.gz HULDKVMATOSTHL-UHFFFAOYSA-N 1 0 302.849 3.904 50 0 DHAARO CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000192819009 1032512276 /nfs/dbraw/zinc/51/22/76/1032512276.db2.gz KJWKZBWFMXECSF-HXUWFJFHSA-N 1 0 323.440 3.724 50 0 DHAARO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(C(F)F)nc1 ZINC000850448152 1032517844 /nfs/dbraw/zinc/51/78/44/1032517844.db2.gz QLAVDRUIMQMSLP-KZULUSFZSA-N 1 0 318.367 3.504 50 0 DHAARO CCC[C@]1(CO)CC[N@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000952846112 1032665949 /nfs/dbraw/zinc/66/59/49/1032665949.db2.gz CMVVDUPGNCTHOK-IBGZPJMESA-N 1 0 300.446 3.769 50 0 DHAARO c1ccc2c(c1)CC[C@H]([NH2+]CCOc1cccc3cccnc31)C2 ZINC000952869331 1032667092 /nfs/dbraw/zinc/66/70/92/1032667092.db2.gz HMHBHMFORJQUDS-IBGZPJMESA-N 1 0 318.420 3.761 50 0 DHAARO Cc1nsc(C)c1C[NH+]1CCC(c2ccnc(Cl)n2)CC1 ZINC000952884038 1032672424 /nfs/dbraw/zinc/67/24/24/1032672424.db2.gz SAPGHMVJZBCEAB-UHFFFAOYSA-N 1 0 322.865 3.583 50 0 DHAARO COc1cccc2c1OCC(C[N@H+](C)[C@H](C)c1ccncc1)=C2 ZINC000952975343 1032678663 /nfs/dbraw/zinc/67/86/63/1032678663.db2.gz IZYCTELURBITAZ-CQSZACIVSA-N 1 0 310.397 3.559 50 0 DHAARO CN(C)c1ccc(C[NH2+][C@H](CC(C)(C)C)c2cccnc2)cn1 ZINC000952987036 1032683230 /nfs/dbraw/zinc/68/32/30/1032683230.db2.gz IQRLZYSJPNHPHZ-QGZVFWFLSA-N 1 0 312.461 3.810 50 0 DHAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC001506430442 1032728448 /nfs/dbraw/zinc/72/84/48/1032728448.db2.gz BBBFSFQVKSOOCC-JTQLQIEISA-N 1 0 317.260 3.776 50 0 DHAARO CC(C)(C)c1ccccc1OCCCCC[NH+]1CCOCC1 ZINC000023115336 1017877728 /nfs/dbraw/zinc/87/77/28/1017877728.db2.gz AHYHQTLYCJOUAW-UHFFFAOYSA-N 1 0 305.462 3.865 50 0 DHAARO CCc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000252527665 1019309537 /nfs/dbraw/zinc/30/95/37/1019309537.db2.gz DCQSDGVBVFUDTP-UHFFFAOYSA-N 1 0 322.452 3.643 50 0 DHAARO C[C@H]([NH2+]C1CCN(C(=O)c2cccs2)CC1)C1=CCCCC1 ZINC000820723412 1020203567 /nfs/dbraw/zinc/20/35/67/1020203567.db2.gz ZFKBRVSNERFRGG-AWEZNQCLSA-N 1 0 318.486 3.831 50 0 DHAARO CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000821236166 1020240786 /nfs/dbraw/zinc/24/07/86/1020240786.db2.gz RFDBGIKGUAFBGS-KURKYZTESA-N 1 0 314.473 3.650 50 0 DHAARO C[C@H](Cc1cccs1)NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000821466811 1020259141 /nfs/dbraw/zinc/25/91/41/1020259141.db2.gz UPVTTYSQXUGYSD-CYBMUJFWSA-N 1 0 322.518 3.742 50 0 DHAARO CCCOc1ccc(NC(=O)[C@H]2CCCCC[N@@H+]2C)cc1Cl ZINC000822983436 1020386156 /nfs/dbraw/zinc/38/61/56/1020386156.db2.gz POTAFKPHTCKIJZ-OAHLLOKOSA-N 1 0 324.852 3.942 50 0 DHAARO C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000529583645 1020500422 /nfs/dbraw/zinc/50/04/22/1020500422.db2.gz CBTIGYRPNARFMN-QMMMGPOBSA-N 1 0 302.321 3.718 50 0 DHAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000824567264 1020577406 /nfs/dbraw/zinc/57/74/06/1020577406.db2.gz PHDCCNHDMFKQIP-GDBMZVCRSA-N 1 0 319.445 3.867 50 0 DHAARO Cc1ccc2c(cc(C[N@H+]3Cc4ccccc4[C@H](O)C3)n2C)c1 ZINC000825206791 1020632730 /nfs/dbraw/zinc/63/27/30/1020632730.db2.gz JSJOLINPBNPFTI-HXUWFJFHSA-N 1 0 306.409 3.536 50 0 DHAARO Cc1c[nH+]c(C2CCC2)n1C1CCN(C(=O)c2ccoc2)CC1 ZINC000575548378 1020976389 /nfs/dbraw/zinc/97/63/89/1020976389.db2.gz DPTMVZIDIPRJLS-UHFFFAOYSA-N 1 0 313.401 3.529 50 0 DHAARO Cc1cnccc1-c1cccc(-c2ccn(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000020601141 1021805657 /nfs/dbraw/zinc/80/56/57/1021805657.db2.gz DTDGHBUBZGEUER-MRXNPFEDSA-N 1 0 318.424 3.530 50 0 DHAARO O=C1CCCN1Cc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000128478735 1021845700 /nfs/dbraw/zinc/84/57/00/1021845700.db2.gz SFGLLAVNPUXNJN-FQEVSTJZSA-N 1 0 320.436 3.586 50 0 DHAARO CCCn1c(C)cnc1C[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581805954 1021848040 /nfs/dbraw/zinc/84/80/40/1021848040.db2.gz IYEBAOMJQFPACK-IBGZPJMESA-N 1 0 311.473 3.975 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000581806761 1021848968 /nfs/dbraw/zinc/84/89/68/1021848968.db2.gz XKUJPHLRPDEMCC-OAHLLOKOSA-N 1 0 315.442 3.608 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000014903542 1022920638 /nfs/dbraw/zinc/92/06/38/1022920638.db2.gz FBEBHNUTRSVWEG-UHPIZROJSA-N 1 0 322.452 3.899 50 0 DHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1ccccc1F ZINC000107323592 1023426590 /nfs/dbraw/zinc/42/65/90/1023426590.db2.gz DKCVQELSOUAMGS-LBTNJELSSA-N 1 0 318.436 3.513 50 0 DHAARO CCOC(=O)C1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000000757712 1024360069 /nfs/dbraw/zinc/36/00/69/1024360069.db2.gz HQXBECAWTDIMAM-UHFFFAOYSA-N 1 0 315.457 3.988 50 0 DHAARO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(-c4ccco4)cc3)C2)[nH]1 ZINC000214948842 1024519442 /nfs/dbraw/zinc/51/94/42/1024519442.db2.gz LCTAVEULDDHDSX-KRWDZBQOSA-N 1 0 322.412 3.753 50 0 DHAARO C[N@H+](CCCn1cccn1)Cc1ccc([C@H]2CCCCO2)s1 ZINC000215922159 1024527742 /nfs/dbraw/zinc/52/77/42/1024527742.db2.gz JPVOANWUGQUGAN-MRXNPFEDSA-N 1 0 319.474 3.708 50 0 DHAARO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000239654033 1025526489 /nfs/dbraw/zinc/52/64/89/1025526489.db2.gz BMJJLJFCUXXSGW-QWHCGFSZSA-N 1 0 324.350 3.695 50 0 DHAARO CCC(CC)C[N@@H+]1CC[C@H](n2c(C)cnc2-c2ccncc2)C1 ZINC000575548934 1029870804 /nfs/dbraw/zinc/87/08/04/1029870804.db2.gz LIQGZRPDHJNCAO-SFHVURJKSA-N 1 0 312.461 3.937 50 0 DHAARO CCOCc1cc(C[N@H+](C)[C@H](C)c2ccncc2)ccc1OC ZINC000183705735 1034412726 /nfs/dbraw/zinc/41/27/26/1034412726.db2.gz ORZPJJXEOLMPEC-OAHLLOKOSA-N 1 0 314.429 3.820 50 0 DHAARO C[C@@H](O)C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000179380972 1035135105 /nfs/dbraw/zinc/13/51/05/1035135105.db2.gz AUUQGDNYBWHKMJ-OAHLLOKOSA-N 1 0 313.445 3.592 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)[C@@](C)(O)c1ccccc1 ZINC000850475568 1037964595 /nfs/dbraw/zinc/96/45/95/1037964595.db2.gz ACQJIUBQAUOUBA-VEVIJQCQSA-N 1 0 320.383 3.966 50 0 DHAARO CC(C)c1nc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cs1 ZINC000157032632 1038492210 /nfs/dbraw/zinc/49/22/10/1038492210.db2.gz WKPBDOWMZDHOHL-LBPRGKRZSA-N 1 0 318.442 3.889 50 0 DHAARO C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1cccc(Cl)c1Cl ZINC000163594446 334928339 /nfs/dbraw/zinc/92/83/39/334928339.db2.gz KRUKXSXMAOSDSC-QPUJVOFHSA-N 1 0 303.233 3.544 50 0 DHAARO CCSC[C@@H](C)[N@@H+]1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095508582 185375838 /nfs/dbraw/zinc/37/58/38/185375838.db2.gz KXOPPBKWSMVEBK-CYBMUJFWSA-N 1 0 301.459 3.576 50 0 DHAARO CCC[C@@H]1CN(C(=O)c2cc3cc(C)ccc3o2)C[C@H]1[NH+](C)C ZINC000082160335 185173988 /nfs/dbraw/zinc/17/39/88/185173988.db2.gz XJBRCVUQEFKIAK-GDBMZVCRSA-N 1 0 314.429 3.544 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H](CC)C1 ZINC000089949002 185270971 /nfs/dbraw/zinc/27/09/71/185270971.db2.gz MYISRYVKJWFWIP-PXNSSMCTSA-N 1 0 324.468 3.967 50 0 DHAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000089949166 185271091 /nfs/dbraw/zinc/27/10/91/185271091.db2.gz LCPWTHKQZJGCAU-WMLDXEAASA-N 1 0 316.470 3.638 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000095405642 185355755 /nfs/dbraw/zinc/35/57/55/185355755.db2.gz WFYIMKFFIGUEMZ-OAHLLOKOSA-N 1 0 312.438 3.624 50 0 DHAARO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1cccnc1)c1ccco1 ZINC000095413239 185358021 /nfs/dbraw/zinc/35/80/21/185358021.db2.gz XCEGMYDVNHNARH-SJORKVTESA-N 1 0 300.402 3.543 50 0 DHAARO COc1ccccc1C1(C[NH2+][C@@H](C)c2cnccn2)CCCC1 ZINC000095420730 185360447 /nfs/dbraw/zinc/36/04/47/185360447.db2.gz OWQTWIZOADOGHD-HNNXBMFYSA-N 1 0 311.429 3.648 50 0 DHAARO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000095419174 185359939 /nfs/dbraw/zinc/35/99/39/185359939.db2.gz FWNXXRRWMUETGI-VFNWGFHPSA-N 1 0 301.455 3.707 50 0 DHAARO COc1cc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)ccc1OC(C)C ZINC000095419742 185360033 /nfs/dbraw/zinc/36/00/33/185360033.db2.gz GAMVHCYTLYWFPN-LSDHHAIUSA-N 1 0 321.461 3.948 50 0 DHAARO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000095419636 185360259 /nfs/dbraw/zinc/36/02/59/185360259.db2.gz ASNMCXODCAGPAH-BFUOFWGJSA-N 1 0 324.424 3.992 50 0 DHAARO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095419635 185360267 /nfs/dbraw/zinc/36/02/67/185360267.db2.gz ASNMCXODCAGPAH-ORAYPTAESA-N 1 0 324.424 3.992 50 0 DHAARO O=c1ccccn1CCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000095421251 185360330 /nfs/dbraw/zinc/36/03/30/185360330.db2.gz NJPUHSKGPKFCBK-KRWDZBQOSA-N 1 0 316.832 3.559 50 0 DHAARO C[C@H](CCc1ccccc1)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000095450143 185368664 /nfs/dbraw/zinc/36/86/64/185368664.db2.gz KJZIMJMJBNSVKW-GOSISDBHSA-N 1 0 323.484 3.909 50 0 DHAARO Oc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000095437369 185365437 /nfs/dbraw/zinc/36/54/37/185365437.db2.gz FDEOKWSOTFRMSB-CQSZACIVSA-N 1 0 323.314 3.910 50 0 DHAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000097017261 185397430 /nfs/dbraw/zinc/39/74/30/185397430.db2.gz WPTUSCVGQBFGFQ-CVOVGHTJSA-N 1 0 315.429 3.695 50 0 DHAARO c1ccc2ncc(CN3CCC([NH+]4CCCCC4)CC3)cc2c1 ZINC000225533191 201725854 /nfs/dbraw/zinc/72/58/54/201725854.db2.gz WGJREUPCZJOFKU-UHFFFAOYSA-N 1 0 309.457 3.685 50 0 DHAARO O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000067813683 190723993 /nfs/dbraw/zinc/72/39/93/190723993.db2.gz OZBILATVXWOPSI-UXHICEINSA-N 1 0 320.436 3.568 50 0 DHAARO COc1ccc(C[NH2+][C@@H](C)c2ccsc2)cc1NC(C)=O ZINC000170669828 197804302 /nfs/dbraw/zinc/80/43/02/197804302.db2.gz KXUMHRHTICSRKI-NSHDSACASA-N 1 0 304.415 3.566 50 0 DHAARO COC(C)(C)Cn1ccnc1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000071746750 191018843 /nfs/dbraw/zinc/01/88/43/191018843.db2.gz PXZNOMIOLHAABJ-CQSZACIVSA-N 1 0 301.434 3.598 50 0 DHAARO C[NH+](C)C1CCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC000071846617 191030679 /nfs/dbraw/zinc/03/06/79/191030679.db2.gz LHRLWMVOWYTTEE-UHFFFAOYSA-N 1 0 314.454 3.581 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C)ccc1C ZINC000072116014 191038242 /nfs/dbraw/zinc/03/82/42/191038242.db2.gz GPZRJEUFIUJCLV-QGZVFWFLSA-N 1 0 302.462 3.688 50 0 DHAARO CC[C@@H]1CN(Cc2c(Cl)cncc2Cl)CC[N@@H+]1C(C)C ZINC000072133158 191044619 /nfs/dbraw/zinc/04/46/19/191044619.db2.gz QDJBRQSMDNVPSE-GFCCVEGCSA-N 1 0 316.276 3.693 50 0 DHAARO c1cc([C@H]2CCCO2)sc1C[NH+]1CC(c2ccccn2)C1 ZINC000072146156 191052913 /nfs/dbraw/zinc/05/29/13/191052913.db2.gz QIHDCRUJWNLUKL-MRXNPFEDSA-N 1 0 300.427 3.594 50 0 DHAARO CC[N@@H+]1CCC[C@@H](c2nccn2-c2cccc3cccnc32)C1 ZINC000072165786 191065831 /nfs/dbraw/zinc/06/58/31/191065831.db2.gz UUZVCODMUUYFEL-MRXNPFEDSA-N 1 0 306.413 3.620 50 0 DHAARO COc1cccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1C(C)=O ZINC000072170097 191068582 /nfs/dbraw/zinc/06/85/82/191068582.db2.gz YXDVXIRRYNAKIT-JKSUJKDBSA-N 1 0 317.429 3.541 50 0 DHAARO CCCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000072282572 191102342 /nfs/dbraw/zinc/10/23/42/191102342.db2.gz QJUXNRLRYKTBFV-INIZCTEOSA-N 1 0 317.477 3.518 50 0 DHAARO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(N3CCC3=O)c1)CC2 ZINC000225668751 186288111 /nfs/dbraw/zinc/28/81/11/186288111.db2.gz BDGYATZGEIZUIY-LJQANCHMSA-N 1 0 306.409 3.509 50 0 DHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)C1 ZINC000237498054 186297733 /nfs/dbraw/zinc/29/77/33/186297733.db2.gz NCZUIKOAHMTTGZ-DOTOQJQBSA-N 1 0 308.425 3.553 50 0 DHAARO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000237497326 186297917 /nfs/dbraw/zinc/29/79/17/186297917.db2.gz CFUFKZZOSMBOBD-RDTXWAMCSA-N 1 0 318.436 3.515 50 0 DHAARO COc1ccccc1/C=C/C[NH+]1CCC(c2ccncc2)CC1 ZINC000072427413 191161849 /nfs/dbraw/zinc/16/18/49/191161849.db2.gz TZWHHKAHZXKFAS-GQCTYLIASA-N 1 0 308.425 3.983 50 0 DHAARO CN(Cc1ccccn1)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072476009 191178053 /nfs/dbraw/zinc/17/80/53/191178053.db2.gz AJPOCIRIQLMUOD-UHFFFAOYSA-N 1 0 301.478 3.702 50 0 DHAARO Cc1nccn1CCCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182097572 199386688 /nfs/dbraw/zinc/38/66/88/199386688.db2.gz GLQLVOPPHCCPQJ-QGZVFWFLSA-N 1 0 317.408 3.614 50 0 DHAARO c1ccc2cc(C[NH2+]CCc3ccc4c(c3)OCO4)ccc2c1 ZINC000002734987 180950681 /nfs/dbraw/zinc/95/06/81/180950681.db2.gz YNTZWNQSDCOJAX-UHFFFAOYSA-N 1 0 305.377 3.901 50 0 DHAARO CC[C@@H](C)[NH2+]CCCCOc1ccc(Br)cc1 ZINC000002823726 180961927 /nfs/dbraw/zinc/96/19/27/180961927.db2.gz MASXUXOPBHEMES-GFCCVEGCSA-N 1 0 300.240 3.996 50 0 DHAARO Cc1ccc(C(C)(C)C)c(OCCOCC[NH+]2CCCC2)c1 ZINC000003460915 181023484 /nfs/dbraw/zinc/02/34/84/181023484.db2.gz CPYUHASOAUNZKJ-UHFFFAOYSA-N 1 0 305.462 3.784 50 0 DHAARO COc1cc2c(cc1OC)[C@@H](Cc1c[nH]c3ccccc13)[NH2+]CC2 ZINC000003633778 181042854 /nfs/dbraw/zinc/04/28/54/181042854.db2.gz XVIUOHLUFLSLMA-GOSISDBHSA-N 1 0 322.408 3.615 50 0 DHAARO CCCCOc1ccc(Br)cc1CSC(N)=[NH2+] ZINC000004364450 181102847 /nfs/dbraw/zinc/10/28/47/181102847.db2.gz AOFTWMZIZMOCQH-UHFFFAOYSA-N 1 0 317.252 3.755 50 0 DHAARO CC(C)CC[NH2+][C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004673489 181134850 /nfs/dbraw/zinc/13/48/50/181134850.db2.gz HXADPMAIANZNBX-LJQANCHMSA-N 1 0 308.425 3.977 50 0 DHAARO O=C([C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCCC1 ZINC000004746208 181146775 /nfs/dbraw/zinc/14/67/75/181146775.db2.gz NDBPMLBDIHPRNW-LJQANCHMSA-N 1 0 322.452 3.674 50 0 DHAARO COc1ccc(C[NH2+]Cc2cc(C)c(OC)cc2C)cc1OC ZINC000004952828 181179152 /nfs/dbraw/zinc/17/91/52/181179152.db2.gz SEIJOPDMNDPVAA-UHFFFAOYSA-N 1 0 315.413 3.619 50 0 DHAARO CC(C)(C)c1ccccc1OCCOCC[NH+]1CCCCC1 ZINC000004989573 181185892 /nfs/dbraw/zinc/18/58/92/181185892.db2.gz RYNHFUXHFQFPCD-UHFFFAOYSA-N 1 0 305.462 3.865 50 0 DHAARO CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1OC ZINC000004988967 181186185 /nfs/dbraw/zinc/18/61/85/181186185.db2.gz NCPQXAOTCNIGGM-UHFFFAOYSA-N 1 0 315.413 3.735 50 0 DHAARO CCC[NH+]1CCN(C(=S)Nc2cccc3ccccc32)CC1 ZINC000005041308 181195510 /nfs/dbraw/zinc/19/55/10/181195510.db2.gz ZQPSHABEAUCXCI-UHFFFAOYSA-N 1 0 313.470 3.564 50 0 DHAARO COc1cc2cccnc2c(N[C@@H](C)CCC[NH2+]C(C)C)c1 ZINC000005138339 181208486 /nfs/dbraw/zinc/20/84/86/181208486.db2.gz FXVNYPZBTGPKQO-AWEZNQCLSA-N 1 0 301.434 3.822 50 0 DHAARO Cc1cccc([C@H]2CCCCCN2C(=O)CC2CC[NH2+]CC2)c1 ZINC000237795456 202358396 /nfs/dbraw/zinc/35/83/96/202358396.db2.gz OOSPBSGFKLGGTP-LJQANCHMSA-N 1 0 314.473 3.828 50 0 DHAARO Cc1ccc(Oc2ccccc2)c(NC(=O)C2CC[NH2+]CC2)c1 ZINC000237805775 202359289 /nfs/dbraw/zinc/35/92/89/202359289.db2.gz SXCBERUCRQTINX-UHFFFAOYSA-N 1 0 310.397 3.725 50 0 DHAARO CCc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000241383568 202463081 /nfs/dbraw/zinc/46/30/81/202463081.db2.gz MWFZTPAVPAYYIA-CQSZACIVSA-N 1 0 308.425 3.985 50 0 DHAARO O[C@@H](COc1ccc2ccccc2c1Cl)C[NH+]1CCCCC1 ZINC000006000175 181305008 /nfs/dbraw/zinc/30/50/08/181305008.db2.gz RHMCDAJUMZVVKH-OAHLLOKOSA-N 1 0 319.832 3.719 50 0 DHAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000191096318 200627360 /nfs/dbraw/zinc/62/73/60/200627360.db2.gz QJYXBDCTBAXQDV-WMZOPIPTSA-N 1 0 306.494 3.606 50 0 DHAARO Cc1cccc(Cn2cc(C[NH2+]CCCCO)c3ccccc32)c1 ZINC000247929909 202699877 /nfs/dbraw/zinc/69/98/77/202699877.db2.gz QHTTULVZWKSSEW-UHFFFAOYSA-N 1 0 322.452 3.860 50 0 DHAARO CCOc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000006780231 181386878 /nfs/dbraw/zinc/38/68/78/181386878.db2.gz YKSDLEFNLYJLCO-FUHWJXTLSA-N 1 0 317.429 3.507 50 0 DHAARO Cc1ccc2[nH]c(C[NH2+][C@@H](c3ccccn3)C(C)C)cc(=O)c2c1 ZINC000091595583 193077654 /nfs/dbraw/zinc/07/76/54/193077654.db2.gz QQPCABZYJIZJSF-HXUWFJFHSA-N 1 0 321.424 3.718 50 0 DHAARO Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3cccnc3)cc(=O)c2c1 ZINC000092098813 193157836 /nfs/dbraw/zinc/15/78/36/193157836.db2.gz JNSPDTSONQHKIP-LJQANCHMSA-N 1 0 319.408 3.569 50 0 DHAARO CCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000007262358 181450240 /nfs/dbraw/zinc/45/02/40/181450240.db2.gz HQJDHVIZUAZOLH-UHFFFAOYSA-N 1 0 303.377 3.913 50 0 DHAARO CC(C)n1cc([C@H](C)[NH2+]CCc2cccc3cccnc32)cn1 ZINC000096476560 193662378 /nfs/dbraw/zinc/66/23/78/193662378.db2.gz KUVZDDSMBYYDRT-HNNXBMFYSA-N 1 0 308.429 3.906 50 0 DHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](C2CCCC2)C1 ZINC000012749674 181792305 /nfs/dbraw/zinc/79/23/05/181792305.db2.gz ZRLVGCJPINNMJD-HXUWFJFHSA-N 1 0 315.457 3.817 50 0 DHAARO COc1cccc([C@@H](CNc2nc3ccccc3o2)[NH+](C)C)c1 ZINC000012774886 181796049 /nfs/dbraw/zinc/79/60/49/181796049.db2.gz BDWOYWDOAQUQSF-MRXNPFEDSA-N 1 0 311.385 3.551 50 0 DHAARO Cc1ccc2c(=O)cc(C[N@@H+](C)Cc3ccc(F)cc3)[nH]c2c1C ZINC000015862324 182022674 /nfs/dbraw/zinc/02/26/74/182022674.db2.gz OOMYJXPLVONFJG-UHFFFAOYSA-N 1 0 324.399 3.916 50 0 DHAARO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000016346563 182041817 /nfs/dbraw/zinc/04/18/17/182041817.db2.gz DNTMWZRVBNXDIU-LSDHHAIUSA-N 1 0 316.470 3.754 50 0 DHAARO CCc1c(C)scc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000016604852 182052319 /nfs/dbraw/zinc/05/23/19/182052319.db2.gz MHSCLTOJDVCWID-UHFFFAOYSA-N 1 0 320.502 3.709 50 0 DHAARO CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000016606806 182053500 /nfs/dbraw/zinc/05/35/00/182053500.db2.gz YJLAFHUKUSMRLZ-MRXNPFEDSA-N 1 0 302.462 3.512 50 0 DHAARO Cc1ccccc1C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019361485 182118727 /nfs/dbraw/zinc/11/87/27/182118727.db2.gz VNYSHKUXJFZSSL-UHFFFAOYSA-N 1 0 314.860 3.966 50 0 DHAARO c1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)nc1 ZINC000019361357 182119336 /nfs/dbraw/zinc/11/93/36/182119336.db2.gz XOFBOPUGVNDLOQ-UHFFFAOYSA-N 1 0 317.436 3.553 50 0 DHAARO c1ccc2cc(C[NH+]3CCN(Cc4cccnc4)CC3)ccc2c1 ZINC000019369888 182120299 /nfs/dbraw/zinc/12/02/99/182120299.db2.gz CASAHDOBHBVBJG-UHFFFAOYSA-N 1 0 317.436 3.553 50 0 DHAARO CCn1c2ccccc2c2cc(CN3CC[NH+](CC)CC3)ccc21 ZINC000019536562 182129213 /nfs/dbraw/zinc/12/92/13/182129213.db2.gz KUZPLZGTCFVSOM-UHFFFAOYSA-N 1 0 321.468 3.952 50 0 DHAARO O[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000019872557 182159327 /nfs/dbraw/zinc/15/93/27/182159327.db2.gz MVUURDWVSFYZHT-GOSISDBHSA-N 1 0 311.356 3.909 50 0 DHAARO CC[C@H](C)c1ccccc1OCCCC[NH+]1CCN(C)CC1 ZINC000020118137 182188939 /nfs/dbraw/zinc/18/89/39/182188939.db2.gz MHYJGFGMYIXMLH-KRWDZBQOSA-N 1 0 304.478 3.607 50 0 DHAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OC ZINC000020228219 182199252 /nfs/dbraw/zinc/19/92/52/182199252.db2.gz HLVUWQAZXUEITO-UHFFFAOYSA-N 1 0 323.795 3.829 50 0 DHAARO Cc1ccccc1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000020405007 182214862 /nfs/dbraw/zinc/21/48/62/182214862.db2.gz OQFMIQPQTVSISB-UHFFFAOYSA-N 1 0 323.465 3.927 50 0 DHAARO CC(C)n1cc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)cn1 ZINC000020351528 182210354 /nfs/dbraw/zinc/21/03/54/182210354.db2.gz ZJGQTHALYHBPOP-IBGZPJMESA-N 1 0 318.509 3.598 50 0 DHAARO Clc1ccc(-c2ccc(C[NH2+][C@@H]3CN4CCC3CC4)o2)cc1 ZINC000020477281 182221583 /nfs/dbraw/zinc/22/15/83/182221583.db2.gz CSURTDXXXYAHNH-QGZVFWFLSA-N 1 0 316.832 3.784 50 0 DHAARO O=C(Nc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000021117117 182265988 /nfs/dbraw/zinc/26/59/88/182265988.db2.gz RGZYINDRWOZCME-UHFFFAOYSA-N 1 0 315.461 3.807 50 0 DHAARO O=C(c1cccs1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170453 182268574 /nfs/dbraw/zinc/26/85/74/182268574.db2.gz CBWLDACJAQNNJU-HNNXBMFYSA-N 1 0 306.475 3.619 50 0 DHAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]CCc1ccccc1 ZINC000023424870 182360838 /nfs/dbraw/zinc/36/08/38/182360838.db2.gz RPQZIPCXTKXENC-UHFFFAOYSA-N 1 0 305.853 3.833 50 0 DHAARO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000024751396 182389838 /nfs/dbraw/zinc/38/98/38/182389838.db2.gz RJAZODQKSKXXPD-UHFFFAOYSA-N 1 0 311.429 3.591 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000040007697 183027543 /nfs/dbraw/zinc/02/75/43/183027543.db2.gz LMFVHFTYVVTBIC-FUHWJXTLSA-N 1 0 300.446 3.542 50 0 DHAARO COCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC000040001158 183027791 /nfs/dbraw/zinc/02/77/91/183027791.db2.gz WERNXQIMYLJWAW-UHFFFAOYSA-N 1 0 321.424 3.521 50 0 DHAARO O=C(CCC1CCCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000040160849 183041545 /nfs/dbraw/zinc/04/15/45/183041545.db2.gz XALISLPCKDERLD-QGZVFWFLSA-N 1 0 318.461 3.893 50 0 DHAARO CC(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000040088599 183032660 /nfs/dbraw/zinc/03/26/60/183032660.db2.gz HWILNISDNPPRPU-SFHVURJKSA-N 1 0 305.368 3.911 50 0 DHAARO Clc1ccc(OC[C@@H]2CC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000042773746 183306609 /nfs/dbraw/zinc/30/66/09/183306609.db2.gz GRQYWKPTPRCABS-OAHLLOKOSA-N 1 0 301.817 3.919 50 0 DHAARO CCCc1cc(Br)ccc1OCC1CC[NH2+]CC1 ZINC000042774483 183307617 /nfs/dbraw/zinc/30/76/17/183307617.db2.gz WTDBSAMSKMGMQW-UHFFFAOYSA-N 1 0 312.251 3.780 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CCC2)C1 ZINC000048313382 183642681 /nfs/dbraw/zinc/64/26/81/183642681.db2.gz CGKXGEHWHBMPTD-HZPDHXFCSA-N 1 0 314.473 3.581 50 0 DHAARO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000058167350 184083951 /nfs/dbraw/zinc/08/39/51/184083951.db2.gz KQJHYRJEUXJJMC-GOEBONIOSA-N 1 0 323.483 3.524 50 0 DHAARO Cc1ccsc1C[N@H+](Cc1cccc(C(N)=O)c1)C(C)C ZINC000058136845 184080027 /nfs/dbraw/zinc/08/00/27/184080027.db2.gz KLHAZWJMPLRWDU-UHFFFAOYSA-N 1 0 302.443 3.566 50 0 DHAARO CC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058289632 184100376 /nfs/dbraw/zinc/10/03/76/184100376.db2.gz ZQNIVUINEKKDOF-AWEZNQCLSA-N 1 0 308.491 3.513 50 0 DHAARO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C(C)(C)C ZINC000058296777 184102618 /nfs/dbraw/zinc/10/26/18/184102618.db2.gz AQQFUJROTJLUDM-UHFFFAOYSA-N 1 0 306.475 3.528 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCCCCC2)cc1 ZINC000058467519 184119533 /nfs/dbraw/zinc/11/95/33/184119533.db2.gz ZHVHAEVKVDYWHA-UHFFFAOYSA-N 1 0 317.477 3.614 50 0 DHAARO CC(C)(C)[N@@H+]1CCCN(Cc2nc3ccccc3s2)CC1 ZINC000060211331 184145263 /nfs/dbraw/zinc/14/52/63/184145263.db2.gz YSDUITJVRYMSFZ-UHFFFAOYSA-N 1 0 303.475 3.603 50 0 DHAARO C[C@@H](O)C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000061011963 184159466 /nfs/dbraw/zinc/15/94/66/184159466.db2.gz FCVGEBBPOYXONE-SECBINFHSA-N 1 0 300.185 3.724 50 0 DHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000064461514 184297769 /nfs/dbraw/zinc/29/77/69/184297769.db2.gz CYAZDZCKJXCXFN-UXLLHSPISA-N 1 0 301.434 3.556 50 0 DHAARO Cc1ccsc1C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000065287946 184322469 /nfs/dbraw/zinc/32/24/69/184322469.db2.gz DLOKORYGRHSUPU-AWEZNQCLSA-N 1 0 304.463 3.609 50 0 DHAARO COc1ccc(C[N@H+](C)[C@@H](C)c2c(C)nn(C)c2C)c(C)c1C ZINC000065374949 184331459 /nfs/dbraw/zinc/33/14/59/184331459.db2.gz UQFFHGOVWIKXLZ-HNNXBMFYSA-N 1 0 315.461 3.855 50 0 DHAARO Cc1nn(CC[NH2+][C@H](C)Cc2ccccc2F)c(C)c1Cl ZINC000065461465 184348974 /nfs/dbraw/zinc/34/89/74/184348974.db2.gz CBQJVLRSOMVETG-LLVKDONJSA-N 1 0 309.816 3.513 50 0 DHAARO COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[C@H](CO)CC3)oc21 ZINC000181896759 256590787 /nfs/dbraw/zinc/59/07/87/256590787.db2.gz YPVRDDJUTNTINM-KCQAQPDRSA-N 1 0 303.402 3.643 50 0 DHAARO CCCCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000006721904 257137668 /nfs/dbraw/zinc/13/76/68/257137668.db2.gz BGRBXELRMMVNBC-AEFFLSMTSA-N 1 0 300.446 3.710 50 0 DHAARO CCOC(=O)[C@H]1C(=[NH2+])c2cc(OC)ccc2[C@@H]1Cc1ccccc1 ZINC000524735315 257213624 /nfs/dbraw/zinc/21/36/24/257213624.db2.gz RHSZUNZXRSUSGK-FUHWJXTLSA-N 1 0 323.392 3.582 50 0 DHAARO C[C@@H](c1ccc(-c2ccc(CC(N)=O)cc2)cc1)[NH+]1CCCCC1 ZINC000426443395 257250128 /nfs/dbraw/zinc/25/01/28/257250128.db2.gz OUNVISZFBRETHF-INIZCTEOSA-N 1 0 322.452 3.928 50 0 DHAARO C[C@H](c1ccc(-c2ccc(CC(N)=O)cc2)cc1)[NH+]1CCCCC1 ZINC000426443396 257250304 /nfs/dbraw/zinc/25/03/04/257250304.db2.gz OUNVISZFBRETHF-MRXNPFEDSA-N 1 0 322.452 3.928 50 0 DHAARO C[C@H](c1ccc(-c2cc(CO)ncc2F)cc1)[NH+]1CCCC1 ZINC000426382904 257252087 /nfs/dbraw/zinc/25/20/87/257252087.db2.gz KGBIQVRWUHBRQW-CYBMUJFWSA-N 1 0 300.377 3.537 50 0 DHAARO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[C@H](O)CC3)oc21 ZINC000252486932 257257937 /nfs/dbraw/zinc/25/79/37/257257937.db2.gz OTYVJBCRDNIJPN-QEJZJMRPSA-N 1 0 303.402 3.786 50 0 DHAARO Clc1ccc([C@H](C[NH2+]C2CCOCC2)N2CCCCC2)cc1 ZINC000534634708 334308768 /nfs/dbraw/zinc/30/87/68/334308768.db2.gz BBWNATDOIOCOJH-SFHVURJKSA-N 1 0 322.880 3.636 50 0 DHAARO COc1ccc([C@@H](C)[NH2+]Cc2cccnc2C)c(C)c1OC ZINC000342309222 334527518 /nfs/dbraw/zinc/52/75/18/334527518.db2.gz TVFYFHPUUNSGFN-CQSZACIVSA-N 1 0 300.402 3.566 50 0 DHAARO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1ccc3occc3c1)CC2 ZINC000368511686 336846411 /nfs/dbraw/zinc/84/64/11/336846411.db2.gz LYVFFZHUGXEXLW-KRWDZBQOSA-N 1 0 309.413 3.857 50 0 DHAARO COc1ccccc1N1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000012383496 340674817 /nfs/dbraw/zinc/67/48/17/340674817.db2.gz GWYZUWALQDLSLF-KRWDZBQOSA-N 1 0 310.441 3.621 50 0 DHAARO C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000237434138 526109734 /nfs/dbraw/zinc/10/97/34/526109734.db2.gz XCXBACQGNHRYGS-JHJVBQTASA-N 1 0 306.837 3.519 50 0 DHAARO Clc1ccc(OCC[NH2+]C[C@H]2CCCO2)c2ccccc12 ZINC000003003927 563635533 /nfs/dbraw/zinc/63/55/33/563635533.db2.gz GKSQBUOGEYALMY-CYBMUJFWSA-N 1 0 305.805 3.641 50 0 DHAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COC(C)C ZINC000036100042 563893990 /nfs/dbraw/zinc/89/39/90/563893990.db2.gz UJRVHLOCCCJMDG-IBGZPJMESA-N 1 0 307.478 3.629 50 0 DHAARO Cc1ccc(Cl)c(NC(=O)C[NH2+]C2CCCC2)c1Cl ZINC000037386840 563917161 /nfs/dbraw/zinc/91/71/61/563917161.db2.gz HIIOVKAYAMEMEM-UHFFFAOYSA-N 1 0 301.217 3.773 50 0 DHAARO Cc1cc(C[NH+]2CCC(OC3CCOCC3)CC2)ccc1Cl ZINC000097057364 563504776 /nfs/dbraw/zinc/50/47/76/563504776.db2.gz ZRYHGJJZWMRBPL-UHFFFAOYSA-N 1 0 323.864 3.808 50 0 DHAARO COc1cccc(CNc2ccc3c(c2)[nH+]c(C)n3C)c1OC ZINC000000082128 563214745 /nfs/dbraw/zinc/21/47/45/563214745.db2.gz ABPPZBWHTXZLOV-UHFFFAOYSA-N 1 0 311.385 3.511 50 0 DHAARO Fc1cccc(F)c1CSc1ccccc1C1=[NH+]CCCN1 ZINC000000139183 563222654 /nfs/dbraw/zinc/22/26/54/563222654.db2.gz IIXSESNTPZDVOB-UHFFFAOYSA-N 1 0 318.392 3.997 50 0 DHAARO COc1ccc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000000316339 563240423 /nfs/dbraw/zinc/24/04/23/563240423.db2.gz XJXSTGUGODMAQP-UHFFFAOYSA-N 1 0 324.468 3.792 50 0 DHAARO O=C(CC[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000000503357 563263587 /nfs/dbraw/zinc/26/35/87/563263587.db2.gz RWKADYAUQPUXND-UHFFFAOYSA-N 1 0 310.235 3.898 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccccc1Cl ZINC000002164612 563300817 /nfs/dbraw/zinc/30/08/17/563300817.db2.gz KMAYEKNQNBATSW-CYBMUJFWSA-N 1 0 309.841 3.726 50 0 DHAARO CC1(C)C[C@@](CC[NH3+])(c2cccc(C(F)(F)F)c2)CCO1 ZINC000002416164 563303466 /nfs/dbraw/zinc/30/34/66/563303466.db2.gz CFLWWOUJHSGOBX-HNNXBMFYSA-N 1 0 301.352 3.881 50 0 DHAARO CC(C)(C)[NH2+]CCCCOc1ccc(Br)cc1 ZINC000002495004 563304596 /nfs/dbraw/zinc/30/45/96/563304596.db2.gz IIOCIJCOLOVZJE-UHFFFAOYSA-N 1 0 300.240 3.996 50 0 DHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000002515090 563306126 /nfs/dbraw/zinc/30/61/26/563306126.db2.gz VUJFQCQPVIYONV-UHFFFAOYSA-N 1 0 301.336 3.792 50 0 DHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1cc(F)cc(F)c1 ZINC000002515091 563306179 /nfs/dbraw/zinc/30/61/79/563306179.db2.gz GXPQFCCEPZNKFJ-UHFFFAOYSA-N 1 0 301.336 3.792 50 0 DHAARO CC(C)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000002692866 563311212 /nfs/dbraw/zinc/31/12/12/563311212.db2.gz MXEAGZWZLNDZPO-APWZRJJASA-N 1 0 313.441 3.901 50 0 DHAARO CCCCOc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)cc1 ZINC000584904395 563338806 /nfs/dbraw/zinc/33/88/06/563338806.db2.gz COKPFBSWXKLWQT-LPHOPBHVSA-N 1 0 302.462 3.534 50 0 DHAARO COc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010336027 563355882 /nfs/dbraw/zinc/35/58/82/563355882.db2.gz NODVQIGFJWASSI-UHFFFAOYSA-N 1 0 324.424 3.933 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)[nH]1 ZINC000011817074 563359976 /nfs/dbraw/zinc/35/99/76/563359976.db2.gz AWVGPOKARKRIDF-CQSZACIVSA-N 1 0 319.399 3.841 50 0 DHAARO CSCCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000011838249 563360020 /nfs/dbraw/zinc/36/00/20/563360020.db2.gz WEFFDNPZKFHSGQ-CQSZACIVSA-N 1 0 311.878 3.988 50 0 DHAARO CCn1ccnc1C[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000012303110 563366445 /nfs/dbraw/zinc/36/64/45/563366445.db2.gz UHXWQVSISAVKEC-INIZCTEOSA-N 1 0 315.436 3.887 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000012382545 563367846 /nfs/dbraw/zinc/36/78/46/563367846.db2.gz YUSUOGWMUCEXST-UHFFFAOYSA-N 1 0 315.244 3.596 50 0 DHAARO O=C(NC[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000012458816 563369622 /nfs/dbraw/zinc/36/96/22/563369622.db2.gz GEHXVKCRMFFFPT-OAHLLOKOSA-N 1 0 318.436 3.600 50 0 DHAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012435336 563369892 /nfs/dbraw/zinc/36/98/92/563369892.db2.gz ZXCFLHNOPYRADT-LJQANCHMSA-N 1 0 312.461 3.620 50 0 DHAARO Cc1cc(C)cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000012974965 563376143 /nfs/dbraw/zinc/37/61/43/563376143.db2.gz OMHIJNRPZSZKBH-UHFFFAOYSA-N 1 0 322.452 3.829 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000013326015 563380676 /nfs/dbraw/zinc/38/06/76/563380676.db2.gz OTXZBLQXZJEXDX-UHFFFAOYSA-N 1 0 315.244 3.598 50 0 DHAARO O=C(c1ccc2ccccc2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000013745594 563388094 /nfs/dbraw/zinc/38/80/94/563388094.db2.gz AAJVNUHLLWIHMJ-UHFFFAOYSA-N 1 0 322.452 3.930 50 0 DHAARO COc1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1O ZINC000032735857 563388845 /nfs/dbraw/zinc/38/88/45/563388845.db2.gz WJOFLWBNFDJVDA-AWEZNQCLSA-N 1 0 301.411 3.728 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000032755352 563391595 /nfs/dbraw/zinc/39/15/95/563391595.db2.gz GSFSTPBMDAZBRL-WOJBJXKFSA-N 1 0 322.452 3.526 50 0 DHAARO Cc1ccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000032779520 563393251 /nfs/dbraw/zinc/39/32/51/563393251.db2.gz LSAQUXOVAHEDLP-UHFFFAOYSA-N 1 0 303.450 3.771 50 0 DHAARO c1ccc(CCC[C@@H]2C[N@@H+](C3CCSCC3)CCO2)cc1 ZINC000014960334 563404331 /nfs/dbraw/zinc/40/43/31/563404331.db2.gz HEUJGRSINBIVDW-GOSISDBHSA-N 1 0 305.487 3.606 50 0 DHAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](C2CCC2)CC1 ZINC000014977973 563404736 /nfs/dbraw/zinc/40/47/36/563404736.db2.gz CRCDEYISWJFNPA-UHFFFAOYSA-N 1 0 315.457 3.817 50 0 DHAARO C/C=C/c1ccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000020167273 563417030 /nfs/dbraw/zinc/41/70/30/563417030.db2.gz UXWDHYCZFMMUQB-HIFBNBFRSA-N 1 0 319.445 3.606 50 0 DHAARO CC[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000025553112 563423407 /nfs/dbraw/zinc/42/34/07/563423407.db2.gz SDWPQJDIGRLAPJ-XJKSGUPXSA-N 1 0 308.853 3.782 50 0 DHAARO C[N@H+](CCCc1ccccc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027290721 563427275 /nfs/dbraw/zinc/42/72/75/563427275.db2.gz IFQFOMZZASBCDB-UHFFFAOYSA-N 1 0 322.452 3.643 50 0 DHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cccs1 ZINC000027584189 563428727 /nfs/dbraw/zinc/42/87/27/563428727.db2.gz GKPSLPOBEAMFHS-ZDUSSCGKSA-N 1 0 320.483 3.767 50 0 DHAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCc2ccccc21 ZINC000029488886 563434731 /nfs/dbraw/zinc/43/47/31/563434731.db2.gz AGFZHTISROCYEO-HXUWFJFHSA-N 1 0 303.409 3.992 50 0 DHAARO C/C(=C/c1ccccc1)C[NH2+]CCc1nc2ccc(F)cc2n1C ZINC000072289945 563436369 /nfs/dbraw/zinc/43/63/69/563436369.db2.gz PFEFJIDKWRJXNX-QINSGFPZSA-N 1 0 323.415 3.948 50 0 DHAARO CCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000000568119 563448370 /nfs/dbraw/zinc/44/83/70/563448370.db2.gz BHCBMINIBNBATN-LPHOPBHVSA-N 1 0 313.441 3.730 50 0 DHAARO C[N@@H+]1CCCC[C@H]1COC(=O)c1sccc1SC(F)F ZINC000072310669 563449044 /nfs/dbraw/zinc/44/90/44/563449044.db2.gz PLFNVKBNNCNOCG-VIFPVBQESA-N 1 0 321.414 3.704 50 0 DHAARO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000049581112 563467437 /nfs/dbraw/zinc/46/74/37/563467437.db2.gz MTFCVOVRLIBVAP-JKSUJKDBSA-N 1 0 304.434 3.612 50 0 DHAARO CCC[N@H+](Cc1cc(C)nn1C)Cc1ccc(SC)cc1 ZINC000055119992 563471941 /nfs/dbraw/zinc/47/19/41/563471941.db2.gz DXFQCJGAVPUZBO-UHFFFAOYSA-N 1 0 303.475 3.863 50 0 DHAARO CC[C@H](C)[N@H+](Cc1c2ccccc2nn1C)Cc1ccncc1 ZINC000055393507 563475324 /nfs/dbraw/zinc/47/53/24/563475324.db2.gz QYUAFYSUCWWKFP-HNNXBMFYSA-N 1 0 308.429 3.769 50 0 DHAARO CC(C)c1nccc(CN(CC[NH+]2CCCCCC2)C(C)C)n1 ZINC000055383754 563475475 /nfs/dbraw/zinc/47/54/75/563475475.db2.gz JVQWXFUHAQZQND-UHFFFAOYSA-N 1 0 318.509 3.686 50 0 DHAARO CC[C@@H](C)[N@H+](Cc1c2ccccc2nn1C)Cc1ccncc1 ZINC000055393506 563475650 /nfs/dbraw/zinc/47/56/50/563475650.db2.gz QYUAFYSUCWWKFP-OAHLLOKOSA-N 1 0 308.429 3.769 50 0 DHAARO CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000096414872 563481054 /nfs/dbraw/zinc/48/10/54/563481054.db2.gz CZIMJLLPOPAHIJ-QGZVFWFLSA-N 1 0 322.399 3.503 50 0 DHAARO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ncc(C)s1)CCCO2 ZINC000096478440 563484290 /nfs/dbraw/zinc/48/42/90/563484290.db2.gz QSCGVVQWTAMJRX-HNNXBMFYSA-N 1 0 318.442 3.506 50 0 DHAARO COC(C)(C)C[C@H](C)[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000065375944 563486603 /nfs/dbraw/zinc/48/66/03/563486603.db2.gz GMHWUVNGQXJMIO-INIZCTEOSA-N 1 0 304.478 3.757 50 0 DHAARO CS[C@H](C)CC[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067654139 563488703 /nfs/dbraw/zinc/48/87/03/563488703.db2.gz NUEJFWUPPAQKJV-GFCCVEGCSA-N 1 0 307.438 3.789 50 0 DHAARO C[NH+](C)Cc1ccc(Oc2ccc(-c3ccccc3)nn2)cc1 ZINC000067723738 563489777 /nfs/dbraw/zinc/48/97/77/563489777.db2.gz SCWARJSXRVRIED-UHFFFAOYSA-N 1 0 305.381 3.998 50 0 DHAARO COc1ccccc1NC(=O)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000067784877 563490314 /nfs/dbraw/zinc/49/03/14/563490314.db2.gz QBLJBHNHQWIRQP-CQSZACIVSA-N 1 0 304.434 3.582 50 0 DHAARO Oc1cccc2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)nc12 ZINC000067881878 563493403 /nfs/dbraw/zinc/49/34/03/563493403.db2.gz BYMWITQZLUWLNG-KRWDZBQOSA-N 1 0 305.381 3.673 50 0 DHAARO Cc1cccc(N2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)c1C ZINC000067935084 563494024 /nfs/dbraw/zinc/49/40/24/563494024.db2.gz ZVPUHDPWRIGIOF-GOSISDBHSA-N 1 0 316.489 3.679 50 0 DHAARO Cc1nc(C[NH2+][C@@H](C)Cc2cccc(F)c2)nc2c1CCCC2 ZINC000067947794 563494172 /nfs/dbraw/zinc/49/41/72/563494172.db2.gz RRBBOBLACWOPPR-ZDUSSCGKSA-N 1 0 313.420 3.524 50 0 DHAARO Cc1oc(-c2ccc3ccccc3c2)nc1CN1CC[NH2+]C[C@H]1C ZINC000071315483 563498605 /nfs/dbraw/zinc/49/86/05/563498605.db2.gz UIEOYPDRZBJLIF-CQSZACIVSA-N 1 0 321.424 3.597 50 0 DHAARO CC(C)[C@H]1CN(Cc2cccc(Cl)n2)CCC[N@@H+]1CC1CC1 ZINC000071388649 563499098 /nfs/dbraw/zinc/49/90/98/563499098.db2.gz SGERUKFXNFLLQK-QGZVFWFLSA-N 1 0 321.896 3.677 50 0 DHAARO CCCCCC[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000071772064 563500419 /nfs/dbraw/zinc/50/04/19/563500419.db2.gz OIJJTCCRNKYZHW-CYBMUJFWSA-N 1 0 305.249 3.779 50 0 DHAARO CN(Cc1ccoc1)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000072408695 563503639 /nfs/dbraw/zinc/50/36/39/563503639.db2.gz XITFVLHNZPSFOI-UHFFFAOYSA-N 1 0 303.312 3.580 50 0 DHAARO CCOc1cc2c(cc1OC)[C@H](c1ccc(CC)cc1)[NH2+]CC2 ZINC000000034543 563505884 /nfs/dbraw/zinc/50/58/84/563505884.db2.gz OTMQDDADWVCUJS-FQEVSTJZSA-N 1 0 311.425 3.891 50 0 biogenic DHAARO Cc1nc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)co1 ZINC000077485346 563511221 /nfs/dbraw/zinc/51/12/21/563511221.db2.gz FCSPGUWHFVAMBQ-INIZCTEOSA-N 1 0 322.412 3.753 50 0 DHAARO CC[C@@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccsc1 ZINC000011438419 563526988 /nfs/dbraw/zinc/52/69/88/563526988.db2.gz AXSQWALQNCFPEB-HNNXBMFYSA-N 1 0 306.406 3.736 50 0 DHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NC1(c2ccccc2Cl)CC1 ZINC000095365697 563529845 /nfs/dbraw/zinc/52/98/45/563529845.db2.gz IXBPRGGZCREELO-AWEZNQCLSA-N 1 0 320.864 3.710 50 0 DHAARO CCCCn1nc(C2(c3ccccc3)CC2)nc1[C@H]1CC[C@@H]([NH3+])C1 ZINC000096149635 563534212 /nfs/dbraw/zinc/53/42/12/563534212.db2.gz YJQHGOINJDGFBJ-DOTOQJQBSA-N 1 0 324.472 3.753 50 0 DHAARO Cc1c[nH+]ccc1N1CCCN(c2nccc3ccccc32)CC1 ZINC000096180272 563535276 /nfs/dbraw/zinc/53/52/76/563535276.db2.gz HZLSMZXSQJSPPG-UHFFFAOYSA-N 1 0 318.424 3.655 50 0 DHAARO Cc1ccc(-c2ccc(CN3CCC[NH2+]CC3)o2)cc1Cl ZINC000097217596 563538456 /nfs/dbraw/zinc/53/84/56/563538456.db2.gz MZECGJBKWKZLOB-UHFFFAOYSA-N 1 0 304.821 3.704 50 0 DHAARO OCC[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000097604098 563540183 /nfs/dbraw/zinc/54/01/83/563540183.db2.gz GRYGUFOCZCHHHR-IBGZPJMESA-N 1 0 311.425 3.612 50 0 DHAARO Cc1ccsc1CN(C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000097744572 563541808 /nfs/dbraw/zinc/54/18/08/563541808.db2.gz LYFTWDKYRLZWOH-UHFFFAOYSA-N 1 0 318.442 3.518 50 0 DHAARO Cc1ccccc1-c1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)s1 ZINC000102067721 563558608 /nfs/dbraw/zinc/55/86/08/563558608.db2.gz ITRKOYKIXBKGKW-FICVDOATSA-N 1 0 314.454 3.606 50 0 DHAARO FC(F)(F)c1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113398770 563581768 /nfs/dbraw/zinc/58/17/68/563581768.db2.gz CJHORTJKHIWLII-UHFFFAOYSA-N 1 0 319.330 3.914 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)CC(C)C)c1ccccc1Cl ZINC000011917265 563602247 /nfs/dbraw/zinc/60/22/47/563602247.db2.gz SCILFBXBIZNPMV-INIZCTEOSA-N 1 0 310.869 3.885 50 0 DHAARO C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000128085464 563605137 /nfs/dbraw/zinc/60/51/37/563605137.db2.gz WWDJGBZWGWABDQ-XNPDXQRHSA-N 1 0 303.377 3.767 50 0 DHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CC(c2ccccc2F)C1 ZINC000128087460 563605255 /nfs/dbraw/zinc/60/52/55/563605255.db2.gz CWTVOXZOTDZFIR-WNZJFKNXSA-N 1 0 303.377 3.767 50 0 DHAARO C[C@@H]1C[C@H](N(C)Cc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000135132283 563608395 /nfs/dbraw/zinc/60/83/95/563608395.db2.gz GWOKUOYLVDTLMX-NVXWUHKLSA-N 1 0 315.486 3.628 50 0 DHAARO O=C(C[NH2+]C1CCCCC1)Nc1nc(-c2ccccc2)cs1 ZINC000000411818 563611635 /nfs/dbraw/zinc/61/16/35/563611635.db2.gz QSPFPWBSVQBMJF-UHFFFAOYSA-N 1 0 315.442 3.671 50 0 DHAARO CC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008717954 563625625 /nfs/dbraw/zinc/62/56/25/563625625.db2.gz OAELDSILLFHNED-UHFFFAOYSA-N 1 0 312.413 3.683 50 0 DHAARO OCC[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000000277913 563629117 /nfs/dbraw/zinc/62/91/17/563629117.db2.gz OKHJSYAOKCNNIV-UHFFFAOYSA-N 1 0 309.331 3.700 50 0 DHAARO COc1ccc(OC)c(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000004685502 563636992 /nfs/dbraw/zinc/63/69/92/563636992.db2.gz ITWXVUBECBLMQA-UHFFFAOYSA-N 1 0 301.430 3.618 50 0 DHAARO CN1CCn2c3ccc(C4CCCCC4)cc3c3c2C1=[NH+]CC3 ZINC000000486153 563647086 /nfs/dbraw/zinc/64/70/86/563647086.db2.gz NASIUFHIYPOURM-UHFFFAOYSA-N 1 0 307.441 3.937 50 0 biogenic DHAARO CC1=C(C)[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)N(CCC(C)C)C1=O ZINC000104130077 563672444 /nfs/dbraw/zinc/67/24/44/563672444.db2.gz QTRVLQKYYQBXGS-LBTBCDHLSA-N 1 0 306.494 3.952 50 0 DHAARO CC(C)CC[C@]1(CC[NH+]2CCOCC2)CCO[C@H](C(C)C)C1 ZINC000049762643 563702578 /nfs/dbraw/zinc/70/25/78/563702578.db2.gz WJJUOFFEYGAKBZ-OALUTQOASA-N 1 0 311.510 3.966 50 0 DHAARO O=c1cc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)[nH]c2ccccc12 ZINC000215257041 563704099 /nfs/dbraw/zinc/70/40/99/563704099.db2.gz CXAZKXGMZWVSKV-LJQANCHMSA-N 1 0 319.408 3.650 50 0 DHAARO COC[C@H](c1ccccn1)N(C)Cc1oc2ccccc2c1C ZINC000215452384 563705019 /nfs/dbraw/zinc/70/50/19/563705019.db2.gz UWBZUEIXDZZILZ-QGZVFWFLSA-N 1 0 310.397 3.956 50 0 DHAARO C[N@H+](CCc1ccccn1)Cc1cnc(C2CCCCC2)nc1 ZINC000215395844 563705683 /nfs/dbraw/zinc/70/56/83/563705683.db2.gz OBYSBJYMSBRMDB-UHFFFAOYSA-N 1 0 310.445 3.594 50 0 DHAARO COCCC[C@H]1CCCCN1Cc1c(F)cc(F)cc1F ZINC000215462996 563705738 /nfs/dbraw/zinc/70/57/38/563705738.db2.gz NWGVFILNNDBZSW-CYBMUJFWSA-N 1 0 301.352 3.885 50 0 DHAARO Cc1ccccc1-c1cccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000215601592 563706294 /nfs/dbraw/zinc/70/62/94/563706294.db2.gz YKAQAESAUOYTFP-IBGZPJMESA-N 1 0 322.452 3.892 50 0 DHAARO CCOc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000216287891 563709365 /nfs/dbraw/zinc/70/93/65/563709365.db2.gz WJHWMPIEJMYESD-INIZCTEOSA-N 1 0 322.880 3.799 50 0 DHAARO COc1cccc(CNc2[nH+]cc(-c3cccc(OC)c3)n2C)c1 ZINC000000819131 563721539 /nfs/dbraw/zinc/72/15/39/563721539.db2.gz ZPBSIGPZYKANOA-UHFFFAOYSA-N 1 0 323.396 3.716 50 0 DHAARO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(Br)s1 ZINC000221898982 563724029 /nfs/dbraw/zinc/72/40/29/563724029.db2.gz NBNASDKABFTIJP-GARJFASQSA-N 1 0 318.280 3.712 50 0 DHAARO COc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000025356244 563726392 /nfs/dbraw/zinc/72/63/92/563726392.db2.gz DWVQHVLTVGYLAX-HNNXBMFYSA-N 1 0 307.397 3.732 50 0 DHAARO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N2CCC[C@@H](C)C2)o1 ZINC000225444238 563755178 /nfs/dbraw/zinc/75/51/78/563755178.db2.gz KWNWWYGXJLABCM-NVXWUHKLSA-N 1 0 318.461 3.764 50 0 DHAARO Cc1nc(C)c(C[NH2+][C@H]2COc3ccc4ccccc4c3C2)o1 ZINC000685940342 563774590 /nfs/dbraw/zinc/77/45/90/563774590.db2.gz FGJRSPIAPVJJIB-OAHLLOKOSA-N 1 0 308.381 3.538 50 0 DHAARO C[N@H+](Cc1nc(Cl)ccc1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000096012994 563775070 /nfs/dbraw/zinc/77/50/70/563775070.db2.gz FAXDSRUDOPEUIA-FZZIBODNSA-N 1 0 315.244 3.634 50 0 DHAARO CC[C@@H](CO)[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247952390 563782234 /nfs/dbraw/zinc/78/22/34/563782234.db2.gz YQJNBTXVUAKOGF-IBGZPJMESA-N 1 0 322.452 3.859 50 0 DHAARO C[C@H](CCc1ccccc1)[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000248199723 563782723 /nfs/dbraw/zinc/78/27/23/563782723.db2.gz UOURFKGBHOLYSC-MRXNPFEDSA-N 1 0 320.440 3.593 50 0 DHAARO O=C(c1ccccc1)C1CC[NH+](Cn2cnc3ccccc32)CC1 ZINC000012533840 563798605 /nfs/dbraw/zinc/79/86/05/563798605.db2.gz TVFQUCSAXQOIDG-UHFFFAOYSA-N 1 0 319.408 3.589 50 0 DHAARO c1ccc([C@H]2O[n+]3ccccc3S[C@@H]2c2ccccc2)cc1 ZINC000001264347 563809895 /nfs/dbraw/zinc/80/98/95/563809895.db2.gz RRRKGNGJOTYDIV-RTBURBONSA-N 1 0 306.410 3.991 50 0 DHAARO Cc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000012767300 563826844 /nfs/dbraw/zinc/82/68/44/563826844.db2.gz JQEYJVYSHXVNGJ-UHFFFAOYSA-N 1 0 308.425 3.521 50 0 DHAARO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccncc1)c1cccs1 ZINC000084535732 563827590 /nfs/dbraw/zinc/82/75/90/563827590.db2.gz VSYDUZCZOGGNND-SFHVURJKSA-N 1 0 324.449 3.879 50 0 DHAARO CC[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000084734140 563830449 /nfs/dbraw/zinc/83/04/49/563830449.db2.gz BJIIIOCIGYJTQY-MLGOLLRUSA-N 1 0 305.372 3.780 50 0 DHAARO CC[C@@H]([NH2+]Cc1cc[nH]c1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000086254346 563844756 /nfs/dbraw/zinc/84/47/56/563844756.db2.gz KWSDZVXVSHIWKR-CABCVRRESA-N 1 0 312.335 3.635 50 0 DHAARO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1)c1cccs1 ZINC000012902185 563853265 /nfs/dbraw/zinc/85/32/65/563853265.db2.gz QTXCCJLRZSRDRE-KGLIPLIRSA-N 1 0 302.443 3.618 50 0 DHAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000012924739 563854557 /nfs/dbraw/zinc/85/45/57/563854557.db2.gz CPFFPUOUXLYVBL-QFBILLFUSA-N 1 0 308.425 3.701 50 0 DHAARO Cc1noc(C2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000053618265 563864258 /nfs/dbraw/zinc/86/42/58/563864258.db2.gz GIXNMWGCYVLLAO-LLVKDONJSA-N 1 0 305.809 3.972 50 0 DHAARO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H]([S@@](=O)CC)C1 ZINC000221901114 563869655 /nfs/dbraw/zinc/86/96/55/563869655.db2.gz QKFLPTYSNMBLRL-GIQLZXEWSA-N 1 0 313.532 3.739 50 0 DHAARO C[C@@H](NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000229719981 563870892 /nfs/dbraw/zinc/87/08/92/563870892.db2.gz HWDWPMVATXPVRF-YLJYHZDGSA-N 1 0 322.452 3.743 50 0 DHAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1)c1cnccn1 ZINC000090602924 563871526 /nfs/dbraw/zinc/87/15/26/563871526.db2.gz HPDNWOPSOCAKNI-IEZWGBDMSA-N 1 0 311.429 3.655 50 0 DHAARO O[C@@H](c1ccccc1)C1(C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000090770872 563875614 /nfs/dbraw/zinc/87/56/14/563875614.db2.gz QXBYARKTSBAARM-UXHICEINSA-N 1 0 307.437 3.647 50 0 DHAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000090845074 563876543 /nfs/dbraw/zinc/87/65/43/563876543.db2.gz QMCFYAZVLOMJEV-NJSLBKSFSA-N 1 0 324.424 3.860 50 0 DHAARO CC(C)[C@@H](c1ccccc1)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000242324328 563881004 /nfs/dbraw/zinc/88/10/04/563881004.db2.gz ZADZANFZYYXYBD-XLIONFOSSA-N 1 0 316.489 3.569 50 0 DHAARO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccnc1 ZINC000092741272 563882645 /nfs/dbraw/zinc/88/26/45/563882645.db2.gz IOZJKFFQOXQYPD-ZIAGYGMSSA-N 1 0 317.383 3.537 50 0 DHAARO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccnc1 ZINC000092741270 563882745 /nfs/dbraw/zinc/88/27/45/563882745.db2.gz IOZJKFFQOXQYPD-KGLIPLIRSA-N 1 0 317.383 3.537 50 0 DHAARO CC(C)[N@@H+](Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036103077 563893591 /nfs/dbraw/zinc/89/35/91/563893591.db2.gz OFJPXLWDVCHXJC-GOSISDBHSA-N 1 0 301.405 3.640 50 0 DHAARO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104105 563894419 /nfs/dbraw/zinc/89/44/19/563894419.db2.gz GIUZXZLZUNQGAT-QGZVFWFLSA-N 1 0 305.368 3.738 50 0 DHAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](C)O)c1 ZINC000036103978 563894459 /nfs/dbraw/zinc/89/44/59/563894459.db2.gz ANNPZWVNRIYKMO-MRXNPFEDSA-N 1 0 301.405 3.826 50 0 DHAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@H](C)O)c1 ZINC000036103980 563894466 /nfs/dbraw/zinc/89/44/66/563894466.db2.gz ANNPZWVNRIYKMO-INIZCTEOSA-N 1 0 301.405 3.826 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1 ZINC000169679202 563895168 /nfs/dbraw/zinc/89/51/68/563895168.db2.gz MAPZNZMWFKTVOB-DOTOQJQBSA-N 1 0 319.470 3.789 50 0 DHAARO CC[C@@H](C)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192845340 563897467 /nfs/dbraw/zinc/89/74/67/563897467.db2.gz WUCHDHYQEOUJMT-CYBMUJFWSA-N 1 0 315.417 3.723 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000036391747 563898015 /nfs/dbraw/zinc/89/80/15/563898015.db2.gz HFXCITHPWPIGGI-NUJGCVRESA-N 1 0 313.441 3.557 50 0 DHAARO Cc1ccccc1-c1cccc(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000170015792 563902689 /nfs/dbraw/zinc/90/26/89/563902689.db2.gz JGHRIKIHKORILC-IBGZPJMESA-N 1 0 313.466 3.620 50 0 DHAARO Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000170046775 563903068 /nfs/dbraw/zinc/90/30/68/563903068.db2.gz UXQHDZXJJFSRHY-UHFFFAOYSA-N 1 0 310.441 3.504 50 0 DHAARO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1cnc(C)s1 ZINC000170056724 563903300 /nfs/dbraw/zinc/90/33/00/563903300.db2.gz GWNXHFYUZMKKFN-HZMBPMFUSA-N 1 0 304.415 3.635 50 0 DHAARO c1cc2c(cc1CC[NH2+]C13CC4CC(CC(C4)C1)C3)OCCO2 ZINC000170600506 563907495 /nfs/dbraw/zinc/90/74/95/563907495.db2.gz ZXBIJTDEYZTDTL-UHFFFAOYSA-N 1 0 313.441 3.559 50 0 DHAARO c1coc(CNc2cc(C3CC3)[nH+]c(NCc3ccco3)n2)c1 ZINC000170613088 563908057 /nfs/dbraw/zinc/90/80/57/563908057.db2.gz JGETXNNJJULWOP-UHFFFAOYSA-N 1 0 310.357 3.764 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000009997207 563909246 /nfs/dbraw/zinc/90/92/46/563909246.db2.gz VPOMNMXMMBPQAE-PHIMTYICSA-N 1 0 315.244 3.910 50 0 DHAARO CCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000013322751 563909551 /nfs/dbraw/zinc/90/95/51/563909551.db2.gz SNLAQJGCVMNOPR-UHFFFAOYSA-N 1 0 309.841 3.680 50 0 DHAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000076056526 563912105 /nfs/dbraw/zinc/91/21/05/563912105.db2.gz VONAIJUBCQOQJP-DCGLDWPTSA-N 1 0 320.864 3.638 50 0 DHAARO C[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cccc(F)c1 ZINC000089905221 563912116 /nfs/dbraw/zinc/91/21/16/563912116.db2.gz VTWCBUDAHVXBSS-HNNXBMFYSA-N 1 0 309.388 3.921 50 0 DHAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000002823412 563913062 /nfs/dbraw/zinc/91/30/62/563913062.db2.gz YWJYJQXGEFJCAM-LLVKDONJSA-N 1 0 306.233 3.777 50 0 DHAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452429 563914887 /nfs/dbraw/zinc/91/48/87/563914887.db2.gz HZBZDYJCDBNHFG-HOTGVXAUSA-N 1 0 306.475 3.676 50 0 DHAARO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H]([S@](=O)CC)C1 ZINC000252512422 563916626 /nfs/dbraw/zinc/91/66/26/563916626.db2.gz QKFLPTYSNMBLRL-NOAAKOMESA-N 1 0 313.532 3.739 50 0 DHAARO CCC1(CC)CN(Cc2nnc(C3CC3)n2C2CC2)CCS1 ZINC000390833013 563916672 /nfs/dbraw/zinc/91/66/72/563916672.db2.gz APBBRCFPJNXKSU-UHFFFAOYSA-N 1 0 320.506 3.598 50 0 DHAARO Cc1c(O)ccc2c(C[NH+](CC(C)C)CC(C)C)cc(=O)oc12 ZINC000002211889 563918960 /nfs/dbraw/zinc/91/89/60/563918960.db2.gz ZBMPTHQUVQSLMM-UHFFFAOYSA-N 1 0 317.429 3.921 50 0 DHAARO O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccccc1F ZINC000007788424 563919226 /nfs/dbraw/zinc/91/92/26/563919226.db2.gz QMRGOKVHWMLKLJ-UHFFFAOYSA-N 1 0 316.351 3.568 50 0 DHAARO CCc1ccc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)o1 ZINC000195539747 563919585 /nfs/dbraw/zinc/91/95/85/563919585.db2.gz KJGQXTDEMBWLEA-GOSISDBHSA-N 1 0 309.413 3.649 50 0 DHAARO CCc1ccc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)o1 ZINC000195539746 563919606 /nfs/dbraw/zinc/91/96/06/563919606.db2.gz KJGQXTDEMBWLEA-SFHVURJKSA-N 1 0 309.413 3.649 50 0 DHAARO [NH3+][C@@H](CC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195544195 563919635 /nfs/dbraw/zinc/91/96/35/563919635.db2.gz WTHPQIOYMMPMPY-ROUUACIJSA-N 1 0 312.388 3.579 50 0 DHAARO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000195568850 563919774 /nfs/dbraw/zinc/91/97/74/563919774.db2.gz VKHCNQVUEUZTGC-KCQAQPDRSA-N 1 0 315.417 3.660 50 0 DHAARO CCOc1cc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)ccc1O ZINC000055028069 563926199 /nfs/dbraw/zinc/92/61/99/563926199.db2.gz UQNHPFXUEDWBHD-HXUWFJFHSA-N 1 0 320.392 3.774 50 0 DHAARO C[C@@H](c1cccnc1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278794594 563930877 /nfs/dbraw/zinc/93/08/77/563930877.db2.gz FGEHVOZDKUXFMF-AWEZNQCLSA-N 1 0 312.388 3.877 50 0 DHAARO Cc1cccc(N2CCC([NH2+][C@@H](C)Cc3ccsc3)CC2)n1 ZINC000095422607 563931415 /nfs/dbraw/zinc/93/14/15/563931415.db2.gz SMAOTQLODVHPAH-HNNXBMFYSA-N 1 0 315.486 3.641 50 0 DHAARO C[C@H](c1ccncc1)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000095957595 563932372 /nfs/dbraw/zinc/93/23/72/563932372.db2.gz JZNOIMYYVJHBNU-QGZVFWFLSA-N 1 0 321.468 3.917 50 0 DHAARO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc2ccccc2c1 ZINC000095956259 563932383 /nfs/dbraw/zinc/93/23/83/563932383.db2.gz ZWMFDGVWJDSXMR-GOSISDBHSA-N 1 0 304.393 3.695 50 0 DHAARO COc1ccccc1[C@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC000095964891 563932728 /nfs/dbraw/zinc/93/27/28/563932728.db2.gz PBMPSMYSGJPVTD-AWEZNQCLSA-N 1 0 302.443 3.758 50 0 DHAARO Cc1nc2c(s1)[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCC2 ZINC000095967162 563932933 /nfs/dbraw/zinc/93/29/33/563932933.db2.gz UAZBAKHXBSZLSP-AWEZNQCLSA-N 1 0 307.507 3.728 50 0 DHAARO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000095969293 563933416 /nfs/dbraw/zinc/93/34/16/563933416.db2.gz LDTQWKRPCJSWQI-LSDHHAIUSA-N 1 0 301.434 3.757 50 0 DHAARO CCC1=NO[C@H](C[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)C1 ZINC000095977349 563933707 /nfs/dbraw/zinc/93/37/07/563933707.db2.gz LSHQQKJICJYOKE-IBGZPJMESA-N 1 0 316.445 3.702 50 0 DHAARO FC(F)(F)Cn1cc2c(n1)[C@@H]([NH2+]Cc1ccccc1)CCC2 ZINC000096002737 563934636 /nfs/dbraw/zinc/93/46/36/563934636.db2.gz WIJUXBWXEPGDCE-AWEZNQCLSA-N 1 0 309.335 3.613 50 0 DHAARO COc1ccc(O)cc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000096006904 563934947 /nfs/dbraw/zinc/93/49/47/563934947.db2.gz RMWLNTJSFFBVFH-GTNSWQLSSA-N 1 0 301.361 3.878 50 0 DHAARO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(Cl)cc1 ZINC000002468609 563937951 /nfs/dbraw/zinc/93/79/51/563937951.db2.gz NRQJUWUODUFPCL-STQMWFEESA-N 1 0 309.841 3.724 50 0 DHAARO Cc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c(C)c1 ZINC000002476188 563938045 /nfs/dbraw/zinc/93/80/45/563938045.db2.gz SEPJUGHASWFWPQ-INIZCTEOSA-N 1 0 307.478 3.848 50 0 DHAARO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc(C)c1 ZINC000002618346 563939507 /nfs/dbraw/zinc/93/95/07/563939507.db2.gz ZUNCWOBGBSXZNJ-LJQANCHMSA-N 1 0 313.441 3.647 50 0 DHAARO Cc1cc(C)nc(C[N@@H+](C)Cc2cn(C)nc2-c2ccccc2)c1 ZINC000670449149 563944415 /nfs/dbraw/zinc/94/44/15/563944415.db2.gz PJFHVUVSYXFDCP-UHFFFAOYSA-N 1 0 320.440 3.731 50 0 DHAARO COc1cccc(-c2cc(C[NH2+][C@H](C)CC(C)(C)OC)on2)c1 ZINC000670454811 563944797 /nfs/dbraw/zinc/94/47/97/563944797.db2.gz YIPLMIWXWPCOTO-CYBMUJFWSA-N 1 0 318.417 3.643 50 0 DHAARO COc1cccc(-c2cc(C[NH2+][C@@H](C)CC(C)(C)OC)on2)c1 ZINC000670454812 563944846 /nfs/dbraw/zinc/94/48/46/563944846.db2.gz YIPLMIWXWPCOTO-ZDUSSCGKSA-N 1 0 318.417 3.643 50 0 DHAARO CCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1 ZINC000008156571 563947039 /nfs/dbraw/zinc/94/70/39/563947039.db2.gz WEWSQMYJEXCTRJ-UHFFFAOYSA-N 1 0 313.788 3.891 50 0 DHAARO CC[NH+]1CCC(Nc2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000008761933 563950496 /nfs/dbraw/zinc/95/04/96/563950496.db2.gz TWNVTLRRSIEUDA-UHFFFAOYSA-N 1 0 324.350 3.545 50 0 DHAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000245253798 563952365 /nfs/dbraw/zinc/95/23/65/563952365.db2.gz FWSHCMODWGVIGW-ZBRFXRBCSA-N 1 0 311.510 3.842 50 0 DHAARO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@@H](C)n1cccn1 ZINC000069372158 563952702 /nfs/dbraw/zinc/95/27/02/563952702.db2.gz HVPSQQNRKUYCPR-ZIAGYGMSSA-N 1 0 312.442 3.746 50 0 DHAARO C[N@H+](Cc1cc(-c2ccccc2)no1)C1Cc2ccccc2C1 ZINC000069418394 563952770 /nfs/dbraw/zinc/95/27/70/563952770.db2.gz OJMBIWIUJOZBGI-UHFFFAOYSA-N 1 0 304.393 3.941 50 0 DHAARO COc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069696988 563954086 /nfs/dbraw/zinc/95/40/86/563954086.db2.gz NQZOOSQWDKAVMS-KRWDZBQOSA-N 1 0 324.424 3.513 50 0 DHAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000069814994 563954810 /nfs/dbraw/zinc/95/48/10/563954810.db2.gz ANOQGVUQBXHHJQ-STQMWFEESA-N 1 0 316.430 3.647 50 0 DHAARO CC(C)(C)c1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000069808457 563954834 /nfs/dbraw/zinc/95/48/34/563954834.db2.gz OJAMGIXCABRHQG-OAHLLOKOSA-N 1 0 315.461 3.686 50 0 DHAARO Cc1noc([C@@H](C)Nc2ccc([NH+]3CCCCCC3)cc2)n1 ZINC000070040615 563955736 /nfs/dbraw/zinc/95/57/36/563955736.db2.gz YALQDVNDYVHOQZ-CYBMUJFWSA-N 1 0 300.406 3.932 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000010329607 563958531 /nfs/dbraw/zinc/95/85/31/563958531.db2.gz SWMWGOHOJPAEKC-MRXNPFEDSA-N 1 0 320.795 3.512 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1cccs1)c1cccc2ccccc21 ZINC000010330464 563958553 /nfs/dbraw/zinc/95/85/53/563958553.db2.gz YLFLKXBUVZEYNR-KRWDZBQOSA-N 1 0 324.449 3.934 50 0 DHAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1cccs1 ZINC000071870454 563959477 /nfs/dbraw/zinc/95/94/77/563959477.db2.gz YEGIBBZXAWFRQE-IRXDYDNUSA-N 1 0 320.502 3.546 50 0 DHAARO CN(C)c1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000078552663 563961240 /nfs/dbraw/zinc/96/12/40/563961240.db2.gz MJPTUDCCUHXIEG-UHFFFAOYSA-N 1 0 324.403 3.572 50 0 DHAARO Clc1ccccc1OC1CCN(Cc2cscn2)CC1 ZINC000179008487 568414621 /nfs/dbraw/zinc/41/46/21/568414621.db2.gz MMPKCYWXRPOHON-UHFFFAOYSA-N 1 0 308.834 3.840 50 0 DHAARO C[C@H](Cc1ccccc1)[NH2+]CCC[NH2+][C@@H](C)Cc1ccccc1 ZINC000003058775 568416854 /nfs/dbraw/zinc/41/68/54/568416854.db2.gz XDCNUKURGSLYKZ-KDURUIRLSA-N 1 0 310.485 3.818 50 0 DHAARO Cc1ccc(SCCN2CC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000084180927 568417835 /nfs/dbraw/zinc/41/78/35/568417835.db2.gz GNUGYQNWSBUILC-KRWDZBQOSA-N 1 0 304.503 3.566 50 0 DHAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C[NH2+]C1CCN(C)CC1 ZINC000022077838 1013706706 /nfs/dbraw/zinc/70/67/06/1013706706.db2.gz XTSWVUOIBDKVOJ-HNNXBMFYSA-N 1 0 311.473 3.580 50 0 DHAARO Oc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000022078086 1013707843 /nfs/dbraw/zinc/70/78/43/1013707843.db2.gz NGYJTGSSRUQENM-UXHICEINSA-N 1 0 314.473 3.621 50 0 DHAARO CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000022147077 1013881772 /nfs/dbraw/zinc/88/17/72/1013881772.db2.gz FCQATVDOPYYSFE-MRXNPFEDSA-N 1 0 307.478 3.793 50 0 DHAARO Cc1cc2cc(NC(=O)[C@H](C)C[NH+]3CCCCC3)ccc2o1 ZINC000952868783 1032664963 /nfs/dbraw/zinc/66/49/63/1032664963.db2.gz TVDSRMNMEBIFRQ-CYBMUJFWSA-N 1 0 300.402 3.802 50 0 DHAARO Cc1cc2cc(NC(=O)[C@@H](C)C[NH+]3CCCCC3)ccc2o1 ZINC000952868789 1032664994 /nfs/dbraw/zinc/66/49/94/1032664994.db2.gz TVDSRMNMEBIFRQ-ZDUSSCGKSA-N 1 0 300.402 3.802 50 0 DHAARO CC1(C)C[C@H](C[NH2+]CC2(N3CCCCC3)CCCC2)CCO1 ZINC000952860705 1032666076 /nfs/dbraw/zinc/66/60/76/1032666076.db2.gz SGJYEYNVDTXLMX-QGZVFWFLSA-N 1 0 308.510 3.580 50 0 DHAARO O[C@@H](c1cccs1)C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000952870102 1032668392 /nfs/dbraw/zinc/66/83/92/1032668392.db2.gz RTSDBYVJQPQMQC-LJQANCHMSA-N 1 0 313.466 3.661 50 0 DHAARO c1cc2cccc(C[NH2+]CCN3CC[C@H](c4ccccc4)C3)c2[nH]1 ZINC000952965514 1032671004 /nfs/dbraw/zinc/67/10/04/1032671004.db2.gz AHDGSKCNDQWIQZ-FQEVSTJZSA-N 1 0 319.452 3.747 50 0 DHAARO CCCN1C[C@@H]([NH2+]Cc2cccc3c4ccccc4oc32)CC1=O ZINC000952963862 1032671925 /nfs/dbraw/zinc/67/19/25/1032671925.db2.gz LIUBHXKTZVSBPN-HNNXBMFYSA-N 1 0 322.408 3.687 50 0 DHAARO Cc1cccc(N2CCC([NH2+]Cc3coc(C(C)C)n3)CC2)c1 ZINC000952866401 1032672666 /nfs/dbraw/zinc/67/26/66/1032672666.db2.gz AADFVNIRGXZBBN-UHFFFAOYSA-N 1 0 313.445 3.865 50 0 DHAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000952976802 1032678617 /nfs/dbraw/zinc/67/86/17/1032678617.db2.gz IERSHQLVJOBFED-INIZCTEOSA-N 1 0 309.413 3.613 50 0 DHAARO COCC1(C[NH2+]Cc2nc3ccccc3n2CC(C)C)CCC1 ZINC000952979458 1032679220 /nfs/dbraw/zinc/67/92/20/1032679220.db2.gz PVTHRIMVGJPGAG-UHFFFAOYSA-N 1 0 315.461 3.599 50 0 DHAARO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CN=S(C)(C)=O)C1 ZINC000952994140 1032681171 /nfs/dbraw/zinc/68/11/71/1032681171.db2.gz VLSUNPHSEASGTC-DOTOQJQBSA-N 1 0 308.491 3.577 50 0 DHAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1ccnc2ccccc12 ZINC000952990901 1032685475 /nfs/dbraw/zinc/68/54/75/1032685475.db2.gz MUANOEGOEXJFSR-UHFFFAOYSA-N 1 0 308.429 3.639 50 0 DHAARO Clc1ccc(OCCCN2CCOCC2)c2ccccc12 ZINC000023115560 1017882875 /nfs/dbraw/zinc/88/28/75/1017882875.db2.gz GKYZNGWRCSCDDY-UHFFFAOYSA-N 1 0 305.805 3.594 50 0 DHAARO Cc1cccc(NC(=O)C[NH2+]C2(c3ccccc3)CCC2)c1C ZINC000194553829 1017905176 /nfs/dbraw/zinc/90/51/76/1017905176.db2.gz MXFGOSIKPDHCQT-UHFFFAOYSA-N 1 0 308.425 3.911 50 0 DHAARO Cc1cccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000012430834 1019945506 /nfs/dbraw/zinc/94/55/06/1019945506.db2.gz IACGAJKVHVLBNB-UHFFFAOYSA-N 1 0 309.453 3.812 50 0 DHAARO CCCC[N@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(CC)CC1 ZINC000012281163 1020010104 /nfs/dbraw/zinc/01/01/04/1020010104.db2.gz BFMXMAHYQBPNNM-GOSISDBHSA-N 1 0 302.462 3.690 50 0 DHAARO C[C@@H](Cc1ccsc1)NC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000821772442 1020271461 /nfs/dbraw/zinc/27/14/61/1020271461.db2.gz NQDIVHXZYAQNLL-HNNXBMFYSA-N 1 0 320.502 3.594 50 0 DHAARO COc1cncc(/C=C\CC[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000568388757 1020305953 /nfs/dbraw/zinc/30/59/53/1020305953.db2.gz ROONRGPMNPCZRO-GPCFVJJQSA-N 1 0 313.401 3.627 50 0 DHAARO CCCCN1C(=O)/C(=C/C=C2\CC(C)(C)C[N@@H+]2C)SC1=S ZINC000033921803 1020724950 /nfs/dbraw/zinc/72/49/50/1020724950.db2.gz UAAVMQTUBLHHRK-GUFPOKFQSA-N 1 0 324.515 3.776 50 0 DHAARO CCOC1CC(CC[NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000194968667 1020747369 /nfs/dbraw/zinc/74/73/69/1020747369.db2.gz UGBSGHULYYPWFW-JMLCCBQJSA-N 1 0 303.446 3.867 50 0 DHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3CCCC3)CC2)CC1 ZINC000581787987 1020906237 /nfs/dbraw/zinc/90/62/37/1020906237.db2.gz MZQQONGPTHGYHO-KRWDZBQOSA-N 1 0 306.494 3.537 50 0 DHAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581807772 1021849048 /nfs/dbraw/zinc/84/90/48/1021849048.db2.gz NTSSLFHSVDELRC-KRWDZBQOSA-N 1 0 315.461 3.813 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)c2cccs2)CC1 ZINC000581808691 1021851243 /nfs/dbraw/zinc/85/12/43/1021851243.db2.gz GWTNZYBZXRYFEP-UHFFFAOYSA-N 1 0 315.442 3.608 50 0 DHAARO OCC[C@H](C[NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1 ZINC000585135026 1022995922 /nfs/dbraw/zinc/99/59/22/1022995922.db2.gz UQAMHDPQYCDLLA-QUCCMNQESA-N 1 0 310.441 3.679 50 0 DHAARO c1cncc(-c2cccc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)c2)c1 ZINC000110701892 1023289344 /nfs/dbraw/zinc/28/93/44/1023289344.db2.gz FWHWKMMKKANTJE-PMACEKPBSA-N 1 0 308.425 3.750 50 0 DHAARO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1cccnc1 ZINC000048683253 1023804004 /nfs/dbraw/zinc/80/40/04/1023804004.db2.gz ATAFJXXHHNPNRC-CYBMUJFWSA-N 1 0 312.804 3.772 50 0 DHAARO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C3CCCCC3)s2)C1 ZINC000215050518 1024521272 /nfs/dbraw/zinc/52/12/72/1024521272.db2.gz MMXHYTVBFWJWAL-INIZCTEOSA-N 1 0 320.502 3.896 50 0 DHAARO CCn1ccc2cc(C[N@@H+]3CC[C@H](n4nc(C)cc4C)C3)ccc21 ZINC000216462979 1024534486 /nfs/dbraw/zinc/53/44/86/1024534486.db2.gz SDVJSAXYKMLCMV-IBGZPJMESA-N 1 0 322.456 3.922 50 0 DHAARO Fc1ccc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000006667623 1024923863 /nfs/dbraw/zinc/92/38/63/1024923863.db2.gz HTRPIRCFCUOPDK-FQEVSTJZSA-N 1 0 310.416 3.505 50 0 DHAARO Cc1cc(C)cc(C(O)(c2cc(C)cc(C)c2)[C@H]2CCC[NH2+]2)c1 ZINC000034370682 1025381210 /nfs/dbraw/zinc/38/12/10/1025381210.db2.gz MXIOBZPVLNQGIU-HXUWFJFHSA-N 1 0 309.453 3.908 50 0 DHAARO Cc1cnn(CC[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)c1 ZINC000123867709 1025515316 /nfs/dbraw/zinc/51/53/16/1025515316.db2.gz VCTNQOXMHAYWHJ-MRXNPFEDSA-N 1 0 319.836 3.657 50 0 DHAARO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@@H]1C[C@H]1c1cccs1 ZINC000841753474 1027209768 /nfs/dbraw/zinc/20/97/68/1027209768.db2.gz CWBNMOJKOTVFJJ-ZIEJDFEHSA-N 1 0 307.484 3.799 50 0 DHAARO CC[N@H+](Cc1ccc(C(=O)Nc2c[nH]nc2Cl)cc1)C(C)C ZINC000585080864 1029622417 /nfs/dbraw/zinc/62/24/17/1029622417.db2.gz WMIGMKSVRATFGU-UHFFFAOYSA-N 1 0 320.824 3.546 50 0 DHAARO Cc1ccc2c(c1)C[N@H+](C[C@@H](C)CC1CCOCC1)CCO2 ZINC000585084483 1029642652 /nfs/dbraw/zinc/64/26/52/1029642652.db2.gz FKEJOZIOKSWKQL-INIZCTEOSA-N 1 0 303.446 3.642 50 0 DHAARO C[C@@H](OCc1ccccc1)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000585093640 1029737849 /nfs/dbraw/zinc/73/78/49/1029737849.db2.gz UIDSVGUKZLKINS-OSGQAZFXSA-N 1 0 303.446 3.527 50 0 DHAARO COc1ccc([C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)on3)C2)cc1 ZINC000809939897 1034146988 /nfs/dbraw/zinc/14/69/88/1034146988.db2.gz YUKGBNRTNCIMLO-OAHLLOKOSA-N 1 0 314.429 3.970 50 0 DHAARO Cc1sc2ncnc(NCC(C)(C)[NH+]3CCCCC3)c2c1C ZINC000006949093 1035034830 /nfs/dbraw/zinc/03/48/30/1035034830.db2.gz SQJAHVRXNVVDLU-UHFFFAOYSA-N 1 0 318.490 3.985 50 0 DHAARO Cc1noc([C@@H]2C[N@H+](CCc3ccccc3)CC23CCCC3)n1 ZINC000257174226 1040662633 /nfs/dbraw/zinc/66/26/33/1040662633.db2.gz DPXJYHAJMJTQEX-KRWDZBQOSA-N 1 0 311.429 3.580 50 0 DHAARO CC[NH+]1CCC(n2nccc2NCc2ccc(Cl)cc2)CC1 ZINC000089977202 185273044 /nfs/dbraw/zinc/27/30/44/185273044.db2.gz QOFJLPPQJGAVCB-UHFFFAOYSA-N 1 0 318.852 3.805 50 0 DHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC000089948707 185270827 /nfs/dbraw/zinc/27/08/27/185270827.db2.gz RVJQIQFQXDVDQY-PMUMKWKESA-N 1 0 318.436 3.513 50 0 DHAARO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000090220868 185286953 /nfs/dbraw/zinc/28/69/53/185286953.db2.gz PUGUABGYFUOGDQ-YWZLYKJASA-N 1 0 305.468 3.653 50 0 DHAARO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000090726015 185311242 /nfs/dbraw/zinc/31/12/42/185311242.db2.gz OEXZSQPHTPQBBX-BDAKNGLRSA-N 1 0 306.244 3.990 50 0 DHAARO O=C(C[n+]1c(-c2ccccc2)cn2ccsc21)c1ccccc1 ZINC000004247325 190619363 /nfs/dbraw/zinc/61/93/63/190619363.db2.gz JDUPEAQJASAOKC-UHFFFAOYSA-N 1 0 319.409 3.838 50 0 DHAARO COc1ccc2cc(C[NH+]3CCC(n4ccnc4)CC3)ccc2c1 ZINC000092648428 185331428 /nfs/dbraw/zinc/33/14/28/185331428.db2.gz MDPMWBOJHKWXFE-UHFFFAOYSA-N 1 0 321.424 3.882 50 0 DHAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cnc(CC)s2)cc1 ZINC000095409408 185356958 /nfs/dbraw/zinc/35/69/58/185356958.db2.gz FPTPVHLPJFLZNO-GFCCVEGCSA-N 1 0 317.458 3.905 50 0 DHAARO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)CN1Cc1ccccc1 ZINC000095419366 185359692 /nfs/dbraw/zinc/35/96/92/185359692.db2.gz JAPHTMCASRQQGO-QFBILLFUSA-N 1 0 312.432 3.621 50 0 DHAARO COc1cccc2cc([C@H](C)[NH2+][C@H](C)C3CCOCC3)oc21 ZINC000095419649 185360146 /nfs/dbraw/zinc/36/01/46/185360146.db2.gz SJUDFDRNBYVODX-OLZOCXBDSA-N 1 0 303.402 3.907 50 0 DHAARO CSC(C)(C)C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095423530 185361042 /nfs/dbraw/zinc/36/10/42/185361042.db2.gz NVBUNBBXVRDICB-GFCCVEGCSA-N 1 0 321.490 3.763 50 0 DHAARO COc1ccccc1C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000097032742 185399514 /nfs/dbraw/zinc/39/95/14/185399514.db2.gz VVOWZRANAQBLFJ-IBGZPJMESA-N 1 0 313.441 3.714 50 0 DHAARO CCS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000108371648 185508518 /nfs/dbraw/zinc/50/85/18/185508518.db2.gz LMJQIDCAWGDGFR-VHDGCEQUSA-N 1 0 318.490 3.671 50 0 DHAARO CC(C)c1nccc(C[N@H+](C)Cc2cccc3cnccc32)n1 ZINC000071750143 191021802 /nfs/dbraw/zinc/02/18/02/191021802.db2.gz BJNBUBYMCQJHLM-UHFFFAOYSA-N 1 0 306.413 3.780 50 0 DHAARO CN1CCC([N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071759870 191026439 /nfs/dbraw/zinc/02/64/39/191026439.db2.gz JVKARXORRLXDAK-QGZVFWFLSA-N 1 0 304.453 3.565 50 0 DHAARO O=C(c1ccccc1)[C@H](C[NH+]1CCSCC1)c1ccccc1 ZINC000071770152 191030487 /nfs/dbraw/zinc/03/04/87/191030487.db2.gz OUDTYUYHBKMZIP-GOSISDBHSA-N 1 0 311.450 3.702 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000072117754 191038571 /nfs/dbraw/zinc/03/85/71/191038571.db2.gz AVSXQKVXXSQBMQ-KBPBESRZSA-N 1 0 323.868 3.830 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2c(F)ccc(F)c2Cl)C1 ZINC000072152289 191057617 /nfs/dbraw/zinc/05/76/17/191057617.db2.gz QTJHZDQUORXGKE-LLVKDONJSA-N 1 0 314.807 3.677 50 0 DHAARO CC1(C)CC(NC(=O)NCC2CCCCCCC2)CC(C)(C)[NH2+]1 ZINC000084673239 192454667 /nfs/dbraw/zinc/45/46/67/192454667.db2.gz AXHRSJGGTZRZPJ-UHFFFAOYSA-N 1 0 323.525 3.955 50 0 DHAARO Cc1cccc(C[NH2+][C@H]2CSC[C@H]2C)c1Br ZINC000253393516 186303407 /nfs/dbraw/zinc/30/34/07/186303407.db2.gz DYSKIDLOLXLQAJ-PWSUYJOCSA-N 1 0 300.265 3.599 50 0 DHAARO COc1cccc(O[C@H](C)CNC(=[NH2+])Cc2cccc(C)c2)c1 ZINC000000000846 180667588 /nfs/dbraw/zinc/66/75/88/180667588.db2.gz JRYTUFKIORWTNI-OAHLLOKOSA-N 1 0 312.413 3.580 50 0 in-man DHAARO COC(=O)c1ccc(C[N@H+](C)Cc2cccc3cnccc32)cc1 ZINC000072411530 191153980 /nfs/dbraw/zinc/15/39/80/191153980.db2.gz BVYNRPAAVHZHHA-UHFFFAOYSA-N 1 0 320.392 3.653 50 0 DHAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cn(C)nc1-c1ccccc1F ZINC000072431778 191165227 /nfs/dbraw/zinc/16/52/27/191165227.db2.gz SVFZCDMUSKLBEL-CQSZACIVSA-N 1 0 324.403 3.814 50 0 DHAARO COc1ccc(CN2CCCC[C@H]2CC[NH+](C)C)cc1Cl ZINC000072463494 191173995 /nfs/dbraw/zinc/17/39/95/191173995.db2.gz HKTCCWBKVGKKEO-HNNXBMFYSA-N 1 0 310.869 3.655 50 0 DHAARO CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2ccccc2Cl)N1O ZINC000000191942 180721108 /nfs/dbraw/zinc/72/11/08/180721108.db2.gz QTNMNIWZIRANDS-MRXNPFEDSA-N 1 0 316.788 3.822 50 0 DHAARO CC(C)CCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000000299306 180751573 /nfs/dbraw/zinc/75/15/73/180751573.db2.gz KMAOKULMVSSRTJ-UHFFFAOYSA-N 1 0 322.880 3.714 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c2ccccc12 ZINC000000811131 180833940 /nfs/dbraw/zinc/83/39/40/180833940.db2.gz RJMNRFYYYWPFQK-QFBILLFUSA-N 1 0 322.452 3.970 50 0 DHAARO COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000002898731 180968231 /nfs/dbraw/zinc/96/82/31/180968231.db2.gz WRUDCACOUHLUEZ-UHFFFAOYSA-N 1 0 310.397 3.517 50 0 DHAARO Cc1ccccc1N1C[C@@](O)(c2ccccc2)[N+]2=C1CCCCC2 ZINC000002974633 180973582 /nfs/dbraw/zinc/97/35/82/180973582.db2.gz ODAHCXRWMZFEPH-OAQYLSRUSA-N 1 0 321.444 3.645 50 0 DHAARO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000003571839 181036537 /nfs/dbraw/zinc/03/65/37/181036537.db2.gz HKAYEKUNHNEOOR-SFHVURJKSA-N 1 0 312.388 3.991 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000004011540 181061975 /nfs/dbraw/zinc/06/19/75/181061975.db2.gz FMTHLQDBSCILBQ-RHQZKXFESA-N 1 0 311.510 3.557 50 0 DHAARO Cc1cccc(C)c1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000004100075 181073428 /nfs/dbraw/zinc/07/34/28/181073428.db2.gz ONWOSAXAHZGWBZ-UHFFFAOYSA-N 1 0 315.461 3.786 50 0 DHAARO O[C@H](C[NH2+]C1CCCC1)COCCC12CC3CC(CC(C3)C1)C2 ZINC000004320493 181097058 /nfs/dbraw/zinc/09/70/58/181097058.db2.gz SCYMQUHOVOMRRN-OFGIBPIPSA-N 1 0 321.505 3.503 50 0 DHAARO [NH2+]=C1N=C2Sc3ccccc3N2[C@H](c2ccccc2Cl)N1 ZINC000004747290 181147625 /nfs/dbraw/zinc/14/76/25/181147625.db2.gz SAWOCHQAEXFKHE-CYBMUJFWSA-N 1 0 314.801 3.635 50 0 DHAARO C[C@@H]1C(c2ccc(Cl)cc2)[N+](=O)[C@](C)(c2ccccc2)N1O ZINC000004819963 181156713 /nfs/dbraw/zinc/15/67/13/181156713.db2.gz FLUZNXLMFXJQIA-SJKOYZFVSA-N 1 0 316.788 3.606 50 0 DHAARO Cc1ccc2c(c1)[C@@H](c1ccccc1)[C@@H]([NH+]1CCCCC1)C(=O)N2 ZINC000004889065 181168944 /nfs/dbraw/zinc/16/89/44/181168944.db2.gz QEGHIXFHUNLHMD-WOJBJXKFSA-N 1 0 320.436 3.934 50 0 DHAARO COc1cc2c(cc1OC)C[N@H+](Cc1sccc1C)CC2 ZINC000004977782 181182799 /nfs/dbraw/zinc/18/27/99/181182799.db2.gz HXTAAQOCNABTAJ-UHFFFAOYSA-N 1 0 303.427 3.632 50 0 DHAARO CCOc1c(C[NH2+]CCc2c[nH]c3ccccc23)cccc1OC ZINC000005019966 181191839 /nfs/dbraw/zinc/19/18/39/181191839.db2.gz VPTIWLFVVGUFLJ-UHFFFAOYSA-N 1 0 324.424 3.908 50 0 DHAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1C(C)(C)C ZINC000005049792 181196906 /nfs/dbraw/zinc/19/69/06/181196906.db2.gz HNHQAOOBEYWCDN-BBWFWOEESA-N 1 0 319.489 3.987 50 0 DHAARO C[C@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1cccnc1 ZINC000005249604 181221996 /nfs/dbraw/zinc/22/19/96/181221996.db2.gz YOGMQUBAEAYSMA-DAYGRLMNSA-N 1 0 300.446 3.757 50 0 DHAARO C[C@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000005696608 181273556 /nfs/dbraw/zinc/27/35/56/181273556.db2.gz GWNUICPJXVTDAU-LLVKDONJSA-N 1 0 300.324 3.518 50 0 DHAARO Cc1cccc([C@@H]2CCCCCN2C(=O)CC2CC[NH2+]CC2)c1 ZINC000237787091 202354760 /nfs/dbraw/zinc/35/47/60/202354760.db2.gz OOSPBSGFKLGGTP-IBGZPJMESA-N 1 0 314.473 3.828 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000006007998 181305406 /nfs/dbraw/zinc/30/54/06/181305406.db2.gz BXGXPPXTLUSKMR-JKSUJKDBSA-N 1 0 305.462 3.598 50 0 DHAARO Cc1cccc(-c2ccccc2C(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000244633250 202486229 /nfs/dbraw/zinc/48/62/29/202486229.db2.gz FZTNTFWENFLTJR-GOSISDBHSA-N 1 0 322.452 3.924 50 0 DHAARO C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)c1cccs1 ZINC000089910205 192904345 /nfs/dbraw/zinc/90/43/45/192904345.db2.gz LWMPEVUMCXGNIA-OAHLLOKOSA-N 1 0 311.454 3.886 50 0 DHAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006554897 181354241 /nfs/dbraw/zinc/35/42/41/181354241.db2.gz YLLWFPVPWZUFOD-BFUOFWGJSA-N 1 0 309.409 3.716 50 0 DHAARO Cc1cc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)ccc1C(C)C ZINC000006556584 181354347 /nfs/dbraw/zinc/35/43/47/181354347.db2.gz OJDWWRKFGQIMLD-NVXWUHKLSA-N 1 0 305.462 3.590 50 0 DHAARO CC[C@@H](CO)[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248124355 202723085 /nfs/dbraw/zinc/72/30/85/202723085.db2.gz WLAHKSSZFOGAAR-IBGZPJMESA-N 1 0 322.452 3.859 50 0 DHAARO COc1cccc(C[NH2+]C2CC2)c1OCc1ccccc1F ZINC000006702121 181373650 /nfs/dbraw/zinc/37/36/50/181373650.db2.gz AEXUJKACYNXLEA-UHFFFAOYSA-N 1 0 301.361 3.665 50 0 DHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)Nc1ccc(Cl)cc1 ZINC000006779491 181386513 /nfs/dbraw/zinc/38/65/13/181386513.db2.gz SGUPGDODTVAVCQ-ZDUSSCGKSA-N 1 0 311.857 3.972 50 0 DHAARO CCS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000091730994 193097764 /nfs/dbraw/zinc/09/77/64/193097764.db2.gz LMJQIDCAWGDGFR-AEGPPILISA-N 1 0 318.490 3.671 50 0 DHAARO Cc1ccc(C[N@@H+]2CC[C@H](Cc3cccc(CO)c3)C2)s1 ZINC000091745879 193100340 /nfs/dbraw/zinc/10/03/40/193100340.db2.gz PXEZEKYAXLVEDO-MRXNPFEDSA-N 1 0 301.455 3.613 50 0 DHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(Cl)c1C)C2 ZINC000092099766 193158540 /nfs/dbraw/zinc/15/85/40/193158540.db2.gz XFHWLSQLIBBINR-HUUCEWRRSA-N 1 0 320.864 3.595 50 0 DHAARO Clc1ccccc1Cn1cc[n+](COCc2ccccc2)c1 ZINC000261493045 203074311 /nfs/dbraw/zinc/07/43/11/203074311.db2.gz YXFOIHDYZMIOAX-UHFFFAOYSA-N 1 0 313.808 3.652 50 0 DHAARO CCOC[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093838681 193315037 /nfs/dbraw/zinc/31/50/37/193315037.db2.gz DKTXDJWVAFKCGU-HNNXBMFYSA-N 1 0 314.404 3.746 50 0 DHAARO CC(C)C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccccn1 ZINC000095968342 193465271 /nfs/dbraw/zinc/46/52/71/193465271.db2.gz KBCQHUNGCXEDIW-DLBZAZTESA-N 1 0 304.459 3.728 50 0 DHAARO COCc1ccccc1C[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000096008164 193488367 /nfs/dbraw/zinc/48/83/67/193488367.db2.gz PVFMGGWLXPAHOC-OAHLLOKOSA-N 1 0 323.440 3.820 50 0 DHAARO Cc1scc(C(=O)NC2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000016580608 182051155 /nfs/dbraw/zinc/05/11/55/182051155.db2.gz CNQZROLKWKRFRY-UHFFFAOYSA-N 1 0 314.454 3.548 50 0 DHAARO Cc1cc(C)c(C)c(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000016779369 182060580 /nfs/dbraw/zinc/06/05/80/182060580.db2.gz VJEUEFGJNQDZJV-GOSISDBHSA-N 1 0 305.462 3.616 50 0 DHAARO COc1cc(C[NH2+]Cc2cc(C)c(OC)cc2C)cc(OC)c1 ZINC000016671425 182056557 /nfs/dbraw/zinc/05/65/57/182056557.db2.gz VBLDEJZONDDRJY-UHFFFAOYSA-N 1 0 315.413 3.619 50 0 DHAARO OCC1(CCc2ccccc2)CC[NH+](C2CCSCC2)CC1 ZINC000019228868 182108735 /nfs/dbraw/zinc/10/87/35/182108735.db2.gz YOAMEXHSKKEZCL-UHFFFAOYSA-N 1 0 319.514 3.589 50 0 DHAARO Cc1noc(C)c1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000019229120 182108923 /nfs/dbraw/zinc/10/89/23/182108923.db2.gz VZTIYFZUYIUGFP-UHFFFAOYSA-N 1 0 302.393 3.885 50 0 DHAARO Cc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)s1 ZINC000019642757 182134498 /nfs/dbraw/zinc/13/44/98/182134498.db2.gz VEEYFFKSOWUCFH-INIZCTEOSA-N 1 0 318.461 3.950 50 0 DHAARO CCc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000019842352 182155657 /nfs/dbraw/zinc/15/56/57/182155657.db2.gz MPMHDLYFIOMWBE-UHFFFAOYSA-N 1 0 308.469 3.875 50 0 DHAARO Brc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019831791 182154602 /nfs/dbraw/zinc/15/46/02/182154602.db2.gz PTJQWZMPAINUAV-UHFFFAOYSA-N 1 0 323.278 3.509 50 0 DHAARO CC[C@@H](C)c1ccc(OCCCC[NH+]2CCN(C)CC2)cc1 ZINC000020118399 182189510 /nfs/dbraw/zinc/18/95/10/182189510.db2.gz LLFVWOBBQFDODP-QGZVFWFLSA-N 1 0 304.478 3.607 50 0 DHAARO COc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OC ZINC000020228221 182199270 /nfs/dbraw/zinc/19/92/70/182199270.db2.gz UKLCMVFSMKGFDX-UHFFFAOYSA-N 1 0 323.795 3.829 50 0 DHAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCCCC3)cc2)C1 ZINC000020456732 182219308 /nfs/dbraw/zinc/21/93/08/182219308.db2.gz IVXPWXABFYTTKK-QGZVFWFLSA-N 1 0 314.473 3.935 50 0 DHAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc(F)c1)[NH2+]CC2 ZINC000020506910 182225923 /nfs/dbraw/zinc/22/59/23/182225923.db2.gz IAURJNAXEQPYIE-IBGZPJMESA-N 1 0 315.388 3.858 50 0 DHAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccccc1Cl ZINC000021175315 182268156 /nfs/dbraw/zinc/26/81/56/182268156.db2.gz FCHUEDCGQOFVGL-ZDUSSCGKSA-N 1 0 321.852 3.726 50 0 DHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1OC ZINC000021720950 182286237 /nfs/dbraw/zinc/28/62/37/182286237.db2.gz HSZXKOOHYLCIKC-OAHLLOKOSA-N 1 0 300.402 3.891 50 0 DHAARO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000021578996 182280475 /nfs/dbraw/zinc/28/04/75/182280475.db2.gz GJZFCXFLSIUPBM-HOTGVXAUSA-N 1 0 314.473 3.617 50 0 DHAARO COc1cc2ccccc2cc1C(=O)OCC[N@H+](C)C(C)(C)C ZINC000022216126 182313270 /nfs/dbraw/zinc/31/32/70/182313270.db2.gz COTHFJRJBFBCRX-UHFFFAOYSA-N 1 0 315.413 3.736 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1cccc2ccccc21)c1cccs1 ZINC000022687785 182330337 /nfs/dbraw/zinc/33/03/37/182330337.db2.gz MFBBLTFBZUOBAM-KRWDZBQOSA-N 1 0 324.449 3.934 50 0 DHAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccccc1Cl ZINC000022455778 182322390 /nfs/dbraw/zinc/32/23/90/182322390.db2.gz RFWBHFARRHFEHN-UHFFFAOYSA-N 1 0 302.849 3.904 50 0 DHAARO c1cc(-c2nc3ccccc3c(NCC[NH+]3CCCC3)n2)cs1 ZINC000022815221 182336121 /nfs/dbraw/zinc/33/61/21/182336121.db2.gz JANZLBKPLRNSNS-UHFFFAOYSA-N 1 0 324.453 3.866 50 0 DHAARO COc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)ccc1O ZINC000023280335 182355780 /nfs/dbraw/zinc/35/57/80/182355780.db2.gz WGQHBJDZQCLEOZ-UHFFFAOYSA-N 1 0 313.372 3.829 50 0 DHAARO OC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000023279907 182355867 /nfs/dbraw/zinc/35/58/67/182355867.db2.gz CHKSXRXEXLKVCV-ZDUSSCGKSA-N 1 0 305.805 3.804 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1cccs1 ZINC000023105584 182347412 /nfs/dbraw/zinc/34/74/12/182347412.db2.gz AYBYRDRQKHPDPC-KRWDZBQOSA-N 1 0 324.449 3.934 50 0 DHAARO C[NH+](C)Cc1ccccc1NC(=O)c1cc2ccccc2cc1O ZINC000024811915 182391402 /nfs/dbraw/zinc/39/14/02/182391402.db2.gz FWUWEFXZLYLVBQ-UHFFFAOYSA-N 1 0 320.392 3.859 50 0 DHAARO CC(C)[NH+](CCNC(=O)C1(c2ccc(Cl)cc2)CC1)C(C)C ZINC000027456640 182473128 /nfs/dbraw/zinc/47/31/28/182473128.db2.gz PMUKXOVNYBUEOC-UHFFFAOYSA-N 1 0 322.880 3.607 50 0 DHAARO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccccc2Cl)c1C ZINC000034928767 182745485 /nfs/dbraw/zinc/74/54/85/182745485.db2.gz BFXGDQXAMJVFNZ-UHFFFAOYSA-N 1 0 320.820 3.751 50 0 DHAARO Cc1c(C)n(Cc2ccccn2)c2[nH+]c3c(c(N)c12)CCCC3 ZINC000040287428 183052141 /nfs/dbraw/zinc/05/21/41/183052141.db2.gz IAELGPPGZPDYBG-UHFFFAOYSA-N 1 0 306.413 3.557 50 0 DHAARO c1coc(CNc2nc(Nc3cc[nH+]cc3)nc3ccccc32)c1 ZINC000041151242 183178765 /nfs/dbraw/zinc/17/87/65/183178765.db2.gz VCPHAZNQRFUQBR-UHFFFAOYSA-N 1 0 317.352 3.974 50 0 DHAARO Cc1cc(OC[C@@H]2CC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042770268 183307059 /nfs/dbraw/zinc/30/70/59/183307059.db2.gz CQNOWUVPNZTBSY-SNVBAGLBSA-N 1 0 318.642 3.708 50 0 DHAARO Cc1ccc(C(=O)[C@@H]2C[NH+](C)C[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000052525324 183863272 /nfs/dbraw/zinc/86/32/72/183863272.db2.gz DHOWIUDKAWCXFP-RTBURBONSA-N 1 0 321.420 3.547 50 0 DHAARO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1nnc(-c2cccs2)o1 ZINC000110642494 194346162 /nfs/dbraw/zinc/34/61/62/194346162.db2.gz RTHSADNJNWBXEE-GHMZBOCLSA-N 1 0 309.460 3.514 50 0 DHAARO Cc1nc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000110669340 194348165 /nfs/dbraw/zinc/34/81/65/194348165.db2.gz PMLMDPDPFAPKBN-WMLDXEAASA-N 1 0 315.486 3.594 50 0 DHAARO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000058160074 184082051 /nfs/dbraw/zinc/08/20/51/184082051.db2.gz DTMCRDYHTUVPJB-ZIAGYGMSSA-N 1 0 310.397 3.567 50 0 DHAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)c1cccs1 ZINC000058405178 184113852 /nfs/dbraw/zinc/11/38/52/184113852.db2.gz LRVWBUUFQCLCGG-LBPRGKRZSA-N 1 0 306.479 3.522 50 0 DHAARO CC[C@H](C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000058405888 184113891 /nfs/dbraw/zinc/11/38/91/184113891.db2.gz UPGMDYHXTQQDAH-HOTGVXAUSA-N 1 0 304.478 3.793 50 0 DHAARO c1nc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cs1 ZINC000058432883 184117814 /nfs/dbraw/zinc/11/78/14/184117814.db2.gz FKVYUPHANAHTBM-KRWDZBQOSA-N 1 0 324.453 3.555 50 0 DHAARO CC(C)[C@H]1CCC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000063618620 184285785 /nfs/dbraw/zinc/28/57/85/184285785.db2.gz PHRZVRYZLVGKQK-CYBMUJFWSA-N 1 0 311.385 3.702 50 0 DHAARO Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000065365616 184329442 /nfs/dbraw/zinc/32/94/42/184329442.db2.gz IIYKWQPRUCWTQZ-UHFFFAOYSA-N 1 0 324.424 3.720 50 0 DHAARO Cc1ccc(-c2noc([C@@H](C)[NH2+]C3CCSCC3)n2)cc1 ZINC000065381686 184332170 /nfs/dbraw/zinc/33/21/70/184332170.db2.gz QCTLNRACSIMZDO-GFCCVEGCSA-N 1 0 303.431 3.591 50 0 DHAARO Cc1ccsc1[C@@H]1CC[N@H+](C/C=C/c2ccco2)C[C@H]1O ZINC000065499913 184355453 /nfs/dbraw/zinc/35/54/53/184355453.db2.gz BUISFIPZNSBPSE-DXBXVIHASA-N 1 0 303.427 3.513 50 0 DHAARO c1csc([C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C2CCCC2)c1 ZINC000069453549 184515751 /nfs/dbraw/zinc/51/57/51/184515751.db2.gz QFUSBZWHHUKGIT-CXAGYDPISA-N 1 0 316.474 3.507 50 0 DHAARO Cc1[nH]nc(C2CC2)c1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000426440199 257250553 /nfs/dbraw/zinc/25/05/53/257250553.db2.gz AIPHDWSXORCCMJ-CQSZACIVSA-N 1 0 311.429 3.656 50 0 DHAARO CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CC[C@H](O)CC3)oc21 ZINC000252486931 257258512 /nfs/dbraw/zinc/25/85/12/257258512.db2.gz OTYVJBCRDNIJPN-BPLDGKMQSA-N 1 0 303.402 3.786 50 0 DHAARO O=[N+]1C(c2cccc(C(F)(F)F)c2)=CN(O)[C@H]2CCCC[C@H]21 ZINC000334157314 257261769 /nfs/dbraw/zinc/26/17/69/257261769.db2.gz IQSMOYZICQIYJL-QWHCGFSZSA-N 1 0 313.299 3.799 50 0 DHAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000020855232 134649298 /nfs/dbraw/zinc/64/92/98/134649298.db2.gz IVENCIQHXQGCRS-OAHLLOKOSA-N 1 0 322.468 3.714 50 0 DHAARO Cc1ccc([C@H](C)[NH2+]CCc2nccn2Cc2ccccc2)o1 ZINC000095420013 332169994 /nfs/dbraw/zinc/16/99/94/332169994.db2.gz WWJRVQASSAKUIC-INIZCTEOSA-N 1 0 309.413 3.726 50 0 DHAARO C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)c1ccsc1 ZINC000095420009 332170147 /nfs/dbraw/zinc/17/01/47/332170147.db2.gz KFHKSIOKKIIYEL-OAHLLOKOSA-N 1 0 311.454 3.886 50 0 DHAARO CC[N@H+](Cc1nc(-c2ccccc2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289800658 334167864 /nfs/dbraw/zinc/16/78/64/334167864.db2.gz MWKICJIIPRIDCB-OAHLLOKOSA-N 1 0 315.417 3.516 50 0 DHAARO c1ccc(N2CC[C@H]([NH2+]CCCOC3CCCCC3)C2)cc1 ZINC000534631758 334307667 /nfs/dbraw/zinc/30/76/67/334307667.db2.gz VQTOJAPRWNJKAG-KRWDZBQOSA-N 1 0 302.462 3.594 50 0 DHAARO CC(C)CC1(NC(=O)N(C)[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000534665540 334318882 /nfs/dbraw/zinc/31/88/82/334318882.db2.gz PIUIMXYMNPJZGA-QGZVFWFLSA-N 1 0 317.477 3.509 50 0 DHAARO CCc1nc(C)c(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000534676165 334323323 /nfs/dbraw/zinc/32/33/23/334323323.db2.gz CVIKHTGZRPLOAU-AWEZNQCLSA-N 1 0 319.449 3.522 50 0 DHAARO Oc1ccc(CC[NH2+]Cc2cc(Cl)cc3cccnc32)cc1 ZINC000343818578 335195472 /nfs/dbraw/zinc/19/54/72/335195472.db2.gz WGDKIRSTXLZZDZ-UHFFFAOYSA-N 1 0 312.800 3.926 50 0 DHAARO CCOCC(C)(C)C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000344085321 335216532 /nfs/dbraw/zinc/21/65/32/335216532.db2.gz PVWPIVRMHIRBLH-MRXNPFEDSA-N 1 0 307.434 3.561 50 0 DHAARO CC1(CC(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CCCCC1 ZINC000333287974 336201131 /nfs/dbraw/zinc/20/11/31/336201131.db2.gz NVLFNYWYTIDGGW-UHFFFAOYSA-N 1 0 321.490 3.909 50 0 DHAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000468548654 339265948 /nfs/dbraw/zinc/26/59/48/339265948.db2.gz PPAUXARDTRQAMR-MRXNPFEDSA-N 1 0 302.462 3.601 50 0 DHAARO Cc1cccc2oc(CC[NH2+]CC3=Cc4ccccc4OC3)nc21 ZINC000266323248 524997364 /nfs/dbraw/zinc/99/73/64/524997364.db2.gz SMUUNLBGHYPSLE-UHFFFAOYSA-N 1 0 320.392 3.744 50 0 DHAARO CC(C)[C@@H](NC(=O)CC[NH+]1CCCCCCC1)c1cccnc1 ZINC000299761835 528543060 /nfs/dbraw/zinc/54/30/60/528543060.db2.gz ZXOIPEXEMJIWKQ-LJQANCHMSA-N 1 0 317.477 3.551 50 0 DHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249402909 563609677 /nfs/dbraw/zinc/60/96/77/563609677.db2.gz VMVTWQKWNLVPON-NDBYEHHHSA-N 1 0 305.340 3.802 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)C1CCCCC1 ZINC000108090045 563686741 /nfs/dbraw/zinc/68/67/41/563686741.db2.gz JZUWJAHQMDUHSO-PMPSAXMXSA-N 1 0 302.462 3.811 50 0 DHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000130223909 563881903 /nfs/dbraw/zinc/88/19/03/563881903.db2.gz MBRAPPMKHXNEQR-XJFOESAGSA-N 1 0 323.424 3.752 50 0 DHAARO Cc1ccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c(C)c1 ZINC000154709991 563894683 /nfs/dbraw/zinc/89/46/83/563894683.db2.gz YNZWBHUBAITRLX-NQIIRXRSSA-N 1 0 301.455 3.513 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000009997208 563909193 /nfs/dbraw/zinc/90/91/93/563909193.db2.gz VPOMNMXMMBPQAE-QWRGUYRKSA-N 1 0 315.244 3.910 50 0 DHAARO CCC[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000069703816 563954365 /nfs/dbraw/zinc/95/43/65/563954365.db2.gz IUXLYECLRJBZAW-HUUCEWRRSA-N 1 0 308.491 3.513 50 0 DHAARO Cc1ccc(NC(=O)CN(C)[C@@H](C)c2cccs2)c(F)c1 ZINC000009446094 563956064 /nfs/dbraw/zinc/95/60/64/563956064.db2.gz HXVHSEWJGGINEH-LBPRGKRZSA-N 1 0 306.406 3.827 50 0 DHAARO COc1cccc(C(=O)CC[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000000177639 563228219 /nfs/dbraw/zinc/22/82/19/563228219.db2.gz VWHWKEXIFJIXIB-GOSISDBHSA-N 1 0 309.409 3.758 50 0 DHAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000000207786 563230494 /nfs/dbraw/zinc/23/04/94/563230494.db2.gz INFVHZQTTPPRFA-UHFFFAOYSA-N 1 0 312.432 3.922 50 0 DHAARO CSc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000214810 563230999 /nfs/dbraw/zinc/23/09/99/563230999.db2.gz SOKGLRMXBPSWDE-UHFFFAOYSA-N 1 0 304.503 3.859 50 0 DHAARO C[C@H](Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000000214223 563231049 /nfs/dbraw/zinc/23/10/49/563231049.db2.gz RALQRWYQHVMNOT-OAHLLOKOSA-N 1 0 316.395 3.718 50 0 DHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000000277970 563235541 /nfs/dbraw/zinc/23/55/41/563235541.db2.gz VZLZWBUPBPQWIB-DQSGYLJSSA-N 1 0 314.473 3.670 50 0 DHAARO COc1ccccc1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000000514977 563264291 /nfs/dbraw/zinc/26/42/91/563264291.db2.gz MCCCVWFADSQLAH-UHFFFAOYSA-N 1 0 324.424 3.933 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000001229434 563280111 /nfs/dbraw/zinc/28/01/11/563280111.db2.gz ZYDIJYHBHFHSQJ-HDICACEKSA-N 1 0 300.490 3.671 50 0 DHAARO CC[NH+](CC)CCOC(=O)Nc1cccc(Cl)c1Cl ZINC000002171900 563301001 /nfs/dbraw/zinc/30/10/01/563301001.db2.gz VEWZCAAXWNXTKA-UHFFFAOYSA-N 1 0 305.205 3.884 50 0 DHAARO Fc1cccc(Cl)c1CSc1nnc([C@H]2CCC[NH2+]2)o1 ZINC000002365550 563303015 /nfs/dbraw/zinc/30/30/15/563303015.db2.gz IPGRASLNPAJUSV-LLVKDONJSA-N 1 0 313.785 3.579 50 0 DHAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cc(F)cc(F)c1 ZINC000002514590 563305057 /nfs/dbraw/zinc/30/50/57/563305057.db2.gz KRRCOINVEADLGF-UHFFFAOYSA-N 1 0 301.336 3.792 50 0 DHAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1F ZINC000002514588 563305246 /nfs/dbraw/zinc/30/52/46/563305246.db2.gz VICGPFJZPKCRNA-UHFFFAOYSA-N 1 0 301.336 3.792 50 0 DHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000002515092 563306207 /nfs/dbraw/zinc/30/62/07/563306207.db2.gz UDNPVRVMDISADN-UHFFFAOYSA-N 1 0 319.326 3.931 50 0 DHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC000034670271 563310815 /nfs/dbraw/zinc/31/08/15/563310815.db2.gz PCLRLNHWIHZLOW-GOSISDBHSA-N 1 0 324.424 3.524 50 0 DHAARO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000002760475 563312552 /nfs/dbraw/zinc/31/25/52/563312552.db2.gz GRXVDKKCUHKZAQ-UHFFFAOYSA-N 1 0 302.805 3.801 50 0 DHAARO CCc1ccc(N(C(C)=O)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034683066 563313012 /nfs/dbraw/zinc/31/30/12/563313012.db2.gz HGXCFAHBHUUZCI-UHFFFAOYSA-N 1 0 302.462 3.722 50 0 DHAARO C[C@H]1CCC[N@H+](CCC(=O)c2ccc(Br)cc2)C1 ZINC000002882016 563316726 /nfs/dbraw/zinc/31/67/26/563316726.db2.gz LTVWWXITZWRJJV-LBPRGKRZSA-N 1 0 310.235 3.754 50 0 DHAARO COCCC[NH2+]CCCCOc1ccc(Cl)c(Cl)c1 ZINC000003002108 563320549 /nfs/dbraw/zinc/32/05/49/563320549.db2.gz MISQTUVSTPBSHE-UHFFFAOYSA-N 1 0 306.233 3.779 50 0 DHAARO Cc1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000004980269 563328146 /nfs/dbraw/zinc/32/81/46/563328146.db2.gz WVQDMWKNUYRICD-UHFFFAOYSA-N 1 0 310.485 3.942 50 0 DHAARO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246882100 563342146 /nfs/dbraw/zinc/34/21/46/563342146.db2.gz CUIBYXPUUWNZBE-AKBNIOSXSA-N 1 0 321.509 3.516 50 0 DHAARO CC[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000007964209 563343296 /nfs/dbraw/zinc/34/32/96/563343296.db2.gz APAQGQQVPBJPJV-UHFFFAOYSA-N 1 0 308.425 3.568 50 0 DHAARO Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012201153 563364884 /nfs/dbraw/zinc/36/48/84/563364884.db2.gz NDAOIIFFMWSSRC-QGZVFWFLSA-N 1 0 314.473 3.912 50 0 DHAARO COc1cccc(N2CC[NH+](C[C@@H](C)c3ccccc3)CC2)c1 ZINC000012383495 563368124 /nfs/dbraw/zinc/36/81/24/563368124.db2.gz BCWDVVXLIHDBGJ-QGZVFWFLSA-N 1 0 310.441 3.621 50 0 DHAARO CCC[N@@H+](Cc1nc(Cc2ccccc2Cl)no1)CC1CC1 ZINC000012595907 563371716 /nfs/dbraw/zinc/37/17/16/563371716.db2.gz NSTSDFWQRCMHHJ-UHFFFAOYSA-N 1 0 319.836 3.936 50 0 DHAARO Cc1c([C@@H](C)[NH2+]C2CCSCC2)cnn1-c1cccc(F)c1 ZINC000012755236 563372920 /nfs/dbraw/zinc/37/29/20/563372920.db2.gz SAKKOLLOJRWDPY-GFCCVEGCSA-N 1 0 319.449 3.866 50 0 DHAARO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccs2)cc1 ZINC000032754408 563390954 /nfs/dbraw/zinc/39/09/54/563390954.db2.gz YCDJKHICHPLNFJ-QGZVFWFLSA-N 1 0 314.454 3.510 50 0 DHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)OCc1ccccc1 ZINC000014251063 563399619 /nfs/dbraw/zinc/39/96/19/563399619.db2.gz QKOIHPJTQKTZOX-UHFFFAOYSA-N 1 0 324.424 3.709 50 0 DHAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000014952424 563404795 /nfs/dbraw/zinc/40/47/95/563404795.db2.gz XETJDGVDXPQSIJ-AWEZNQCLSA-N 1 0 319.399 3.543 50 0 DHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000015066490 563406841 /nfs/dbraw/zinc/40/68/41/563406841.db2.gz IRMCBKDXTASVRY-AWEZNQCLSA-N 1 0 319.399 3.841 50 0 DHAARO Fc1ccc(CC[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c(F)c1 ZINC000015072487 563407093 /nfs/dbraw/zinc/40/70/93/563407093.db2.gz WGHPBRKOKWRHRE-CYBMUJFWSA-N 1 0 305.372 3.533 50 0 DHAARO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000016490157 563412130 /nfs/dbraw/zinc/41/21/30/563412130.db2.gz HNRNLAPQQPTQNZ-HOTGVXAUSA-N 1 0 321.461 3.841 50 0 DHAARO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000016490152 563412291 /nfs/dbraw/zinc/41/22/91/563412291.db2.gz HNRNLAPQQPTQNZ-CVEARBPZSA-N 1 0 321.461 3.841 50 0 DHAARO c1ccc(C[NH+]2CCC(Nc3nc4ccccc4o3)CC2)cc1 ZINC000025249598 563421798 /nfs/dbraw/zinc/42/17/98/563421798.db2.gz USEUFOGOJQXSHI-UHFFFAOYSA-N 1 0 307.397 3.904 50 0 DHAARO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)NC1CCCCCC1 ZINC000025358813 563422637 /nfs/dbraw/zinc/42/26/37/563422637.db2.gz OHERQEICSXBKTG-IBGZPJMESA-N 1 0 314.473 3.533 50 0 DHAARO C[N@H+](CCC(=O)N1CCc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000026915776 563427442 /nfs/dbraw/zinc/42/74/42/563427442.db2.gz JQWQFYMXVAOHOF-HXUWFJFHSA-N 1 0 320.436 3.585 50 0 DHAARO Cc1ccc([C@H](CNC(=O)CC(C)C)[NH+]2CCCCC2)cc1 ZINC000027583967 563428730 /nfs/dbraw/zinc/42/87/30/563428730.db2.gz YMYGBELISPTPPX-SFHVURJKSA-N 1 0 302.462 3.684 50 0 DHAARO Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c1 ZINC000029483004 563434515 /nfs/dbraw/zinc/43/45/15/563434515.db2.gz YBWIDZRCOYRQLD-LJQANCHMSA-N 1 0 308.425 3.861 50 0 DHAARO Cc1ncsc1CCC[NH2+]CC[C@@H](C)CCCC(C)(C)O ZINC000032603544 563443280 /nfs/dbraw/zinc/44/32/80/563443280.db2.gz RKVGMMBSQOTYKD-AWEZNQCLSA-N 1 0 312.523 3.941 50 0 DHAARO Fc1ccccc1N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000023283218 563450632 /nfs/dbraw/zinc/45/06/32/563450632.db2.gz OZHRNZWCSBPWLW-SFHVURJKSA-N 1 0 310.416 3.505 50 0 DHAARO CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000071766991 563465754 /nfs/dbraw/zinc/46/57/54/563465754.db2.gz HHSVHCQGHUDCDI-LJQANCHMSA-N 1 0 307.437 3.904 50 0 DHAARO COc1ccccc1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000055292041 563473802 /nfs/dbraw/zinc/47/38/02/563473802.db2.gz HHASHPCZYZEYBQ-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO Cc1cc(OC(C)C)ccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096450286 563482928 /nfs/dbraw/zinc/48/29/28/563482928.db2.gz QLEIOJHVFHXXIO-MQVJKMGUSA-N 1 0 316.445 3.641 50 0 DHAARO O[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)CC[C@H]1c1ccc(F)cc1 ZINC000067641501 563487671 /nfs/dbraw/zinc/48/76/71/563487671.db2.gz GAYVQBNROFWPLP-AZUAARDMSA-N 1 0 324.399 3.657 50 0 DHAARO Cc1cc(=O)oc2cc(C[N@@H+](C)[C@H](C)c3ccccn3)ccc12 ZINC000067514300 563487827 /nfs/dbraw/zinc/48/78/27/563487827.db2.gz WKAUXKDZWDSAER-CQSZACIVSA-N 1 0 308.381 3.689 50 0 DHAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000067643002 563488461 /nfs/dbraw/zinc/48/84/61/563488461.db2.gz RPEPPMNQSJGCDN-AWEZNQCLSA-N 1 0 314.429 3.551 50 0 DHAARO O=c1[nH]c2cc(F)ccc2cc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000067741481 563489542 /nfs/dbraw/zinc/48/95/42/563489542.db2.gz VVQBQWFPCILXCA-INIZCTEOSA-N 1 0 312.344 3.597 50 0 DHAARO Cc1ccc(NC(=O)NCC[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000067727087 563489565 /nfs/dbraw/zinc/48/95/65/563489565.db2.gz LCSAMBUXCMMUEX-QGZVFWFLSA-N 1 0 317.477 3.935 50 0 DHAARO CSCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(C)c(C)c1 ZINC000067726234 563489878 /nfs/dbraw/zinc/48/98/78/563489878.db2.gz AVUUVCPPKURVKF-SFHVURJKSA-N 1 0 315.486 3.727 50 0 DHAARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1-c1ccccc1 ZINC000067771192 563490756 /nfs/dbraw/zinc/49/07/56/563490756.db2.gz MQDMFVFAOQUSSZ-QGZVFWFLSA-N 1 0 322.452 3.767 50 0 DHAARO C=Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4CC4)C3)C2)c1 ZINC000067855827 563492099 /nfs/dbraw/zinc/49/20/99/563492099.db2.gz FCQVDBRIEXVOJS-NRFANRHFSA-N 1 0 324.468 3.554 50 0 DHAARO CCO[C@H](C)c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC000067908999 563493241 /nfs/dbraw/zinc/49/32/41/563493241.db2.gz WGYLQEHJTRRXEM-MRXNPFEDSA-N 1 0 310.441 3.861 50 0 DHAARO Cc1ccc2[nH]c(=O)c(C[N@H+](C)CCc3ccccc3)cc2c1 ZINC000067983356 563495094 /nfs/dbraw/zinc/49/50/94/563495094.db2.gz OLIJWEHLSYQROV-UHFFFAOYSA-N 1 0 306.409 3.511 50 0 DHAARO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000072437182 563503169 /nfs/dbraw/zinc/50/31/69/563503169.db2.gz OSWRKPKSSVMSEK-UHFFFAOYSA-N 1 0 312.457 3.515 50 0 DHAARO CCCCc1ncc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)[nH]1 ZINC000072435822 563503334 /nfs/dbraw/zinc/50/33/34/563503334.db2.gz HJWFSOGZSDZKLG-CQSZACIVSA-N 1 0 301.409 3.881 50 0 DHAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1COc1ccccc1 ZINC000097159239 563507350 /nfs/dbraw/zinc/50/73/50/563507350.db2.gz ISTJDXQKDXJDES-UHFFFAOYSA-N 1 0 321.424 3.895 50 0 DHAARO c1cnn(CCC2CC[NH+](Cc3cc4ccccc4o3)CC2)c1 ZINC000077385294 563509998 /nfs/dbraw/zinc/50/99/98/563509998.db2.gz DQZAAWDRAUZNGK-UHFFFAOYSA-N 1 0 309.413 3.932 50 0 DHAARO CSCc1ccc(N(C)C[C@@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC000077427247 563510312 /nfs/dbraw/zinc/51/03/12/563510312.db2.gz ATGFWNLBMWHSPQ-INIZCTEOSA-N 1 0 307.507 3.501 50 0 DHAARO CC(C)C[C@@H](O)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000077525337 563511488 /nfs/dbraw/zinc/51/14/88/563511488.db2.gz UOIXASJWMBDLEN-LJQANCHMSA-N 1 0 300.446 3.787 50 0 DHAARO Fc1cc(Cl)ccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000077538886 563511934 /nfs/dbraw/zinc/51/19/34/563511934.db2.gz PPCJAPZJGWSAQL-UHFFFAOYSA-N 1 0 310.844 3.929 50 0 DHAARO CCCc1nnc(NC[C@@H](c2ccccc2)[NH+]2CCCCC2)o1 ZINC000095385441 563529849 /nfs/dbraw/zinc/52/98/49/563529849.db2.gz CGNVLZZZFDLRQP-INIZCTEOSA-N 1 0 314.433 3.661 50 0 DHAARO COc1cc(C)cc(OC)c1-c1ccccc1OCC[NH+](C)C ZINC000096150088 563534240 /nfs/dbraw/zinc/53/42/40/563534240.db2.gz OLOBMYDMXHKNDR-UHFFFAOYSA-N 1 0 315.413 3.620 50 0 DHAARO c1ccc2[nH]c(-c3ccc(OCC[NH+]4CCCC4)cc3)nc2c1 ZINC000096282675 563536231 /nfs/dbraw/zinc/53/62/31/563536231.db2.gz GPCCQUBMGXQCPH-UHFFFAOYSA-N 1 0 307.397 3.705 50 0 DHAARO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C)cc1 ZINC000097307724 563538902 /nfs/dbraw/zinc/53/89/02/563538902.db2.gz HNWGVMVWVMGUFX-FQEVSTJZSA-N 1 0 322.452 3.763 50 0 DHAARO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C2CCCCC2)s1 ZINC000097475125 563539673 /nfs/dbraw/zinc/53/96/73/563539673.db2.gz YEWCGULFWNGALF-MRXNPFEDSA-N 1 0 320.502 3.896 50 0 DHAARO c1oc(-c2ccccc2)nc1CN1CCO[C@H](c2ccccc2)C1 ZINC000097785340 563542433 /nfs/dbraw/zinc/54/24/33/563542433.db2.gz LLBCYKLYHOQNDU-IBGZPJMESA-N 1 0 320.392 3.915 50 0 DHAARO C[N@@H+]1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 ZINC000100493793 563551045 /nfs/dbraw/zinc/55/10/45/563551045.db2.gz YIFZSCDNJWDJOA-UHFFFAOYSA-N 1 0 301.440 3.595 50 0 DHAARO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000248006603 563599461 /nfs/dbraw/zinc/59/94/61/563599461.db2.gz WBLURPAGRKIDKQ-BBWFWOEESA-N 1 0 300.446 3.834 50 0 DHAARO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249400764 563609440 /nfs/dbraw/zinc/60/94/40/563609440.db2.gz UXPVCZLLUGMTLH-MRVWCRGKSA-N 1 0 303.372 3.538 50 0 DHAARO O=C(c1ccco1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069349467 563615831 /nfs/dbraw/zinc/61/58/31/563615831.db2.gz LOJONMJJVHHNAE-MSOLQXFVSA-N 1 0 324.424 3.549 50 0 DHAARO C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000107540608 563683972 /nfs/dbraw/zinc/68/39/72/563683972.db2.gz CSMYIWLVWJTCFC-DLBZAZTESA-N 1 0 314.816 3.515 50 0 DHAARO C[C@H](CNC(=O)Nc1ccccc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000109033212 563690114 /nfs/dbraw/zinc/69/01/14/563690114.db2.gz ABHNPODXJCZBLA-QWHCGFSZSA-N 1 0 309.841 3.724 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(C)(C)C)C1 ZINC000048344973 563696907 /nfs/dbraw/zinc/69/69/07/563696907.db2.gz OUXGLXZPBCAJKI-HZPDHXFCSA-N 1 0 316.489 3.827 50 0 DHAARO Cc1cc([C@@H](C)[NH2+]Cc2cnc3n[nH]c(C)c3c2)c(C)s1 ZINC000048355073 563697662 /nfs/dbraw/zinc/69/76/62/563697662.db2.gz KMLQOSMYZLJILO-SNVBAGLBSA-N 1 0 300.431 3.795 50 0 DHAARO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000048374096 563698322 /nfs/dbraw/zinc/69/83/22/563698322.db2.gz HKEXSRJQMGAAOF-IAGOWNOFSA-N 1 0 310.441 3.659 50 0 DHAARO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000048769186 563699871 /nfs/dbraw/zinc/69/98/71/563699871.db2.gz WBRWGWKZGUGRLC-LLVKDONJSA-N 1 0 316.232 3.599 50 0 DHAARO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCCCCCC1 ZINC000014915724 563703198 /nfs/dbraw/zinc/70/31/98/563703198.db2.gz FFCBIOARBWRECM-CQSZACIVSA-N 1 0 308.853 3.611 50 0 DHAARO CC[C@@H](C)Sc1ncc(CN2CCOC3(CCCC3)C2)cn1 ZINC000215478876 563705456 /nfs/dbraw/zinc/70/54/56/563705456.db2.gz QZVTZWNPCGJNFD-CQSZACIVSA-N 1 0 321.490 3.512 50 0 DHAARO Cc1[nH]c2c(cccc2C[N@@H+](Cc2cnn(C)c2)C2CC2)c1C ZINC000215547784 563706237 /nfs/dbraw/zinc/70/62/37/563706237.db2.gz YREULGWXDNBLPW-UHFFFAOYSA-N 1 0 308.429 3.683 50 0 DHAARO CCn1ccc2cc(C[N@H+](C)[C@H](C)Cc3cnccn3)ccc21 ZINC000216231070 563708501 /nfs/dbraw/zinc/70/85/01/563708501.db2.gz JXZRFVJEFIBLNW-OAHLLOKOSA-N 1 0 308.429 3.514 50 0 DHAARO C[NH+](C)[C@H](CNc1ncnc2cc(Cl)ccc21)c1ccco1 ZINC000008073589 563719282 /nfs/dbraw/zinc/71/92/82/563719282.db2.gz TZJNDWCMAVLIIK-CQSZACIVSA-N 1 0 316.792 3.591 50 0 DHAARO COc1ccc(-c2c[nH+]c(NCc3ccccc3F)n2C)cc1 ZINC000000819126 563720978 /nfs/dbraw/zinc/72/09/78/563720978.db2.gz NKLUMAWVKVHSHE-UHFFFAOYSA-N 1 0 311.360 3.847 50 0 DHAARO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000225409901 563754130 /nfs/dbraw/zinc/75/41/30/563754130.db2.gz MFLLXXFLSLZGLP-MRXNPFEDSA-N 1 0 304.482 3.795 50 0 DHAARO Cn1c(CN2CCCC[C@H]3CCCC[C@@H]32)nnc1C1CCC1 ZINC000225573339 563759305 /nfs/dbraw/zinc/75/93/05/563759305.db2.gz IZBGVAMXFZTFDB-ZBFHGGJFSA-N 1 0 302.466 3.627 50 0 DHAARO C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897264 563776764 /nfs/dbraw/zinc/77/67/64/563776764.db2.gz IRPLYMXOSLDCKE-RSPOEFSDSA-N 1 0 321.468 3.928 50 0 DHAARO CSCc1noc(CN(Cc2ccccc2)C2CCCC2)n1 ZINC000244882570 563780046 /nfs/dbraw/zinc/78/00/46/563780046.db2.gz XUHNLQXJFWBDPL-UHFFFAOYSA-N 1 0 317.458 3.877 50 0 DHAARO COc1ccnc(CN(C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000244874648 563780071 /nfs/dbraw/zinc/78/00/71/563780071.db2.gz XEWMTBPUEJFHHS-CQSZACIVSA-N 1 0 322.412 3.673 50 0 DHAARO c1csc(-c2n[nH]cc2C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000012538771 563798887 /nfs/dbraw/zinc/79/88/87/563798887.db2.gz JNJYGZMSPZCLCT-UHFFFAOYSA-N 1 0 322.437 3.952 50 0 DHAARO CC(C)[C@@H](NC(=O)CC[NH+]1CCCCCCC1)c1ccccn1 ZINC000299788468 563806560 /nfs/dbraw/zinc/80/65/60/563806560.db2.gz SPXGUWLYBQBVAB-LJQANCHMSA-N 1 0 317.477 3.551 50 0 DHAARO CC[C@@H]1C=CCN1C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299795230 563806654 /nfs/dbraw/zinc/80/66/54/563806654.db2.gz LRTKRRFMPHAWRK-LJQANCHMSA-N 1 0 312.457 3.853 50 0 DHAARO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000084661101 563830034 /nfs/dbraw/zinc/83/00/34/563830034.db2.gz KKOOIDKFASFXOP-YPMHNXCESA-N 1 0 324.350 3.764 50 0 DHAARO C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000012915380 563853988 /nfs/dbraw/zinc/85/39/88/563853988.db2.gz HBTMUDONYBWYLD-SNVBAGLBSA-N 1 0 322.380 3.584 50 0 DHAARO CCn1ccnc1CN[C@H](C)c1ccccc1Br ZINC000051921805 563874519 /nfs/dbraw/zinc/87/45/19/563874519.db2.gz XQXAQBCJPWOUSF-LLVKDONJSA-N 1 0 308.223 3.516 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000239432813 563880193 /nfs/dbraw/zinc/88/01/93/563880193.db2.gz WNOXUDZNUVFWLM-HBFSDRIKSA-N 1 0 317.473 3.706 50 0 DHAARO Cc1ccc(C)c(CSc2nnc(CCCCC[NH3+])o2)c1 ZINC000001900814 563883497 /nfs/dbraw/zinc/88/34/97/563883497.db2.gz UKADSFQZSYHSPV-UHFFFAOYSA-N 1 0 305.447 3.650 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1 ZINC000036031846 563892332 /nfs/dbraw/zinc/89/23/32/563892332.db2.gz MAPZNZMWFKTVOB-WBVHZDCISA-N 1 0 319.470 3.789 50 0 DHAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C)c1 ZINC000036100733 563893347 /nfs/dbraw/zinc/89/33/47/563893347.db2.gz QHDFAFKRHQUOSM-FQEVSTJZSA-N 1 0 321.505 3.877 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036101827 563893649 /nfs/dbraw/zinc/89/36/49/563893649.db2.gz KVQZSNKFMCHHNE-MJGOQNOKSA-N 1 0 307.478 3.629 50 0 DHAARO CCc1oc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1C ZINC000170597963 563906960 /nfs/dbraw/zinc/90/69/60/563906960.db2.gz YCFNTHBOPWBBCS-KDOFPFPSSA-N 1 0 314.429 3.572 50 0 DHAARO CC(C)[N@@H+]1CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000170595070 563906998 /nfs/dbraw/zinc/90/69/98/563906998.db2.gz VIBYLWFRYUJCFY-JTQLQIEISA-N 1 0 307.747 3.648 50 0 DHAARO Cc1ccc(C[NH2+][C@@H](CCO)C(C)(C)C)cc1Br ZINC000170595426 563907121 /nfs/dbraw/zinc/90/71/21/563907121.db2.gz NJJLXUMDJKZLSC-AWEZNQCLSA-N 1 0 314.267 3.644 50 0 DHAARO CCc1oc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1C ZINC000170597962 563907160 /nfs/dbraw/zinc/90/71/60/563907160.db2.gz YCFNTHBOPWBBCS-KSSFIOAISA-N 1 0 314.429 3.572 50 0 DHAARO Cc1c[nH+]ccc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000170613126 563908132 /nfs/dbraw/zinc/90/81/32/563908132.db2.gz QYGPUZUDGLUWFG-HUUCEWRRSA-N 1 0 319.449 3.520 50 0 DHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000170614568 563908335 /nfs/dbraw/zinc/90/83/35/563908335.db2.gz ODZOATBUMWMBEV-HKUYNNGSSA-N 1 0 300.446 3.518 50 0 DHAARO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1F ZINC000192960951 563908577 /nfs/dbraw/zinc/90/85/77/563908577.db2.gz GBVDIVXMYJJNND-CABCVRRESA-N 1 0 319.376 3.515 50 0 DHAARO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000170626944 563908992 /nfs/dbraw/zinc/90/89/92/563908992.db2.gz WTUXWCSSBUOUSE-MLYOOKFZSA-N 1 0 318.505 3.987 50 0 DHAARO Clc1ccc(C[NH2+]CCCCn2ccnc2)c2ncccc12 ZINC000089807725 563911415 /nfs/dbraw/zinc/91/14/15/563911415.db2.gz VXYFJVFSJAIYNA-UHFFFAOYSA-N 1 0 314.820 3.655 50 0 DHAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2F)[C@H](C)C1 ZINC000076056437 563912125 /nfs/dbraw/zinc/91/21/25/563912125.db2.gz AESHEFFZZCIMHS-IGCXYCKISA-N 1 0 324.415 3.508 50 0 DHAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000076057852 563912143 /nfs/dbraw/zinc/91/21/43/563912143.db2.gz BOUPWRCEYDKMBK-MGPUTAFESA-N 1 0 322.452 3.576 50 0 DHAARO Cc1cccc(NC(=S)NCC2([NH+](C)C)CCCCC2)c1C ZINC000007583676 563914066 /nfs/dbraw/zinc/91/40/66/563914066.db2.gz IIQWRDGAVBVYJA-UHFFFAOYSA-N 1 0 319.518 3.854 50 0 DHAARO Cc1cc2oc(=O)cc(C[NH+](CC(C)C)CC(C)C)c2cc1O ZINC000002113680 563914189 /nfs/dbraw/zinc/91/41/89/563914189.db2.gz VQYVWSKUKYNANZ-UHFFFAOYSA-N 1 0 317.429 3.921 50 0 biogenic DHAARO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000252444262 563915006 /nfs/dbraw/zinc/91/50/06/563915006.db2.gz FHNLQMOTWOJGGY-ZFWWWQNUSA-N 1 0 300.427 3.912 50 0 DHAARO CC(C)[C@@H](CC[NH2+]Cc1ccc2c(c1)OCO2)c1ccco1 ZINC000002157133 563916122 /nfs/dbraw/zinc/91/61/22/563916122.db2.gz HRNCAYFDDOIXIU-OAHLLOKOSA-N 1 0 301.386 3.928 50 0 biogenic DHAARO C[C@@H](NC(=O)c1cccc(C[NH3+])c1)c1ccc(C(F)(F)F)cc1 ZINC000252503676 563916331 /nfs/dbraw/zinc/91/63/31/563916331.db2.gz VFNFOLJRBACKLT-LLVKDONJSA-N 1 0 322.330 3.655 50 0 DHAARO CC(C)[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)c1ccnn1C ZINC000252510695 563916547 /nfs/dbraw/zinc/91/65/47/563916547.db2.gz ZOHNMMZGWDIIBU-ZDUSSCGKSA-N 1 0 309.816 3.742 50 0 DHAARO NC(=O)CN(Cc1ccc(-c2ccccc2Cl)s1)C1CC1 ZINC000027268898 563916623 /nfs/dbraw/zinc/91/66/23/563916623.db2.gz SFTRJNDSSLRXNZ-UHFFFAOYSA-N 1 0 320.845 3.518 50 0 DHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccoc1 ZINC000584892435 563925449 /nfs/dbraw/zinc/92/54/49/563925449.db2.gz FLRUJDXGJWMANQ-GOSISDBHSA-N 1 0 312.413 3.627 50 0 DHAARO CSc1ccc([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1F ZINC000095967214 563932871 /nfs/dbraw/zinc/93/28/71/563932871.db2.gz GMWWSLSUSNXSRH-NSHDSACASA-N 1 0 321.465 3.791 50 0 DHAARO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1nc2ccccc2s1 ZINC000095968353 563933246 /nfs/dbraw/zinc/93/32/46/563933246.db2.gz RFEAHHHXQUKTMJ-BDJLRTHQSA-N 1 0 318.467 3.916 50 0 DHAARO CC[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccncc1 ZINC000095968438 563933275 /nfs/dbraw/zinc/93/32/75/563933275.db2.gz COYYQBARUNWOIM-QGZVFWFLSA-N 1 0 317.477 3.550 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000095988001 563934120 /nfs/dbraw/zinc/93/41/20/563934120.db2.gz YVEDMSPDDWZJFT-SMDDNHRTSA-N 1 0 320.820 3.748 50 0 DHAARO CCCCC[N@H+](C)CCOc1ccccc1Br ZINC000096026636 563935114 /nfs/dbraw/zinc/93/51/14/563935114.db2.gz QCSKEPPXDQRVGE-UHFFFAOYSA-N 1 0 300.240 3.950 50 0 DHAARO C[C@@H](C[NH+](C)C)OC(=O)CC(c1ccccc1)c1ccccc1 ZINC000096028099 563935281 /nfs/dbraw/zinc/93/52/81/563935281.db2.gz SDBFAXMWGGTQIH-INIZCTEOSA-N 1 0 311.425 3.702 50 0 DHAARO Cc1noc(C)c1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000096444979 563937027 /nfs/dbraw/zinc/93/70/27/563937027.db2.gz IVIHLOGSWCWYSF-IBGZPJMESA-N 1 0 314.429 3.553 50 0 DHAARO COC[C@@H](N[C@@H](C)c1ccc(Br)o1)c1ccco1 ZINC000225575447 563937983 /nfs/dbraw/zinc/93/79/83/563937983.db2.gz IGXQGKMEMFCRFN-VHSXEESVSA-N 1 0 314.179 3.673 50 0 DHAARO Clc1cnc(NCC[C@H]2CCCC[N@@H+]2C2CCCC2)nc1 ZINC000670456180 563945001 /nfs/dbraw/zinc/94/50/01/563945001.db2.gz MWLMNLJLEJGNPL-OAHLLOKOSA-N 1 0 308.857 3.729 50 0 DHAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC000229557147 563945561 /nfs/dbraw/zinc/94/55/61/563945561.db2.gz BZEBIVQVTUXHKV-JBBXEZCESA-N 1 0 322.399 3.501 50 0 DHAARO Cc1sc(NCCC[NH+](C)C)nc1-c1ccc2c(c1)CCC2 ZINC000008327607 563947872 /nfs/dbraw/zinc/94/78/72/563947872.db2.gz VDWPJQDUBITVON-UHFFFAOYSA-N 1 0 315.486 3.971 50 0 DHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000066874089 563948051 /nfs/dbraw/zinc/94/80/51/563948051.db2.gz UOGMQVAMDKBKGY-LJQANCHMSA-N 1 0 322.452 3.816 50 0 DHAARO COc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008700906 563949810 /nfs/dbraw/zinc/94/98/10/563949810.db2.gz KPVOCIDZKIFLAP-LBPRGKRZSA-N 1 0 300.402 3.632 50 0 DHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccco1 ZINC000008863097 563951024 /nfs/dbraw/zinc/95/10/24/563951024.db2.gz WNTOYEVPEIWCGO-HNNXBMFYSA-N 1 0 318.442 3.688 50 0 DHAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2csc(-c3ccco3)n2)c1 ZINC000069459501 563952970 /nfs/dbraw/zinc/95/29/70/563952970.db2.gz SNNDGHRGBAERMJ-CHWSQXEVSA-N 1 0 316.430 3.647 50 0 DHAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cc(-c3cccs3)on2)c1 ZINC000069652048 563953982 /nfs/dbraw/zinc/95/39/82/563953982.db2.gz DIRLBZVDSBBGDA-STQMWFEESA-N 1 0 316.430 3.647 50 0 DHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000009232869 563954446 /nfs/dbraw/zinc/95/44/46/563954446.db2.gz RCCAMDAESPSZNB-GOEBONIOSA-N 1 0 307.821 3.761 50 0 DHAARO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000070040116 563955731 /nfs/dbraw/zinc/95/57/31/563955731.db2.gz UWYALZPYAUNLIH-QGZVFWFLSA-N 1 0 322.412 3.511 50 0 DHAARO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C)o3)ccc2NC1=O ZINC000174138674 563956437 /nfs/dbraw/zinc/95/64/37/563956437.db2.gz RADOCNDIDVTTEV-MLGOLLRUSA-N 1 0 314.385 3.548 50 0 DHAARO COc1ccccc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000071831346 563959020 /nfs/dbraw/zinc/95/90/20/563959020.db2.gz BGSHFKCGDXEWMD-HNNXBMFYSA-N 1 0 324.424 3.673 50 0 DHAARO CCO[C@@H](C)c1nc(C[N@H+](C(C)C)C2CCOCC2)cs1 ZINC000077322860 563960825 /nfs/dbraw/zinc/96/08/25/563960825.db2.gz QDPAUEJDBPJMPP-ZDUSSCGKSA-N 1 0 312.479 3.630 50 0 DHAARO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cccc3cccnc32)C1 ZINC000411920377 563961974 /nfs/dbraw/zinc/96/19/74/563961974.db2.gz CELAEBXJLGSYET-MOPGFXCFSA-N 1 0 304.393 3.543 50 0 DHAARO CC1(C)C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CO1 ZINC000417872439 563961981 /nfs/dbraw/zinc/96/19/81/563961981.db2.gz JKQZTULESNTAMA-HNNXBMFYSA-N 1 0 316.376 3.670 50 0 DHAARO CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1OCC ZINC000007538529 568412434 /nfs/dbraw/zinc/41/24/34/568412434.db2.gz QVVOUZBFFOKTMF-UHFFFAOYSA-N 1 0 315.413 3.782 50 0 DHAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000025761890 568412689 /nfs/dbraw/zinc/41/26/89/568412689.db2.gz RHDBEHVNWCDLDP-NRFANRHFSA-N 1 0 315.416 3.637 50 0 DHAARO CC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)CO)cc1 ZINC000063882992 568413216 /nfs/dbraw/zinc/41/32/16/568413216.db2.gz IPRKDWGBVVWHQW-INIZCTEOSA-N 1 0 311.425 3.520 50 0 DHAARO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1OC ZINC000071837177 1013979185 /nfs/dbraw/zinc/97/91/85/1013979185.db2.gz SYBGPPBJWOUDCB-MRXNPFEDSA-N 1 0 301.361 3.620 50 0 DHAARO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000289771412 1014367516 /nfs/dbraw/zinc/36/75/16/1014367516.db2.gz KLQQKXXKWYRFEV-CQSZACIVSA-N 1 0 314.429 3.970 50 0 DHAARO CC(C)c1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000001475841 1015433095 /nfs/dbraw/zinc/43/30/95/1015433095.db2.gz ZCFFHUFCOKRLKD-QGZVFWFLSA-N 1 0 305.462 3.814 50 0 DHAARO C[NH+]1CCC(n2ncc3cc([C@H]4[C@@H]5CCCC[C@@H]54)cnc32)CC1 ZINC000952880422 1032667763 /nfs/dbraw/zinc/66/77/63/1032667763.db2.gz UXCHUGPEVOFTGC-PIIMJCKOSA-N 1 0 310.445 3.602 50 0 DHAARO Fc1ccccc1OCC[NH2+]Cc1ccc([C@@H]2CCCCO2)o1 ZINC000952978692 1032678458 /nfs/dbraw/zinc/67/84/58/1032678458.db2.gz 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Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000069814996 190823294 /nfs/dbraw/zinc/82/32/94/190823294.db2.gz ANOQGVUQBXHHJQ-QWHCGFSZSA-N 1 0 316.430 3.647 50 0 DHAARO C[C@H](NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000069897097 190835002 /nfs/dbraw/zinc/83/50/02/190835002.db2.gz HWDWPMVATXPVRF-PXNSSMCTSA-N 1 0 322.452 3.743 50 0 DHAARO COc1ccc([C@@H](O)[C@H]2CCCC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000071769984 191030451 /nfs/dbraw/zinc/03/04/51/191030451.db2.gz GWMOZBYKFUIADH-GBESFXJTSA-N 1 0 303.446 3.773 50 0 DHAARO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)sc2cccc(F)c12 ZINC000071846621 191031625 /nfs/dbraw/zinc/03/16/25/191031625.db2.gz OHJOOAOKIGANKN-UHFFFAOYSA-N 1 0 320.433 3.515 50 0 DHAARO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2C[C@@H]3O)s1 ZINC000072125423 191041774 /nfs/dbraw/zinc/04/17/74/191041774.db2.gz ZAOKGFGFDSCJEB-SFHVURJKSA-N 1 0 313.466 3.507 50 0 DHAARO O=C(Nc1cnc2ccccc2c1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072127392 191042511 /nfs/dbraw/zinc/04/25/11/191042511.db2.gz 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/nfs/dbraw/zinc/06/73/02/191067302.db2.gz SQUKRZAWLLLZLU-AWEZNQCLSA-N 1 0 322.412 3.566 50 0 DHAARO CCC(=O)N[C@H]1CCC[N@H+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000225638372 186285769 /nfs/dbraw/zinc/28/57/69/186285769.db2.gz RYTFVTQFUNEEJP-SFHVURJKSA-N 1 0 316.489 3.517 50 0 DHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000237460213 186293236 /nfs/dbraw/zinc/29/32/36/186293236.db2.gz WNPSUPQBGBONHO-QWRGUYRKSA-N 1 0 322.861 3.754 50 0 DHAARO CC(C)(C)n1ncnc1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000253397319 186305548 /nfs/dbraw/zinc/30/55/48/186305548.db2.gz VPVPKUZUMYDUKF-UHFFFAOYSA-N 1 0 318.852 3.722 50 0 DHAARO Fc1ccc(C2([NH2+]Cc3ccc(Cl)nc3)CCOCC2)cc1 ZINC000072628984 191204711 /nfs/dbraw/zinc/20/47/11/191204711.db2.gz UBXOKEZWMKOOHC-UHFFFAOYSA-N 1 0 320.795 3.670 50 0 DHAARO COc1ccc([C@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000340708 180761867 /nfs/dbraw/zinc/76/18/67/180761867.db2.gz DEEATEZDZDETJW-PMACEKPBSA-N 1 0 311.425 3.608 50 0 DHAARO O[C@]1(c2ccc(Cl)cc2)C[n+]2ccccc2N1c1ccccc1 ZINC000000390311 180775122 /nfs/dbraw/zinc/77/51/22/180775122.db2.gz HZBIPJFLGNEBSX-IBGZPJMESA-N 1 0 323.803 3.625 50 0 DHAARO CC1CC[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000000448352 180794438 /nfs/dbraw/zinc/79/44/38/180794438.db2.gz SYQCMWPYFILWCG-ADKAHSJRSA-N 1 0 311.510 3.701 50 0 DHAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]C(C)(C)C)CCCC1 ZINC000000571478 180824555 /nfs/dbraw/zinc/82/45/55/180824555.db2.gz LUUZEOJMIHNBFS-HNNXBMFYSA-N 1 0 314.473 3.578 50 0 DHAARO CC[NH+](CC)CCCNc1ncnc2sc3c(c21)CCCC3 ZINC000001778448 180895740 /nfs/dbraw/zinc/89/57/40/180895740.db2.gz NDMIELSVOGTLIU-UHFFFAOYSA-N 1 0 318.490 3.714 50 0 DHAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(OC)c1 ZINC000002482200 180926645 /nfs/dbraw/zinc/92/66/45/180926645.db2.gz GZNLWQYOQRHZNH-UHFFFAOYSA-N 1 0 310.397 3.517 50 0 DHAARO CCC[NH+](CCC)C[C@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000002988615 180974556 /nfs/dbraw/zinc/97/45/56/180974556.db2.gz BNJDJHFZGPHHNE-KRWDZBQOSA-N 1 0 307.478 3.980 50 0 DHAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000003151866 180986001 /nfs/dbraw/zinc/98/60/01/180986001.db2.gz SYTSDFJMWZSPFV-KRWDZBQOSA-N 1 0 305.462 3.600 50 0 DHAARO CC(C)CC[NH+](CCC(C)C)C[C@H](O)COc1ccccc1 ZINC000003311791 181003433 /nfs/dbraw/zinc/00/34/33/181003433.db2.gz PLOJMSCLMUNNGN-SFHVURJKSA-N 1 0 307.478 3.821 50 0 DHAARO CCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000003434372 181018872 /nfs/dbraw/zinc/01/88/72/181018872.db2.gz VHMWXAMSFWEUEL-HUUCEWRRSA-N 1 0 323.477 3.511 50 0 DHAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000003434308 181018934 /nfs/dbraw/zinc/01/89/34/181018934.db2.gz SQDWPIZHYTZOAD-UHFFFAOYSA-N 1 0 300.324 3.520 50 0 DHAARO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCCC1 ZINC000003491086 181026225 /nfs/dbraw/zinc/02/62/25/181026225.db2.gz FRAVPKGKOUNVSD-MRXNPFEDSA-N 1 0 324.424 3.688 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000003583486 181037079 /nfs/dbraw/zinc/03/70/79/181037079.db2.gz FRDNMYLGEAZQCD-LLVKDONJSA-N 1 0 314.401 3.814 50 0 DHAARO Cc1cc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1Cl ZINC000003865318 181050551 /nfs/dbraw/zinc/05/05/51/181050551.db2.gz HWEKXNATKPHZJB-SOUVJXGZSA-N 1 0 311.853 3.651 50 0 DHAARO C[C@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(Cl)cc2)N1O ZINC000003904800 181054848 /nfs/dbraw/zinc/05/48/48/181054848.db2.gz DTVMNQRNCCSXAT-YVEFUNNKSA-N 1 0 316.788 3.606 50 0 DHAARO CCOc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000004023352 181063796 /nfs/dbraw/zinc/06/37/96/181063796.db2.gz YKSDLEFNLYJLCO-AEFFLSMTSA-N 1 0 317.429 3.507 50 0 biogenic DHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000004029241 181064710 /nfs/dbraw/zinc/06/47/10/181064710.db2.gz YIYUGJLYGWSLLU-GOEBONIOSA-N 1 0 307.821 3.761 50 0 biogenic,in-vitro DHAARO COc1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1OC ZINC000004117608 181075158 /nfs/dbraw/zinc/07/51/58/181075158.db2.gz IZIPTBVOQVGYLK-DHZHZOJOSA-N 1 0 306.385 3.852 50 0 DHAARO Clc1ccc(-c2csc(N3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000004577488 181126964 /nfs/dbraw/zinc/12/69/64/181126964.db2.gz OEVKPPCAYSTFIC-CQSZACIVSA-N 1 0 319.861 3.748 50 0 DHAARO C[N@H+](CCOC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004843904 181161836 /nfs/dbraw/zinc/16/18/36/181161836.db2.gz AUEZYOFQTZXSQB-UHFFFAOYSA-N 1 0 313.441 3.744 50 0 DHAARO C[N@@H+]1CCC[C@H](OC(=O)C(C)(c2ccccc2)c2ccccc2)C1 ZINC000004872509 181167332 /nfs/dbraw/zinc/16/73/32/181167332.db2.gz QLJPWIKLVUYHFO-IBGZPJMESA-N 1 0 323.436 3.630 50 0 DHAARO C[C@H](O)C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004942873 181176884 /nfs/dbraw/zinc/17/68/84/181176884.db2.gz TUKUPVBGGWDOSX-VIFPVBQESA-N 1 0 300.185 3.724 50 0 DHAARO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000004989467 181185860 /nfs/dbraw/zinc/18/58/60/181185860.db2.gz BCIZWOFSFPFXGL-OAHLLOKOSA-N 1 0 301.405 3.988 50 0 DHAARO Cc1ccc(-c2ccc(CNCCC[NH+](C)C)o2)cc1Cl ZINC000004999759 181187929 /nfs/dbraw/zinc/18/79/29/181187929.db2.gz JYFIWYYATNVJLN-UHFFFAOYSA-N 1 0 306.837 3.950 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1c(C)[nH]c2ccc(OC)cc21 ZINC000005024851 181192316 /nfs/dbraw/zinc/19/23/16/181192316.db2.gz ICQLMOAFMAOMME-CQSZACIVSA-N 1 0 314.429 3.932 50 0 DHAARO [NH3+]CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000005054858 181198132 /nfs/dbraw/zinc/19/81/32/181198132.db2.gz XAWQIYQGLMTKGY-UHFFFAOYSA-N 1 0 324.327 3.793 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000005186283 181215138 /nfs/dbraw/zinc/21/51/38/181215138.db2.gz KXPRFOGIFRLJDK-KBPBESRZSA-N 1 0 311.425 3.760 50 0 biogenic DHAARO CC[NH+](CC)CCSc1ccc(-c2ccccc2OC)nn1 ZINC000005410606 181240302 /nfs/dbraw/zinc/24/03/02/181240302.db2.gz LNVMMOYXTJJNPB-UHFFFAOYSA-N 1 0 317.458 3.586 50 0 DHAARO CC(C)[NH+](C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2)C(C)C ZINC000005442048 181243441 /nfs/dbraw/zinc/24/34/41/181243441.db2.gz YGXKWCVOKQHWRC-WFRNDULYSA-N 1 0 323.521 3.699 50 0 DHAARO O[C@H](COc1ccc2ccccc2c1Cl)C[NH+]1CCCCC1 ZINC000006000177 181304898 /nfs/dbraw/zinc/30/48/98/181304898.db2.gz RHMCDAJUMZVVKH-HNNXBMFYSA-N 1 0 319.832 3.719 50 0 DHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(F)cc1 ZINC000006083471 181311579 /nfs/dbraw/zinc/31/15/79/181311579.db2.gz CNHCYNQQISUDDG-UHFFFAOYSA-N 1 0 318.436 3.744 50 0 DHAARO Clc1c2ccccc2[nH]c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000216320185 201488658 /nfs/dbraw/zinc/48/86/58/201488658.db2.gz JDEKZPYPARHNGQ-AWEZNQCLSA-N 1 0 317.864 3.882 50 0 DHAARO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(Br)s1 ZINC000221898930 201596566 /nfs/dbraw/zinc/59/65/66/201596566.db2.gz NBNASDKABFTIJP-HBNTYKKESA-N 1 0 318.280 3.712 50 0 DHAARO C[C@@]1(CO)CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000093341062 193235831 /nfs/dbraw/zinc/23/58/31/193235831.db2.gz DAJWWGPBDHZTKQ-CQSZACIVSA-N 1 0 319.392 3.893 50 0 DHAARO CS[C@H]1CCC[C@@H]1[N@H+](C)Cc1ccccc1-n1cccn1 ZINC000093869420 193320775 /nfs/dbraw/zinc/32/07/75/193320775.db2.gz HQKWLGOITZYIKZ-IRXDYDNUSA-N 1 0 301.459 3.588 50 0 DHAARO CC[C@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000095357563 193430113 /nfs/dbraw/zinc/43/01/13/193430113.db2.gz QNAAMJLVTATMGP-SFHVURJKSA-N 1 0 320.452 3.904 50 0 DHAARO CC(C)C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccccn1 ZINC000095968343 193465062 /nfs/dbraw/zinc/46/50/62/193465062.db2.gz KBCQHUNGCXEDIW-IAGOWNOFSA-N 1 0 304.459 3.728 50 0 DHAARO Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012979936 181817894 /nfs/dbraw/zinc/81/78/94/181817894.db2.gz WWFIAXDMGLNXHU-IBGZPJMESA-N 1 0 323.440 3.954 50 0 DHAARO CC(C)c1nc(CN2CCC([NH+]3CCCCCC3)CC2)co1 ZINC000097217657 193693976 /nfs/dbraw/zinc/69/39/76/193693976.db2.gz HMULHQBBNFECJK-UHFFFAOYSA-N 1 0 305.466 3.638 50 0 DHAARO CC(C)[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 ZINC000015550251 182005906 /nfs/dbraw/zinc/00/59/06/182005906.db2.gz DWWAMDAYFHIACP-WOJBJXKFSA-N 1 0 322.452 3.993 50 0 DHAARO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000016346561 182042081 /nfs/dbraw/zinc/04/20/81/182042081.db2.gz DNTMWZRVBNXDIU-HUUCEWRRSA-N 1 0 316.470 3.754 50 0 DHAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2F)c(C)c1 ZINC000016353716 182042174 /nfs/dbraw/zinc/04/21/74/182042174.db2.gz SJGAQAQUOFQQAO-HNNXBMFYSA-N 1 0 314.404 3.902 50 0 DHAARO Cc1nc(CNCc2c(C)nn(-c3ccccc3)c2C)cs1 ZINC000017318860 182082854 /nfs/dbraw/zinc/08/28/54/182082854.db2.gz DMGHAVWEHPYKFJ-UHFFFAOYSA-N 1 0 312.442 3.544 50 0 DHAARO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000017310347 182082928 /nfs/dbraw/zinc/08/29/28/182082928.db2.gz AOWMUOXQPHQMNZ-UHFFFAOYSA-N 1 0 321.424 3.788 50 0 DHAARO C[C@@H](CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019634470 182133965 /nfs/dbraw/zinc/13/39/65/182133965.db2.gz NMGYYUQHEIXWFP-IBGZPJMESA-N 1 0 308.469 3.998 50 0 DHAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000019637655 182134080 /nfs/dbraw/zinc/13/40/80/182134080.db2.gz NPOSDHRAMJDWGH-UHFFFAOYSA-N 1 0 302.849 3.904 50 0 DHAARO Cc1cccc(C[NH+]2CCN(Cc3c[nH]c4ccccc34)CC2)c1 ZINC000019781689 182147714 /nfs/dbraw/zinc/14/77/14/182147714.db2.gz HLBQRYSQUHCGHO-UHFFFAOYSA-N 1 0 319.452 3.794 50 0 DHAARO C[NH+](C)CCCn1ccc(-c2cccc(-c3cccnc3)c2)n1 ZINC000019838211 182155506 /nfs/dbraw/zinc/15/55/06/182155506.db2.gz ZZMHRFSAUKWAKD-UHFFFAOYSA-N 1 0 306.413 3.564 50 0 DHAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cccc(SC)c1)C2 ZINC000019792735 182150263 /nfs/dbraw/zinc/15/02/63/182150263.db2.gz BASHLDFZBIMBDD-HNNXBMFYSA-N 1 0 315.438 3.510 50 0 DHAARO O[C@@]1(c2ccc3ccccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000019799214 182151535 /nfs/dbraw/zinc/15/15/35/182151535.db2.gz PEQIKECHNQQLCA-NRFANRHFSA-N 1 0 303.405 3.933 50 0 DHAARO O[C@]1(c2ccc3ccccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000019799215 182152066 /nfs/dbraw/zinc/15/20/66/182152066.db2.gz PEQIKECHNQQLCA-OAQYLSRUSA-N 1 0 303.405 3.933 50 0 DHAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000019836564 182154628 /nfs/dbraw/zinc/15/46/28/182154628.db2.gz KDCAQERTCVPUAM-LJQANCHMSA-N 1 0 312.432 3.622 50 0 DHAARO CC(C)C[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC000020009730 182177315 /nfs/dbraw/zinc/17/73/15/182177315.db2.gz QDSUNGHXHVKRNA-CQSZACIVSA-N 1 0 302.384 3.771 50 0 DHAARO CCOc1ccccc1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000020029405 182181707 /nfs/dbraw/zinc/18/17/07/182181707.db2.gz IMHVHEDHTJAIRW-UHFFFAOYSA-N 1 0 312.457 3.649 50 0 DHAARO CC[NH+]1CCN(CCCOc2ccc(C(C)(C)C)cc2C)CC1 ZINC000020389807 182213488 /nfs/dbraw/zinc/21/34/88/182213488.db2.gz XJUXTGJXWIRMNQ-UHFFFAOYSA-N 1 0 318.505 3.699 50 0 DHAARO C[N@H+](Cc1cccs1)C[C@@]1(c2ccc(F)cc2)CCOC1 ZINC000020515712 182226894 /nfs/dbraw/zinc/22/68/94/182226894.db2.gz LSBHSDZKPNDBSV-KRWDZBQOSA-N 1 0 305.418 3.677 50 0 DHAARO O=C(c1cccs1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170449 182268056 /nfs/dbraw/zinc/26/80/56/182268056.db2.gz CBWLDACJAQNNJU-OAHLLOKOSA-N 1 0 306.475 3.619 50 0 DHAARO COc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)c1OC ZINC000021720422 182286564 /nfs/dbraw/zinc/28/65/64/182286564.db2.gz ANIZYDHQBLCQPH-HNNXBMFYSA-N 1 0 316.401 3.646 50 0 DHAARO Cc1ccccc1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000022031808 182305328 /nfs/dbraw/zinc/30/53/28/182305328.db2.gz UAJKRQLSCRFEJM-UHFFFAOYSA-N 1 0 308.469 3.745 50 0 DHAARO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(-n2cncn2)cc1 ZINC000022817003 182335855 /nfs/dbraw/zinc/33/58/55/182335855.db2.gz WVZFLCIWABOYCD-LLVKDONJSA-N 1 0 318.833 3.833 50 0 DHAARO Cc1ccc2c(c1)Sc1ccccc1C[C@@H]2[NH+]1CCN(C)CC1 ZINC000022876356 182338995 /nfs/dbraw/zinc/33/89/95/182338995.db2.gz ANCXKMUBJDEPRX-SFHVURJKSA-N 1 0 324.493 3.991 50 0 DHAARO COc1ccc(CC[C@H](C)[NH2+]CCc2ccc(F)cc2)cc1 ZINC000023282878 182355505 /nfs/dbraw/zinc/35/55/05/182355505.db2.gz WGTFKXBTXJROHP-HNNXBMFYSA-N 1 0 301.405 3.988 50 0 DHAARO COc1ccccc1/C=C/CN1CCC([NH+]2CCCCC2)CC1 ZINC000023279901 182355514 /nfs/dbraw/zinc/35/55/14/182355514.db2.gz PDOBUQPUAOCQIM-VQHVLOKHSA-N 1 0 314.473 3.659 50 0 DHAARO C[N@H+](CCc1ccccn1)Cc1ccc(F)c(Br)c1 ZINC000023114827 182348587 /nfs/dbraw/zinc/34/85/87/182348587.db2.gz AYXXYHHCHNVRKR-UHFFFAOYSA-N 1 0 323.209 3.658 50 0 DHAARO Cc1cc(C[NH2+][C@H](C)[C@@H](O)c2ccc(O)cc2)c(C)n1C(C)C ZINC000023673479 182365847 /nfs/dbraw/zinc/36/58/47/182365847.db2.gz POCGPUUYGAXVLS-AUUYWEPGSA-N 1 0 316.445 3.603 50 0 DHAARO CCc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)sc1C ZINC000023962186 182370375 /nfs/dbraw/zinc/37/03/75/182370375.db2.gz WUVSYTIJHUDVPB-UHFFFAOYSA-N 1 0 316.470 3.611 50 0 DHAARO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000025364512 182411053 /nfs/dbraw/zinc/41/10/53/182411053.db2.gz XEWPRUCKISEGNZ-MRXNPFEDSA-N 1 0 306.413 3.735 50 0 DHAARO COc1cccc(C[N@H+](C)CCOc2cccc(C)c2)c1OC ZINC000040161696 183041989 /nfs/dbraw/zinc/04/19/89/183041989.db2.gz NBPWIJHSHZGCMP-UHFFFAOYSA-N 1 0 315.413 3.523 50 0 DHAARO CC(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000040088600 183033094 /nfs/dbraw/zinc/03/30/94/183033094.db2.gz HWILNISDNPPRPU-GOSISDBHSA-N 1 0 305.368 3.911 50 0 DHAARO CCc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770584 183306829 /nfs/dbraw/zinc/30/68/29/183306829.db2.gz XCRXFNBRGIWFDT-ZDUSSCGKSA-N 1 0 312.251 3.923 50 0 DHAARO c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000042956915 183322873 /nfs/dbraw/zinc/32/28/73/183322873.db2.gz MCQBCKCRZJMPCQ-MRXNPFEDSA-N 1 0 322.437 3.798 50 0 DHAARO COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2)cc(OC)c1OC ZINC000045098310 183481969 /nfs/dbraw/zinc/48/19/69/183481969.db2.gz WSPYZEAACKMKIH-CQSZACIVSA-N 1 0 315.413 3.872 50 0 DHAARO c1ccc2oc([C@H]3CCC[N@@H+](C[C@H]4CCCCO4)C3)nc2c1 ZINC000106747896 194248708 /nfs/dbraw/zinc/24/87/08/194248708.db2.gz PYEGMPUJZVMPGR-LSDHHAIUSA-N 1 0 300.402 3.576 50 0 DHAARO CCC[NH+](CCC)CP12(O[C@H](C)[C@@H](C)O1)O[C@H](C)[C@H](C)O2 ZINC000057292223 184032505 /nfs/dbraw/zinc/03/25/05/184032505.db2.gz RXAWBXAKAOSLAY-TUVASFSCSA-N 1 0 321.398 3.927 50 0 DHAARO Fc1ccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)cc1 ZINC000057354896 184035523 /nfs/dbraw/zinc/03/55/23/184035523.db2.gz CPKFHAICFRIVAT-UHFFFAOYSA-N 1 0 312.344 3.649 50 0 DHAARO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000057530815 184041581 /nfs/dbraw/zinc/04/15/81/184041581.db2.gz XTIVOKGOHASTPC-UHFFFAOYSA-N 1 0 315.442 3.534 50 0 DHAARO CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000058086862 184074008 /nfs/dbraw/zinc/07/40/08/184074008.db2.gz IZNOMXSITZRZIS-QZTJIDSGSA-N 1 0 314.473 3.603 50 0 DHAARO Cc1ccc([C@H](C(=O)NC2CCCCC2)[NH+]2CCCC2)cc1 ZINC000058012621 184066684 /nfs/dbraw/zinc/06/66/84/184066684.db2.gz IWLNQHMTSAKSQU-GOSISDBHSA-N 1 0 300.446 3.581 50 0 DHAARO Cc1ccc(C)c(NC(=O)C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000058160402 184081946 /nfs/dbraw/zinc/08/19/46/184081946.db2.gz AMIGTIGDUSSYSQ-UHFFFAOYSA-N 1 0 302.805 3.685 50 0 DHAARO CC(C)(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060206115 184145093 /nfs/dbraw/zinc/14/50/93/184145093.db2.gz WYSRWYFYXIGIDP-UHFFFAOYSA-N 1 0 302.462 3.725 50 0 DHAARO Cn1cc(-c2nc(C[N@H+](C3CC3)C3CCCCC3)cs2)cn1 ZINC000060468421 184149990 /nfs/dbraw/zinc/14/99/90/184149990.db2.gz XNEUAUKUTMVAND-UHFFFAOYSA-N 1 0 316.474 3.841 50 0 DHAARO CCC[N@@H+](Cc1cc(=O)n2ccsc2n1)CC1CCCCC1 ZINC000060495733 184151051 /nfs/dbraw/zinc/15/10/51/184151051.db2.gz IULFIRQYQUEZLU-UHFFFAOYSA-N 1 0 319.474 3.548 50 0 DHAARO O=C1N(c2ccccc2)CC[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000059711459 184139947 /nfs/dbraw/zinc/13/99/47/184139947.db2.gz NBNIVFPKFYATOR-NRFANRHFSA-N 1 0 320.436 3.706 50 0 DHAARO CCCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060894777 184157357 /nfs/dbraw/zinc/15/73/57/184157357.db2.gz QJUXNRLRYKTBFV-MRXNPFEDSA-N 1 0 317.477 3.518 50 0 DHAARO Cc1cc(-n2nc(C(C)C)nc2[C@H](O)C2CCCCC2)cc[nH+]1 ZINC000065370636 184329211 /nfs/dbraw/zinc/32/92/11/184329211.db2.gz HLGSYLGMSVJKEQ-MRXNPFEDSA-N 1 0 314.433 3.708 50 0 DHAARO CC(=O)c1ccc(-c2nc(C3CC3)nn2-c2cc[nH+]c(C)c2)s1 ZINC000065376542 184331225 /nfs/dbraw/zinc/33/12/25/184331225.db2.gz VEYRUKHMQHKGNE-UHFFFAOYSA-N 1 0 324.409 3.779 50 0 DHAARO COc1ccc(C[N@H+](C)[C@H](C)c2c(C)nn(C)c2C)c(C)c1C ZINC000065374951 184331484 /nfs/dbraw/zinc/33/14/84/184331484.db2.gz UQFFHGOVWIKXLZ-OAHLLOKOSA-N 1 0 315.461 3.855 50 0 DHAARO c1cnn(-c2cccc(C[N@@H+]3CCC[C@H]3c3ccccn3)c2)c1 ZINC000065492305 184354171 /nfs/dbraw/zinc/35/41/71/184354171.db2.gz ZEJLJLYXMFZIBR-IBGZPJMESA-N 1 0 304.397 3.604 50 0 DHAARO c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)c2)c1 ZINC000065492308 184354520 /nfs/dbraw/zinc/35/45/20/184354520.db2.gz ZEJLJLYXMFZIBR-LJQANCHMSA-N 1 0 304.397 3.604 50 0 DHAARO CCn1c2ccccc2c2cc([C@@H]3[NH2+]CCc4nc[nH]c43)ccc21 ZINC000065491568 184353822 /nfs/dbraw/zinc/35/38/22/184353822.db2.gz RHJVTYOEYJRKPM-IBGZPJMESA-N 1 0 316.408 3.773 50 0 DHAARO [NH3+]C[C@@H]1Cc2cc(-c3ccc4ccccc4n3)cc(Cl)c2O1 ZINC000067833612 184487261 /nfs/dbraw/zinc/48/72/61/184487261.db2.gz YUVZPUJVDDYQQP-AWEZNQCLSA-N 1 0 310.784 3.817 50 0 DHAARO CCOC(=O)[C@@H]1C(=[NH2+])c2cc(OC)ccc2[C@H]1Cc1ccccc1 ZINC000524735314 257213652 /nfs/dbraw/zinc/21/36/52/257213652.db2.gz RHSZUNZXRSUSGK-AEFFLSMTSA-N 1 0 323.392 3.582 50 0 DHAARO Cc1[nH]c2c(cccc2C[NH+]2CCC(c3ncon3)CC2)c1C ZINC000216473254 257273355 /nfs/dbraw/zinc/27/33/55/257273355.db2.gz NSCZQYFSMHUNGO-UHFFFAOYSA-N 1 0 310.401 3.547 50 0 DHAARO CC(C)(C)[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(F)cc1 ZINC000269123553 257237862 /nfs/dbraw/zinc/23/78/62/257237862.db2.gz GNKLIAWNSPICSM-OAHLLOKOSA-N 1 0 320.433 3.863 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl)[C@@H]1CCOC1 ZINC000521394534 257241060 /nfs/dbraw/zinc/24/10/60/257241060.db2.gz PJRCCRQYDWQHAA-KXUCPTDWSA-N 1 0 322.758 3.829 50 0 DHAARO C[C@H](c1ccc(-c2cc(CO)ncc2F)cc1)[NH+]1CCCCC1 ZINC000426473524 257249139 /nfs/dbraw/zinc/24/91/39/257249139.db2.gz KDHWDKPWKBWJEW-CQSZACIVSA-N 1 0 314.404 3.927 50 0 DHAARO Cc1ccc(Cl)c(NC(=O)N(C)CCC[NH+]2CCCC2)c1C ZINC000408515825 257256272 /nfs/dbraw/zinc/25/62/72/257256272.db2.gz FINCFNJUVHHJGH-UHFFFAOYSA-N 1 0 323.868 3.906 50 0 DHAARO CC[NH+](CC)CCNC(=O)c1sc2ccccc2c1Cl ZINC000003683976 257267547 /nfs/dbraw/zinc/26/75/47/257267547.db2.gz IYSRYCLXWVYLNX-UHFFFAOYSA-N 1 0 310.850 3.626 50 0 DHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000007447574 262521133 /nfs/dbraw/zinc/52/11/33/262521133.db2.gz KORDZXFYHOLZAU-UHFFFAOYSA-N 1 0 308.425 3.603 50 0 DHAARO CC1(C)CC(NC(=O)c2cccc3ccccc32)CC(C)(C)[NH2+]1 ZINC000001265685 331465848 /nfs/dbraw/zinc/46/58/48/331465848.db2.gz VKYWGPIIZGNHRR-UHFFFAOYSA-N 1 0 310.441 3.879 50 0 aggregator DHAARO COc1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)ncc1F ZINC000534590113 334294132 /nfs/dbraw/zinc/29/41/32/334294132.db2.gz LPBUVMPAQDSDPT-CYBMUJFWSA-N 1 0 315.392 3.838 50 0 DHAARO Cc1cc(F)ccc1N1CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC000534667430 334319131 /nfs/dbraw/zinc/31/91/31/334319131.db2.gz MXHFBRHVKQKPMU-MRXNPFEDSA-N 1 0 320.452 3.509 50 0 DHAARO C[C@H](c1ccc(-c2n[nH]c3ccccc32)cc1)N1CCOCC1 ZINC000534676134 334326906 /nfs/dbraw/zinc/32/69/06/334326906.db2.gz WOCJNTFMMBJCBM-CQSZACIVSA-N 1 0 307.397 3.623 50 0 DHAARO COc1ccc([C@H](C)[NH2+]Cc2cccnc2C)c(C)c1OC ZINC000342309219 334527447 /nfs/dbraw/zinc/52/74/47/334527447.db2.gz TVFYFHPUUNSGFN-AWEZNQCLSA-N 1 0 300.402 3.566 50 0 DHAARO c1cc(-c2nc(C[NH+]3CCC4(CCOCC4)CC3)cs2)co1 ZINC000367067311 335625347 /nfs/dbraw/zinc/62/53/47/335625347.db2.gz MQTRZXGGVYQRET-UHFFFAOYSA-N 1 0 318.442 3.796 50 0 DHAARO CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000351926946 336179482 /nfs/dbraw/zinc/17/94/82/336179482.db2.gz QALPDIOILVXJHY-GOSISDBHSA-N 1 0 313.445 3.652 50 0 DHAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000022455707 336926252 /nfs/dbraw/zinc/92/62/52/336926252.db2.gz UPICVEZLTAOEQU-UHFFFAOYSA-N 1 0 304.384 3.529 50 0 DHAARO CC[NH+](CC)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000005649726 338011807 /nfs/dbraw/zinc/01/18/07/338011807.db2.gz LHTFUSCYYKZEQW-UHFFFAOYSA-N 1 0 312.413 3.546 50 0 DHAARO CCC[C@@]1(CO)CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000288727738 535563704 /nfs/dbraw/zinc/56/37/04/535563704.db2.gz GJKMUSILBBYLSV-MRXNPFEDSA-N 1 0 322.499 3.856 50 0 DHAARO CC(C)=C[C@H]1[C@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000048311014 563695453 /nfs/dbraw/zinc/69/54/53/563695453.db2.gz XOJFICJMISYQQV-LSDHHAIUSA-N 1 0 306.494 3.650 50 0 DHAARO COc1ccc([C@@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000095352999 563931191 /nfs/dbraw/zinc/93/11/91/563931191.db2.gz CJOLNLGSLHEWGN-DOTOQJQBSA-N 1 0 303.427 3.531 50 0 DHAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(C)c2)CC1 ZINC000003060177 563941711 /nfs/dbraw/zinc/94/17/11/563941711.db2.gz VMZKEMZRJDNFDV-HNNXBMFYSA-N 1 0 319.518 3.887 50 0 DHAARO Nc1ncc(C[N@@H+]2CCC[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000670469749 563947108 /nfs/dbraw/zinc/94/71/08/563947108.db2.gz PPDCALCXYZAEPF-GFCCVEGCSA-N 1 0 307.850 3.758 50 0 DHAARO COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c(OC)c1C ZINC000000169419 563227017 /nfs/dbraw/zinc/22/70/17/563227017.db2.gz KCHCZTYTSDJGRQ-UHFFFAOYSA-N 1 0 315.457 3.927 50 0 DHAARO Cc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000173168 563228190 /nfs/dbraw/zinc/22/81/90/563228190.db2.gz BYVLBFYKCXKNGS-UHFFFAOYSA-N 1 0 305.491 3.591 50 0 DHAARO O=C(c1cccc2ccccc21)N1CC[NH+](C2CCCC2)CC1 ZINC000000283494 563235902 /nfs/dbraw/zinc/23/59/02/563235902.db2.gz XYTGENZNRXBSQC-UHFFFAOYSA-N 1 0 308.425 3.540 50 0 DHAARO CCOc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000282555 563236054 /nfs/dbraw/zinc/23/60/54/563236054.db2.gz YRWIREYGJCBRGW-UHFFFAOYSA-N 1 0 314.404 3.547 50 0 DHAARO O=C(Nc1ccccc1)N1CCc2scc[n+]2-c2ccccc21 ZINC000000384207 563248073 /nfs/dbraw/zinc/24/80/73/563248073.db2.gz CSOWNVMLIMOBRR-UHFFFAOYSA-O 1 0 322.413 3.619 50 0 DHAARO Cc1cc(C)[n+]2c(-c3ccc(Br)cc3)csc2n1 ZINC000000390267 563249347 /nfs/dbraw/zinc/24/93/47/563249347.db2.gz TXHAWTHMSXVWFS-UHFFFAOYSA-N 1 0 320.235 3.928 50 0 DHAARO CCc1nc2c(c(NN)[nH+]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001225883 563279920 /nfs/dbraw/zinc/27/99/20/563279920.db2.gz LPDPSTXCIVZYJU-UHFFFAOYSA-N 1 0 308.429 3.750 50 0 DHAARO Cc1noc(C)c1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000071886820 563282836 /nfs/dbraw/zinc/28/28/36/563282836.db2.gz UOKRNMFMYMMYTN-UHFFFAOYSA-N 1 0 320.820 3.740 50 0 DHAARO OCC[NH2+]CCCCCCOc1ccc(Cl)cc1Cl ZINC000002898220 563317288 /nfs/dbraw/zinc/31/72/88/563317288.db2.gz LOJOHTCWEAWBME-UHFFFAOYSA-N 1 0 306.233 3.515 50 0 DHAARO CCCC[NH2+]CCOc1ccc(Br)cc1Cl ZINC000003001082 563320400 /nfs/dbraw/zinc/32/04/00/563320400.db2.gz XTGMIOQSLCDZQP-UHFFFAOYSA-N 1 0 306.631 3.871 50 0 DHAARO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000003683572 563325547 /nfs/dbraw/zinc/32/55/47/563325547.db2.gz CDARRQFNEBYXLP-KRWDZBQOSA-N 1 0 312.432 3.969 50 0 DHAARO O=C(NCC[NH+]1CCCCC1)c1cccc(Oc2ccccc2)c1 ZINC000006742520 563333604 /nfs/dbraw/zinc/33/36/04/563333604.db2.gz VYBVFBRHHWUICH-UHFFFAOYSA-N 1 0 324.424 3.695 50 0 DHAARO CCC[NH+]1CCN(C(=O)Nc2ccc([C@H](C)CC)cc2)CC1 ZINC000006741705 563334088 /nfs/dbraw/zinc/33/40/88/563334088.db2.gz XZPBRIBOWWZQMC-OAHLLOKOSA-N 1 0 303.450 3.760 50 0 DHAARO CCN1Cc2cccc(NC(=O)C3CCC(F)(F)CC3)c2C1 ZINC000097372935 563337938 /nfs/dbraw/zinc/33/79/38/563337938.db2.gz GMYOZCOILYIOHY-UHFFFAOYSA-N 1 0 308.372 3.786 50 0 DHAARO Cc1ccc(C)c([N+]2=C3CCCCN3[C@](O)(c3ccccc3)C2)c1 ZINC000002966281 563345116 /nfs/dbraw/zinc/34/51/16/563345116.db2.gz GAXYTPRNSUWQIW-OAQYLSRUSA-N 1 0 321.444 3.564 50 0 DHAARO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062786 563351106 /nfs/dbraw/zinc/35/11/06/563351106.db2.gz BSHKJWNWMRLFCI-UHFFFAOYSA-N 1 0 322.452 3.523 50 0 DHAARO COc1cccc(C[NH2+]C(C)C)c1OCc1ccc(F)cc1 ZINC000010435882 563356639 /nfs/dbraw/zinc/35/66/39/563356639.db2.gz HQFVTCGFXGFSAI-UHFFFAOYSA-N 1 0 303.377 3.911 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1SC ZINC000010543040 563357402 /nfs/dbraw/zinc/35/74/02/563357402.db2.gz OFKKGBQSAIHIRT-OAHLLOKOSA-N 1 0 320.502 3.793 50 0 DHAARO C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000010541734 563357511 /nfs/dbraw/zinc/35/75/11/563357511.db2.gz KEVKJVFCLJSKBX-INIZCTEOSA-N 1 0 300.446 3.545 50 0 DHAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011820887 563360042 /nfs/dbraw/zinc/36/00/42/563360042.db2.gz HPFRLKJJQHOFSX-MRXNPFEDSA-N 1 0 314.816 3.830 50 0 DHAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000012057678 563361103 /nfs/dbraw/zinc/36/11/03/563361103.db2.gz UUJPYPPQAVYTHG-MRXNPFEDSA-N 1 0 301.430 3.921 50 0 DHAARO OCC1(CCCc2ccccc2)CC[NH+]([C@H]2CCSC2)CC1 ZINC000011947380 563361207 /nfs/dbraw/zinc/36/12/07/563361207.db2.gz ZJFHEZSUAHCNBJ-SFHVURJKSA-N 1 0 319.514 3.589 50 0 DHAARO C/C=C(\C)C[N@H+]1CCC[C@@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012094068 563361851 /nfs/dbraw/zinc/36/18/51/563361851.db2.gz OYSHLVZUYVDPDF-HQYNXSMWSA-N 1 0 317.429 3.565 50 0 DHAARO COc1cccc(N2CC[NH+](C[C@H](C)c3ccccc3)CC2)c1 ZINC000012383494 563368094 /nfs/dbraw/zinc/36/80/94/563368094.db2.gz BCWDVVXLIHDBGJ-KRWDZBQOSA-N 1 0 310.441 3.621 50 0 DHAARO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000012385109 563368395 /nfs/dbraw/zinc/36/83/95/563368395.db2.gz GTTRUHLJEHMXKG-DNVCBOLYSA-N 1 0 300.446 3.590 50 0 DHAARO CSCC[C@@H]([NH3+])c1nc2ccccc2n1Cc1ccccc1 ZINC000012602676 563371319 /nfs/dbraw/zinc/37/13/19/563371319.db2.gz JOVPURHSOZNSAD-OAHLLOKOSA-N 1 0 311.454 3.838 50 0 DHAARO CCN(CC)c1ncccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000012701520 563372567 /nfs/dbraw/zinc/37/25/67/563372567.db2.gz WESSZLZRZXLXOI-UHFFFAOYSA-N 1 0 303.837 3.871 50 0 DHAARO CC[N@H+](CC(=O)NCc1cccs1)Cc1cc(C)ccc1C ZINC000012984343 563376811 /nfs/dbraw/zinc/37/68/11/563376811.db2.gz SBNLJYLVMGMRTB-UHFFFAOYSA-N 1 0 316.470 3.503 50 0 DHAARO COc1ccc2cc(C[N@H+](C)CCc3ccccn3)ccc2c1 ZINC000032751558 563390274 /nfs/dbraw/zinc/39/02/74/563390274.db2.gz FKLBPMIHRGGCML-UHFFFAOYSA-N 1 0 306.409 3.918 50 0 DHAARO C[C@H]([NH2+]Cc1nc(C2CC2)no1)C12CC3CC(CC(C3)C1)C2 ZINC000032769993 563392246 /nfs/dbraw/zinc/39/22/46/563392246.db2.gz FPXXLJCJOFPBPM-IWERZKIRSA-N 1 0 301.434 3.642 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000014013778 563394052 /nfs/dbraw/zinc/39/40/52/563394052.db2.gz PGYZCTJQNSLNEN-UHFFFAOYSA-N 1 0 322.452 3.956 50 0 DHAARO O=C(NC1CC[NH+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000014808974 563403789 /nfs/dbraw/zinc/40/37/89/563403789.db2.gz OPORTZAGXXDZJJ-UHFFFAOYSA-N 1 0 322.452 3.514 50 0 DHAARO Oc1ccc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)cc1 ZINC000015079414 563406636 /nfs/dbraw/zinc/40/66/36/563406636.db2.gz BHAVIFYDZDEGDO-KRWDZBQOSA-N 1 0 300.377 3.608 50 0 DHAARO Cc1oc(-c2ccccc2F)nc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000015076055 563406686 /nfs/dbraw/zinc/40/66/86/563406686.db2.gz YNVIRZFPGIWCNP-CQSZACIVSA-N 1 0 318.392 3.526 50 0 DHAARO Cc1ccccc1N1CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC1 ZINC000020118994 563416396 /nfs/dbraw/zinc/41/63/96/563416396.db2.gz VCSNEKDIEUJUEF-KRWDZBQOSA-N 1 0 318.505 3.883 50 0 DHAARO c1coc(-c2cccc(N3CCC([NH2+]Cc4ccon4)CC3)c2)c1 ZINC000023582185 563420070 /nfs/dbraw/zinc/42/00/70/563420070.db2.gz WDANPBGHLBZAOB-UHFFFAOYSA-N 1 0 323.396 3.693 50 0 DHAARO Cc1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000027793177 563429864 /nfs/dbraw/zinc/42/98/64/563429864.db2.gz DORSJNADSFCFJJ-IBGZPJMESA-N 1 0 308.425 3.562 50 0 DHAARO Cc1cc(C)c(C[NH2+][C@H](C)CCCC(C)(C)O)c(C)c1CO ZINC000032523832 563442679 /nfs/dbraw/zinc/44/26/79/563442679.db2.gz FTONZKWGRJWDKV-OAHLLOKOSA-N 1 0 307.478 3.523 50 0 DHAARO CSc1ccc2c(C)cc(N[C@H](C)c3nncn3C)nc2c1 ZINC000032513818 563442731 /nfs/dbraw/zinc/44/27/31/563442731.db2.gz SWIIAHZOGKSMAS-LLVKDONJSA-N 1 0 313.430 3.567 50 0 DHAARO Clc1ccc(OCCOCC[NH+]2CCCCC2)c(Cl)c1 ZINC000002896387 563449665 /nfs/dbraw/zinc/44/96/65/563449665.db2.gz RCCDBSQLMMGVNJ-UHFFFAOYSA-N 1 0 318.244 3.875 50 0 DHAARO O=C(C[NH2+]Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000052537576 563469046 /nfs/dbraw/zinc/46/90/46/563469046.db2.gz DNAGZCHFYMPFJQ-UHFFFAOYSA-N 1 0 309.196 3.722 50 0 DHAARO CC[C@H](C)[N@H+](Cc1ccc(NC(C)=O)cc1)Cc1cccnc1 ZINC000055404427 563475229 /nfs/dbraw/zinc/47/52/29/563475229.db2.gz AMMBNWUKKTYDQV-HNNXBMFYSA-N 1 0 311.429 3.841 50 0 DHAARO Cc1[nH]c2ccccc2c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055543385 563476600 /nfs/dbraw/zinc/47/66/00/563476600.db2.gz POSUDKVKSYHVKM-UHFFFAOYSA-N 1 0 323.415 3.938 50 0 DHAARO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccs3)CC2)nc1 ZINC000096478328 563484334 /nfs/dbraw/zinc/48/43/34/563484334.db2.gz KCMUZVDLNXHTSJ-AWEZNQCLSA-N 1 0 301.459 3.771 50 0 DHAARO C[N@H+](CCc1nc2cc(Cl)ccc2[nH]1)CCC(F)(F)F ZINC000067674323 563488627 /nfs/dbraw/zinc/48/86/27/563488627.db2.gz WFVXYTQDEGUYBX-UHFFFAOYSA-N 1 0 305.731 3.643 50 0 DHAARO OCc1ccccc1Oc1ccc(C[NH+]2CCCC2)cc1F ZINC000067654972 563488813 /nfs/dbraw/zinc/48/88/13/563488813.db2.gz ZEARHZGSLWDZHQ-UHFFFAOYSA-N 1 0 301.361 3.706 50 0 DHAARO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1-c1ccccc1 ZINC000067771191 563490445 /nfs/dbraw/zinc/49/04/45/563490445.db2.gz MQDMFVFAOQUSSZ-KRWDZBQOSA-N 1 0 322.452 3.767 50 0 DHAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 ZINC000067770156 563490688 /nfs/dbraw/zinc/49/06/88/563490688.db2.gz QKLHGNATLARTMO-ZDUSSCGKSA-N 1 0 312.417 3.500 50 0 DHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000067846768 563492090 /nfs/dbraw/zinc/49/20/90/563492090.db2.gz QFERDGHSMKEFKW-CYBMUJFWSA-N 1 0 320.820 3.508 50 0 DHAARO C[C@@]1(C(c2ccccc2)c2ccccc2)[NH2+]CCc2nc[nH]c21 ZINC000067842452 563492679 /nfs/dbraw/zinc/49/26/79/563492679.db2.gz NEKRMRIRZFNVPJ-FQEVSTJZSA-N 1 0 303.409 3.603 50 0 DHAARO CC(C)=CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000067872107 563493455 /nfs/dbraw/zinc/49/34/55/563493455.db2.gz ZQTVJNKCFJBLAV-LJQANCHMSA-N 1 0 314.473 3.598 50 0 DHAARO COc1cccc(C[C@@H](C)[NH2+]Cc2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000067982107 563494809 /nfs/dbraw/zinc/49/48/09/563494809.db2.gz AOQVSGGXACTGSD-OAHLLOKOSA-N 1 0 323.440 3.909 50 0 DHAARO CC(C)[C@@H]1CN(Cc2cccc(Cl)n2)CCC[N@@H+]1CC1CC1 ZINC000071388648 563498970 /nfs/dbraw/zinc/49/89/70/563498970.db2.gz SGERUKFXNFLLQK-KRWDZBQOSA-N 1 0 321.896 3.677 50 0 DHAARO c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000071638824 563500495 /nfs/dbraw/zinc/50/04/95/563500495.db2.gz NMQMMKATORBIQD-YPAWHYETSA-N 1 0 318.464 3.749 50 0 DHAARO c1csc(-c2nc(C[NH2+]CCc3nccs3)cs2)c1 ZINC000072255094 563503182 /nfs/dbraw/zinc/50/31/82/563503182.db2.gz CZLTUCAXFNCRTM-UHFFFAOYSA-N 1 0 307.469 3.660 50 0 DHAARO Fc1ccc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000072408622 563503270 /nfs/dbraw/zinc/50/32/70/563503270.db2.gz KJVZXSNCRUPDHD-NRFANRHFSA-N 1 0 324.443 3.501 50 0 DHAARO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[NH2+]1 ZINC000072343478 563503594 /nfs/dbraw/zinc/50/35/94/563503594.db2.gz YGICTQDVZKMGGF-ZDUSSCGKSA-N 1 0 316.470 3.678 50 0 DHAARO Cn1c(CN2CCC[N@@H+](C3CCCC3)CC2)cc2ccccc21 ZINC000077358551 563509468 /nfs/dbraw/zinc/50/94/68/563509468.db2.gz GKTWOUUDFZPGPE-UHFFFAOYSA-N 1 0 311.473 3.629 50 0 DHAARO CSCc1ccc(N(C)C[C@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC000077427244 563510269 /nfs/dbraw/zinc/51/02/69/563510269.db2.gz ATGFWNLBMWHSPQ-MRXNPFEDSA-N 1 0 307.507 3.501 50 0 DHAARO CSc1cccc(C[N@H+](C)[C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000077455409 563511239 /nfs/dbraw/zinc/51/12/39/563511239.db2.gz SIIBWWQREQBXIJ-MRXNPFEDSA-N 1 0 321.486 3.569 50 0 DHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccncc2)cc1 ZINC000077518410 563511520 /nfs/dbraw/zinc/51/15/20/563511520.db2.gz PXPMBLVRLGPVBC-IBGZPJMESA-N 1 0 323.440 3.511 50 0 DHAARO CC[NH+](CC)[C@@H](CNc1nc(C)cc(C)n1)c1ccsc1 ZINC000097286641 563515593 /nfs/dbraw/zinc/51/55/93/563515593.db2.gz UVWZGQXYVLOAJZ-HNNXBMFYSA-N 1 0 304.463 3.650 50 0 DHAARO Cc1cc(N2CCC[C@H](c3nccn3C)C2)c2ccccc2[nH+]1 ZINC000082087693 563518686 /nfs/dbraw/zinc/51/86/86/563518686.db2.gz ZEEOEGLKUISJFY-HNNXBMFYSA-N 1 0 306.413 3.661 50 0 DHAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000096132000 563533273 /nfs/dbraw/zinc/53/32/73/563533273.db2.gz OWUDTRTUIWEBCW-INIZCTEOSA-N 1 0 303.450 3.560 50 0 DHAARO C[C@@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(O)cc1 ZINC000097797553 563542813 /nfs/dbraw/zinc/54/28/13/563542813.db2.gz IWLYZUFCQUFGKR-CYBMUJFWSA-N 1 0 318.461 3.516 50 0 DHAARO c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc1 ZINC000000206905 563578023 /nfs/dbraw/zinc/57/80/23/563578023.db2.gz FVXYIDIDZZMWAZ-UHFFFAOYSA-N 1 0 303.409 3.557 50 0 DHAARO CC(C)Oc1cccc(C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000113401323 563581638 /nfs/dbraw/zinc/58/16/38/563581638.db2.gz DLIIRIJJSVJLKQ-UHFFFAOYSA-N 1 0 309.413 3.682 50 0 DHAARO CC(C)CCNC(=O)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000000299510 563586480 /nfs/dbraw/zinc/58/64/80/563586480.db2.gz WNLSSWLTXDZNLA-KRWDZBQOSA-N 1 0 316.489 3.664 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000011847326 563599884 /nfs/dbraw/zinc/59/98/84/563599884.db2.gz BXGXPPXTLUSKMR-HZPDHXFCSA-N 1 0 305.462 3.598 50 0 DHAARO C[NH2+][C@H]1Cc2cc(OC)c(OC)cc2Sc2ccccc21 ZINC000002001012 563620993 /nfs/dbraw/zinc/62/09/93/563620993.db2.gz ZGRXNASCHPJSHC-ZDUSSCGKSA-N 1 0 301.411 3.672 50 0 DHAARO Cc1nc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cs1 ZINC000273521813 563626043 /nfs/dbraw/zinc/62/60/43/563626043.db2.gz QCSRRYQAHSRCJZ-SJORKVTESA-N 1 0 320.433 3.943 50 0 DHAARO COc1ccc(/C=C\c2cc[n+](C)c3ccccc23)cc1OC ZINC000017352392 563627239 /nfs/dbraw/zinc/62/72/39/563627239.db2.gz LQKMRTRCPWWETR-NTMALXAHSA-N 1 0 306.385 3.852 50 0 DHAARO CCC[NH+]1CCC(NCc2ccccc2C(F)(F)F)CC1 ZINC000000759119 563632076 /nfs/dbraw/zinc/63/20/76/563632076.db2.gz MCUNYKDQCKWPKW-UHFFFAOYSA-N 1 0 300.368 3.669 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COc1ccccc1 ZINC000169679265 563647206 /nfs/dbraw/zinc/64/72/06/563647206.db2.gz CQJRVHSQODLXPZ-DOTOQJQBSA-N 1 0 317.429 3.628 50 0 DHAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2F)[C@H](C)C1 ZINC000107058497 563682724 /nfs/dbraw/zinc/68/27/24/563682724.db2.gz AESHEFFZZCIMHS-XNJGSVPQSA-N 1 0 324.415 3.508 50 0 DHAARO FC(F)(F)c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000047975376 563692630 /nfs/dbraw/zinc/69/26/30/563692630.db2.gz MWUCWAYOQTVIDR-VXGBXAGGSA-N 1 0 319.758 3.793 50 0 DHAARO FC(F)(F)[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000048310015 563695774 /nfs/dbraw/zinc/69/57/74/563695774.db2.gz QIVCHQICYGERAD-AWEZNQCLSA-N 1 0 309.335 3.647 50 0 DHAARO Cc1cc([C@H](C)[NH2+]Cc2cnc3n[nH]c(C)c3c2)c(C)s1 ZINC000048355074 563697616 /nfs/dbraw/zinc/69/76/16/563697616.db2.gz KMLQOSMYZLJILO-JTQLQIEISA-N 1 0 300.431 3.795 50 0 DHAARO Cc1n[nH]c(C)c1CN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000215328464 563705509 /nfs/dbraw/zinc/70/55/09/563705509.db2.gz PDZPFNDRHQBTGQ-QGZVFWFLSA-N 1 0 309.417 3.630 50 0 DHAARO CCOc1ccc(-c2ccc(C[N@@H+]3CC[C@H](COC)C3)o2)cc1 ZINC000215734502 563706936 /nfs/dbraw/zinc/70/69/36/563706936.db2.gz FGZGADQLFROULV-HNNXBMFYSA-N 1 0 315.413 3.814 50 0 DHAARO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320161 563721476 /nfs/dbraw/zinc/72/14/76/563721476.db2.gz FHNLQMOTWOJGGY-DZGCQCFKSA-N 1 0 300.427 3.912 50 0 DHAARO NC(=O)C1CC[NH+](Cc2cccc3c4ccccc4sc32)CC1 ZINC000219953115 563722337 /nfs/dbraw/zinc/72/23/37/563722337.db2.gz OYXJZPBWZJUNMO-UHFFFAOYSA-N 1 0 324.449 3.752 50 0 DHAARO Cc1c[nH+]ccc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000225360267 563752790 /nfs/dbraw/zinc/75/27/90/563752790.db2.gz QYGPUZUDGLUWFG-LSDHHAIUSA-N 1 0 319.449 3.520 50 0 DHAARO Cc1nc(CO[C@H]2CC[N@@H+]([C@H](C)c3ccccc3F)C2)cs1 ZINC000225407981 563754142 /nfs/dbraw/zinc/75/41/42/563754142.db2.gz JNOQCLPXZHBYEZ-DOMZBBRYSA-N 1 0 320.433 3.943 50 0 DHAARO CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000225436869 563755042 /nfs/dbraw/zinc/75/50/42/563755042.db2.gz JOTVAHQQQMFYDR-RYRKJORJSA-N 1 0 308.510 3.685 50 0 DHAARO C[C@H](CO)[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000225570573 563759318 /nfs/dbraw/zinc/75/93/18/563759318.db2.gz WRJXEJOKBRFYRC-GFCCVEGCSA-N 1 0 301.352 3.831 50 0 DHAARO C[C@@H]1SCCN(Cc2cnc(Cl)cn2)[C@@H]1c1ccccc1 ZINC000225573973 563759461 /nfs/dbraw/zinc/75/94/61/563759461.db2.gz VWRDNWUQGFJJIE-LRDDRELGSA-N 1 0 319.861 3.809 50 0 DHAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)C1CCCC1 ZINC000240203832 563776678 /nfs/dbraw/zinc/77/66/78/563776678.db2.gz JTVKUNNOGFYCJV-SFHVURJKSA-N 1 0 318.436 3.659 50 0 DHAARO CCc1ccc(C(=O)Nc2ccc(CC[NH+](CC)CC)cc2)o1 ZINC000241846668 563778096 /nfs/dbraw/zinc/77/80/96/563778096.db2.gz SMRQNYMGYCFYMN-UHFFFAOYSA-N 1 0 314.429 3.979 50 0 DHAARO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H](O)c1ccc(O)cc1 ZINC000241965607 563778175 /nfs/dbraw/zinc/77/81/75/563778175.db2.gz UUHKXPRLUBBUFM-RFEVWBHWSA-N 1 0 303.446 3.763 50 0 DHAARO CCCC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248218901 563782873 /nfs/dbraw/zinc/78/28/73/563782873.db2.gz HGVLFLMXSLDGHB-UHFFFAOYSA-N 1 0 320.440 3.883 50 0 DHAARO Cc1[nH+]c(N)nc(N)c1/C=C\[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000211039123 563785037 /nfs/dbraw/zinc/78/50/37/563785037.db2.gz KXBLWJBWPHUIPI-PTDYZRSTSA-N 1 0 322.334 3.785 50 0 DHAARO Cc1nnc(CN2CCc3sccc3[C@@H]2c2ccccc2)o1 ZINC000052685586 563792799 /nfs/dbraw/zinc/79/27/99/563792799.db2.gz WUXUFBJXZFUBOG-KRWDZBQOSA-N 1 0 311.410 3.587 50 0 DHAARO C[C@H](CC[NH+](C)C)OC(=O)c1ccc([C@H](C)c2ccccc2)o1 ZINC000001817506 563796067 /nfs/dbraw/zinc/79/60/67/563796067.db2.gz UQKRKNYMJLVFPM-HUUCEWRRSA-N 1 0 315.413 3.928 50 0 DHAARO c1cn(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)cc2)cn1 ZINC000012540294 563799508 /nfs/dbraw/zinc/79/95/08/563799508.db2.gz QPYCRFYXOIHNLB-UHFFFAOYSA-N 1 0 316.408 3.686 50 0 DHAARO C[N@H+](CCCS(=O)(=O)c1ccccc1)C1CCCCCCC1 ZINC000083860851 563813557 /nfs/dbraw/zinc/81/35/57/563813557.db2.gz CVEROFJVQPSZQV-UHFFFAOYSA-N 1 0 323.502 3.895 50 0 DHAARO c1cc(-c2noc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)cs1 ZINC000012739579 563818489 /nfs/dbraw/zinc/81/84/89/563818489.db2.gz LUWLQDIYACZGME-JSGCOSHPSA-N 1 0 303.431 3.953 50 0 DHAARO O=C(CC[N@@H+]1CCC[C@@H]1CC1CCCCC1)N1CCCCC1 ZINC000084543938 563827441 /nfs/dbraw/zinc/82/74/41/563827441.db2.gz JMFMUFNYVMHNBH-GOSISDBHSA-N 1 0 306.494 3.824 50 0 DHAARO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000084755290 563830437 /nfs/dbraw/zinc/83/04/37/563830437.db2.gz BDSXXBHKLXTUBO-IRXDYDNUSA-N 1 0 306.494 3.558 50 0 DHAARO CC[C@H](C(=O)Nc1ccc2c3c(cccc31)CC2)[NH+](CC)CC ZINC000084718768 563830709 /nfs/dbraw/zinc/83/07/09/563830709.db2.gz TVIOEDGEZWCMPA-GOSISDBHSA-N 1 0 310.441 3.997 50 0 DHAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000012414178 563837519 /nfs/dbraw/zinc/83/75/19/563837519.db2.gz JKXCTIFAGZFWSE-HYCCEDHASA-N 1 0 321.505 3.596 50 0 DHAARO CCOc1ccc(-c2c[n+](-c3ccccc3)c3n2CCS3)cc1 ZINC000001497951 563839907 /nfs/dbraw/zinc/83/99/07/563839907.db2.gz NVYRRZPUHOPAHO-UHFFFAOYSA-N 1 0 323.441 3.936 50 0 DHAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2COc3ccccc32)c1 ZINC000241707029 563880730 /nfs/dbraw/zinc/88/07/30/563880730.db2.gz QMCFYAZVLOMJEV-IQUTYRLHSA-N 1 0 324.424 3.860 50 0 DHAARO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000241383096 563880841 /nfs/dbraw/zinc/88/08/41/563880841.db2.gz MSNKOFCRZPUSKV-ULQDDVLXSA-N 1 0 300.446 3.834 50 0 DHAARO C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000089375148 563885486 /nfs/dbraw/zinc/88/54/86/563885486.db2.gz CSMYIWLVWJTCFC-IRXDYDNUSA-N 1 0 314.816 3.515 50 0 DHAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)C)s1 ZINC000036101650 563893802 /nfs/dbraw/zinc/89/38/02/563893802.db2.gz PEPBEWNDMOTLQQ-INIZCTEOSA-N 1 0 313.507 3.691 50 0 DHAARO O[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)c1ccc(Cl)s1 ZINC000192914165 563901269 /nfs/dbraw/zinc/90/12/69/563901269.db2.gz ZHCBFOCLKKRBRN-KGLIPLIRSA-N 1 0 322.861 3.972 50 0 DHAARO c1ccc2c(c1)NCCC[C@@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000170085034 563903650 /nfs/dbraw/zinc/90/36/50/563903650.db2.gz HMKVGAMGARCQIW-IBGZPJMESA-N 1 0 322.456 3.718 50 0 DHAARO Cc1c2ccccc2oc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000007437448 563906343 /nfs/dbraw/zinc/90/63/43/563906343.db2.gz JRHWJWDLYXRCJS-UHFFFAOYSA-N 1 0 322.408 3.733 50 0 DHAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007486595 563906658 /nfs/dbraw/zinc/90/66/58/563906658.db2.gz BDROAGWGPAMHAE-NSHDSACASA-N 1 0 300.324 3.518 50 0 DHAARO CC(C)(C)OC(=O)N1CCC(CC[NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000170591398 563906756 /nfs/dbraw/zinc/90/67/56/563906756.db2.gz HCXJQDCEPZSZKN-IAGOWNOFSA-N 1 0 322.493 3.756 50 0 DHAARO CC[N@H+](CCCO[C@H]1CCCCO1)[C@@H](C)c1cccc(O)c1 ZINC000170595555 563907070 /nfs/dbraw/zinc/90/70/70/563907070.db2.gz FIEPZQXAIFSRSQ-YJBOKZPZSA-N 1 0 307.434 3.708 50 0 DHAARO Cc1ccc(C[NH2+][C@H](CCO)C(C)(C)C)cc1Br ZINC000170595427 563907178 /nfs/dbraw/zinc/90/71/78/563907178.db2.gz NJJLXUMDJKZLSC-CQSZACIVSA-N 1 0 314.267 3.644 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCc1cccs1 ZINC000249700905 563909740 /nfs/dbraw/zinc/90/97/40/563909740.db2.gz YEGIBBZXAWFRQE-IAGOWNOFSA-N 1 0 320.502 3.546 50 0 DHAARO Cc1ccc([C@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)o1 ZINC000089596799 563910714 /nfs/dbraw/zinc/91/07/14/563910714.db2.gz MVPSJEULUWTIDZ-HNNXBMFYSA-N 1 0 312.413 3.561 50 0 DHAARO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089744419 563911012 /nfs/dbraw/zinc/91/10/12/563911012.db2.gz IUALHNZZYBGOIL-GHMZBOCLSA-N 1 0 315.244 3.512 50 0 DHAARO c1nc(-c2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)n[nH]1 ZINC000089730874 563911032 /nfs/dbraw/zinc/91/10/32/563911032.db2.gz BXAZTNFUQIWDLW-INIZCTEOSA-N 1 0 322.437 3.798 50 0 DHAARO COc1ccc([C@@H](C)NCc2ccco2)cc1C[NH+]1CCCC1 ZINC000089904659 563912196 /nfs/dbraw/zinc/91/21/96/563912196.db2.gz RMAGTMVYKSHROA-OAHLLOKOSA-N 1 0 314.429 3.735 50 0 DHAARO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3nc(C)c(C)o3)C2)cc1 ZINC000076391567 563912730 /nfs/dbraw/zinc/91/27/30/563912730.db2.gz BYBMAZJWTHVUAJ-BLLLJJGKSA-N 1 0 300.402 3.678 50 0 DHAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000195561947 563919849 /nfs/dbraw/zinc/91/98/49/563919849.db2.gz QHEFRYXQEQFSTI-HNNXBMFYSA-N 1 0 306.413 3.675 50 0 DHAARO C[NH2+]Cc1ccccc1OCc1ccc(Br)cc1F ZINC000037702489 563920057 /nfs/dbraw/zinc/92/00/57/563920057.db2.gz UUBCGRBTGAGJKC-UHFFFAOYSA-N 1 0 324.193 3.887 50 0 DHAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@H]1CCCSC1 ZINC000584889746 563925542 /nfs/dbraw/zinc/92/55/42/563925542.db2.gz LKFISFSZMXVMES-LBPRGKRZSA-N 1 0 310.413 3.782 50 0 DHAARO O=C(c1ccco1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638374 563926310 /nfs/dbraw/zinc/92/63/10/563926310.db2.gz LOJONMJJVHHNAE-QZTJIDSGSA-N 1 0 324.424 3.549 50 0 DHAARO O=C(c1ccoc1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638382 563926330 /nfs/dbraw/zinc/92/63/30/563926330.db2.gz YTUUAGUYVVANQS-RBUKOAKNSA-N 1 0 324.424 3.549 50 0 DHAARO Cc1cccc([C@@H](C)[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000078947606 563930114 /nfs/dbraw/zinc/93/01/14/563930114.db2.gz STDGRQPOPOREBK-MRXNPFEDSA-N 1 0 303.446 3.716 50 0 DHAARO C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1cccc(-n2cncn2)c1 ZINC000080241163 563930973 /nfs/dbraw/zinc/93/09/73/563930973.db2.gz NWSQUTQMTFAKME-CQSZACIVSA-N 1 0 318.380 3.864 50 0 DHAARO COC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2)cc1 ZINC000095420445 563931291 /nfs/dbraw/zinc/93/12/91/563931291.db2.gz RHUNSMDWSBNVDR-LLVKDONJSA-N 1 0 320.339 3.994 50 0 DHAARO C[C@@H]([NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)nc21)c1ccncc1 ZINC000095402213 563931457 /nfs/dbraw/zinc/93/14/57/563931457.db2.gz WZIQWIQQMPDDON-ZBFHGGJFSA-N 1 0 312.461 3.804 50 0 DHAARO CSc1ccc([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1F ZINC000095967215 563932865 /nfs/dbraw/zinc/93/28/65/563932865.db2.gz GMWWSLSUSNXSRH-LLVKDONJSA-N 1 0 321.465 3.791 50 0 DHAARO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000095971499 563933348 /nfs/dbraw/zinc/93/33/48/563933348.db2.gz GJVIRSGHYCISFZ-HZPDHXFCSA-N 1 0 314.816 3.802 50 0 DHAARO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000095982439 563933887 /nfs/dbraw/zinc/93/38/87/563933887.db2.gz NTQOXIOSVPCAKM-UHFFFAOYSA-N 1 0 310.319 3.746 50 0 DHAARO Cc1c(Br)cccc1C[N@H+](C)CC1CCOCC1 ZINC000095981815 563933994 /nfs/dbraw/zinc/93/39/94/563933994.db2.gz HOKKYARVMQMGKX-UHFFFAOYSA-N 1 0 312.251 3.616 50 0 DHAARO Cc1cccc([C@@H]([NH2+]Cc2cc(=O)c(O)co2)C(C)(C)C)c1 ZINC000095985705 563934213 /nfs/dbraw/zinc/93/42/13/563934213.db2.gz FXKRVDRWQUQBPL-QGZVFWFLSA-N 1 0 301.386 3.531 50 0 DHAARO Cc1cnc([C@H](C)N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000096003610 563934562 /nfs/dbraw/zinc/93/45/62/563934562.db2.gz QHFJXWAANOXMLX-DOTOQJQBSA-N 1 0 313.445 3.687 50 0 DHAARO Cc1cc(OCC[NH+]2CCCCC2)c2c(c1C)C(=O)CCC2 ZINC000096028069 563935251 /nfs/dbraw/zinc/93/52/51/563935251.db2.gz DQRBIEGNVKBVTB-UHFFFAOYSA-N 1 0 301.430 3.687 50 0 DHAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(C)cc2)CC1 ZINC000003060232 563941812 /nfs/dbraw/zinc/94/18/12/563941812.db2.gz SXHPRNYDDGRIQW-HNNXBMFYSA-N 1 0 319.518 3.887 50 0 DHAARO CCCC[NH+](CCCC)C[C@H](O)COCc1ccccc1F ZINC000003179332 563942688 /nfs/dbraw/zinc/94/26/88/563942688.db2.gz AFAUZGYXRCPVAX-KRWDZBQOSA-N 1 0 311.441 3.605 50 0 DHAARO C[N@H+](Cc1ccccc1)C1CCN(CC[C@H]2CC2(F)F)CC1 ZINC000670437776 563943435 /nfs/dbraw/zinc/94/34/35/563943435.db2.gz JFQRCKAMIKPUCV-INIZCTEOSA-N 1 0 308.416 3.628 50 0 DHAARO COc1cccc(NC(=O)[C@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000003386155 563943835 /nfs/dbraw/zinc/94/38/35/563943835.db2.gz IDMZMCJIJIJDQE-LJQANCHMSA-N 1 0 324.424 3.907 50 0 DHAARO CC[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)[NH+]1CCCC1 ZINC000031229416 563944393 /nfs/dbraw/zinc/94/43/93/563944393.db2.gz QQDZMUSVDPLWST-FQEVSTJZSA-N 1 0 322.452 3.958 50 0 DHAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(-c2cccc(C)c2)nc1 ZINC000670452709 563944542 /nfs/dbraw/zinc/94/45/42/563944542.db2.gz UFBMLJTVHGRNRZ-BWTSREIZSA-N 1 0 323.440 3.594 50 0 DHAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cc(-c3ccccc3)no2)c1 ZINC000069520679 563953144 /nfs/dbraw/zinc/95/31/44/563953144.db2.gz DDRSUZLRZIGMMB-CABCVRRESA-N 1 0 310.401 3.586 50 0 DHAARO CN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc2sccc2c1 ZINC000069509837 563953283 /nfs/dbraw/zinc/95/32/83/563953283.db2.gz KCSMNLXJDOEPCY-UHFFFAOYSA-N 1 0 317.458 3.707 50 0 DHAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cc(-c3cccs3)on2)c1 ZINC000069652045 563953971 /nfs/dbraw/zinc/95/39/71/563953971.db2.gz DIRLBZVDSBBGDA-OLZOCXBDSA-N 1 0 316.430 3.647 50 0 DHAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000009992114 563958120 /nfs/dbraw/zinc/95/81/20/563958120.db2.gz LIULCQYOUJNQHT-UHFFFAOYSA-N 1 0 322.452 3.829 50 0 DHAARO Cn1cc([C@@H]2CCCN2Cc2csc(C3CCCC3)n2)cn1 ZINC000071797181 563958522 /nfs/dbraw/zinc/95/85/22/563958522.db2.gz JQBWIONSCXLHJH-INIZCTEOSA-N 1 0 316.474 3.871 50 0 DHAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[NH+](CC)CC)cc2)n1 ZINC000048179129 568413121 /nfs/dbraw/zinc/41/31/21/568413121.db2.gz FBWLXAXRQJJWDY-UHFFFAOYSA-N 1 0 313.445 3.621 50 0 DHAARO Cc1cccc(Cl)c1NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000097095247 568413564 /nfs/dbraw/zinc/41/35/64/568413564.db2.gz UABMCAFNKFCCLR-DZGCQCFKSA-N 1 0 321.852 3.596 50 0 DHAARO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC23CCCC3)CCO1 ZINC000340378357 1013881178 /nfs/dbraw/zinc/88/11/78/1013881178.db2.gz SAIRNAOXYVMUPF-BPQIPLTHSA-N 1 0 317.477 3.733 50 0 DHAARO O=C1CCCN1Cc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000192664429 1032510894 /nfs/dbraw/zinc/51/08/94/1032510894.db2.gz NHICHJFLSUGJTN-SFHVURJKSA-N 1 0 324.424 3.569 50 0 DHAARO Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](CO)C[C@@H]3C)s2)cc1 ZINC000952846091 1032664940 /nfs/dbraw/zinc/66/49/40/1032664940.db2.gz ANQOWHPNQGSODB-GJZGRUSLSA-N 1 0 316.470 3.711 50 0 DHAARO Cc1c(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)[nH]c2ccccc12 ZINC000952963646 1032671417 /nfs/dbraw/zinc/67/14/17/1032671417.db2.gz LGHPHKBNNMDDJF-GOSISDBHSA-N 1 0 310.445 3.877 50 0 DHAARO Cc1ccc(-c2ccc(C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2)cc1 ZINC000952966155 1032671958 /nfs/dbraw/zinc/67/19/58/1032671958.db2.gz CDFRDPDKVFHQHY-QGZVFWFLSA-N 1 0 322.452 3.876 50 0 DHAARO c1ccc([C@H](C[NH2+]Cc2ccncc2)N2CCCCCC2)cc1 ZINC000952960256 1032672637 /nfs/dbraw/zinc/67/26/37/1032672637.db2.gz SWTBBPXLSPGIPF-FQEVSTJZSA-N 1 0 309.457 3.789 50 0 DHAARO OCc1cccc(C[NH2+]Cc2ccc3cc(Cl)ccc3n2)c1 ZINC000952973578 1032675709 /nfs/dbraw/zinc/67/57/09/1032675709.db2.gz UVTRGILZKBPQMO-UHFFFAOYSA-N 1 0 312.800 3.670 50 0 DHAARO COCC1(C[NH2+]Cc2cc3ccc(Cl)cc3[nH]c2=O)CCC1 ZINC000952976642 1032678013 /nfs/dbraw/zinc/67/80/13/1032678013.db2.gz NZEIPIMZVQKRJQ-UHFFFAOYSA-N 1 0 320.820 3.500 50 0 DHAARO CCc1nc(C)c(C[NH2+][C@H]2CC(C)(C)Oc3cc(C)ccc32)[nH]1 ZINC000952983347 1032682297 /nfs/dbraw/zinc/68/22/97/1032682297.db2.gz PCUVSJKNZNXQDY-HNNXBMFYSA-N 1 0 313.445 3.981 50 0 DHAARO Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCC[C@H]3[NH+](C)C)cc2)cc1 ZINC000952988700 1032685617 /nfs/dbraw/zinc/68/56/17/1032685617.db2.gz ONXJFHNBJOSRPU-WOJBJXKFSA-N 1 0 322.452 3.875 50 0 DHAARO Cc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000952990384 1032685953 /nfs/dbraw/zinc/68/59/53/1032685953.db2.gz VZCLWVVBMSZETH-INIZCTEOSA-N 1 0 316.395 3.889 50 0 DHAARO c1sc(-c2ccccc2)nc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341989670 1017445212 /nfs/dbraw/zinc/44/52/12/1017445212.db2.gz MJSWQPKYCXLOAE-GOSISDBHSA-N 1 0 314.454 3.813 50 0 DHAARO Cc1ccc(Oc2ncccc2C[NH2+]C2CCSCC2)cn1 ZINC000011668109 1019844935 /nfs/dbraw/zinc/84/49/35/1019844935.db2.gz MSITXTGIQIVVRN-UHFFFAOYSA-N 1 0 315.442 3.563 50 0 DHAARO C[C@@H](CC(F)(F)F)[NH2+]CCCc1nc2cc(F)ccc2[nH]1 ZINC000820978080 1020222763 /nfs/dbraw/zinc/22/27/63/1020222763.db2.gz AQWSIHCTUGVMGW-VIFPVBQESA-N 1 0 303.303 3.565 50 0 DHAARO Cc1nccn1CC[C@@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000821758589 1020273536 /nfs/dbraw/zinc/27/35/36/1020273536.db2.gz LOELPUIUBNCTGR-CQSZACIVSA-N 1 0 308.429 3.510 50 0 DHAARO Cn1ccc2cc(C[N@H+](C)CC[C@H](O)c3ccccc3)ccc21 ZINC000823709312 1020443949 /nfs/dbraw/zinc/44/39/49/1020443949.db2.gz XKZUZOYKLYXCAX-FQEVSTJZSA-N 1 0 308.425 3.734 50 0 DHAARO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)c1ccccc1 ZINC000023281076 1020473043 /nfs/dbraw/zinc/47/30/43/1020473043.db2.gz BZPRPXJRGVZBOU-MRXNPFEDSA-N 1 0 309.331 3.871 50 0 DHAARO FC(F)Oc1ccccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172582446 1020555534 /nfs/dbraw/zinc/55/55/34/1020555534.db2.gz QNHDDPSQWKVTLW-UHFFFAOYSA-N 1 0 324.415 3.738 50 0 DHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCc2ccccc21 ZINC000827762972 1020794404 /nfs/dbraw/zinc/79/44/04/1020794404.db2.gz AMYLWGWRMWGCEL-HXUWFJFHSA-N 1 0 320.436 3.951 50 0 DHAARO c1cc(-c2ccc(C[N@@H+]3CCc4sccc4C3)s2)n[nH]1 ZINC000829065033 1020842963 /nfs/dbraw/zinc/84/29/63/1020842963.db2.gz CMYCGOPJVJPDKT-UHFFFAOYSA-N 1 0 301.440 3.758 50 0 DHAARO Cc1cccc(NC(=O)N2CCCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000581788001 1020906560 /nfs/dbraw/zinc/90/65/60/1020906560.db2.gz NOAAVZLZYXLERR-GOSISDBHSA-N 1 0 315.461 3.867 50 0 DHAARO C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000002498492 1021106844 /nfs/dbraw/zinc/10/68/44/1021106844.db2.gz SGQHRGPXIXKVER-YLJYHZDGSA-N 1 0 300.490 3.862 50 0 DHAARO Brc1ccccc1OCCCCCn1ccnc1 ZINC000002494225 1021740211 /nfs/dbraw/zinc/74/02/11/1021740211.db2.gz ZGOAFDDCOOPLLU-UHFFFAOYSA-N 1 0 309.207 3.895 50 0 DHAARO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC000183533061 1022177491 /nfs/dbraw/zinc/17/74/91/1022177491.db2.gz VAFTUEGYJNQIAM-HNNXBMFYSA-N 1 0 314.429 3.650 50 0 DHAARO CC1(C)CC[C@H](C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)O1 ZINC000184665950 1022413364 /nfs/dbraw/zinc/41/33/64/1022413364.db2.gz UOCJQLOZKBOMES-OAHLLOKOSA-N 1 0 313.445 3.700 50 0 DHAARO OCC[C@H](C[NH2+][C@@H](c1ccccn1)C1CCC1)c1ccccc1 ZINC000585135027 1022996986 /nfs/dbraw/zinc/99/69/86/1022996986.db2.gz UQAMHDPQYCDLLA-UYAOXDASSA-N 1 0 310.441 3.679 50 0 DHAARO C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1cc2ccccc2o1 ZINC000048683742 1023803880 /nfs/dbraw/zinc/80/38/80/1023803880.db2.gz NLLGEAHIIDVUCA-CQSZACIVSA-N 1 0 322.412 3.674 50 0 DHAARO Clc1ccc(-c2nc3c([nH]2)CN(Cc2cccnc2)CC3)cc1 ZINC000215936864 1024527237 /nfs/dbraw/zinc/52/72/37/1024527237.db2.gz QCKZBULCAFWSEI-UHFFFAOYSA-N 1 0 324.815 3.683 50 0 DHAARO [NH3+]C1CC(c2cc(NCC3CCCCC3)nc(C3CC3)n2)C1 ZINC000219936816 1024570005 /nfs/dbraw/zinc/57/00/05/1024570005.db2.gz GZVLFFARAWXUCK-UHFFFAOYSA-N 1 0 300.450 3.551 50 0 DHAARO C[C@H](/C=C\c1ccccn1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000888099275 1024703234 /nfs/dbraw/zinc/70/32/34/1024703234.db2.gz YLIWVEGOELKEQW-KABQWYEXSA-N 1 0 311.429 3.503 50 0 DHAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000138640883 1025774747 /nfs/dbraw/zinc/77/47/47/1025774747.db2.gz PHDCCNHDMFKQIP-ZBFHGGJFSA-N 1 0 319.445 3.867 50 0 DHAARO Cc1ccc(-c2nc3ccccc3c(NCC[NH+](C)C)n2)cc1 ZINC000000914952 1026122946 /nfs/dbraw/zinc/12/29/46/1026122946.db2.gz YRVADAYVZPUTCZ-UHFFFAOYSA-N 1 0 306.413 3.579 50 0 DHAARO CCCc1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000047486334 1026375649 /nfs/dbraw/zinc/37/56/49/1026375649.db2.gz VEPSEEWDZQHOJO-UHFFFAOYSA-N 1 0 315.461 3.731 50 0 DHAARO c1ccc2nc(C[NH+]3CCC(OC4CCCC4)CC3)cnc2c1 ZINC000585094254 1029738375 /nfs/dbraw/zinc/73/83/75/1029738375.db2.gz XRLAZGRSRMOAJK-UHFFFAOYSA-N 1 0 311.429 3.553 50 0 DHAARO Cc1n[nH]c(C)c1C[NH+]1CCC2(CC1)c1ccccc1N=C2C ZINC000585117131 1029780118 /nfs/dbraw/zinc/78/01/18/1029780118.db2.gz RONHURRDPMCEGC-UHFFFAOYSA-N 1 0 308.429 3.666 50 0 DHAARO Cn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CCCC[C@@H]2[NH3+] ZINC000629722182 1031064887 /nfs/dbraw/zinc/06/48/87/1031064887.db2.gz LWJIJJNAQDPNCO-ZDUSSCGKSA-N 1 0 309.335 3.832 50 0 DHAARO FC(F)(F)c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000222683515 1037859595 /nfs/dbraw/zinc/85/95/95/1037859595.db2.gz MWUCWAYOQTVIDR-NEPJUHHUSA-N 1 0 319.758 3.793 50 0 DHAARO CC(C)c1nc(CC[NH2+][C@H](C)c2ccc3c(c2)OCO3)cs1 ZINC000157032788 1038492781 /nfs/dbraw/zinc/49/27/81/1038492781.db2.gz WKPBDOWMZDHOHL-GFCCVEGCSA-N 1 0 318.442 3.889 50 0 DHAARO CC(C)C(=O)N1CCC2(C[N@@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000169786997 1040884627 /nfs/dbraw/zinc/88/46/27/1040884627.db2.gz VQGUNPOKVUFDMK-GOSISDBHSA-N 1 0 314.473 3.717 50 0 DHAARO CCNc1cc[nH+]c(CN(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000089977921 185273353 /nfs/dbraw/zinc/27/33/53/185273353.db2.gz JEALVYMEQKGOQV-GFCCVEGCSA-N 1 0 305.372 3.985 50 0 DHAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)c1ccccc1Cl ZINC000089948709 185270822 /nfs/dbraw/zinc/27/08/22/185270822.db2.gz QFVBRDJUFGIEAY-QEORTHHSSA-N 1 0 308.853 3.638 50 0 DHAARO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1CC)c1ccccc1 ZINC000089948727 185270925 /nfs/dbraw/zinc/27/09/25/185270925.db2.gz VIWZZVRNMLIZDL-MNEFBYGVSA-N 1 0 314.473 3.764 50 0 DHAARO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000000568293 190615491 /nfs/dbraw/zinc/61/54/91/190615491.db2.gz DWERVABRYFHGEC-UHFFFAOYSA-N 1 0 312.413 3.789 50 0 DHAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000095406062 185355867 /nfs/dbraw/zinc/35/58/67/185355867.db2.gz BMORSXNJUVYLDN-GJZGRUSLSA-N 1 0 306.409 3.810 50 0 DHAARO COc1cccc2cc([C@@H](C)[NH2+][C@H](C)C3CCOCC3)oc21 ZINC000095419650 185360125 /nfs/dbraw/zinc/36/01/25/185360125.db2.gz SJUDFDRNBYVODX-CHWSQXEVSA-N 1 0 303.402 3.907 50 0 DHAARO CC(=O)Nc1ccc(CNc2ccc(C)cc2C[NH+](C)C)cc1 ZINC000095429107 185362511 /nfs/dbraw/zinc/36/25/11/185362511.db2.gz JOAASKSRRLQUOW-UHFFFAOYSA-N 1 0 311.429 3.627 50 0 DHAARO C[C@H](CCn1cncn1)[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000097012294 185396874 /nfs/dbraw/zinc/39/68/74/185396874.db2.gz HXCANJCBUOZXQR-MRXNPFEDSA-N 1 0 322.412 3.639 50 0 DHAARO Clc1cccc(CNc2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000095462163 185371024 /nfs/dbraw/zinc/37/10/24/185371024.db2.gz DNHKPGXGNXTIPI-UHFFFAOYSA-N 1 0 318.852 3.635 50 0 DHAARO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ncc(C)s2)cc1OC ZINC000097017229 185397681 /nfs/dbraw/zinc/39/76/81/185397681.db2.gz YCFROBBDZUUCHR-DGCLKSJQSA-N 1 0 320.458 3.751 50 0 DHAARO C(=C/c1ccccc1)\CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000022578835 190647659 /nfs/dbraw/zinc/64/76/59/190647659.db2.gz ADRMEFKTOGZSDK-NTUHNPAUSA-N 1 0 320.480 3.950 50 0 DHAARO Fc1ccc(C2CC([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)C2)cc1 ZINC000097084853 185407488 /nfs/dbraw/zinc/40/74/88/185407488.db2.gz XNCHQZOMGUYQMN-STCOUPBVSA-N 1 0 321.461 3.716 50 0 DHAARO CCn1cc(C[NH2+]Cc2ccc(C)cc2OC(C)(C)C)cn1 ZINC000083843580 192385518 /nfs/dbraw/zinc/38/55/18/192385518.db2.gz OMKAKTAJLULAJA-UHFFFAOYSA-N 1 0 301.434 3.679 50 0 DHAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)n1 ZINC000072143103 191049162 /nfs/dbraw/zinc/04/91/62/191049162.db2.gz YBBFKSJVQGCANT-QGZVFWFLSA-N 1 0 322.412 3.602 50 0 DHAARO c1cc2ccc(NCc3cccc(C[NH+]4CCCC4)c3)nc2[nH]1 ZINC000072153471 191056913 /nfs/dbraw/zinc/05/69/13/191056913.db2.gz ISRZINOXHMJTEV-UHFFFAOYSA-N 1 0 306.413 3.771 50 0 DHAARO Cc1nnc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)s1 ZINC000072152753 191058370 /nfs/dbraw/zinc/05/83/70/191058370.db2.gz CYEOTCANPYUPGK-HNNXBMFYSA-N 1 0 317.458 3.539 50 0 DHAARO c1ccc2oc(N3CC[C@]4(C3)CCC[N@@H+](CC3CC3)C4)nc2c1 ZINC000072158059 191060498 /nfs/dbraw/zinc/06/04/98/191060498.db2.gz FASJPYIQFCSTFS-LJQANCHMSA-N 1 0 311.429 3.530 50 0 DHAARO Oc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2cscn2)cc1 ZINC000072165776 191065449 /nfs/dbraw/zinc/06/54/49/191065449.db2.gz LGANXOALOGSDOG-MRXNPFEDSA-N 1 0 302.443 3.836 50 0 DHAARO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)[nH]n1 ZINC000072425140 191159628 /nfs/dbraw/zinc/15/96/28/191159628.db2.gz CSDHAFIIAANBKK-ZDUSSCGKSA-N 1 0 301.409 3.836 50 0 DHAARO C[NH+](C)[C@@H]1CCC[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000001301877 180853998 /nfs/dbraw/zinc/85/39/98/180853998.db2.gz KWBLUDBBNZTNOA-RTBURBONSA-N 1 0 323.436 3.844 50 0 DHAARO Cc1cc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)ccc1Cl ZINC000001469931 180868629 /nfs/dbraw/zinc/86/86/29/180868629.db2.gz COZCCBGXWRWDCY-GDBMZVCRSA-N 1 0 319.832 3.739 50 0 DHAARO C[C@H](CC[NH+](C)C)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000001810648 180897434 /nfs/dbraw/zinc/89/74/34/180897434.db2.gz BPZNOFKMNCMRQO-MRXNPFEDSA-N 1 0 311.425 3.702 50 0 DHAARO Cc1nccn1CCCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182097592 199386674 /nfs/dbraw/zinc/38/66/74/199386674.db2.gz GLQLVOPPHCCPQJ-KRWDZBQOSA-N 1 0 317.408 3.614 50 0 DHAARO S=C(NCCC[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000002727761 180948980 /nfs/dbraw/zinc/94/89/80/180948980.db2.gz SSGWOVOSFASACE-UHFFFAOYSA-N 1 0 311.882 3.502 50 0 DHAARO CC(=O)c1cccc(NC(=O)[C@@H]([NH2+]C(C)C)c2ccccc2)c1 ZINC000003327452 181006198 /nfs/dbraw/zinc/00/61/98/181006198.db2.gz ZVCFTISUVIHEQX-SFHVURJKSA-N 1 0 310.397 3.567 50 0 DHAARO C[N@H+](C[C@@H](O)COc1cccc2ccccc21)C1CCCCC1 ZINC000003293102 181001564 /nfs/dbraw/zinc/00/15/64/181001564.db2.gz KEEFQICJHPCWPG-GOSISDBHSA-N 1 0 313.441 3.844 50 0 DHAARO c1ccc(-c2ccccc2OCCOCC[NH+]2CCCC2)cc1 ZINC000003460942 181023514 /nfs/dbraw/zinc/02/35/14/181023514.db2.gz KXUDJRPJTLSHHF-UHFFFAOYSA-N 1 0 311.425 3.845 50 0 DHAARO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000003571840 181036255 /nfs/dbraw/zinc/03/62/55/181036255.db2.gz HKAYEKUNHNEOOR-GOSISDBHSA-N 1 0 312.388 3.991 50 0 DHAARO Nc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc[n+]12 ZINC000004263160 181089616 /nfs/dbraw/zinc/08/96/16/181089616.db2.gz PWUWJAHXYRPPDE-UHFFFAOYSA-N 1 0 304.398 3.798 50 0 DHAARO CCCCOc1cccc(NC(=O)O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000004566626 181125189 /nfs/dbraw/zinc/12/51/89/181125189.db2.gz JJUAGJJYEPVXBC-QGZVFWFLSA-N 1 0 318.417 3.508 50 0 DHAARO COc1ccc(/C=C\c2ccc3ccccc3[n+]2C)cc1OC ZINC000004582337 181126983 /nfs/dbraw/zinc/12/69/83/181126983.db2.gz IZIPTBVOQVGYLK-FLIBITNWSA-N 1 0 306.385 3.852 50 0 DHAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000004680433 181135759 /nfs/dbraw/zinc/13/57/59/181135759.db2.gz VPKUVLLRZBDQEJ-MRXNPFEDSA-N 1 0 316.489 3.937 50 0 DHAARO COc1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)cc1 ZINC000004678663 181136312 /nfs/dbraw/zinc/13/63/12/181136312.db2.gz GKARZFLTNQXENO-UHFFFAOYSA-N 1 0 311.360 3.847 50 0 DHAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CSC(N)=[NH2+])cc1 ZINC000004724487 181143061 /nfs/dbraw/zinc/14/30/61/181143061.db2.gz CMKIHTVZYQPCON-UHFFFAOYSA-N 1 0 322.437 3.974 50 0 DHAARO C[N@H+](CCOC(=O)Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000004755796 181148777 /nfs/dbraw/zinc/14/87/77/181148777.db2.gz NGNVRGGBWVDJMS-UHFFFAOYSA-N 1 0 317.816 3.558 50 0 DHAARO C[N@H+](CCOC(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000004755671 181149261 /nfs/dbraw/zinc/14/92/61/181149261.db2.gz QYDJSNQJXABCPU-UHFFFAOYSA-N 1 0 303.789 3.629 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000005030957 181193821 /nfs/dbraw/zinc/19/38/21/181193821.db2.gz JHZGVRGOFWFLNQ-IRXDYDNUSA-N 1 0 305.462 3.590 50 0 DHAARO COc1ccc2[nH]c(C)c(C(=O)C[N@H+]3[C@H](C)CCC[C@@H]3C)c2c1 ZINC000005119000 181204776 /nfs/dbraw/zinc/20/47/76/181204776.db2.gz QUHNCOFYZXPAOI-BETUJISGSA-N 1 0 314.429 3.931 50 0 DHAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1(c2ccccc2)CC1 ZINC000078355245 191852083 /nfs/dbraw/zinc/85/20/83/191852083.db2.gz FFIGPJMDLZZBPJ-MRXNPFEDSA-N 1 0 308.425 3.725 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000005559851 181257426 /nfs/dbraw/zinc/25/74/26/181257426.db2.gz RPLRJQNMFZPNEH-DLBZAZTESA-N 1 0 305.462 3.733 50 0 DHAARO Cc1nn(C)cc1[C@@H](C)[NH2+]CC1=Cc2cc(Cl)ccc2OC1 ZINC000237424807 202261813 /nfs/dbraw/zinc/26/18/13/202261813.db2.gz AXKSFGFQDFPELN-LLVKDONJSA-N 1 0 317.820 3.509 50 0 DHAARO C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000006007644 181305379 /nfs/dbraw/zinc/30/53/79/181305379.db2.gz SVAGUECYRSHNGL-GFCCVEGCSA-N 1 0 316.426 3.771 50 0 DHAARO CC(C)c1ccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000006008040 181305806 /nfs/dbraw/zinc/30/58/06/181305806.db2.gz JQKCVMHFHDPFRO-SOLBZPMBSA-N 1 0 305.462 3.813 50 0 DHAARO Cc1cccc(Cn2cc(C[NH2+]C(C)(C)CO)c3ccccc32)c1 ZINC000247880277 202695165 /nfs/dbraw/zinc/69/51/65/202695165.db2.gz BYTODARXWXUOGT-UHFFFAOYSA-N 1 0 322.452 3.859 50 0 DHAARO Cc1cc(C)cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000006726450 181378001 /nfs/dbraw/zinc/37/80/01/181378001.db2.gz PPBYSLGUGVOLEI-UHFFFAOYSA-N 1 0 315.461 3.786 50 0 DHAARO CSc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000006730287 181378528 /nfs/dbraw/zinc/37/85/28/181378528.db2.gz SNQWOWDKAQZUIU-UHFFFAOYSA-N 1 0 319.474 3.501 50 0 DHAARO CCS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000091730997 193098554 /nfs/dbraw/zinc/09/85/54/193098554.db2.gz LMJQIDCAWGDGFR-NWANDNLSSA-N 1 0 318.490 3.671 50 0 DHAARO Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3cccnc3)cc(=O)c2c1 ZINC000092098815 193158226 /nfs/dbraw/zinc/15/82/26/193158226.db2.gz JNSPDTSONQHKIP-IBGZPJMESA-N 1 0 319.408 3.569 50 0 DHAARO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000093705848 193295186 /nfs/dbraw/zinc/29/51/86/193295186.db2.gz QXRXJSRWRGQYQC-ZUOKHONESA-N 1 0 307.484 3.549 50 0 DHAARO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(N2CCOC2=O)c1 ZINC000095969315 193465983 /nfs/dbraw/zinc/46/59/83/193465983.db2.gz DXRGLGVREAZBFF-DYVFJYSZSA-N 1 0 320.458 3.580 50 0 DHAARO O=C(Nc1ccc(F)cc1F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010368162 181667895 /nfs/dbraw/zinc/66/78/95/181667895.db2.gz ZXVMMTWDUGGOJA-UHFFFAOYSA-N 1 0 316.351 3.813 50 0 DHAARO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1F ZINC000010339720 181667239 /nfs/dbraw/zinc/66/72/39/181667239.db2.gz ARRSQDVIASAZDB-SFHVURJKSA-N 1 0 312.388 3.910 50 0 DHAARO COc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C)CC3)o2)cc1 ZINC000015471044 182004201 /nfs/dbraw/zinc/00/42/01/182004201.db2.gz LDCZOMBMNRJIKE-ZDUSSCGKSA-N 1 0 301.390 3.538 50 0 DHAARO Cc1cc(C)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000015582497 182008416 /nfs/dbraw/zinc/00/84/16/182008416.db2.gz JHVHIHSXNUXMII-UHFFFAOYSA-N 1 0 322.452 3.698 50 0 DHAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000015684616 182012445 /nfs/dbraw/zinc/01/24/45/182012445.db2.gz HNHQAOOBEYWCDN-BRWVUGGUSA-N 1 0 319.489 3.987 50 0 DHAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(O)c2)cc1 ZINC000015836940 182020349 /nfs/dbraw/zinc/02/03/49/182020349.db2.gz ZWARLLURPHMZTF-KRWDZBQOSA-N 1 0 313.397 3.747 50 0 DHAARO Cc1cc(C)c2[nH]c(C[N@@H+](C)Cc3ccc(F)cc3)cc(=O)c2c1 ZINC000015862325 182022412 /nfs/dbraw/zinc/02/24/12/182022412.db2.gz ASJZPKDRSYKPGK-UHFFFAOYSA-N 1 0 324.399 3.916 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000016335337 182041375 /nfs/dbraw/zinc/04/13/75/182041375.db2.gz RKTAVHHFLGLJFQ-VXGBXAGGSA-N 1 0 305.809 3.868 50 0 DHAARO Cc1ccccc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019537672 182128920 /nfs/dbraw/zinc/12/89/20/182128920.db2.gz DFOOSEXUUKKUER-YRNVUSSQSA-N 1 0 306.453 3.826 50 0 DHAARO COc1cccc(CC[NH2+]Cc2ccccc2Br)c1 ZINC000019720733 182138494 /nfs/dbraw/zinc/13/84/94/182138494.db2.gz CZICTWKATBXFHD-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO CCc1ccc(CN2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000019842398 182155972 /nfs/dbraw/zinc/15/59/72/182155972.db2.gz UNEQEEVPWCOSSZ-UHFFFAOYSA-N 1 0 300.490 3.945 50 0 DHAARO O[C@@]1(c2cccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000019799080 182151432 /nfs/dbraw/zinc/15/14/32/182151432.db2.gz YYEKMBYFVPXXMN-NRFANRHFSA-N 1 0 303.405 3.933 50 0 DHAARO C[NH2+]CCOc1ccc(C)cc1-c1cccc(-c2cc[nH]n2)c1 ZINC000019800528 182151785 /nfs/dbraw/zinc/15/17/85/182151785.db2.gz HNQUMVQBJJBUMI-UHFFFAOYSA-N 1 0 307.397 3.650 50 0 DHAARO Cc1ccccc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019900165 182161677 /nfs/dbraw/zinc/16/16/77/182161677.db2.gz FZHBXAZVSXLFOE-UHFFFAOYSA-N 1 0 314.860 3.966 50 0 DHAARO O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000019872430 182159267 /nfs/dbraw/zinc/15/92/67/182159267.db2.gz HMOCHMXWHVTYHE-SFHVURJKSA-N 1 0 311.356 3.909 50 0 DHAARO COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000020010341 182177287 /nfs/dbraw/zinc/17/72/87/182177287.db2.gz NYOFLAMHIMULAO-QGZVFWFLSA-N 1 0 303.789 3.592 50 0 DHAARO C[C@H]1C[NH+](CCCOc2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000020166789 182193976 /nfs/dbraw/zinc/19/39/76/182193976.db2.gz OXVPDCJLDRLJJL-HOTGVXAUSA-N 1 0 305.462 3.862 50 0 DHAARO CC[NH+]1CCN(CCOc2ccc(C(C)(C)C)cc2Cl)CC1 ZINC000020406288 182215246 /nfs/dbraw/zinc/21/52/46/182215246.db2.gz INOBIISVPXFGNC-UHFFFAOYSA-N 1 0 324.896 3.654 50 0 DHAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC000020514795 182226889 /nfs/dbraw/zinc/22/68/89/182226889.db2.gz AZPSQKUNHQZFNF-HNNXBMFYSA-N 1 0 309.365 3.535 50 0 DHAARO Cc1cc(C)cc(NC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000021175273 182268241 /nfs/dbraw/zinc/26/82/41/182268241.db2.gz QRCCCRHQBGCMOT-MRXNPFEDSA-N 1 0 315.461 3.689 50 0 DHAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000021718071 182285319 /nfs/dbraw/zinc/28/53/19/182285319.db2.gz WNRVUIDCQVLJEV-UHFFFAOYSA-N 1 0 315.461 3.662 50 0 DHAARO C[NH+](C)C1(CNc2ncnc3sccc32)CCCCCC1 ZINC000021791057 182288967 /nfs/dbraw/zinc/28/89/67/182288967.db2.gz VZRHGUHGQFBCTI-UHFFFAOYSA-N 1 0 304.463 3.758 50 0 DHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccccc1 ZINC000021835787 182293995 /nfs/dbraw/zinc/29/39/95/182293995.db2.gz DELKOEVEBHZOAH-HNNXBMFYSA-N 1 0 315.442 3.707 50 0 DHAARO Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000022463304 182321941 /nfs/dbraw/zinc/32/19/41/182321941.db2.gz BRSGPNFMXHZYJV-HXUWFJFHSA-N 1 0 322.452 3.870 50 0 DHAARO Clc1cc(Cl)cc([C@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000023363456 182357927 /nfs/dbraw/zinc/35/79/27/182357927.db2.gz NKUCMZXLDJSIKD-KRWDZBQOSA-N 1 0 321.251 3.988 50 0 DHAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccsc2)C1 ZINC000023375188 182358083 /nfs/dbraw/zinc/35/80/83/182358083.db2.gz XQMYUCZGLJJCAJ-IBGZPJMESA-N 1 0 314.498 3.887 50 0 DHAARO COc1ccc(Cl)cc1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000032870695 182673284 /nfs/dbraw/zinc/67/32/84/182673284.db2.gz OWZRFNQQJWYJSP-STQMWFEESA-N 1 0 324.852 3.655 50 0 DHAARO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCCCC1 ZINC000040023418 183027964 /nfs/dbraw/zinc/02/79/64/183027964.db2.gz UTWVRIVOPIJKEM-UHFFFAOYSA-N 1 0 319.836 3.503 50 0 DHAARO c1csc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769788 183021528 /nfs/dbraw/zinc/02/15/28/183021528.db2.gz AQLRASXAHOOIBE-MSOLQXFVSA-N 1 0 304.503 3.977 50 0 DHAARO CCc1cccc(CC)c1NC(=O)NCCC[NH+]1CCCCC1 ZINC000040098949 183034772 /nfs/dbraw/zinc/03/47/72/183034772.db2.gz GXJDFRDSACQCDT-UHFFFAOYSA-N 1 0 317.477 3.809 50 0 DHAARO CC(C)CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000048286419 183638158 /nfs/dbraw/zinc/63/81/58/183638158.db2.gz XRKWYWHDEPTGHR-UHFFFAOYSA-N 1 0 302.462 3.725 50 0 DHAARO CC[N@H+](Cc1csc(-c2ncccn2)n1)C1CCCCC1 ZINC000051857854 183839815 /nfs/dbraw/zinc/83/98/15/183839815.db2.gz JIVLBYJLPCTMQT-UHFFFAOYSA-N 1 0 302.447 3.755 50 0 DHAARO C[NH+](C)CCN(CC1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000058147188 184081162 /nfs/dbraw/zinc/08/11/62/184081162.db2.gz SPFWGPUZCZEHHP-UHFFFAOYSA-N 1 0 321.440 3.802 50 0 DHAARO C[C@H](CC[N@@H+]1CCCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000065394448 184334914 /nfs/dbraw/zinc/33/49/14/184334914.db2.gz PJNJIJJURXAKDB-QGZVFWFLSA-N 1 0 314.473 3.515 50 0 DHAARO CCOc1cccc(C[N@H+](Cc2cccc3nonc32)C2CC2)c1 ZINC000065432623 184344355 /nfs/dbraw/zinc/34/43/55/184344355.db2.gz ZHGNYZDXVPHKHY-UHFFFAOYSA-N 1 0 323.396 3.786 50 0 DHAARO Clc1cc2cccnc2c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000065622513 184374777 /nfs/dbraw/zinc/37/47/77/184374777.db2.gz FQPUPHUJTHIGQN-QGZVFWFLSA-N 1 0 315.848 3.558 50 0 DHAARO COCc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)ccc1F ZINC000095422714 257211360 /nfs/dbraw/zinc/21/13/60/257211360.db2.gz JVEIYRQRVXBXRH-GFCCVEGCSA-N 1 0 317.360 3.552 50 0 DHAARO C[C@@H](c1cccc(-c2csc(C(N)=O)c2)c1)[NH+]1CCCC1 ZINC000426621869 257245045 /nfs/dbraw/zinc/24/50/45/257245045.db2.gz XVKZDNKNFQYUGS-LBPRGKRZSA-N 1 0 300.427 3.671 50 0 DHAARO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C)C2CC2)o1 ZINC000253630054 257257878 /nfs/dbraw/zinc/25/78/78/257257878.db2.gz MOMNAZHJXDUYNN-KDOFPFPSSA-N 1 0 318.461 3.590 50 0 DHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000239869304 257259897 /nfs/dbraw/zinc/25/98/97/257259897.db2.gz CYAZDZCKJXCXFN-INMHGKMJSA-N 1 0 301.434 3.556 50 0 DHAARO C[C@@H](NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1cnccn1 ZINC000095422917 262545839 /nfs/dbraw/zinc/54/58/39/262545839.db2.gz GCYSLJZYIUAWLE-IAGOWNOFSA-N 1 0 324.472 3.791 50 0 DHAARO c1ccc([C@H]2O[n+]3ccccc3S[C@H]2c2ccccc2)cc1 ZINC000001264349 331465792 /nfs/dbraw/zinc/46/57/92/331465792.db2.gz RRRKGNGJOTYDIV-MOPGFXCFSA-N 1 0 306.410 3.991 50 0 DHAARO c1ccc(N2CC[C@@H]([NH2+]CCCOC3CCCCC3)C2)cc1 ZINC000534631759 334307547 /nfs/dbraw/zinc/30/75/47/334307547.db2.gz VQTOJAPRWNJKAG-QGZVFWFLSA-N 1 0 302.462 3.594 50 0 DHAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000534670177 334319896 /nfs/dbraw/zinc/31/98/96/334319896.db2.gz OTWDAOOGMNUXJH-LBPRGKRZSA-N 1 0 308.853 3.612 50 0 DHAARO CC[C@@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1ncccc1C ZINC000534670120 334320049 /nfs/dbraw/zinc/32/00/49/334320049.db2.gz LINDCRAPRZJWQS-GOSISDBHSA-N 1 0 313.445 3.688 50 0 DHAARO COc1ccc2c(c1F)CC[C@@H]2Nc1ccc2c(c1)ncn2C ZINC000343798470 335193691 /nfs/dbraw/zinc/19/36/91/335193691.db2.gz PJBUXUZVOPEDOC-AWEZNQCLSA-N 1 0 311.360 3.820 50 0 DHAARO CC(C)c1ccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000252426668 337383699 /nfs/dbraw/zinc/38/36/99/337383699.db2.gz JQKCVMHFHDPFRO-JFIYKMOQSA-N 1 0 305.462 3.813 50 0 DHAARO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)c2ccccc2)cc1 ZINC000036095158 518151143 /nfs/dbraw/zinc/15/11/43/518151143.db2.gz KBJJLRPIZAXGPX-FQEVSTJZSA-N 1 0 313.441 3.887 50 0 DHAARO O=C(CC1CCCCC1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262028796 526363105 /nfs/dbraw/zinc/36/31/05/526363105.db2.gz JNRUIQXFISJZSL-UHFFFAOYSA-N 1 0 307.463 3.519 50 0 DHAARO Nc1cc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)ccn1 ZINC000191609730 527450775 /nfs/dbraw/zinc/45/07/75/527450775.db2.gz NVBMEHJYMHHABG-MRXNPFEDSA-N 1 0 321.346 3.924 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C(C)(C)C)c2c1cccc2Cl ZINC000012421916 563774095 /nfs/dbraw/zinc/77/40/95/563774095.db2.gz RVYFDHOEULQXRL-ZDUSSCGKSA-N 1 0 308.853 3.661 50 0 DHAARO CC[NH+](CC)CCOC(=O)[C@@H](c1cccs1)[C@H]1C=CCC1 ZINC000002039597 563798067 /nfs/dbraw/zinc/79/80/67/563798067.db2.gz PAQHBGYZMGCRMG-GOEBONIOSA-N 1 0 307.459 3.683 50 0 DHAARO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1cnc(C)s1 ZINC000170056720 563903202 /nfs/dbraw/zinc/90/32/02/563903202.db2.gz GWNXHFYUZMKKFN-IINYFYTJSA-N 1 0 304.415 3.635 50 0 DHAARO CCO[C@H]1C[C@@H](N(C)Cc2csc(CC)n2)C12CCCC2 ZINC000170637257 563913734 /nfs/dbraw/zinc/91/37/34/563913734.db2.gz BSCLIKUOKSLGAP-CABCVRRESA-N 1 0 308.491 3.875 50 0 DHAARO C[C@@H]1SCCN(Cc2nnc(-c3ccccc3Cl)o2)[C@H]1C ZINC000071911153 563333320 /nfs/dbraw/zinc/33/33/20/563333320.db2.gz PIMVHAPQPRLHEI-QWRGUYRKSA-N 1 0 323.849 3.716 50 0 DHAARO Clc1ccc(Oc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000067787440 563490337 /nfs/dbraw/zinc/49/03/37/563490337.db2.gz FZYRJENBSSUMSY-UHFFFAOYSA-N 1 0 303.793 3.908 50 0 DHAARO c1ccc2c(c1)CCc1c-2[nH+]c2ccccc2c1N1CCOCC1 ZINC000000088006 563215367 /nfs/dbraw/zinc/21/53/67/563215367.db2.gz NDTTVQJRZOMEFE-UHFFFAOYSA-N 1 0 316.404 3.837 50 0 DHAARO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000294177 563237126 /nfs/dbraw/zinc/23/71/26/563237126.db2.gz JERSUXAZMQUQSW-UHFFFAOYSA-N 1 0 316.832 3.671 50 0 DHAARO CCC[NH+]1CCC(N2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000000757235 563271753 /nfs/dbraw/zinc/27/17/53/563271753.db2.gz RRIKHTKNEXBMNL-UHFFFAOYSA-N 1 0 302.437 3.789 50 0 DHAARO C[NH+](C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 ZINC000000896455 563273097 /nfs/dbraw/zinc/27/30/97/563273097.db2.gz ZDIGNSYAACHWNL-OAHLLOKOSA-N 1 0 319.246 3.928 50 0 fda DHAARO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCCC(C)(C)O)cc1OC ZINC000002498989 563304472 /nfs/dbraw/zinc/30/44/72/563304472.db2.gz IVWGNEFIUYLTIU-LSDHHAIUSA-N 1 0 323.477 3.554 50 0 DHAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C)cc1C)CC2 ZINC000002490883 563304501 /nfs/dbraw/zinc/30/45/01/563304501.db2.gz OVABWLFBRRQTIC-UHFFFAOYSA-N 1 0 311.425 3.879 50 0 DHAARO Cc1cc(C)cc(C[C@](O)(c2ccccc2)[C@@H](C)C[NH+](C)C)c1 ZINC000003200656 563323099 /nfs/dbraw/zinc/32/30/99/563323099.db2.gz LUNIEBFSQFLIRQ-GHTZIAJQSA-N 1 0 311.469 3.931 50 0 DHAARO Cc1cccc(CN2CCC([NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000002734819 563340709 /nfs/dbraw/zinc/34/07/09/563340709.db2.gz IKWJPDFXHXSQPP-ROUUACIJSA-N 1 0 300.490 3.937 50 0 DHAARO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246882117 563341966 /nfs/dbraw/zinc/34/19/66/563341966.db2.gz CUIBYXPUUWNZBE-MKXAEBJUSA-N 1 0 321.509 3.516 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000009970622 563355062 /nfs/dbraw/zinc/35/50/62/563355062.db2.gz OETPTNXLMHOFES-GOSISDBHSA-N 1 0 313.441 3.648 50 0 DHAARO CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010295045 563355944 /nfs/dbraw/zinc/35/59/44/563355944.db2.gz GTPMTOFNIJDVJC-UHFFFAOYSA-N 1 0 324.424 3.933 50 0 DHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000012300296 563365696 /nfs/dbraw/zinc/36/56/96/563365696.db2.gz NUIUWKDOANKWRK-CQSZACIVSA-N 1 0 319.399 3.841 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000013135394 563378884 /nfs/dbraw/zinc/37/88/84/563378884.db2.gz SZXXXOBSIGXURT-DGCLKSJQSA-N 1 0 318.244 3.608 50 0 DHAARO Brc1c(OC2CC[NH2+]CC2)ccc2ccccc21 ZINC000014631949 563402301 /nfs/dbraw/zinc/40/23/01/563402301.db2.gz GSIXHKDZQMEDES-UHFFFAOYSA-N 1 0 306.203 3.733 50 0 DHAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 ZINC000014981256 563404638 /nfs/dbraw/zinc/40/46/38/563404638.db2.gz UDZBNUCESCELSC-AWEZNQCLSA-N 1 0 319.399 3.543 50 0 DHAARO COc1cccc(CC[C@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)c1 ZINC000015064174 563406000 /nfs/dbraw/zinc/40/60/00/563406000.db2.gz KCQPXDPKKBRIMQ-QGZVFWFLSA-N 1 0 313.445 3.572 50 0 DHAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](C)C1CCOCC1 ZINC000015072703 563407074 /nfs/dbraw/zinc/40/70/74/563407074.db2.gz HGBUBNAPEKACBA-UHFFFAOYSA-N 1 0 320.820 3.914 50 0 DHAARO C[N@H+](Cn1c2ccccc2oc1=O)[C@@H]1CCCc2ccccc21 ZINC000032899417 563410288 /nfs/dbraw/zinc/41/02/88/563410288.db2.gz FNMMJDOTOZJGBJ-MRXNPFEDSA-N 1 0 308.381 3.561 50 0 DHAARO CCCCNc1[nH+]cc(-c2ccc(OCC)cc2)n1CCOC ZINC000023213138 563419841 /nfs/dbraw/zinc/41/98/41/563419841.db2.gz OZFGDYDQXRGHJW-UHFFFAOYSA-N 1 0 317.433 3.807 50 0 DHAARO c1coc(-c2nnc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)o2)c1 ZINC000025358652 563422870 /nfs/dbraw/zinc/42/28/70/563422870.db2.gz GXGJTOAHVKMGDA-HNNXBMFYSA-N 1 0 309.369 3.537 50 0 DHAARO CC(C)[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000025820409 563424504 /nfs/dbraw/zinc/42/45/04/563424504.db2.gz WFMUCBBWOXIGFD-UHFFFAOYSA-N 1 0 318.367 3.814 50 0 DHAARO O[C@](CC[NH+]1CCCCC1)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000026892683 563426797 /nfs/dbraw/zinc/42/67/97/563426797.db2.gz YSXKPIUOCJLQIE-KOUHRCEDSA-N 1 0 311.469 3.962 50 0 in-vitro DHAARO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000027793202 563429978 /nfs/dbraw/zinc/42/99/78/563429978.db2.gz FPQOMHUFMBYCHS-HXUWFJFHSA-N 1 0 322.452 3.870 50 0 DHAARO Cc1ccc([C@H](CNC(=O)c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000027793199 563430064 /nfs/dbraw/zinc/43/00/64/563430064.db2.gz WKQFZTLWDQLJQK-FQEVSTJZSA-N 1 0 322.452 3.870 50 0 DHAARO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029810598 563436036 /nfs/dbraw/zinc/43/60/36/563436036.db2.gz ZWRMJKWVUYCIOD-LJQANCHMSA-N 1 0 308.425 3.807 50 0 DHAARO COc1ccc2oc(=O)cc(C[N@H+](C)Cc3ccc(C)cc3)c2c1 ZINC000033018713 563444373 /nfs/dbraw/zinc/44/43/73/563444373.db2.gz FVQSXVUYDOQVBF-UHFFFAOYSA-N 1 0 323.392 3.742 50 0 DHAARO c1ccc(CN2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000002498528 563448969 /nfs/dbraw/zinc/44/89/69/563448969.db2.gz HNKFXVGCCISYNN-QFIPXVFZSA-N 1 0 320.480 3.798 50 0 DHAARO C[C@@H](C[NH2+]Cc1cccc(Cl)c1Cl)Oc1ccccn1 ZINC000035287333 563452766 /nfs/dbraw/zinc/45/27/66/563452766.db2.gz QLIXCNJLFQTWCT-NSHDSACASA-N 1 0 311.212 3.946 50 0 DHAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000269296371 563458509 /nfs/dbraw/zinc/45/85/09/563458509.db2.gz VZDBZZIDDKUOBW-VXGBXAGGSA-N 1 0 320.820 3.594 50 0 DHAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000007984370 563460878 /nfs/dbraw/zinc/46/08/78/563460878.db2.gz UZGYTWUPCGXNQM-ILXRZTDVSA-N 1 0 304.434 3.581 50 0 DHAARO CCCCCN(C)c1ccc(F)cc1C[NH2+]C1CCC(O)CC1 ZINC000072312283 563464975 /nfs/dbraw/zinc/46/49/75/563464975.db2.gz CKGSKWFJDUGRCD-UHFFFAOYSA-N 1 0 322.468 3.845 50 0 DHAARO COCC[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000055393334 563475700 /nfs/dbraw/zinc/47/57/00/563475700.db2.gz GUOQAAYBYYRIKX-UHFFFAOYSA-N 1 0 300.427 3.878 50 0 DHAARO COc1ccccc1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000055543027 563476317 /nfs/dbraw/zinc/47/63/17/563476317.db2.gz JRCZAEQTNXMQHJ-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO C[C@@H]([NH2+]C[C@H](C)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000095422766 563476945 /nfs/dbraw/zinc/47/69/45/563476945.db2.gz FKNJFNMAMVAERV-QWHCGFSZSA-N 1 0 323.483 3.606 50 0 DHAARO CCC(CC)(CC)CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000096468957 563483620 /nfs/dbraw/zinc/48/36/20/563483620.db2.gz XFPGCGMAEIOHQJ-AWEZNQCLSA-N 1 0 306.454 3.515 50 0 DHAARO Cc1nccc(-c2cccc(N3CCC([NH2+]C4CCC4)CC3)c2)n1 ZINC000063847820 563484967 /nfs/dbraw/zinc/48/49/67/563484967.db2.gz UMCCDOOPKFBARN-UHFFFAOYSA-N 1 0 322.456 3.563 50 0 DHAARO Cc1nc(C[NH2+]C2CCN(c3cccc(C)c3C)CC2)cs1 ZINC000065405216 563486773 /nfs/dbraw/zinc/48/67/73/563486773.db2.gz NMPVEIBVDAGPHD-UHFFFAOYSA-N 1 0 315.486 3.827 50 0 DHAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(CC(C)C)on1)CC2 ZINC000067679280 563488762 /nfs/dbraw/zinc/48/87/62/563488762.db2.gz GJOOEMMXCRXPFV-MRXNPFEDSA-N 1 0 314.429 3.529 50 0 DHAARO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1cn2ccccc2n1 ZINC000067884508 563492933 /nfs/dbraw/zinc/49/29/33/563492933.db2.gz UOCURWNOQYWBKS-OAHLLOKOSA-N 1 0 318.424 3.927 50 0 DHAARO CCOc1cc2c(cc1OC)[C@@H](c1ccc(CC)cc1)[NH2+]CC2 ZINC000000034544 563506384 /nfs/dbraw/zinc/50/63/84/563506384.db2.gz OTMQDDADWVCUJS-HXUWFJFHSA-N 1 0 311.425 3.891 50 0 biogenic DHAARO Clc1nc(N2CC[NH+](C3CCCC3)CC2)cc2ccccc21 ZINC000023079850 563508550 /nfs/dbraw/zinc/50/85/50/563508550.db2.gz FVFLYILIQAUZBE-UHFFFAOYSA-N 1 0 315.848 3.953 50 0 DHAARO CCc1c[nH]nc1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000077459532 563510939 /nfs/dbraw/zinc/51/09/39/563510939.db2.gz IFIURPSEEZZBMZ-UHFFFAOYSA-N 1 0 320.440 3.900 50 0 DHAARO Cc1nccn1CC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000090472865 563524921 /nfs/dbraw/zinc/52/49/21/563524921.db2.gz AHLUVPWYZNOHQB-UHFFFAOYSA-N 1 0 303.837 3.757 50 0 DHAARO CC[C@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccsc1 ZINC000011438423 563526934 /nfs/dbraw/zinc/52/69/34/563526934.db2.gz AXSQWALQNCFPEB-OAHLLOKOSA-N 1 0 306.406 3.736 50 0 DHAARO CCC[NH+]1CCC(CC(=O)N(C)[C@@H](CC)c2cccnc2)CC1 ZINC000095375529 563530151 /nfs/dbraw/zinc/53/01/51/563530151.db2.gz UYKPUMUXSKYIEW-SFHVURJKSA-N 1 0 317.477 3.503 50 0 DHAARO Cc1ccccc1NC(=O)NCC1([NH+]2CCCC2)CCCC1 ZINC000096162439 563534943 /nfs/dbraw/zinc/53/49/43/563534943.db2.gz HKWSAWDUVOYUFP-UHFFFAOYSA-N 1 0 301.434 3.525 50 0 DHAARO Cc1nccn1CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000097307096 563538730 /nfs/dbraw/zinc/53/87/30/563538730.db2.gz JRQMJRCYWKWUAI-UHFFFAOYSA-N 1 0 321.827 3.896 50 0 DHAARO FC(F)(F)c1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000097553365 563539989 /nfs/dbraw/zinc/53/99/89/563539989.db2.gz YYJRMPFMILXOAZ-INIZCTEOSA-N 1 0 312.379 3.766 50 0 DHAARO CCSc1ncc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000097594755 563540114 /nfs/dbraw/zinc/54/01/14/563540114.db2.gz NOWFSPXFNZLJFD-OAHLLOKOSA-N 1 0 317.433 3.717 50 0 DHAARO Cc1cc(-c2nc3c([nH]2)C[NH2+]CC3)ccc1OCc1ccccc1 ZINC000097772876 563542809 /nfs/dbraw/zinc/54/28/09/563542809.db2.gz DNEXWUFADHCNIW-UHFFFAOYSA-N 1 0 319.408 3.610 50 0 DHAARO Cc1oc(-c2ccco2)nc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119897186 563565418 /nfs/dbraw/zinc/56/54/18/563565418.db2.gz YUKFFBMWHGDCHT-CQSZACIVSA-N 1 0 304.390 3.679 50 0 DHAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000247860762 563573936 /nfs/dbraw/zinc/57/39/36/563573936.db2.gz FWSHCMODWGVIGW-SFFUCWETSA-N 1 0 311.510 3.842 50 0 DHAARO CCn1cc(C[NH2+]CCc2nc3ccccc3[nH]2)c2ccccc21 ZINC000113399179 563581494 /nfs/dbraw/zinc/58/14/94/563581494.db2.gz YVGHDNIKVCVWNL-UHFFFAOYSA-N 1 0 318.424 3.870 50 0 DHAARO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CC(c2ccccc2F)C1 ZINC000128087684 563605307 /nfs/dbraw/zinc/60/53/07/563605307.db2.gz CWTVOXZOTDZFIR-VBRUCIBASA-N 1 0 303.377 3.767 50 0 DHAARO COCC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247949830 563605982 /nfs/dbraw/zinc/60/59/82/563605982.db2.gz YAIKIPVWCUPJFB-UHFFFAOYSA-N 1 0 308.425 3.734 50 0 DHAARO C[N@@H+]1CCCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000180667258 563645777 /nfs/dbraw/zinc/64/57/77/563645777.db2.gz LIUJWFOSNJRDPK-UHFFFAOYSA-N 1 0 315.442 3.585 50 0 DHAARO CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1(C)C ZINC000107339121 563683322 /nfs/dbraw/zinc/68/33/22/563683322.db2.gz WVGWJHYRHCAOQV-MSOLQXFVSA-N 1 0 320.521 3.804 50 0 DHAARO CCCCCNC(=O)C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000045944983 563691337 /nfs/dbraw/zinc/69/13/37/563691337.db2.gz MLVFUTYDYKNMRA-OAHLLOKOSA-N 1 0 320.452 3.905 50 0 DHAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000048326541 563696524 /nfs/dbraw/zinc/69/65/24/563696524.db2.gz IBOBGBNMCGIYMT-RBUKOAKNSA-N 1 0 314.473 3.923 50 0 DHAARO CC[NH+]1CCC(CNC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000049377585 563701150 /nfs/dbraw/zinc/70/11/50/563701150.db2.gz XKEOFMUAPFKLQQ-UHFFFAOYSA-N 1 0 321.273 3.517 50 0 DHAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1ccc([C@H]2CCCCO2)o1 ZINC000215181481 563704392 /nfs/dbraw/zinc/70/43/92/563704392.db2.gz BLALFQKWWRWGGB-QGZVFWFLSA-N 1 0 317.433 3.536 50 0 DHAARO Cc1c2cc(F)ccc2[nH]c1CN1CCOC2(CCCC2)C1 ZINC000215368949 563705036 /nfs/dbraw/zinc/70/50/36/563705036.db2.gz JDRUATQHOWSRMU-UHFFFAOYSA-N 1 0 302.393 3.760 50 0 DHAARO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)on1 ZINC000215529015 563706134 /nfs/dbraw/zinc/70/61/34/563706134.db2.gz OAQNOZUOTLJFCS-CQSZACIVSA-N 1 0 310.401 3.547 50 0 DHAARO C[N@@H+](Cc1ccc2cccc(Cl)c2n1)CC1CCOCC1 ZINC000216176578 563707982 /nfs/dbraw/zinc/70/79/82/563707982.db2.gz WEHXEMRZRDRGFZ-UHFFFAOYSA-N 1 0 304.821 3.747 50 0 DHAARO CCC[N@@H+](Cc1cnc(C2CCCCC2)nc1)C[C@H]1CCCO1 ZINC000216163913 563708491 /nfs/dbraw/zinc/70/84/91/563708491.db2.gz LDVRUQYKSXPURL-GOSISDBHSA-N 1 0 317.477 3.915 50 0 DHAARO COc1cccc2cc([C@@H](C)[NH2+][C@H]3CC[C@H](CO)CC3)oc21 ZINC000181896740 563712276 /nfs/dbraw/zinc/71/22/76/563712276.db2.gz YPVRDDJUTNTINM-NFAWXSAZSA-N 1 0 303.402 3.643 50 0 DHAARO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328527 563713737 /nfs/dbraw/zinc/71/37/37/563713737.db2.gz NBRTXUVIQLBSEA-SFHVURJKSA-N 1 0 308.425 3.846 50 0 DHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000229890511 563773384 /nfs/dbraw/zinc/77/33/84/563773384.db2.gz GZAAAPYZNNNXMH-IRXDYDNUSA-N 1 0 317.477 3.806 50 0 DHAARO Cc1cccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCO2)c1C ZINC000240662447 563776638 /nfs/dbraw/zinc/77/66/38/563776638.db2.gz PLDXCVOVIRTLIH-KRWDZBQOSA-N 1 0 318.461 3.523 50 0 DHAARO CCCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c(OC)c[nH]1 ZINC000244708052 563779391 /nfs/dbraw/zinc/77/93/91/563779391.db2.gz KMRCXAAOAUZBBZ-UHFFFAOYSA-N 1 0 318.392 3.737 50 0 DHAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000012553172 563801295 /nfs/dbraw/zinc/80/12/95/563801295.db2.gz VMZOXZLEGDCPIP-BZNIZROVSA-N 1 0 316.351 3.569 50 0 DHAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000012676637 563809078 /nfs/dbraw/zinc/80/90/78/563809078.db2.gz VTEDKHOLAQXKLU-KUHUBIRLSA-N 1 0 324.424 3.763 50 0 DHAARO COc1cc(C)c(C[NH2+][C@@H](c2ccccn2)C(C)C)cc1OC ZINC000083471037 563811763 /nfs/dbraw/zinc/81/17/63/563811763.db2.gz NUHANLCHYGFPKZ-LJQANCHMSA-N 1 0 314.429 3.894 50 0 DHAARO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000124268053 563812233 /nfs/dbraw/zinc/81/22/33/563812233.db2.gz GCYGBLKMPRUWIV-SIFCLUCFSA-N 1 0 321.424 3.913 50 0 DHAARO c1cc(-c2noc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)n2)cs1 ZINC000012739583 563818860 /nfs/dbraw/zinc/81/88/60/563818860.db2.gz LUWLQDIYACZGME-OCCSQVGLSA-N 1 0 303.431 3.953 50 0 DHAARO OCC1CC[NH+](Cc2cccc(NCc3ccsc3)c2)CC1 ZINC000084374483 563826118 /nfs/dbraw/zinc/82/61/18/563826118.db2.gz KYZIWEDGRATOED-UHFFFAOYSA-N 1 0 316.470 3.565 50 0 DHAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21)N1CCCC1 ZINC000084598323 563828164 /nfs/dbraw/zinc/82/81/64/563828164.db2.gz NNHFZAOLLIMRMH-LJQANCHMSA-N 1 0 308.425 3.599 50 0 DHAARO O=C(C[N@@H+]1CCC[C@H]1c1cccc2ccccc21)N1CCCC1 ZINC000084598321 563828507 /nfs/dbraw/zinc/82/85/07/563828507.db2.gz NNHFZAOLLIMRMH-IBGZPJMESA-N 1 0 308.425 3.599 50 0 DHAARO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000085324804 563835173 /nfs/dbraw/zinc/83/51/73/563835173.db2.gz HXWZHCWGBBQQFJ-PEBXRYMYSA-N 1 0 319.445 3.674 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@@H](C)C1 ZINC000078897270 563844194 /nfs/dbraw/zinc/84/41/94/563844194.db2.gz HAHCEVPNUPPUID-BBRMVZONSA-N 1 0 316.470 3.638 50 0 DHAARO Cc1ccc(C)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000012849910 563844363 /nfs/dbraw/zinc/84/43/63/563844363.db2.gz QGNLOMKADSIEIJ-UHFFFAOYSA-N 1 0 322.452 3.829 50 0 DHAARO OCC1CC[NH+](Cc2ccccc2NCc2cccs2)CC1 ZINC000086257952 563844787 /nfs/dbraw/zinc/84/47/87/563844787.db2.gz FFAMRYFSUJQIPJ-UHFFFAOYSA-N 1 0 316.470 3.565 50 0 DHAARO CC(C)(CO)[C@H](C[NH2+]C1Cc2ccccc2C1)c1ccccc1 ZINC000090656862 563872942 /nfs/dbraw/zinc/87/29/42/563872942.db2.gz SBMQZHDYLGKDCH-HXUWFJFHSA-N 1 0 309.453 3.546 50 0 DHAARO O[C@@H](c1ccccc1)C1(C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000090770874 563875594 /nfs/dbraw/zinc/87/55/94/563875594.db2.gz QXBYARKTSBAARM-PMACEKPBSA-N 1 0 307.437 3.647 50 0 DHAARO C[C@@H]([NH2+]C1CCC(O)CC1)c1ccc(SC(F)F)cc1 ZINC000090800401 563876105 /nfs/dbraw/zinc/87/61/05/563876105.db2.gz LZSKEKFQHXSDSE-QFWMXSHPSA-N 1 0 301.402 3.955 50 0 DHAARO Cc1cc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)ccc1C(C)C ZINC000239433964 563880216 /nfs/dbraw/zinc/88/02/16/563880216.db2.gz YUQUOARDRCHJKB-SJORKVTESA-N 1 0 305.462 3.733 50 0 DHAARO c1ccc2oc([C@@H]3CCC[N@@H+](C[C@H]4CCCCO4)C3)nc2c1 ZINC000241657654 563880718 /nfs/dbraw/zinc/88/07/18/563880718.db2.gz PYEGMPUJZVMPGR-HUUCEWRRSA-N 1 0 300.402 3.576 50 0 DHAARO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000241383095 563880772 /nfs/dbraw/zinc/88/07/72/563880772.db2.gz MSNKOFCRZPUSKV-BBWFWOEESA-N 1 0 300.446 3.834 50 0 DHAARO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000192135490 563885529 /nfs/dbraw/zinc/88/55/29/563885529.db2.gz DVGRNXNBNLRHNZ-MRXNPFEDSA-N 1 0 306.413 3.769 50 0 DHAARO Cc1c(C(=O)CN2CCc3ccccc3C2)c2ccccc2n1C ZINC000035938040 563890288 /nfs/dbraw/zinc/89/02/88/563890288.db2.gz PUSBONIESHPOHY-UHFFFAOYSA-N 1 0 318.420 3.728 50 0 DHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036100543 563893580 /nfs/dbraw/zinc/89/35/80/563893580.db2.gz PXHSZQCSFDNAIR-IBGZPJMESA-N 1 0 313.441 3.647 50 0 DHAARO Cc1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000036104463 563894362 /nfs/dbraw/zinc/89/43/62/563894362.db2.gz IFQOUFWPFDRQEI-LJQANCHMSA-N 1 0 313.441 3.645 50 0 DHAARO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(F)cc1 ZINC000036394069 563898461 /nfs/dbraw/zinc/89/84/61/563898461.db2.gz VJLMUTDKNMSNEG-UHFFFAOYSA-N 1 0 309.429 3.657 50 0 DHAARO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccccc1F ZINC000036395579 563898627 /nfs/dbraw/zinc/89/86/27/563898627.db2.gz HUKHGMSODZOBMZ-UHFFFAOYSA-N 1 0 309.429 3.657 50 0 DHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCCC2 ZINC000006992825 563900934 /nfs/dbraw/zinc/90/09/34/563900934.db2.gz DBWQJNGALZSGAX-UHFFFAOYSA-N 1 0 322.452 3.557 50 0 DHAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c1C ZINC000007001476 563901191 /nfs/dbraw/zinc/90/11/91/563901191.db2.gz JJYYMWPJODJYLK-BMGDILEWSA-N 1 0 305.462 3.520 50 0 DHAARO CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000170070860 563903658 /nfs/dbraw/zinc/90/36/58/563903658.db2.gz FEELPSFIJDRPPC-SLFFLAALSA-N 1 0 322.452 3.556 50 0 DHAARO c1cnn(-c2cccc(CNc3[nH+]ccn3-c3ccccc3)c2)c1 ZINC000170619378 563908674 /nfs/dbraw/zinc/90/86/74/563908674.db2.gz NUGRJBXXAAIVJJ-UHFFFAOYSA-N 1 0 315.380 3.670 50 0 DHAARO Cc1csc(CCC[NH2+]Cc2cc(F)cc3cccnc32)n1 ZINC000089705519 563911027 /nfs/dbraw/zinc/91/10/27/563911027.db2.gz SVKKNEHYTDCZBB-UHFFFAOYSA-N 1 0 315.417 3.861 50 0 DHAARO O=C(C[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1)N1CCC1 ZINC000089818294 563911489 /nfs/dbraw/zinc/91/14/89/563911489.db2.gz YRVDDIDNXVPRNZ-RTBURBONSA-N 1 0 318.505 3.822 50 0 DHAARO CN(C)c1ccccc1C[NH2+]Cc1cccn1Cc1ccccc1 ZINC000076020657 563911657 /nfs/dbraw/zinc/91/16/57/563911657.db2.gz RAAXGBUQDGDHIB-UHFFFAOYSA-N 1 0 319.452 3.892 50 0 DHAARO c1ccc2c(c1)SCCC[C@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000089857773 563911730 /nfs/dbraw/zinc/91/17/30/563911730.db2.gz TYGHMEATAXXEOX-QGZVFWFLSA-N 1 0 302.487 3.830 50 0 DHAARO COc1ccc([C@H](C)NCc2ccco2)cc1C[NH+]1CCCC1 ZINC000089904658 563912175 /nfs/dbraw/zinc/91/21/75/563912175.db2.gz RMAGTMVYKSHROA-HNNXBMFYSA-N 1 0 314.429 3.735 50 0 DHAARO CS[C@H]1CCC[C@H]1[N@H+](C)Cc1nnc(-c2cccs2)o1 ZINC000076146515 563912565 /nfs/dbraw/zinc/91/25/65/563912565.db2.gz RTHSADNJNWBXEE-MNOVXSKESA-N 1 0 309.460 3.514 50 0 DHAARO Brc1ccc(C2([NH2+]Cc3cccnc3)CC2)cc1 ZINC000076399654 563912756 /nfs/dbraw/zinc/91/27/56/563912756.db2.gz XGPCKUSYXRPFDA-UHFFFAOYSA-N 1 0 303.203 3.623 50 0 DHAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506507 563916830 /nfs/dbraw/zinc/91/68/30/563916830.db2.gz SFWUABOBSKXHPT-IIDMSEBBSA-N 1 0 318.436 3.752 50 0 DHAARO C[C@@H]1C[C@H](C)CN(CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000007811657 563919916 /nfs/dbraw/zinc/91/99/16/563919916.db2.gz GEYBUZJLFQNYDK-PHIMTYICSA-N 1 0 315.244 3.910 50 0 DHAARO O=C(c1ccco1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638372 563926339 /nfs/dbraw/zinc/92/63/39/563926339.db2.gz LOJONMJJVHHNAE-ZWKOTPCHSA-N 1 0 324.424 3.549 50 0 DHAARO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)c1C ZINC000225475219 563928550 /nfs/dbraw/zinc/92/85/50/563928550.db2.gz WWZPNJBXEYRSQV-BDJLRTHQSA-N 1 0 317.408 3.833 50 0 DHAARO Cc1cccc(C(C)(C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000078714951 563929989 /nfs/dbraw/zinc/92/99/89/563929989.db2.gz BZTSPLXPXJFJHW-KRWDZBQOSA-N 1 0 316.489 3.653 50 0 DHAARO COCc1cc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)ccc1F ZINC000095422706 563931331 /nfs/dbraw/zinc/93/13/31/563931331.db2.gz AHKPRDRNVIIADE-GFCCVEGCSA-N 1 0 321.367 3.971 50 0 DHAARO COc1ccccc1[C@@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC000095964892 563932699 /nfs/dbraw/zinc/93/26/99/563932699.db2.gz PBMPSMYSGJPVTD-CQSZACIVSA-N 1 0 302.443 3.758 50 0 DHAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)c1c(C)nn(C)c1C ZINC000095968715 563933103 /nfs/dbraw/zinc/93/31/03/563933103.db2.gz MGTYKPHEBLNZGX-APPDUMDISA-N 1 0 319.424 3.987 50 0 DHAARO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000095991429 563934338 /nfs/dbraw/zinc/93/43/38/563934338.db2.gz FPPSDWMBNHPRFV-XMHCIUCPSA-N 1 0 317.429 3.903 50 0 DHAARO C[C@@H]([NH2+]C1(c2cccc(F)c2)CCOCC1)c1ccccn1 ZINC000095991471 563934498 /nfs/dbraw/zinc/93/44/98/563934498.db2.gz OSACPJZEDAIHSI-CQSZACIVSA-N 1 0 300.377 3.577 50 0 DHAARO COc1ccccc1CC[C@@H]1CCCC[N@@H+]1CCCCCO ZINC000096026583 563935089 /nfs/dbraw/zinc/93/50/89/563935089.db2.gz LIKSNOBEDZSLJM-SFHVURJKSA-N 1 0 305.462 3.645 50 0 DHAARO C[C@H](C[NH+](C)C)OC(=O)CC(c1ccccc1)c1ccccc1 ZINC000096028100 563935225 /nfs/dbraw/zinc/93/52/25/563935225.db2.gz SDBFAXMWGGTQIH-MRXNPFEDSA-N 1 0 311.425 3.702 50 0 DHAARO Cc1nc(CC[NH2+]Cc2csc(-c3cccs3)n2)cs1 ZINC000096403962 563936623 /nfs/dbraw/zinc/93/66/23/563936623.db2.gz BGRSNDXAZUOLER-UHFFFAOYSA-N 1 0 321.496 3.969 50 0 DHAARO COc1ccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)cn1 ZINC000096476111 563937263 /nfs/dbraw/zinc/93/72/63/563937263.db2.gz IUMSAXUFCLOPJE-UHFFFAOYSA-N 1 0 313.788 3.582 50 0 DHAARO CCCCNC(=O)C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000096489811 563937504 /nfs/dbraw/zinc/93/75/04/563937504.db2.gz PLTPEBUBEOTMFQ-UHFFFAOYSA-N 1 0 314.429 3.561 50 0 DHAARO C[C@@H](C[N@H+](C)CCc1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000283389173 563937567 /nfs/dbraw/zinc/93/75/67/563937567.db2.gz UIAPRGHLTGUQLV-ZDUSSCGKSA-N 1 0 323.362 3.773 50 0 DHAARO COC[C@H](N[C@H](C)c1ccc(Br)o1)c1ccco1 ZINC000225575363 563938123 /nfs/dbraw/zinc/93/81/23/563938123.db2.gz IGXQGKMEMFCRFN-ZJUUUORDSA-N 1 0 314.179 3.673 50 0 DHAARO CCOP(=O)(OCC)[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000027988349 563938234 /nfs/dbraw/zinc/93/82/34/563938234.db2.gz BOKQGHLFCVACJW-WRHSUISWSA-N 1 0 301.367 3.754 50 0 DHAARO O[C@@H](C[NH2+]C1CCCCCC1)COc1cccc2ccccc21 ZINC000002624413 563939494 /nfs/dbraw/zinc/93/94/94/563939494.db2.gz BQQIGHILYUCELW-SFHVURJKSA-N 1 0 313.441 3.892 50 0 DHAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000002624420 563939605 /nfs/dbraw/zinc/93/96/05/563939605.db2.gz UBQRGLZNVLIMRZ-SFHVURJKSA-N 1 0 319.489 3.764 50 0 DHAARO C[C@H](Oc1cccnc1NCc1cncnc1)c1ccccc1 ZINC000162408773 563940908 /nfs/dbraw/zinc/94/09/08/563940908.db2.gz ZQWQZKBSQOAOCI-AWEZNQCLSA-N 1 0 306.369 3.624 50 0 DHAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(C)cc2)CC1 ZINC000003060231 563941735 /nfs/dbraw/zinc/94/17/35/563941735.db2.gz SXHPRNYDDGRIQW-OAHLLOKOSA-N 1 0 319.518 3.887 50 0 DHAARO Fc1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000057617658 563942142 /nfs/dbraw/zinc/94/21/42/563942142.db2.gz KRJFJZWDVNQAGB-UHFFFAOYSA-N 1 0 321.399 3.696 50 0 DHAARO CC(=O)NC1CCC([NH2+][C@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000132907763 563943495 /nfs/dbraw/zinc/94/34/95/563943495.db2.gz AUANMRNVDORWKB-LMWSTFAQSA-N 1 0 323.506 3.539 50 0 DHAARO Cc1ccc(N2CCC([N@@H+]3CCC[C@H](c4ncc[nH]4)C3)CC2)cc1 ZINC000670454632 563944829 /nfs/dbraw/zinc/94/48/29/563944829.db2.gz OCYYEOPNMQSOJC-KRWDZBQOSA-N 1 0 324.472 3.567 50 0 DHAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000670471168 563948555 /nfs/dbraw/zinc/94/85/55/563948555.db2.gz UFQHQBBYZNHEIP-CQSZACIVSA-N 1 0 301.821 3.697 50 0 DHAARO CCOc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008713987 563949964 /nfs/dbraw/zinc/94/99/64/563949964.db2.gz UQPLCFSKTZPBLJ-ZDUSSCGKSA-N 1 0 314.429 3.879 50 0 DHAARO CCN(CC)c1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008717363 563950132 /nfs/dbraw/zinc/95/01/32/563950132.db2.gz QUFJLXDXONWJSZ-UHFFFAOYSA-N 1 0 313.445 3.691 50 0 DHAARO Cc1cc(C)c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000245225092 563952229 /nfs/dbraw/zinc/95/22/29/563952229.db2.gz MMNODLYVTWRJBH-SJORKVTESA-N 1 0 317.477 3.996 50 0 DHAARO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000245253816 563952431 /nfs/dbraw/zinc/95/24/31/563952431.db2.gz GOJANQILHWLMMS-CADBVGFASA-N 1 0 311.510 3.557 50 0 DHAARO C[N@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000245339447 563952706 /nfs/dbraw/zinc/95/27/06/563952706.db2.gz SXCQNQHUJDUUMR-BRWVUGGUSA-N 1 0 312.413 3.587 50 0 DHAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cc(F)cc3cccnc32)c1 ZINC000069570750 563953564 /nfs/dbraw/zinc/95/35/64/563953564.db2.gz QTBNBDHRUMGYAG-KGLIPLIRSA-N 1 0 312.392 3.618 50 0 DHAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cc(F)cc3cccnc32)c1 ZINC000069570754 563953610 /nfs/dbraw/zinc/95/36/10/563953610.db2.gz QTBNBDHRUMGYAG-UONOGXRCSA-N 1 0 312.392 3.618 50 0 DHAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cc(-c3cccs3)on2)c1 ZINC000069652046 563953992 /nfs/dbraw/zinc/95/39/92/563953992.db2.gz DIRLBZVDSBBGDA-CHWSQXEVSA-N 1 0 316.430 3.647 50 0 DHAARO CC(C)OCCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000009834721 563957831 /nfs/dbraw/zinc/95/78/31/563957831.db2.gz LCYOQHSOCPVHOY-UHFFFAOYSA-N 1 0 307.825 3.635 50 0 DHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc2ccccc2s1 ZINC000009917352 563958011 /nfs/dbraw/zinc/95/80/11/563958011.db2.gz NRSQDWWYUUEFNV-UHFFFAOYSA-N 1 0 324.449 3.893 50 0 DHAARO COc1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc1OC ZINC000071837149 563958961 /nfs/dbraw/zinc/95/89/61/563958961.db2.gz OYPLUFLQFPQECS-INIZCTEOSA-N 1 0 301.361 3.620 50 0 DHAARO c1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000078394267 563960997 /nfs/dbraw/zinc/96/09/97/563960997.db2.gz SGVVTJJNGRCGSU-IBGZPJMESA-N 1 0 322.456 3.634 50 0 DHAARO c1ccc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000534333364 563961639 /nfs/dbraw/zinc/96/16/39/563961639.db2.gz JHDSGSPBPZFQNP-HXUWFJFHSA-N 1 0 304.393 3.808 50 0 DHAARO CSc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000025777981 568412803 /nfs/dbraw/zinc/41/28/03/568412803.db2.gz FURXOGADYLAVMC-ZDUSSCGKSA-N 1 0 320.483 3.503 50 0 DHAARO Fc1ccc(COCC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000000014958 568413289 /nfs/dbraw/zinc/41/32/89/568413289.db2.gz QKJJATCVDNNOIX-UHFFFAOYSA-N 1 0 314.404 3.650 50 0 DHAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)cc1 ZINC000014094763 568414743 /nfs/dbraw/zinc/41/47/43/568414743.db2.gz BFFJZSRLFHNXLZ-ZIAGYGMSSA-N 1 0 300.377 3.812 50 0 DHAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)cc1 ZINC000014094761 568414745 /nfs/dbraw/zinc/41/47/45/568414745.db2.gz BFFJZSRLFHNXLZ-UONOGXRCSA-N 1 0 300.377 3.812 50 0 DHAARO C[C@H](NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc2ccccc2o1 ZINC000007444949 568419558 /nfs/dbraw/zinc/41/95/58/568419558.db2.gz GOERPSNRBVKGSI-KFWWJZLASA-N 1 0 314.429 3.588 50 0 DHAARO COC(=O)c1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000007456796 568419627 /nfs/dbraw/zinc/41/96/27/568419627.db2.gz FRIAHPIPCJTPCE-UHFFFAOYSA-N 1 0 307.393 3.763 50 0 DHAARO CC(C)(C)[C@H](NC(=O)c1ccn2c[nH+]cc2c1)c1ccccc1 ZINC000089621628 568420294 /nfs/dbraw/zinc/42/02/94/568420294.db2.gz VKUNYDPECUSIBY-QGZVFWFLSA-N 1 0 307.397 3.852 50 0 DHAARO CO[C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000077705911 1013063901 /nfs/dbraw/zinc/06/39/01/1013063901.db2.gz YGBGEVBNPCFZEB-LJQANCHMSA-N 1 0 324.424 3.609 50 0 DHAARO C/C(=C/C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000078932258 1013833620 /nfs/dbraw/zinc/83/36/20/1013833620.db2.gz OTUODBKAETVYOR-PEZBUJJGSA-N 1 0 314.473 3.543 50 0 DHAARO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 ZINC000192915129 1032513431 /nfs/dbraw/zinc/51/34/31/1032513431.db2.gz OLTSSIOJTGJKFO-ZDUSSCGKSA-N 1 0 308.381 3.790 50 0 DHAARO Cc1ccc([C@@H](C)CC[NH2+]Cc2ccc3nsnc3c2)o1 ZINC000952861023 1032664698 /nfs/dbraw/zinc/66/46/98/1032664698.db2.gz BKRVKOOJEWLWIT-NSHDSACASA-N 1 0 301.415 3.876 50 0 DHAARO Fc1ccc(C2=CC[N@@H+](C3CSCCSC3)CC2)cc1 ZINC000952863549 1032665826 /nfs/dbraw/zinc/66/58/26/1032665826.db2.gz UNONYLIGAWFJIS-UHFFFAOYSA-N 1 0 309.475 3.763 50 0 DHAARO c1ccc2c(c1)CC[C@@H]([NH2+]CCOc1cccc3cccnc31)C2 ZINC000952869336 1032667348 /nfs/dbraw/zinc/66/73/48/1032667348.db2.gz HMHBHMFORJQUDS-LJQANCHMSA-N 1 0 318.420 3.761 50 0 DHAARO CCc1ncnc(NCCC2CC[NH+](C3CCCC3)CC2)c1F ZINC000952964128 1032672388 /nfs/dbraw/zinc/67/23/88/1032672388.db2.gz BJQWDHVWHLWSGO-UHFFFAOYSA-N 1 0 320.456 3.635 50 0 DHAARO Cc1[nH]c2ccccc2c1CC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000952867823 1032670825 /nfs/dbraw/zinc/67/08/25/1032670825.db2.gz SGAUPIPNUGVCMD-KRWDZBQOSA-N 1 0 319.452 3.887 50 0 DHAARO COc1ccc([C@@H]2C[C@H](n3ccnc3)ON2c2ccccc2)cc1 ZINC000039414197 1018617371 /nfs/dbraw/zinc/61/73/71/1018617371.db2.gz AFTAGWUIMKVNOV-RBUKOAKNSA-N 1 0 321.380 3.974 50 0 DHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2)cc1 ZINC000196099849 1018925253 /nfs/dbraw/zinc/92/52/53/1018925253.db2.gz LSIYVDOERTWEAR-KRWDZBQOSA-N 1 0 324.468 3.889 50 0 DHAARO Cc1ccc(Oc2ncccc2C[NH2+]Cc2ccsc2)cn1 ZINC000011667332 1019018272 /nfs/dbraw/zinc/01/82/72/1019018272.db2.gz ISKDTDREDOYHFH-UHFFFAOYSA-N 1 0 311.410 3.929 50 0 DHAARO c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000011816819 1019259030 /nfs/dbraw/zinc/25/90/30/1019259030.db2.gz RSHSTOPJEORJTB-MRXNPFEDSA-N 1 0 324.453 3.768 50 0 DHAARO CC(C)Cc1ccc(C[N@H+]2Cc3ccccc3[C@@H](O)C2)s1 ZINC000821459963 1020251317 /nfs/dbraw/zinc/25/13/17/1020251317.db2.gz SDKZCEYOIQVUOA-SFHVURJKSA-N 1 0 301.455 3.996 50 0 DHAARO C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1cccc(O)c1 ZINC000253433487 1020378210 /nfs/dbraw/zinc/37/82/10/1020378210.db2.gz XOFYQZRSPTUNOH-AWEZNQCLSA-N 1 0 316.470 3.769 50 0 DHAARO COc1cccc([C@H]2CC[N@H+](Cc3ccc(Cl)o3)C2)c1OC ZINC000824521393 1020574201 /nfs/dbraw/zinc/57/42/01/1020574201.db2.gz SZVCRXFOQJTYED-LBPRGKRZSA-N 1 0 321.804 3.940 50 0 DHAARO O=C(CCC1CC[NH+](Cc2ccccc2Cl)CC1)NC1CC1 ZINC000012458972 1020615686 /nfs/dbraw/zinc/61/56/86/1020615686.db2.gz DLHANEPQCKBCFI-UHFFFAOYSA-N 1 0 320.864 3.611 50 0 DHAARO Cc1ccccc1CN1CC[C@@H]([NH+]2CCC(C)CC2)CCC1=O ZINC000012456695 1020615835 /nfs/dbraw/zinc/61/58/35/1020615835.db2.gz IYJMILOJPKHHEQ-IBGZPJMESA-N 1 0 314.473 3.608 50 0 DHAARO O=C(CCC(F)(F)F)NCC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000827814649 1020796948 /nfs/dbraw/zinc/79/69/48/1020796948.db2.gz QWBLUFVYLQHTPZ-AWEZNQCLSA-N 1 0 320.399 3.632 50 0 DHAARO CN(Cc1cccc2ccccc21)C(=O)C[NH+]1CCCCCC1 ZINC000827883901 1020801105 /nfs/dbraw/zinc/80/11/05/1020801105.db2.gz ATWUMVGADMAUOO-UHFFFAOYSA-N 1 0 310.441 3.674 50 0 DHAARO Cc1cnc(C2C[NH+](C3CCCCCC3)C2)n1Cc1cccnc1 ZINC000575553738 1020977229 /nfs/dbraw/zinc/97/72/29/1020977229.db2.gz GOFQBNVKAOZBPA-UHFFFAOYSA-N 1 0 324.472 3.757 50 0 DHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000003682116 1021246804 /nfs/dbraw/zinc/24/68/04/1021246804.db2.gz BSPMSTCAXPQQMY-HKUYNNGSSA-N 1 0 316.489 3.761 50 0 DHAARO Cc1nc([C@H]2CC23CC[NH+](Cc2cccc(Cl)c2)CC3)no1 ZINC000257184597 1022227510 /nfs/dbraw/zinc/22/75/10/1022227510.db2.gz ISNIGGPMJGKHRC-OAHLLOKOSA-N 1 0 317.820 3.801 50 0 DHAARO CC(C)(C)c1ccc(OCCn2c(N)[nH+]c3ccccc32)cc1 ZINC000002819340 1023296585 /nfs/dbraw/zinc/29/65/85/1023296585.db2.gz AXKQZDFCPUQKMF-UHFFFAOYSA-N 1 0 309.413 3.995 50 0 DHAARO CCOc1cccc2cc([C@@H](C)[NH2+]C3CCN(OC)CC3)oc21 ZINC000421877407 1023480552 /nfs/dbraw/zinc/48/05/52/1023480552.db2.gz LSYWBPUCBFNSAK-CYBMUJFWSA-N 1 0 318.417 3.508 50 0 DHAARO Clc1c2ccccc2sc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044687552 1023502894 /nfs/dbraw/zinc/50/28/94/1023502894.db2.gz ZXCODEHKCNNVPY-NSHDSACASA-N 1 0 306.862 3.881 50 0 DHAARO c1ccc(Cc2noc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000046054560 1023658681 /nfs/dbraw/zinc/65/86/81/1023658681.db2.gz UXIXVELMXUZARP-IRXDYDNUSA-N 1 0 311.429 3.815 50 0 DHAARO Cn1ccnc1CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000215984274 1024528554 /nfs/dbraw/zinc/52/85/54/1024528554.db2.gz AFRSHLGMSRCEFT-UHFFFAOYSA-N 1 0 311.351 3.504 50 0 DHAARO Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3ccnn3C)cc2c1 ZINC000928995862 1024651536 /nfs/dbraw/zinc/65/15/36/1024651536.db2.gz KJDVHCOUCSMQES-LJQANCHMSA-N 1 0 306.413 3.614 50 0 DHAARO Oc1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000621436174 1024802793 /nfs/dbraw/zinc/80/27/93/1024802793.db2.gz NGYJTGSSRUQENM-WOJBJXKFSA-N 1 0 314.473 3.621 50 0 DHAARO Fc1ccc(N2CCCN(Cc3ccc(Cl)o3)CC2)cc1 ZINC000215067955 1025083923 /nfs/dbraw/zinc/08/39/23/1025083923.db2.gz KYWMDMNHYPYLQI-UHFFFAOYSA-N 1 0 308.784 3.784 50 0 DHAARO COc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cn1 ZINC000126416819 1025449211 /nfs/dbraw/zinc/44/92/11/1025449211.db2.gz DWZSGAHJFSEMNK-HNNXBMFYSA-N 1 0 316.376 3.621 50 0 DHAARO OCc1cccc(C[NH2+]Cc2ccccc2OC2CCCC2)c1 ZINC000237986214 1025476188 /nfs/dbraw/zinc/47/61/88/1025476188.db2.gz DTMFVQGTWBRTIM-UHFFFAOYSA-N 1 0 311.425 3.790 50 0 DHAARO Cc1cc(C(=O)O[C@@H]2CC[N@@H+](C)C2)sc1-c1ccc(F)cc1 ZINC000239672638 1025528369 /nfs/dbraw/zinc/52/83/69/1025528369.db2.gz BUIVIHTVZHTKID-CQSZACIVSA-N 1 0 319.401 3.724 50 0 DHAARO Cc1cc(C)c(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)c(C)c1 ZINC000079921022 1027011057 /nfs/dbraw/zinc/01/10/57/1027011057.db2.gz GQGJHWHDAIGELF-UHFFFAOYSA-N 1 0 320.440 3.729 50 0 DHAARO Cc1ccc(-c2ncc(C[NH2+]C3(C)CCOCC3)s2)cc1 ZINC000131128748 1028500116 /nfs/dbraw/zinc/50/01/16/1028500116.db2.gz UUYXXCJJRAESQA-UHFFFAOYSA-N 1 0 302.443 3.777 50 0 DHAARO Cc1cnccc1CC[NH2+]Cc1cc(F)c(Cl)nc1Cl ZINC000585116566 1029772125 /nfs/dbraw/zinc/77/21/25/1029772125.db2.gz BAMSNKCXEOFMLX-UHFFFAOYSA-N 1 0 314.191 3.563 50 0 DHAARO Cn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CCCC[C@H]2[NH3+] ZINC000629722181 1031064210 /nfs/dbraw/zinc/06/42/10/1031064210.db2.gz LWJIJJNAQDPNCO-CYBMUJFWSA-N 1 0 309.335 3.832 50 0 DHAARO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cn1 ZINC000126417040 1031647303 /nfs/dbraw/zinc/64/73/03/1031647303.db2.gz DWZSGAHJFSEMNK-OAHLLOKOSA-N 1 0 316.376 3.621 50 0 DHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000098052833 1034141811 /nfs/dbraw/zinc/14/18/11/1034141811.db2.gz KHGINXKUQOGREB-MRECJMOMSA-N 1 0 314.473 3.573 50 0 DHAARO CCCC[NH+]1CCC(F)(c2nc(-c3ccccc3)no2)CC1 ZINC000257178540 1040750278 /nfs/dbraw/zinc/75/02/78/1040750278.db2.gz BVOOULQDYVWPRW-UHFFFAOYSA-N 1 0 303.381 3.797 50 0 DHAARO CC(C)(C)[S@@](=O)CC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000089694426 1041065195 /nfs/dbraw/zinc/06/51/95/1041065195.db2.gz DPQOLIFDGCBXSD-OAQYLSRUSA-N 1 0 324.877 3.525 50 0 DHAARO COc1cccc(C2(C[NH2+][C@@H](C)c3nnc(C)o3)CCCC2)c1 ZINC000079030782 185147549 /nfs/dbraw/zinc/14/75/49/185147549.db2.gz OOQVGQTUHQDHRC-ZDUSSCGKSA-N 1 0 315.417 3.549 50 0 DHAARO O[C@@H](C[N@H+](Cc1ccccc1)Cc1cccnc1)c1cccs1 ZINC000088616466 185260057 /nfs/dbraw/zinc/26/00/57/185260057.db2.gz FKDLMSJRUJCTBO-SFHVURJKSA-N 1 0 324.449 3.879 50 0 DHAARO CSC1(C[NH2+][C@@H](C)c2cc3ccccc3o2)CCOCC1 ZINC000090113114 185282686 /nfs/dbraw/zinc/28/26/86/185282686.db2.gz SSCYXXBXNPWKLU-ZDUSSCGKSA-N 1 0 305.443 3.996 50 0 DHAARO C[NH+](C)[C@H]1CCCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000082125791 192359768 /nfs/dbraw/zinc/35/97/68/192359768.db2.gz VKMPMJVMUAYGBV-NSHDSACASA-N 1 0 315.244 3.550 50 0 DHAARO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCCC1)c1ccccc1 ZINC000095404422 185355325 /nfs/dbraw/zinc/35/53/25/185355325.db2.gz JZUWJAHQMDUHSO-JYJNAYRXSA-N 1 0 302.462 3.811 50 0 DHAARO C[C@H]([NH2+]C1CCOCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000095420270 185360249 /nfs/dbraw/zinc/36/02/49/185360249.db2.gz IJNAMFYJFOFPCF-HNNXBMFYSA-N 1 0 324.424 3.769 50 0 DHAARO Cc1nccn1CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095420536 185360273 /nfs/dbraw/zinc/36/02/73/185360273.db2.gz FPTSUFUMLOAPIM-QGZVFWFLSA-N 1 0 311.429 3.618 50 0 DHAARO COCCNc1ccc(C[NH2+][C@H](C)c2sccc2C)cc1 ZINC000095421903 185360701 /nfs/dbraw/zinc/36/07/01/185360701.db2.gz LIOIWZDEPSOJHE-CQSZACIVSA-N 1 0 304.459 3.966 50 0 DHAARO CCc1cnc(C[N@H+](C2CCC(C)CC2)C2CCC(O)CC2)o1 ZINC000097010900 185396839 /nfs/dbraw/zinc/39/68/39/185396839.db2.gz YIJVAQHLWZFEQE-UHFFFAOYSA-N 1 0 320.477 3.921 50 0 DHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2nc(C)cs2)c1 ZINC000095421634 185360938 /nfs/dbraw/zinc/36/09/38/185360938.db2.gz YBEFDFNNPBNWRA-CYBMUJFWSA-N 1 0 317.458 3.693 50 0 DHAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cncn3)c2)cc1 ZINC000095423553 185361107 /nfs/dbraw/zinc/36/11/07/185361107.db2.gz SVUWTKHIJQWCLK-CABCVRRESA-N 1 0 322.412 3.688 50 0 DHAARO CCCC[C@H](CC)CC[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000095445333 185367323 /nfs/dbraw/zinc/36/73/23/185367323.db2.gz KUMXUKUEQLTAQY-IRXDYDNUSA-N 1 0 304.482 3.642 50 0 DHAARO CC(C)c1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cs1 ZINC000095437455 185365574 /nfs/dbraw/zinc/36/55/74/185365574.db2.gz IPPWJIGSPWLOAK-ZNMIVQPWSA-N 1 0 306.475 3.704 50 0 DHAARO C[C@@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CCn1cccn1 ZINC000095459794 185370744 /nfs/dbraw/zinc/37/07/44/185370744.db2.gz NPHSGKBUVYNAEZ-INIZCTEOSA-N 1 0 306.413 3.638 50 0 DHAARO C[C@@H]([NH2+]CC1(O)CCSCC1)c1ccc(-c2ccccc2)o1 ZINC000097017004 185397471 /nfs/dbraw/zinc/39/74/71/185397471.db2.gz HTWPGQWWNUWNOE-CQSZACIVSA-N 1 0 317.454 3.855 50 0 DHAARO c1ccc(COC[C@@H]([NH2+]C2CCOCC2)c2ccccc2)cc1 ZINC000097017057 185397590 /nfs/dbraw/zinc/39/75/90/185397590.db2.gz WNBVFLVGCFCHKF-HXUWFJFHSA-N 1 0 311.425 3.713 50 0 DHAARO CCc1ccccc1NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000097020515 185398354 /nfs/dbraw/zinc/39/83/54/185398354.db2.gz ADQPHQZCZHHBLM-QGZVFWFLSA-N 1 0 317.477 3.881 50 0 DHAARO CC[NH+](CC)CCCSc1nc2ccccc2n1CCOC ZINC000170605479 197787428 /nfs/dbraw/zinc/78/74/28/197787428.db2.gz SOWJDCHQUYTWAT-UHFFFAOYSA-N 1 0 321.490 3.507 50 0 DHAARO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000084023569 192396507 /nfs/dbraw/zinc/39/65/07/192396507.db2.gz FMYASFLGCREJNK-SECBINFHSA-N 1 0 309.207 3.905 50 0 DHAARO Cc1nc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)co1 ZINC000071748817 191021121 /nfs/dbraw/zinc/02/11/21/191021121.db2.gz GLVFHOQGWVEJBU-MRXNPFEDSA-N 1 0 302.393 3.967 50 0 DHAARO c1ccc(-c2cccc(C[NH+]3CC(c4cccnc4)C3)c2)nc1 ZINC000072146413 191053818 /nfs/dbraw/zinc/05/38/18/191053818.db2.gz QUUOJKGBFMSANX-UHFFFAOYSA-N 1 0 301.393 3.743 50 0 DHAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)n1 ZINC000072143104 191048765 /nfs/dbraw/zinc/04/87/65/191048765.db2.gz YBBFKSJVQGCANT-KRWDZBQOSA-N 1 0 322.412 3.602 50 0 DHAARO COc1ccc(C(C)C)cc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000072168618 191068351 /nfs/dbraw/zinc/06/83/51/191068351.db2.gz CODKUZXTCOSLIY-SFHVURJKSA-N 1 0 304.478 3.735 50 0 DHAARO COc1ccc(C(C)C)cc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000072168619 191068797 /nfs/dbraw/zinc/06/87/97/191068797.db2.gz CODKUZXTCOSLIY-GOSISDBHSA-N 1 0 304.478 3.735 50 0 DHAARO C[NH+](C)CC[C@H]1CCCCN1Cc1c(Cl)cncc1Cl ZINC000072428626 191161964 /nfs/dbraw/zinc/16/19/64/191161964.db2.gz MQFBBVUIHFJFFS-GFCCVEGCSA-N 1 0 316.276 3.695 50 0 DHAARO Cc1nc(CN(C)CC2([NH+]3CCCCC3)CCCCC2)co1 ZINC000072432750 191164009 /nfs/dbraw/zinc/16/40/09/191164009.db2.gz XOWHZFRMECVSEU-UHFFFAOYSA-N 1 0 305.466 3.604 50 0 DHAARO CCc1nc2c3ccccc3oc2c(OCC[NH+](CC)CC)n1 ZINC000002353174 180920406 /nfs/dbraw/zinc/92/04/06/180920406.db2.gz TUQVFXJNYYHEKJ-UHFFFAOYSA-N 1 0 313.401 3.659 50 0 DHAARO Cc1cccc(OCCOCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000002822232 180961086 /nfs/dbraw/zinc/96/10/86/180961086.db2.gz RVGDAKXKLNSVBC-HZPDHXFCSA-N 1 0 305.462 3.677 50 0 DHAARO CC[C@@H](C)[NH2+]CCCOc1ccc(Br)cc1C ZINC000002825527 180961936 /nfs/dbraw/zinc/96/19/36/180961936.db2.gz AVVRQVGHNHCGSU-GFCCVEGCSA-N 1 0 300.240 3.915 50 0 DHAARO CC[NH+](CC)CCCCOc1ccccc1Br ZINC000002885633 180967666 /nfs/dbraw/zinc/96/76/66/180967666.db2.gz KMRDXRSZSMXZHY-UHFFFAOYSA-N 1 0 300.240 3.950 50 0 DHAARO CCOc1ccccc1NC(=O)[C@H]([NH2+]C(C)C)c1ccccc1 ZINC000003414793 181016772 /nfs/dbraw/zinc/01/67/72/181016772.db2.gz LVGGMEWBHPEMRF-GOSISDBHSA-N 1 0 312.413 3.763 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[N@H+]2CCCC[C@@H]2C)c2ccc(C)cc12 ZINC000004169096 181081174 /nfs/dbraw/zinc/08/11/74/181081174.db2.gz VTDUMFHAAHMNGU-MAUKXSAKSA-N 1 0 314.473 3.802 50 0 DHAARO CCCCN(C)C(=O)C1CC[NH+](Cc2sccc2C)CC1 ZINC000004552784 181124170 /nfs/dbraw/zinc/12/41/70/181124170.db2.gz DLCKEXGLKHLDTE-UHFFFAOYSA-N 1 0 308.491 3.527 50 0 DHAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000004636507 181131019 /nfs/dbraw/zinc/13/10/19/181131019.db2.gz BMOFTTIOWDJAIU-UHFFFAOYSA-N 1 0 319.518 3.805 50 0 DHAARO c1ccc(COC(CN2CCCCC2)C[NH+]2CCCCC2)cc1 ZINC000004832887 181158636 /nfs/dbraw/zinc/15/86/36/181158636.db2.gz RRXQYXZOUWQYKR-UHFFFAOYSA-N 1 0 316.489 3.544 50 0 DHAARO COc1cccc(C=O)c1OCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004842391 181161218 /nfs/dbraw/zinc/16/12/18/181161218.db2.gz AKJFEVXBGULWHZ-HOTGVXAUSA-N 1 0 319.445 3.645 50 0 DHAARO COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC ZINC000004989482 181185800 /nfs/dbraw/zinc/18/58/00/181185800.db2.gz OOFVJCWWVAVJBS-UHFFFAOYSA-N 1 0 301.430 3.618 50 0 DHAARO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000005662424 181268499 /nfs/dbraw/zinc/26/84/99/181268499.db2.gz HYXVWFAQGNRRNG-NSHDSACASA-N 1 0 300.324 3.518 50 0 DHAARO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000005696610 181273633 /nfs/dbraw/zinc/27/36/33/181273633.db2.gz HYXVWFAQGNRRNG-LLVKDONJSA-N 1 0 300.324 3.518 50 0 DHAARO CC[N@H+](C[C@@H](O)COc1ccc(C)cc1C)C1CCCCC1 ZINC000005795069 181285148 /nfs/dbraw/zinc/28/51/48/181285148.db2.gz WWLBHPQCRBGOFL-GOSISDBHSA-N 1 0 305.462 3.698 50 0 DHAARO CC[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000236909695 202066837 /nfs/dbraw/zinc/06/68/37/202066837.db2.gz VTCYOYGSVAYASX-IAGOWNOFSA-N 1 0 316.832 3.997 50 0 DHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000237378512 202248169 /nfs/dbraw/zinc/24/81/69/202248169.db2.gz WNPSUPQBGBONHO-MNOVXSKESA-N 1 0 322.861 3.754 50 0 DHAARO Cc1ccccc1Cn1nc(C[NH2+]C2CC2)c(-c2ccccc2)n1 ZINC000248149029 202723941 /nfs/dbraw/zinc/72/39/41/202723941.db2.gz IWQRBUREXFADOS-UHFFFAOYSA-N 1 0 318.424 3.554 50 0 DHAARO c1nc(-c2cccc(C[NH2+][C@H](c3ccccc3)C3CC3)c2)n[nH]1 ZINC000091374789 193048007 /nfs/dbraw/zinc/04/80/07/193048007.db2.gz KFORDNLSQFPQSQ-GOSISDBHSA-N 1 0 304.397 3.713 50 0 DHAARO CC(C)=CC[NH+]1CCC(c2nccn2Cc2cscn2)CC1 ZINC000091585895 193075741 /nfs/dbraw/zinc/07/57/41/193075741.db2.gz QTWYYOLWKKKJRP-UHFFFAOYSA-N 1 0 316.474 3.534 50 0 DHAARO CC[C@@]1(CO)CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000091664146 193087064 /nfs/dbraw/zinc/08/70/64/193087064.db2.gz GJAKZPBGCUWDDH-GOSISDBHSA-N 1 0 316.470 3.795 50 0 DHAARO Cc1ccc(C[N@@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)s1 ZINC000091745880 193099940 /nfs/dbraw/zinc/09/99/40/193099940.db2.gz PXEZEKYAXLVEDO-INIZCTEOSA-N 1 0 301.455 3.613 50 0 DHAARO Cc1ccc(Cn2cc(-c3ccc([C@H](C)[NH+](C)C)cc3)nn2)cc1 ZINC000092038614 193146192 /nfs/dbraw/zinc/14/61/92/193146192.db2.gz MRGGWJCQUFDSAW-INIZCTEOSA-N 1 0 320.440 3.924 50 0 DHAARO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000222275565 201605757 /nfs/dbraw/zinc/60/57/57/201605757.db2.gz CDILGGYSDIBFRO-DOTOQJQBSA-N 1 0 302.462 3.671 50 0 DHAARO Cc1csc(C(=O)NC2CC[NH+](CC(C)C)CC2)c1Cl ZINC000252505076 202857535 /nfs/dbraw/zinc/85/75/35/202857535.db2.gz VNTZYYCRQKUVIQ-UHFFFAOYSA-N 1 0 314.882 3.560 50 0 DHAARO COc1ccccc1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000094014816 193338652 /nfs/dbraw/zinc/33/86/52/193338652.db2.gz JEQOHNSLOPOXLA-UHFFFAOYSA-N 1 0 310.441 3.946 50 0 DHAARO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)o1 ZINC000012984645 181818182 /nfs/dbraw/zinc/81/81/82/181818182.db2.gz ZKBQAKBUXDFJJF-UHFFFAOYSA-N 1 0 304.434 3.507 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+]C2CCCCC2)c2ccccc12 ZINC000013424520 181849109 /nfs/dbraw/zinc/84/91/09/181849109.db2.gz IWDNSXNDZVLOIC-QGZVFWFLSA-N 1 0 300.446 3.541 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1O ZINC000015837191 182020186 /nfs/dbraw/zinc/02/01/86/182020186.db2.gz WTHNYICECZBSEB-INIZCTEOSA-N 1 0 301.361 3.877 50 0 DHAARO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860008 182021549 /nfs/dbraw/zinc/02/15/49/182021549.db2.gz GSVAVLALCYHGIF-KRWDZBQOSA-N 1 0 312.413 3.545 50 0 DHAARO Cc1ccc(NC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000015861039 182022580 /nfs/dbraw/zinc/02/25/80/182022580.db2.gz PWRNMAITSDJQRL-UHFFFAOYSA-N 1 0 324.399 3.905 50 0 DHAARO Cc1ccc(COC[C@H](O)C[NH+]2C(C)(C)CCCC2(C)C)cc1 ZINC000016578425 182050077 /nfs/dbraw/zinc/05/00/77/182050077.db2.gz LHWVNJNWPAHPMY-GOSISDBHSA-N 1 0 319.489 3.916 50 0 DHAARO CCOc1ccc(CN2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019359647 182119100 /nfs/dbraw/zinc/11/91/00/182119100.db2.gz FMLQOWWDZWZWGK-UHFFFAOYSA-N 1 0 316.489 3.926 50 0 DHAARO C[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019362735 182119267 /nfs/dbraw/zinc/11/92/67/182119267.db2.gz WFNAKBGANONZEQ-GOSISDBHSA-N 1 0 300.833 3.677 50 0 fda DHAARO Clc1ccc(CNCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000019370426 182119723 /nfs/dbraw/zinc/11/97/23/182119723.db2.gz CYMQHJTXFPRIMG-UHFFFAOYSA-N 1 0 309.240 3.873 50 0 DHAARO Clc1ccccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019537266 182129713 /nfs/dbraw/zinc/12/97/13/182129713.db2.gz WTZJIGQVLLLBAZ-UHFFFAOYSA-N 1 0 300.833 3.658 50 0 DHAARO C[N@H+](CCc1ccccn1)Cc1ccccc1Br ZINC000019606655 182132812 /nfs/dbraw/zinc/13/28/12/182132812.db2.gz CMZTYWYSNXZRLS-UHFFFAOYSA-N 1 0 305.219 3.519 50 0 DHAARO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)c1ccccc1 ZINC000019609106 182133576 /nfs/dbraw/zinc/13/35/76/182133576.db2.gz ZDBSNVWWJUNUKN-INIZCTEOSA-N 1 0 320.230 3.615 50 0 DHAARO C[C@H](CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019634474 182134430 /nfs/dbraw/zinc/13/44/30/182134430.db2.gz NMGYYUQHEIXWFP-LJQANCHMSA-N 1 0 308.469 3.998 50 0 DHAARO C[C@@H](CCc1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019636505 182134688 /nfs/dbraw/zinc/13/46/88/182134688.db2.gz IUZWDIZPXUMNAD-IBGZPJMESA-N 1 0 308.469 3.826 50 0 DHAARO CCOc1ccc(CN2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000019842310 182155766 /nfs/dbraw/zinc/15/57/66/182155766.db2.gz JKXYVTUCLOSGAX-UHFFFAOYSA-N 1 0 316.489 3.782 50 0 DHAARO Cc1cccc(CN2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000019789212 182148752 /nfs/dbraw/zinc/14/87/52/182148752.db2.gz YDJKHTVCSPDZAO-UHFFFAOYSA-N 1 0 308.469 3.745 50 0 DHAARO Clc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1Cl ZINC000019850789 182157062 /nfs/dbraw/zinc/15/70/62/182157062.db2.gz AFLCHFBMURFMJS-KRWDZBQOSA-N 1 0 321.251 3.988 50 0 DHAARO CCOc1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000020177106 182194634 /nfs/dbraw/zinc/19/46/34/182194634.db2.gz GMPNZHCBJOEYMZ-MRXNPFEDSA-N 1 0 305.805 3.562 50 0 DHAARO CCc1ccc2oc(=O)cc(C[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000020213267 182198167 /nfs/dbraw/zinc/19/81/67/182198167.db2.gz NNFKZZXEFMKKLV-UHFFFAOYSA-N 1 0 319.404 3.914 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1OC ZINC000021720630 182285769 /nfs/dbraw/zinc/28/57/69/182285769.db2.gz PUNCOYLVPBATNF-HNNXBMFYSA-N 1 0 316.401 3.646 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)c(OC)c1 ZINC000021720247 182286362 /nfs/dbraw/zinc/28/63/62/182286362.db2.gz ORXSOHLXXWHTOA-INIZCTEOSA-N 1 0 316.401 3.646 50 0 DHAARO Cc1ccc2c(C[N@@H+]3CCc4ccccc4C3)cc(=O)oc2c1C ZINC000021821799 182294171 /nfs/dbraw/zinc/29/41/71/182294171.db2.gz JKCQBBHHMYPVBW-UHFFFAOYSA-N 1 0 319.404 3.968 50 0 DHAARO CC(C)(C)OC(=O)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000022050359 182306336 /nfs/dbraw/zinc/30/63/36/182306336.db2.gz IWDFFHIOVOXFOW-DLBZAZTESA-N 1 0 316.445 3.518 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccoc1)c1ccccc1Cl ZINC000022681876 182330334 /nfs/dbraw/zinc/33/03/34/182330334.db2.gz GKNRJLUYECNCCB-INIZCTEOSA-N 1 0 320.820 3.746 50 0 DHAARO COc1ccc(C[N@H+](C)Cc2cccc3cccnc32)c(OC)c1 ZINC000022515303 182324370 /nfs/dbraw/zinc/32/43/70/182324370.db2.gz VDFGFWDTJXQQMY-UHFFFAOYSA-N 1 0 322.408 3.884 50 0 DHAARO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccc(F)cc2)cc1 ZINC000023282877 182355328 /nfs/dbraw/zinc/35/53/28/182355328.db2.gz WGTFKXBTXJROHP-OAHLLOKOSA-N 1 0 301.405 3.988 50 0 DHAARO C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)c1ccccc1 ZINC000023280603 182355568 /nfs/dbraw/zinc/35/55/68/182355568.db2.gz WPPWVYGBQHNTDV-INIZCTEOSA-N 1 0 320.230 3.615 50 0 DHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000023282303 182355638 /nfs/dbraw/zinc/35/56/38/182355638.db2.gz JRFFUAKPYKWFKB-FQEVSTJZSA-N 1 0 306.453 3.675 50 0 DHAARO Cc1cc(C)cc(C(=O)NCC2CC[NH+](C3CCCC3)CC2)c1 ZINC000023127963 182349117 /nfs/dbraw/zinc/34/91/17/182349117.db2.gz LEFZYRVBSQZIBJ-UHFFFAOYSA-N 1 0 314.473 3.688 50 0 DHAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000023127947 182349358 /nfs/dbraw/zinc/34/93/58/182349358.db2.gz HUKJCHKEVPZUBP-UHFFFAOYSA-N 1 0 320.864 3.724 50 0 DHAARO Cc1ccnn1CCC[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000023398977 182359704 /nfs/dbraw/zinc/35/97/04/182359704.db2.gz HVYVSHOPSYCDOL-UHFFFAOYSA-N 1 0 307.441 3.642 50 0 DHAARO COc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc2c1OCO2 ZINC000023634127 182364881 /nfs/dbraw/zinc/36/48/81/182364881.db2.gz GOJKMPZMFKRKDC-MRXNPFEDSA-N 1 0 311.381 3.591 50 0 DHAARO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c2cccnc12 ZINC000024679743 182387089 /nfs/dbraw/zinc/38/70/89/182387089.db2.gz GWSVXUBKCBDVLH-UHFFFAOYSA-N 1 0 324.355 3.735 50 0 DHAARO c1ccc2c(c1)cccc2C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000032735850 182657114 /nfs/dbraw/zinc/65/71/14/182657114.db2.gz RTDWHFDCXNNEEA-UHFFFAOYSA-N 1 0 305.377 3.901 50 0 DHAARO C[C@H](C[NH2+]Cc1ccc(Cl)cc1Cl)Oc1ccccn1 ZINC000035287332 182767088 /nfs/dbraw/zinc/76/70/88/182767088.db2.gz JCNMXUVOLRRIAV-LLVKDONJSA-N 1 0 311.212 3.946 50 0 DHAARO Cc1ccc(C2=[NH+]CCCN2C(=S)Nc2ccccc2)cc1 ZINC000041104937 183165962 /nfs/dbraw/zinc/16/59/62/183165962.db2.gz FIZIQQBYIKOZFY-UHFFFAOYSA-N 1 0 309.438 3.844 50 0 DHAARO Clc1ccc(OC[C@H]2CC[NH2+]C2)c(Cc2ccccc2)c1 ZINC000042773750 183306884 /nfs/dbraw/zinc/30/68/84/183306884.db2.gz GRQYWKPTPRCABS-HNNXBMFYSA-N 1 0 301.817 3.919 50 0 DHAARO CC[C@@H](C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770402 183307304 /nfs/dbraw/zinc/30/73/04/183307304.db2.gz VNQGNGYCEHFOAQ-NEPJUHHUSA-N 1 0 312.251 3.951 50 0 DHAARO C[C@@H](CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000106088386 194185138 /nfs/dbraw/zinc/18/51/38/194185138.db2.gz NYEWLKFVPFIXQH-KSZLIROESA-N 1 0 316.489 3.664 50 0 DHAARO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000051991167 183844899 /nfs/dbraw/zinc/84/48/99/183844899.db2.gz UDBLNKWMZORIJP-QWHCGFSZSA-N 1 0 305.365 3.692 50 0 DHAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1nnc(-c2cccs2)o1 ZINC000110642488 194345414 /nfs/dbraw/zinc/34/54/14/194345414.db2.gz RTHSADNJNWBXEE-WDEREUQCSA-N 1 0 309.460 3.514 50 0 DHAARO CCOc1ccc2ccccc2c1C[NH2+]CCOc1ccccn1 ZINC000057356046 184036352 /nfs/dbraw/zinc/03/63/52/184036352.db2.gz BIXQDKWIOJEGEJ-UHFFFAOYSA-N 1 0 322.408 3.802 50 0 DHAARO CSc1ccc(-c2noc(C[NH+]3CCCCCC3)n2)cc1 ZINC000057427624 184038191 /nfs/dbraw/zinc/03/81/91/184038191.db2.gz OWKNEWILPSPISE-UHFFFAOYSA-N 1 0 303.431 3.835 50 0 DHAARO CCOC(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000057626561 184042614 /nfs/dbraw/zinc/04/26/14/184042614.db2.gz MXKMBOKOUCGVTP-QGZVFWFLSA-N 1 0 305.418 3.566 50 0 DHAARO CCCCc1noc([C@H](C)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000057992261 184065708 /nfs/dbraw/zinc/06/57/08/184065708.db2.gz DTYBEWIOGWDOKQ-HNNXBMFYSA-N 1 0 322.497 3.527 50 0 DHAARO C[C@H]1CCC[N@@H+]([C@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000058012673 184066724 /nfs/dbraw/zinc/06/67/24/184066724.db2.gz ICHHZXDFTNZSLP-LPHOPBHVSA-N 1 0 314.473 3.909 50 0 DHAARO Cc1ccc([C@H](C(=O)NC2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000058012627 184066995 /nfs/dbraw/zinc/06/69/95/184066995.db2.gz RLHQJPYGVDFPCM-LJQANCHMSA-N 1 0 314.473 3.971 50 0 DHAARO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccccc1F ZINC000058178600 184084829 /nfs/dbraw/zinc/08/48/29/184084829.db2.gz UYZFTFXIVWHOGP-UHFFFAOYSA-N 1 0 315.392 3.551 50 0 DHAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(Cl)cc1 ZINC000058202231 184087384 /nfs/dbraw/zinc/08/73/84/184087384.db2.gz SMRDGZALPHIGAI-UHFFFAOYSA-N 1 0 310.869 3.780 50 0 DHAARO Cc1cccc(NC(=O)C[NH2+]Cc2cccc(Cl)c2)c1C ZINC000058161145 184082449 /nfs/dbraw/zinc/08/24/49/184082449.db2.gz VOPSGXYJMCVLSS-UHFFFAOYSA-N 1 0 302.805 3.685 50 0 DHAARO COc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C(C)C)nn1C ZINC000058407783 184114171 /nfs/dbraw/zinc/11/41/71/184114171.db2.gz VNVLKDYWMKMHMO-QGZVFWFLSA-N 1 0 313.445 3.719 50 0 DHAARO CC[NH+](CC)[C@H](CNc1ncnc2ccsc21)CC(C)C ZINC000058621078 184124995 /nfs/dbraw/zinc/12/49/95/184124995.db2.gz CDJQXCYKZDWLDN-ZDUSSCGKSA-N 1 0 306.479 3.860 50 0 DHAARO CC(C)C[NH+](Cc1nnc(Cc2ccccc2)o1)CC(C)C ZINC000060356088 184146571 /nfs/dbraw/zinc/14/65/71/184146571.db2.gz CGIYAXVJOKFEOD-UHFFFAOYSA-N 1 0 301.434 3.774 50 0 DHAARO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000065387469 184333816 /nfs/dbraw/zinc/33/38/16/184333816.db2.gz RVGUHUCBUQHVNJ-OAQYLSRUSA-N 1 0 318.420 3.637 50 0 DHAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1-c1ncoc1C(C)C ZINC000065394490 184334613 /nfs/dbraw/zinc/33/46/13/184334613.db2.gz ZOUZYADIXUQTFZ-UHFFFAOYSA-N 1 0 309.373 3.627 50 0 DHAARO Cc1cc(-n2nc(C3CC3)nc2[C@H]2Cc3ccccc3O2)cc[nH+]1 ZINC000065396156 184334982 /nfs/dbraw/zinc/33/49/82/184334982.db2.gz UOHWIDRHTFJSET-QGZVFWFLSA-N 1 0 318.380 3.524 50 0 DHAARO C(=C/c1ccco1)\C[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000065371379 184330076 /nfs/dbraw/zinc/33/00/76/184330076.db2.gz WTPDGTDBTOGNKS-HNQUOIGGSA-N 1 0 313.401 3.508 50 0 DHAARO C[C@H](CC(F)(F)F)[NH2+]CCc1csc(-c2cccnc2)n1 ZINC000065373795 184330764 /nfs/dbraw/zinc/33/07/64/184330764.db2.gz IHHXUHDMBKMFQY-SNVBAGLBSA-N 1 0 315.364 3.678 50 0 DHAARO Cc1nccn1-c1ccccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000065435439 184345022 /nfs/dbraw/zinc/34/50/22/184345022.db2.gz VIAFHZNNXXEKBF-HXUWFJFHSA-N 1 0 317.436 3.828 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1sccc1C1CC1)c1cccs1 ZINC000065474862 184351826 /nfs/dbraw/zinc/35/18/26/184351826.db2.gz HUINDHJFQBQSBO-ZDUSSCGKSA-N 1 0 320.483 3.720 50 0 DHAARO CCOc1c(C[NH2+][C@H]2CCc3ccccc3C2)cccc1OC ZINC000065503478 184356196 /nfs/dbraw/zinc/35/61/96/184356196.db2.gz DUEQVUGEXKRHME-SFHVURJKSA-N 1 0 311.425 3.741 50 0 DHAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000067500808 184470347 /nfs/dbraw/zinc/47/03/47/184470347.db2.gz AJDANUZZLQXYLE-MRXNPFEDSA-N 1 0 323.440 3.861 50 0 DHAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000218913967 257240118 /nfs/dbraw/zinc/24/01/18/257240118.db2.gz ZCYDXOCZAXWALB-WOSRLPQWSA-N 1 0 306.837 3.521 50 0 DHAARO Cc1nnc2ncc(-c3ccc([C@H](C)[NH+]4CCCCC4)cc3)cn12 ZINC000426503701 257248800 /nfs/dbraw/zinc/24/88/00/257248800.db2.gz UWVLQVLYFTZNHW-AWEZNQCLSA-N 1 0 321.428 3.647 50 0 DHAARO CC[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)C1CCOCC1 ZINC000408513192 257256464 /nfs/dbraw/zinc/25/64/64/257256464.db2.gz PSMOGYQKEINAEQ-KRWDZBQOSA-N 1 0 300.402 3.636 50 0 DHAARO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccccc1Br ZINC000240551409 257259438 /nfs/dbraw/zinc/25/94/38/257259438.db2.gz GTMIWUDLXGRLPE-HIFRSBDPSA-N 1 0 323.278 3.508 50 0 DHAARO O=[N+]1C(c2cccc(C(F)(F)F)c2)=CN(O)[C@H]2CCCC[C@@H]21 ZINC000334157315 257261677 /nfs/dbraw/zinc/26/16/77/257261677.db2.gz IQSMOYZICQIYJL-STQMWFEESA-N 1 0 313.299 3.799 50 0 DHAARO Clc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)cc2ccccc21 ZINC000072089558 184929510 /nfs/dbraw/zinc/92/95/10/184929510.db2.gz HUMMXPJMTQBYDA-CQSZACIVSA-N 1 0 301.821 3.563 50 0 DHAARO Cc1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)c(C)c1 ZINC000065534372 134827653 /nfs/dbraw/zinc/82/76/53/134827653.db2.gz UDISKDVKKNWTCC-UHFFFAOYSA-N 1 0 321.424 3.767 50 0 DHAARO C[C@@H](c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)[NH+]1CCCC1 ZINC000534586318 334292143 /nfs/dbraw/zinc/29/21/43/334292143.db2.gz LWDIMWQTZJNWAS-AWEZNQCLSA-N 1 0 319.412 3.691 50 0 DHAARO CCc1nc(C)c(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000534676166 334323310 /nfs/dbraw/zinc/32/33/10/334323310.db2.gz CVIKHTGZRPLOAU-CQSZACIVSA-N 1 0 319.449 3.522 50 0 DHAARO CCn1nncc1C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000418108702 336568277 /nfs/dbraw/zinc/56/82/77/336568277.db2.gz BMUFBVUBOPZGTQ-GOEBONIOSA-N 1 0 318.852 3.767 50 0 DHAARO C[C@@H](O)C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000092969344 341458543 /nfs/dbraw/zinc/45/85/43/341458543.db2.gz XQWWNFWUQYKERU-OAHLLOKOSA-N 1 0 303.446 3.601 50 0 DHAARO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccsc1)c1ccccc1 ZINC000157195042 341634459 /nfs/dbraw/zinc/63/44/59/341634459.db2.gz UWEOKAGIORVXBV-ZDUSSCGKSA-N 1 0 317.458 3.999 50 0 DHAARO Cc1cc(NCc2ccccn2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191679102 525279895 /nfs/dbraw/zinc/27/98/95/525279895.db2.gz UYPFWRLBWYAESE-UHFFFAOYSA-N 1 0 324.472 3.533 50 0 DHAARO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035047782 563795373 /nfs/dbraw/zinc/79/53/73/563795373.db2.gz NMZGDAGBEYLRLH-JTQLQIEISA-N 1 0 323.223 3.943 50 0 DHAARO CC(C)[NH+]1CCC(OC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000089870057 563911676 /nfs/dbraw/zinc/91/16/76/563911676.db2.gz YPZCODGSQOSFIM-UHFFFAOYSA-N 1 0 315.335 3.735 50 0 DHAARO CCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027662748 563429088 /nfs/dbraw/zinc/42/90/88/563429088.db2.gz JWUQMBFXAGSCQO-GOSISDBHSA-N 1 0 302.462 3.828 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000000124620 563221027 /nfs/dbraw/zinc/22/10/27/563221027.db2.gz FUDFJBHPFJYIJY-KRWDZBQOSA-N 1 0 305.462 3.590 50 0 DHAARO O[C@H](CN(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000000127000 563221030 /nfs/dbraw/zinc/22/10/30/563221030.db2.gz OBOZOKPRZDQAJO-FQEVSTJZSA-N 1 0 310.441 3.672 50 0 DHAARO COc1ccccc1C[NH2+]Cc1ccc(Br)cc1 ZINC000000172176 563227522 /nfs/dbraw/zinc/22/75/22/563227522.db2.gz CFNOXXUSRSBZFY-UHFFFAOYSA-N 1 0 306.203 3.748 50 0 DHAARO Cc1ccc(C)c(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000000176334 563227798 /nfs/dbraw/zinc/22/77/98/563227798.db2.gz RKRWOGPCGLBISV-UHFFFAOYSA-N 1 0 308.425 3.690 50 0 DHAARO CCc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000000282704 563235921 /nfs/dbraw/zinc/23/59/21/563235921.db2.gz LJLHVKHHPABZIX-UHFFFAOYSA-N 1 0 310.441 3.580 50 0 DHAARO CC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000000393818 563249926 /nfs/dbraw/zinc/24/99/26/563249926.db2.gz UKGXYSOSRSCGJB-UHFFFAOYSA-N 1 0 308.425 3.704 50 0 DHAARO COc1cc2cccnc2c(NCCCCC[NH2+]C(C)C)c1 ZINC000001873651 563296996 /nfs/dbraw/zinc/29/69/96/563296996.db2.gz VKXQZROIIKPELG-UHFFFAOYSA-N 1 0 301.434 3.824 50 0 in-man DHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccccc1Cl ZINC000002164611 563301062 /nfs/dbraw/zinc/30/10/62/563301062.db2.gz KMAYEKNQNBATSW-ZDUSSCGKSA-N 1 0 309.841 3.726 50 0 DHAARO CCOC(=O)CCCCC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515099 563305820 /nfs/dbraw/zinc/30/58/20/563305820.db2.gz HVJHGRYSLRHPNW-UHFFFAOYSA-N 1 0 317.429 3.589 50 0 DHAARO CC(C)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000002692863 563310782 /nfs/dbraw/zinc/31/07/82/563310782.db2.gz MXEAGZWZLNDZPO-LPHOPBHVSA-N 1 0 313.441 3.901 50 0 DHAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000002735068 563311679 /nfs/dbraw/zinc/31/16/79/563311679.db2.gz OZQBWWHZFANMHF-HXUWFJFHSA-N 1 0 322.452 3.557 50 0 DHAARO CCCC[NH2+]CCCOc1ccc(C)cc1Br ZINC000003002080 563320543 /nfs/dbraw/zinc/32/05/43/563320543.db2.gz ZFKSUSAQDQXBQU-UHFFFAOYSA-N 1 0 300.240 3.916 50 0 DHAARO Clc1ccc(-c2csc(N3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000005731174 563330307 /nfs/dbraw/zinc/33/03/07/563330307.db2.gz OEVKPPCAYSTFIC-AWEZNQCLSA-N 1 0 319.861 3.748 50 0 DHAARO Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062535 563351245 /nfs/dbraw/zinc/35/12/45/563351245.db2.gz AWOKAIKPBJENEP-UHFFFAOYSA-N 1 0 322.452 3.523 50 0 DHAARO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010449943 563356838 /nfs/dbraw/zinc/35/68/38/563356838.db2.gz XLEKPJWSTYSFQO-INIZCTEOSA-N 1 0 320.436 3.874 50 0 DHAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccccc1F ZINC000010435870 563357039 /nfs/dbraw/zinc/35/70/39/563357039.db2.gz AUILNEWNXRWKFK-UHFFFAOYSA-N 1 0 303.377 3.911 50 0 DHAARO COc1ccc2[nH]c(-c3ccccc3)c(C[NH+](C)C)c(=O)c2c1 ZINC000008717287 563358516 /nfs/dbraw/zinc/35/85/16/563358516.db2.gz WXJSESLEWATHDR-UHFFFAOYSA-N 1 0 308.381 3.678 50 0 DHAARO Cc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000011874166 563360121 /nfs/dbraw/zinc/36/01/21/563360121.db2.gz YVQKCCVHYYRBHC-OAQYLSRUSA-N 1 0 309.453 3.812 50 0 DHAARO Cc1c(C)n(Cc2cccnc2)c2[nH+]c3c(c(N)c12)CCCCC3 ZINC000012323573 563366049 /nfs/dbraw/zinc/36/60/49/563366049.db2.gz CHZQRZLCUFXREZ-UHFFFAOYSA-N 1 0 320.440 3.948 50 0 DHAARO CCn1ncc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c1C ZINC000012385761 563368154 /nfs/dbraw/zinc/36/81/54/563368154.db2.gz HPIMFHTYNVIJHB-CQSZACIVSA-N 1 0 323.444 3.556 50 0 DHAARO CCOc1cc(CNc2cccc3[nH+]c(C)[nH]c32)ccc1OC ZINC000012476607 563370806 /nfs/dbraw/zinc/37/08/06/563370806.db2.gz ARAYALRARWNTIX-UHFFFAOYSA-N 1 0 311.385 3.891 50 0 DHAARO Cc1occc1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012576250 563371375 /nfs/dbraw/zinc/37/13/75/563371375.db2.gz UOXZTBDUOBYZOQ-OAHLLOKOSA-N 1 0 304.434 3.505 50 0 DHAARO Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000012703862 563372531 /nfs/dbraw/zinc/37/25/31/563372531.db2.gz ZZCROPYZVOOKJR-LJQANCHMSA-N 1 0 314.473 3.770 50 0 DHAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012711138 563373299 /nfs/dbraw/zinc/37/32/99/563373299.db2.gz BBMDSZXLIRIJRN-CQSZACIVSA-N 1 0 321.848 3.722 50 0 DHAARO CC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000013683120 563385591 /nfs/dbraw/zinc/38/55/91/563385591.db2.gz WHTGYMFTPLAFRJ-UHFFFAOYSA-N 1 0 300.446 3.545 50 0 DHAARO Fc1cc2cccnc2c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000032825149 563399425 /nfs/dbraw/zinc/39/94/25/563399425.db2.gz MBDPWTCGQUPRKB-UHFFFAOYSA-N 1 0 321.399 3.696 50 0 DHAARO CCN1CC[N@H+](Cc2ccc(-c3ccccc3C)cc2)CCC1=O ZINC000014989694 563404674 /nfs/dbraw/zinc/40/46/74/563404674.db2.gz PCHVSDGTWRZWNX-UHFFFAOYSA-N 1 0 322.452 3.716 50 0 DHAARO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+](C)C1CCOCC1 ZINC000015062226 563406021 /nfs/dbraw/zinc/40/60/21/563406021.db2.gz XZTJXUUPYVRQCF-UHFFFAOYSA-N 1 0 322.355 3.539 50 0 DHAARO O=C(Nc1ccccc1F)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000015240432 563408448 /nfs/dbraw/zinc/40/84/48/563408448.db2.gz HVIUQKDBHLZZEJ-CJNGLKHVSA-N 1 0 306.381 3.639 50 0 DHAARO c1ccc(-c2cccc(N3CCC([NH+]4CCOCC4)CC3)c2)cc1 ZINC000023431384 563420143 /nfs/dbraw/zinc/42/01/43/563420143.db2.gz QOMHXXMOYFXTSS-UHFFFAOYSA-N 1 0 322.452 3.655 50 0 DHAARO CCc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)sc1C ZINC000023898784 563420531 /nfs/dbraw/zinc/42/05/31/563420531.db2.gz IAOGDFOOHZQCGK-UHFFFAOYSA-N 1 0 302.443 3.933 50 0 DHAARO O=C(COc1ccccc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027143655 563427477 /nfs/dbraw/zinc/42/74/77/563427477.db2.gz IPWAFAJSBYJSDN-UHFFFAOYSA-N 1 0 324.424 3.690 50 0 DHAARO CCc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029482998 563434383 /nfs/dbraw/zinc/43/43/83/563434383.db2.gz LJQMCJAYLKIXIW-LJQANCHMSA-N 1 0 308.425 3.807 50 0 DHAARO CCN(CC)[C@H](C[NH2+]Cc1cc(F)cc(F)c1)c1ccco1 ZINC000032553510 563442712 /nfs/dbraw/zinc/44/27/12/563442712.db2.gz YMKSNRWUBIMEHM-MRXNPFEDSA-N 1 0 308.372 3.731 50 0 DHAARO C[NH+](C)CCSc1nc2ccccc2n1Cc1ccccc1 ZINC000000191604 563446962 /nfs/dbraw/zinc/44/69/62/563446962.db2.gz ZOOOUVQELIUMBU-UHFFFAOYSA-N 1 0 311.454 3.738 50 0 DHAARO CC(C)[NH2+]CCn1c(-c2ccccc2)cn2c3ccccc3nc21 ZINC000005034037 563450761 /nfs/dbraw/zinc/45/07/61/563450761.db2.gz NLPCWROWSUZGBY-UHFFFAOYSA-N 1 0 318.424 3.954 50 0 DHAARO CC(C)[C@@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000034870149 563451787 /nfs/dbraw/zinc/45/17/87/563451787.db2.gz GHQSAUPEWUARBG-JKIFEVAISA-N 1 0 308.491 3.539 50 0 DHAARO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000049581113 563468239 /nfs/dbraw/zinc/46/82/39/563468239.db2.gz MTFCVOVRLIBVAP-CVEARBPZSA-N 1 0 304.434 3.612 50 0 DHAARO CC1CC[NH+](CC(=O)n2c3ccccc3c3c2CCCC3)CC1 ZINC000054097267 563469936 /nfs/dbraw/zinc/46/99/36/563469936.db2.gz LWWPQTIJAHKPKT-UHFFFAOYSA-N 1 0 310.441 3.892 50 0 DHAARO C/C(=C\c1ccccc1)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000071924544 563470360 /nfs/dbraw/zinc/47/03/60/563470360.db2.gz UPGZZTZWZPTCJV-OBGWFSINSA-N 1 0 321.468 3.739 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)[nH]1 ZINC000055099338 563470604 /nfs/dbraw/zinc/47/06/04/563470604.db2.gz VDIBEWOICMCGSD-OAHLLOKOSA-N 1 0 301.409 3.702 50 0 DHAARO Clc1cccc(OCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000055183437 563473015 /nfs/dbraw/zinc/47/30/15/563473015.db2.gz CMDAEMVPUJBEJV-UHFFFAOYSA-N 1 0 316.832 3.541 50 0 DHAARO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccc(O)c1 ZINC000055393184 563475666 /nfs/dbraw/zinc/47/56/66/563475666.db2.gz PRCSPNPVFIUVIS-UHFFFAOYSA-N 1 0 311.360 3.553 50 0 DHAARO Cc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055543433 563476497 /nfs/dbraw/zinc/47/64/97/563476497.db2.gz DGKUBJRVFFPESP-UHFFFAOYSA-N 1 0 300.833 3.971 50 0 DHAARO C[C@H]([NH2+]Cc1cccc(COC2CCCC2)c1)c1cnn(C)c1 ZINC000096477434 563484343 /nfs/dbraw/zinc/48/43/43/563484343.db2.gz SNPDWHCRRCDKCJ-HNNXBMFYSA-N 1 0 313.445 3.730 50 0 DHAARO Cc1ccc(N2CCC([NH2+][C@H](C)c3cccs3)CC2)nc1 ZINC000096478331 563484623 /nfs/dbraw/zinc/48/46/23/563484623.db2.gz KCMUZVDLNXHTSJ-CQSZACIVSA-N 1 0 301.459 3.771 50 0 DHAARO COc1ccc(Oc2ccc(Cl)nn2)cc1C[NH+]1CCCC1 ZINC000067561913 563487759 /nfs/dbraw/zinc/48/77/59/563487759.db2.gz QANDPDUJBZENAR-UHFFFAOYSA-N 1 0 319.792 3.527 50 0 DHAARO c1cc([C@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)n[nH]1 ZINC000067805643 563491423 /nfs/dbraw/zinc/49/14/23/563491423.db2.gz JQGOYZLPDGQVFP-HNNXBMFYSA-N 1 0 313.449 3.560 50 0 DHAARO [NH3+]C[C@H]1Cc2cc(-c3ccc4ccccc4n3)cc(Cl)c2O1 ZINC000067833613 563491524 /nfs/dbraw/zinc/49/15/24/563491524.db2.gz YUVZPUJVDDYQQP-CQSZACIVSA-N 1 0 310.784 3.817 50 0 DHAARO CCN(CC1=CCC[N@H+](C)C1)C(=O)c1ccc2ccccc2c1 ZINC000067946368 563494291 /nfs/dbraw/zinc/49/42/91/563494291.db2.gz WHWIIILVMMHSCE-UHFFFAOYSA-N 1 0 308.425 3.564 50 0 DHAARO Cc1nnc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)o1 ZINC000097110970 563506064 /nfs/dbraw/zinc/50/60/64/563506064.db2.gz WTUPZDTZCPOHTK-UWVGGRQHSA-N 1 0 313.323 3.679 50 0 DHAARO CC[NH+](CC)C1CCN([C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000097165399 563507400 /nfs/dbraw/zinc/50/74/00/563507400.db2.gz NLJYPTUWSCUCJU-HNNXBMFYSA-N 1 0 320.477 3.571 50 0 DHAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000077353899 563509103 /nfs/dbraw/zinc/50/91/03/563509103.db2.gz YAZYJBSXZNMFHI-MRXNPFEDSA-N 1 0 312.413 3.543 50 0 DHAARO CC(=O)N1CCC([NH2+]Cc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000097235428 563514591 /nfs/dbraw/zinc/51/45/91/563514591.db2.gz CWULLGSWXCZDJU-UHFFFAOYSA-N 1 0 322.452 3.763 50 0 DHAARO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000178404123 563526224 /nfs/dbraw/zinc/52/62/24/563526224.db2.gz CSCSLHMXLNLJSP-MPGHIAIKSA-N 1 0 315.486 3.704 50 0 DHAARO CC(C)=CC[N@@H+]1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095376480 563529861 /nfs/dbraw/zinc/52/98/61/563529861.db2.gz PXZLZYGPHQAEKD-OAHLLOKOSA-N 1 0 316.474 3.534 50 0 DHAARO CCC[NH+]1CCC(Cc2noc(-c3cc(C(C)C)no3)n2)CC1 ZINC000095364580 563530063 /nfs/dbraw/zinc/53/00/63/563530063.db2.gz FURCMBLFLCDPHA-UHFFFAOYSA-N 1 0 318.421 3.513 50 0 DHAARO CSc1cccc(NC(=O)N(C)CC[N@H+](C)C2CCCC2)c1 ZINC000096132773 563533584 /nfs/dbraw/zinc/53/35/84/563533584.db2.gz ULUMOGNDTKLDFH-UHFFFAOYSA-N 1 0 321.490 3.747 50 0 DHAARO C[NH+](C)CCCOc1ccc(-c2ccc(-c3cnco3)cc2)cn1 ZINC000096179505 563535773 /nfs/dbraw/zinc/53/57/73/563535773.db2.gz IKRLJGHQDGXTPQ-UHFFFAOYSA-N 1 0 323.396 3.734 50 0 DHAARO O=C1OCC2(CC[NH+](Cc3ccc(C4CCCC4)s3)CC2)O1 ZINC000097528971 563540047 /nfs/dbraw/zinc/54/00/47/563540047.db2.gz HFTFEDRZOXBWMI-UHFFFAOYSA-N 1 0 321.442 3.907 50 0 DHAARO C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1CCSCC1 ZINC000097522214 563540352 /nfs/dbraw/zinc/54/03/52/563540352.db2.gz KZFUACGNEZKRLK-UHFFFAOYSA-N 1 0 321.877 3.853 50 0 DHAARO COc1ccc(/C=C/C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000097618902 563540895 /nfs/dbraw/zinc/54/08/95/563540895.db2.gz FAXDHNIWJUVNJL-DUXPYHPUSA-N 1 0 301.430 3.601 50 0 DHAARO CN1CC[N@H+](Cc2cccc3ncccc23)C[C@@H]1c1ccccc1 ZINC000097743373 563541782 /nfs/dbraw/zinc/54/17/82/563541782.db2.gz VQXSZEWJNNWWDZ-OAQYLSRUSA-N 1 0 317.436 3.724 50 0 DHAARO CC[NH2+]Cc1cc(-c2ccc(Br)c(Cl)c2)n[nH]1 ZINC000725264738 563570814 /nfs/dbraw/zinc/57/08/14/563570814.db2.gz RCEVFLJRKKDWEO-UHFFFAOYSA-N 1 0 314.614 3.602 50 0 DHAARO C[NH+]1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC000000124411 563571660 /nfs/dbraw/zinc/57/16/60/563571660.db2.gz KTBNHBIVVRECOT-UHFFFAOYSA-N 1 0 303.409 3.654 50 0 DHAARO Cc1ccc2oc(-c3ccccc3)c/c(=N\CC[NH+](C)C)c2c1 ZINC000000148579 563573257 /nfs/dbraw/zinc/57/32/57/563573257.db2.gz LTFLDNSWLQKREC-DYTRJAOYSA-N 1 0 306.409 3.871 50 0 DHAARO Clc1cccc(Cl)c1C[NH2+]CCCOc1ccccn1 ZINC000113396998 563581673 /nfs/dbraw/zinc/58/16/73/563581673.db2.gz LFYSWDAFOKUWLJ-UHFFFAOYSA-N 1 0 311.212 3.947 50 0 DHAARO c1cc(-c2ccccc2)oc1C[NH2+]CCCOc1ccccn1 ZINC000113397313 563581929 /nfs/dbraw/zinc/58/19/29/563581929.db2.gz KCRUXFRNYVEHTM-UHFFFAOYSA-N 1 0 308.381 3.900 50 0 DHAARO C[C@H]1C[C@H](Nc2ccccc2OCC(F)(F)F)CC[N@@H+]1C ZINC000127858731 563583587 /nfs/dbraw/zinc/58/35/87/563583587.db2.gz XCCGGIRRAMMMSR-NWDGAFQWSA-N 1 0 302.340 3.522 50 0 DHAARO C[C@H]1C[C@@H](Nc2ccccc2OCC(F)(F)F)CC[N@@H+]1C ZINC000127859176 563583656 /nfs/dbraw/zinc/58/36/56/563583656.db2.gz XCCGGIRRAMMMSR-RYUDHWBXSA-N 1 0 302.340 3.522 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)CC(C)C)c1ccccc1Cl ZINC000011917266 563602376 /nfs/dbraw/zinc/60/23/76/563602376.db2.gz SCILFBXBIZNPMV-MRXNPFEDSA-N 1 0 310.869 3.885 50 0 DHAARO Clc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cn1 ZINC000072633002 563606161 /nfs/dbraw/zinc/60/61/61/563606161.db2.gz OERUCBRYCFMHIT-UHFFFAOYSA-N 1 0 302.805 3.531 50 0 DHAARO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000151860067 563622885 /nfs/dbraw/zinc/62/28/85/563622885.db2.gz YDAQVJHSSZTEDU-VXGBXAGGSA-N 1 0 300.368 3.629 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccs2)cc1 ZINC000052169302 563624701 /nfs/dbraw/zinc/62/47/01/563624701.db2.gz YWNFCPCMXVEKFL-UHFFFAOYSA-N 1 0 302.443 3.520 50 0 DHAARO FC(F)(F)c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000000200722 563628388 /nfs/dbraw/zinc/62/83/88/563628388.db2.gz FRJGAEVYNJXFHC-UHFFFAOYSA-N 1 0 309.287 3.724 50 0 DHAARO CCc1ccc([C@H](C)NCC2=CSC3=NCCCN23)cc1 ZINC000101083844 563650258 /nfs/dbraw/zinc/65/02/58/563650258.db2.gz NVNKEWRFKHGBQM-ZDUSSCGKSA-N 1 0 301.459 3.550 50 0 DHAARO COc1cc(C[NH2+][C@H](C)c2ccccc2C)cc2c1OCCO2 ZINC000014137399 563665267 /nfs/dbraw/zinc/66/52/67/563665267.db2.gz BYKUARXRNNQKTR-CQSZACIVSA-N 1 0 313.397 3.626 50 0 DHAARO C[NH+](C)[C@H]1CCC[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000000552132 563669958 /nfs/dbraw/zinc/66/99/58/563669958.db2.gz KWBLUDBBNZTNOA-RBUKOAKNSA-N 1 0 323.436 3.844 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)Cc1cccs1)c1ccsc1 ZINC000046940477 563678237 /nfs/dbraw/zinc/67/82/37/563678237.db2.gz BNGDZTJDKDRNRX-OAHLLOKOSA-N 1 0 322.499 3.551 50 0 DHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC000107504868 563683993 /nfs/dbraw/zinc/68/39/93/563683993.db2.gz RVJQIQFQXDVDQY-HBUWYVDXSA-N 1 0 318.436 3.513 50 0 DHAARO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Cl)cc2)on1 ZINC000108182453 563687175 /nfs/dbraw/zinc/68/71/75/563687175.db2.gz BNGGLLHEJSDTGP-HUUCEWRRSA-N 1 0 306.793 3.507 50 0 DHAARO Cc1cc([C@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)on1 ZINC000048278797 563694803 /nfs/dbraw/zinc/69/48/03/563694803.db2.gz QGQDLLMXKKCROX-OAHLLOKOSA-N 1 0 311.385 3.894 50 0 DHAARO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000048326540 563696502 /nfs/dbraw/zinc/69/65/02/563696502.db2.gz IBOBGBNMCGIYMT-RTBURBONSA-N 1 0 314.473 3.923 50 0 DHAARO Cc1[nH]nc2ncc(C[NH2+][C@@H]3CCSc4ccccc43)cc12 ZINC000048341074 563697028 /nfs/dbraw/zinc/69/70/28/563697028.db2.gz TUBYJJIGEXHMOS-OAHLLOKOSA-N 1 0 310.426 3.593 50 0 DHAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)NC[C@H](C)c2ccccc2)c1 ZINC000049597289 563702388 /nfs/dbraw/zinc/70/23/88/563702388.db2.gz URDKRSKXTKIGJA-ROUUACIJSA-N 1 0 324.468 3.874 50 0 DHAARO Fc1cccc(OC[C@@H]2CCCN(Cc3cscn3)C2)c1 ZINC000215410114 563705101 /nfs/dbraw/zinc/70/51/01/563705101.db2.gz SPNADOPFIVMAOW-CYBMUJFWSA-N 1 0 306.406 3.573 50 0 DHAARO Cc1c2cc(C)ccc2oc1C[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000215340641 563705403 /nfs/dbraw/zinc/70/54/03/563705403.db2.gz BOORDPFJEMMNMU-CQSZACIVSA-N 1 0 309.413 3.903 50 0 DHAARO Fc1cccc(OC[C@H]2CCCN(Cc3cscn3)C2)c1 ZINC000215410155 563705565 /nfs/dbraw/zinc/70/55/65/563705565.db2.gz SPNADOPFIVMAOW-ZDUSSCGKSA-N 1 0 306.406 3.573 50 0 DHAARO CCn1ccc2c1cccc2C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000216251942 563707957 /nfs/dbraw/zinc/70/79/57/563707957.db2.gz YESLUIAQJMRTHF-UHFFFAOYSA-N 1 0 308.429 3.764 50 0 DHAARO COc1ccc(-c2c[nH+]c(NCc3cccc(F)c3)n2C)cc1 ZINC000000819135 563721298 /nfs/dbraw/zinc/72/12/98/563721298.db2.gz AFWOPYPQVJCESC-UHFFFAOYSA-N 1 0 311.360 3.847 50 0 DHAARO Cc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000221316263 563723163 /nfs/dbraw/zinc/72/31/63/563723163.db2.gz FAEGKEAMZQEAKR-OAHLLOKOSA-N 1 0 320.864 3.739 50 0 DHAARO CCCOc1cccc(-c2nn(-c3ccccc3)cc2C[NH3+])c1 ZINC000606422244 563743138 /nfs/dbraw/zinc/74/31/38/563743138.db2.gz FKOVXXFSNVXNOH-UHFFFAOYSA-N 1 0 307.397 3.787 50 0 DHAARO OC[C@H]1CCC[N@@H+]1CC(Cc1ccccc1)Cc1ccccc1 ZINC000225419903 563754834 /nfs/dbraw/zinc/75/48/34/563754834.db2.gz VMHJIVLDMQOFPT-OAQYLSRUSA-N 1 0 309.453 3.545 50 0 DHAARO CC(C)(C)OC(=O)NCc1cccc(-c2ccccc2C[NH3+])c1 ZINC000040449484 563757968 /nfs/dbraw/zinc/75/79/68/563757968.db2.gz UZTJUQALQXUZFG-UHFFFAOYSA-N 1 0 312.413 3.837 50 0 DHAARO C[N+]1=C(/C=C/C=C/C=C/N2CCOCC2)C(C)(C)c2ccccc21 ZINC000685944587 563774931 /nfs/dbraw/zinc/77/49/31/563774931.db2.gz OTMDQFZPNRXCRY-UHFFFAOYSA-N 1 0 323.460 3.651 50 0 DHAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1)C1CCCC1 ZINC000240203831 563776565 /nfs/dbraw/zinc/77/65/65/563776565.db2.gz JTVKUNNOGFYCJV-GOSISDBHSA-N 1 0 318.436 3.659 50 0 DHAARO Cc1nccn1CC[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000244716265 563779058 /nfs/dbraw/zinc/77/90/58/563779058.db2.gz LLYZECJILVSIGR-INIZCTEOSA-N 1 0 303.837 3.725 50 0 DHAARO Cc1nccn1CC[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000244716266 563779088 /nfs/dbraw/zinc/77/90/88/563779088.db2.gz LLYZECJILVSIGR-MRXNPFEDSA-N 1 0 303.837 3.725 50 0 DHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccccc1)NCc1cccs1 ZINC000244659861 563779101 /nfs/dbraw/zinc/77/91/01/563779101.db2.gz HJZQHPKOIAEOSS-QGZVFWFLSA-N 1 0 314.454 3.592 50 0 DHAARO Cc1nnc(CN2CCc3sccc3[C@H]2c2ccccc2)o1 ZINC000052685587 563792563 /nfs/dbraw/zinc/79/25/63/563792563.db2.gz WUXUFBJXZFUBOG-QGZVFWFLSA-N 1 0 311.410 3.587 50 0 DHAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000012530338 563798400 /nfs/dbraw/zinc/79/84/00/563798400.db2.gz PXQKFNGMODRZDE-CQSZACIVSA-N 1 0 307.397 3.936 50 0 DHAARO Cc1cccnc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012543234 563799588 /nfs/dbraw/zinc/79/95/88/563799588.db2.gz LFEGELZTUGUPBA-UHFFFAOYSA-N 1 0 309.413 3.628 50 0 DHAARO CC(C)[C@H](NC(=O)CC[NH+]1CCCCCCC1)c1cccnc1 ZINC000299761832 563805220 /nfs/dbraw/zinc/80/52/20/563805220.db2.gz ZXOIPEXEMJIWKQ-IBGZPJMESA-N 1 0 317.477 3.551 50 0 DHAARO Cc1ccsc1-c1cccc(C(=O)N2CCC[C@@H]([NH3+])CC2)c1 ZINC000299785506 563806434 /nfs/dbraw/zinc/80/64/34/563806434.db2.gz SQTUJEUAPKTJDY-MRXNPFEDSA-N 1 0 314.454 3.677 50 0 DHAARO COc1cc(C)c(C[NH2+][C@H](c2ccccn2)C(C)C)cc1OC ZINC000083471039 563811549 /nfs/dbraw/zinc/81/15/49/563811549.db2.gz NUHANLCHYGFPKZ-IBGZPJMESA-N 1 0 314.429 3.894 50 0 DHAARO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@](C)(CO)C1 ZINC000084651510 563829121 /nfs/dbraw/zinc/82/91/21/563829121.db2.gz QMOGJVSNJZOYSB-IUODEOHRSA-N 1 0 312.251 3.605 50 0 DHAARO CC[C@H](C[NH2+]Cc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000085298537 563835364 /nfs/dbraw/zinc/83/53/64/563835364.db2.gz KUTAHDNOOTYVIX-IIBYNOLFSA-N 1 0 301.455 3.707 50 0 DHAARO Cc1cc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)ccc1Cl ZINC000001469930 563838273 /nfs/dbraw/zinc/83/82/73/563838273.db2.gz COZCCBGXWRWDCY-HOCLYGCPSA-N 1 0 319.832 3.739 50 0 DHAARO C[NH+]1CCC([C@@]2(O)CCCSc3ccc(Cl)cc32)CC1 ZINC000075259684 563861877 /nfs/dbraw/zinc/86/18/77/563861877.db2.gz LETNNPBCRUBGRD-INIZCTEOSA-N 1 0 311.878 3.755 50 0 DHAARO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000229720452 563871202 /nfs/dbraw/zinc/87/12/02/563871202.db2.gz DFRMMUMHXXUGPK-ABSDTBQOSA-N 1 0 322.452 3.742 50 0 DHAARO CCCN(C)C(=O)c1cc2sc(C)c(C[NH+]3CCCC3)c2[nH]1 ZINC000075487376 563876125 /nfs/dbraw/zinc/87/61/25/563876125.db2.gz OYSNORHYIJRPSQ-UHFFFAOYSA-N 1 0 319.474 3.616 50 0 DHAARO CC1=C(C)[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)N(CCC(C)C)C1=O ZINC000245253797 563881578 /nfs/dbraw/zinc/88/15/78/563881578.db2.gz QTRVLQKYYQBXGS-MJSCVDMRSA-N 1 0 306.494 3.952 50 0 DHAARO Cc1cc2ncc([C@H](C)[NH2+]CCSC(C)(C)C)c(C)n2n1 ZINC000089516576 563889307 /nfs/dbraw/zinc/88/93/07/563889307.db2.gz DJBRNYMSBKZIPB-LBPRGKRZSA-N 1 0 306.479 3.528 50 0 DHAARO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 ZINC000089580466 563891258 /nfs/dbraw/zinc/89/12/58/563891258.db2.gz SSQFQZADRGIFRN-KGLIPLIRSA-N 1 0 310.401 3.889 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036098779 563893747 /nfs/dbraw/zinc/89/37/47/563893747.db2.gz OMLYMEYLHPAWCN-WMZOPIPTSA-N 1 0 307.478 3.772 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000169678555 563894802 /nfs/dbraw/zinc/89/48/02/563894802.db2.gz QVFNTCUEMSBHSV-IEBWSBKVSA-N 1 0 307.478 3.629 50 0 DHAARO c1ccc2c(c1)NCCC[C@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000170085031 563903662 /nfs/dbraw/zinc/90/36/62/563903662.db2.gz HMKVGAMGARCQIW-LJQANCHMSA-N 1 0 322.456 3.718 50 0 DHAARO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000007375790 563905444 /nfs/dbraw/zinc/90/54/44/563905444.db2.gz PUPNJSSNPJOWRE-OLZOCXBDSA-N 1 0 302.443 3.988 50 0 DHAARO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000007375788 563905450 /nfs/dbraw/zinc/90/54/50/563905450.db2.gz PUPNJSSNPJOWRE-CHWSQXEVSA-N 1 0 302.443 3.988 50 0 DHAARO CC[C@H](c1nc(-c2cc(Br)cs2)no1)[NH+](C)C ZINC000170606732 563907651 /nfs/dbraw/zinc/90/76/51/563907651.db2.gz UHFYBZLDZHRYKU-MRVPVSSYSA-N 1 0 316.224 3.573 50 0 DHAARO CC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000170618596 563908480 /nfs/dbraw/zinc/90/84/80/563908480.db2.gz DTAHHDOEXBGOJH-UHFFFAOYSA-N 1 0 310.482 3.898 50 0 DHAARO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccncc2)c(Cl)c1 ZINC000089669700 563910874 /nfs/dbraw/zinc/91/08/74/563910874.db2.gz WCFFFFXYJUWWNK-ZDUSSCGKSA-N 1 0 317.820 3.723 50 0 DHAARO c1ccc(C2([NH2+]Cc3ccc(N4CCCC4)nc3)CCC2)cc1 ZINC000089827731 563911413 /nfs/dbraw/zinc/91/14/13/563911413.db2.gz UKFQDKQNMVTSNO-UHFFFAOYSA-N 1 0 307.441 3.851 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)CCn1cncn1)c1cc2cc(Cl)ccc2o1 ZINC000090034596 563912585 /nfs/dbraw/zinc/91/25/85/563912585.db2.gz HLDUSLIEUJBYKV-NWDGAFQWSA-N 1 0 318.808 3.807 50 0 DHAARO C[NH+](C)CCCCOc1ccc(Cl)cc1Br ZINC000002825202 563913034 /nfs/dbraw/zinc/91/30/34/563913034.db2.gz JELZPDBZRKPNKD-UHFFFAOYSA-N 1 0 306.631 3.823 50 0 DHAARO CC(C)[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)c1ccnn1C ZINC000252510694 563916449 /nfs/dbraw/zinc/91/64/49/563916449.db2.gz ZOHNMMZGWDIIBU-CYBMUJFWSA-N 1 0 309.816 3.742 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)NCC2CCCCCCC2)CC1 ZINC000170645817 563916694 /nfs/dbraw/zinc/91/66/94/563916694.db2.gz UAGBIIBRLNQUKP-UHFFFAOYSA-N 1 0 309.498 3.519 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000252537068 563917013 /nfs/dbraw/zinc/91/70/13/563917013.db2.gz KFJGJXHOJQENIV-CYBMUJFWSA-N 1 0 314.433 3.582 50 0 DHAARO [NH3+][C@H](CC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195544196 563919615 /nfs/dbraw/zinc/91/96/15/563919615.db2.gz WTHPQIOYMMPMPY-MSOLQXFVSA-N 1 0 312.388 3.579 50 0 DHAARO CC[C@]1(O)c2ccccc2[C@H](c2ccccc2)[C@]1(C)C[NH+](C)C ZINC000261361518 563929567 /nfs/dbraw/zinc/92/95/67/563929567.db2.gz HLOMJYSWLVTBHK-ACRUOGEOSA-N 1 0 309.453 3.998 50 0 DHAARO C[C@H](c1cccnc1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278794596 563930940 /nfs/dbraw/zinc/93/09/40/563930940.db2.gz FGEHVOZDKUXFMF-CQSZACIVSA-N 1 0 312.388 3.877 50 0 DHAARO C[C@H]([NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)nc21)c1ccncc1 ZINC000095402212 563931318 /nfs/dbraw/zinc/93/13/18/563931318.db2.gz WZIQWIQQMPDDON-HOCLYGCPSA-N 1 0 312.461 3.804 50 0 DHAARO C[C@@H]1CSc2ccccc2[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000095427074 563931617 /nfs/dbraw/zinc/93/16/17/563931617.db2.gz ZHTRDQRXRWNSCC-FZKQIMNGSA-N 1 0 302.487 3.686 50 0 DHAARO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000095940570 563932035 /nfs/dbraw/zinc/93/20/35/563932035.db2.gz GTIJEWBDIFSRSJ-ZDUSSCGKSA-N 1 0 303.418 3.888 50 0 DHAARO Cc1cc(N(C)Cc2nc(-c3ccccc3)c[nH]2)nc(C2CC2)n1 ZINC000095966901 563932970 /nfs/dbraw/zinc/93/29/70/563932970.db2.gz RLAYSVCFZFDFJE-UHFFFAOYSA-N 1 0 319.412 3.689 50 0 DHAARO COc1ccccc1[C@H](C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000095967621 563933004 /nfs/dbraw/zinc/93/30/04/563933004.db2.gz JYEGPLNMVKJLLC-MRXNPFEDSA-N 1 0 316.489 3.795 50 0 DHAARO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1nc2ccccc2s1 ZINC000095968352 563933254 /nfs/dbraw/zinc/93/32/54/563933254.db2.gz RFEAHHHXQUKTMJ-MEDUHNTESA-N 1 0 318.467 3.916 50 0 DHAARO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)c1c(C)nn(C)c1C ZINC000095968714 563933266 /nfs/dbraw/zinc/93/32/66/563933266.db2.gz MGTYKPHEBLNZGX-GTNSWQLSSA-N 1 0 319.424 3.987 50 0 DHAARO COc1cccc2cc([C@H](C)[NH2+]C[C@@](C)(O)c3ccco3)oc21 ZINC000095987952 563934156 /nfs/dbraw/zinc/93/41/56/563934156.db2.gz YJFMIKGXJIVNPK-KPZWWZAWSA-N 1 0 315.369 3.593 50 0 DHAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc(CSC(F)F)o1 ZINC000096003694 563934581 /nfs/dbraw/zinc/93/45/81/563934581.db2.gz TWMGANMPZHXDMT-CQSZACIVSA-N 1 0 318.433 3.507 50 0 DHAARO COC[C@H](N[C@@H](C)c1ccc(Br)o1)c1ccco1 ZINC000225575419 563938013 /nfs/dbraw/zinc/93/80/13/563938013.db2.gz IGXQGKMEMFCRFN-UWVGGRQHSA-N 1 0 314.179 3.673 50 0 DHAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506502 563938256 /nfs/dbraw/zinc/93/82/56/563938256.db2.gz SFWUABOBSKXHPT-RVKKMQEKSA-N 1 0 318.436 3.752 50 0 DHAARO O[C@H](C[NH2+]C1CCCCCC1)COc1cccc2ccccc21 ZINC000002624412 563939543 /nfs/dbraw/zinc/93/95/43/563939543.db2.gz BQQIGHILYUCELW-GOSISDBHSA-N 1 0 313.441 3.892 50 0 DHAARO Cc1cccc(NC(=S)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000002645325 563940039 /nfs/dbraw/zinc/94/00/39/563940039.db2.gz RWKUVLRNTJXXHU-QGZVFWFLSA-N 1 0 313.470 3.584 50 0 DHAARO Cc1cc(C)c(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)c(C)c1 ZINC000003194186 563942872 /nfs/dbraw/zinc/94/28/72/563942872.db2.gz CITKQVBWORSVBS-IEBWSBKVSA-N 1 0 313.441 3.702 50 0 DHAARO CC(C)[N@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1ccccc1 ZINC000003220235 563942953 /nfs/dbraw/zinc/94/29/53/563942953.db2.gz YAZITAZHXQNZJY-QGZVFWFLSA-N 1 0 322.452 3.875 50 0 DHAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)c(F)c1 ZINC000229557126 563945544 /nfs/dbraw/zinc/94/55/44/563945544.db2.gz BZEBIVQVTUXHKV-UYHISHBKSA-N 1 0 322.399 3.501 50 0 DHAARO C[C@H]([NH2+]C1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008038440 563946337 /nfs/dbraw/zinc/94/63/37/563946337.db2.gz GBONJHDFOWMOHZ-VIFPVBQESA-N 1 0 301.217 3.853 50 0 DHAARO Nc1ncccc1C[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000670471167 563948632 /nfs/dbraw/zinc/94/86/32/563948632.db2.gz UFQHQBBYZNHEIP-AWEZNQCLSA-N 1 0 301.821 3.697 50 0 DHAARO C[C@H]1CCC[N@@H+]([C@@H](C(=O)NC2CCCC2)c2ccccc2)C1 ZINC000008556821 563948958 /nfs/dbraw/zinc/94/89/58/563948958.db2.gz QVXCIYSIZNYDPI-MAUKXSAKSA-N 1 0 300.446 3.518 50 0 DHAARO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)cc1 ZINC000008710036 563950063 /nfs/dbraw/zinc/95/00/63/563950063.db2.gz PCBMMEKMKOFWOS-UHFFFAOYSA-N 1 0 307.397 3.684 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000245339140 563952699 /nfs/dbraw/zinc/95/26/99/563952699.db2.gz QTXNORNKKJSXIR-YSHGAJCASA-N 1 0 318.505 3.536 50 0 DHAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2csc(-c3ccco3)n2)c1 ZINC000069459505 563952944 /nfs/dbraw/zinc/95/29/44/563952944.db2.gz SNNDGHRGBAERMJ-STQMWFEESA-N 1 0 316.430 3.647 50 0 DHAARO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010456720 563959198 /nfs/dbraw/zinc/95/91/98/563959198.db2.gz METNXGSHUOHZAO-UHFFFAOYSA-N 1 0 322.452 3.911 50 0 DHAARO COc1ccc(C[C@@H](C)[NH2+][C@H](C)Cc2ccccc2)cc1OC ZINC000320571085 563960321 /nfs/dbraw/zinc/96/03/21/563960321.db2.gz QHQBHDHZRNEONH-HZPDHXFCSA-N 1 0 313.441 3.856 50 0 DHAARO CCO[C@H](C)c1nc(C[N@H+](C(C)C)C2CCOCC2)cs1 ZINC000077322862 563960800 /nfs/dbraw/zinc/96/08/00/563960800.db2.gz QDPAUEJDBPJMPP-CYBMUJFWSA-N 1 0 312.479 3.630 50 0 DHAARO CC[N@@H+](Cc1cccs1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078047092 563960990 /nfs/dbraw/zinc/96/09/90/563960990.db2.gz JHZFVLOZRUBHNR-AWEZNQCLSA-N 1 0 324.490 3.827 50 0 DHAARO CC(C)(C)n1cc(C[NH2+]Cc2ccccc2N2CCCC2)cn1 ZINC000078552881 563961188 /nfs/dbraw/zinc/96/11/88/563961188.db2.gz HVVFKMNDLIBSEJ-UHFFFAOYSA-N 1 0 312.461 3.528 50 0 DHAARO c1ccc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc1 ZINC000534333363 563961608 /nfs/dbraw/zinc/96/16/08/563961608.db2.gz JHDSGSPBPZFQNP-FQEVSTJZSA-N 1 0 304.393 3.808 50 0 DHAARO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036430683 568418935 /nfs/dbraw/zinc/41/89/35/568418935.db2.gz WBLURPAGRKIDKQ-ULQDDVLXSA-N 1 0 300.446 3.834 50 0 DHAARO O=C(Nc1cccc(C[NH2+]Cc2cccs2)c1)c1ccncc1 ZINC000055171679 568421962 /nfs/dbraw/zinc/42/19/62/568421962.db2.gz QHPUOQBAVAEBIC-UHFFFAOYSA-N 1 0 323.421 3.685 50 0 DHAARO CCOc1ccc(-c2nc3cc(C)ccn3c2C[NH+](C)C)cc1 ZINC000031933073 1013435923 /nfs/dbraw/zinc/43/59/23/1013435923.db2.gz NJSHAURKNAEZHN-UHFFFAOYSA-N 1 0 309.413 3.770 50 0 DHAARO CC(C)=CCC/C(C)=C/C[NH+]1CCC(CNC(=O)C2CC2)CC1 ZINC000952860320 1032664663 /nfs/dbraw/zinc/66/46/63/1032664663.db2.gz METVUMPQNRMYBC-RQZCQDPDSA-N 1 0 318.505 3.917 50 0 DHAARO Cc1ccccc1C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)C1CC1 ZINC000952845306 1032665212 /nfs/dbraw/zinc/66/52/12/1032665212.db2.gz WWFDJKDEMKCWPC-HXUWFJFHSA-N 1 0 313.416 3.737 50 0 DHAARO C[C@@H]([NH2+]Cc1ncccc1O)c1ccc(OCC2CC2)c(F)c1 ZINC000952845652 1032665338 /nfs/dbraw/zinc/66/53/38/1032665338.db2.gz LXHXEADZHACSDC-GFCCVEGCSA-N 1 0 316.376 3.566 50 0 DHAARO Cc1ccccc1C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)C1CC1 ZINC000952845302 1032665889 /nfs/dbraw/zinc/66/58/89/1032665889.db2.gz WWFDJKDEMKCWPC-FQEVSTJZSA-N 1 0 313.416 3.737 50 0 DHAARO COc1cccc(F)c1CN(CCCO)Cc1ccc(C)cc1 ZINC000952964950 1032670774 /nfs/dbraw/zinc/67/07/74/1032670774.db2.gz AXWNYJQHWRFYLE-UHFFFAOYSA-N 1 0 317.404 3.527 50 0 DHAARO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC000952979871 1032680184 /nfs/dbraw/zinc/68/01/84/1032680184.db2.gz BAZHXWBZMROUOR-LJQANCHMSA-N 1 0 309.457 3.713 50 0 DHAARO CCc1nc2c(s1)[C@H]([NH2+]Cc1c(CC)noc1CC)CCC2 ZINC000166966216 1019546480 /nfs/dbraw/zinc/54/64/80/1019546480.db2.gz ZQAYAYBSWCAYBT-CYBMUJFWSA-N 1 0 319.474 3.986 50 0 DHAARO C[C@@H](CC(=O)Nc1cc(C[NH+](C)C)ccn1)C1CCCCC1 ZINC000176914807 1019913361 /nfs/dbraw/zinc/91/33/61/1019913361.db2.gz ZABCELCWVOXPSU-AWEZNQCLSA-N 1 0 303.450 3.688 50 0 DHAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)C1=CCCCC1 ZINC000012299649 1020038065 /nfs/dbraw/zinc/03/80/65/1020038065.db2.gz SBGKMQIBZGFMGX-GOSISDBHSA-N 1 0 304.478 3.648 50 0 DHAARO COC1(C[NH2+][C@@H](C)c2cc3ccccc3s2)CCOCC1 ZINC000188255803 1020314477 /nfs/dbraw/zinc/31/44/77/1020314477.db2.gz IXSSHDSROZIPTC-ZDUSSCGKSA-N 1 0 305.443 3.748 50 0 DHAARO CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012387688 1020400741 /nfs/dbraw/zinc/40/07/41/1020400741.db2.gz IORYGDDQGSJWQI-FQEVSTJZSA-N 1 0 314.473 3.644 50 0 DHAARO Cc1ccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000033128943 1020515035 /nfs/dbraw/zinc/51/50/35/1020515035.db2.gz JFJRSYRHXDPMII-UHFFFAOYSA-N 1 0 309.413 3.554 50 0 DHAARO COc1ccc(C[N@H+](CC2CCC2)C[C@H]2CCCO2)cc1F ZINC000824721361 1020581630 /nfs/dbraw/zinc/58/16/30/1020581630.db2.gz JMFICAKFUVMSHV-MRXNPFEDSA-N 1 0 307.409 3.615 50 0 DHAARO COc1ccc(C[N@H+](C)[C@@H](C)Cc2cc(C)ccn2)cc1F ZINC000824721378 1020581697 /nfs/dbraw/zinc/58/16/97/1020581697.db2.gz NKSPOUFEECICNE-AWEZNQCLSA-N 1 0 302.393 3.601 50 0 DHAARO c1ccc(CC[N@@H+]2CCc3onc(-c4ccccc4)c3C2)cc1 ZINC000012431944 1020585904 /nfs/dbraw/zinc/58/59/04/1020585904.db2.gz LUQBJYQZGGSUAG-UHFFFAOYSA-N 1 0 304.393 3.942 50 0 DHAARO Cc1cnc(-c2ccccc2)n1[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000581808120 1020912249 /nfs/dbraw/zinc/91/22/49/1020912249.db2.gz QFUDGZJIMIPCRS-IBGZPJMESA-N 1 0 318.424 3.701 50 0 DHAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)C2CCCC2)CC1 ZINC000581817167 1021852526 /nfs/dbraw/zinc/85/25/26/1021852526.db2.gz VCRUMXKNCZEIBG-UHFFFAOYSA-N 1 0 317.477 3.573 50 0 DHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000004021708 1022249300 /nfs/dbraw/zinc/24/93/00/1022249300.db2.gz BSPMSTCAXPQQMY-IEBWSBKVSA-N 1 0 316.489 3.761 50 0 DHAARO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000175538827 1022399888 /nfs/dbraw/zinc/39/98/88/1022399888.db2.gz PVOSJRDLFXKUAS-ZDUSSCGKSA-N 1 0 321.490 3.515 50 0 DHAARO COC1(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CCC1 ZINC000180193825 1022658257 /nfs/dbraw/zinc/65/82/57/1022658257.db2.gz LZTQQUOOLXNUSW-ZDUSSCGKSA-N 1 0 317.408 3.540 50 0 DHAARO CCCC[N@H+]1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)[nH]c(=O)c1C2 ZINC000675009711 1022737999 /nfs/dbraw/zinc/73/79/99/1022737999.db2.gz CWKWHNRQUCGVQS-CVEARBPZSA-N 1 0 323.440 3.581 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2ccccc2c1Cl ZINC000044670935 1023502550 /nfs/dbraw/zinc/50/25/50/1023502550.db2.gz FQYSQDHSCOXBEG-LLVKDONJSA-N 1 0 322.861 3.769 50 0 DHAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000108372345 1023550151 /nfs/dbraw/zinc/55/01/51/1023550151.db2.gz XNPBLQRQYDQCNS-NFAWXSAZSA-N 1 0 303.537 3.551 50 0 DHAARO Cn1c(C[N@H+](C)CCC[C@H]2CCCO2)cc2cc(F)ccc21 ZINC000216072310 1024528534 /nfs/dbraw/zinc/52/85/34/1024528534.db2.gz ORGFNWLHXNASCA-KRWDZBQOSA-N 1 0 304.409 3.708 50 0 DHAARO COCCC1CC[NH+](Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000215063827 1025082687 /nfs/dbraw/zinc/08/26/87/1025082687.db2.gz NNXGEOFYAHJHGZ-UHFFFAOYSA-N 1 0 322.518 3.592 50 0 DHAARO COc1ccc2[nH]c(C[N@H+](C)CCC3(O)CCCC3)c(C)c2c1 ZINC000216065298 1025216910 /nfs/dbraw/zinc/21/69/10/1025216910.db2.gz CZJKCWIZIANCSL-UHFFFAOYSA-N 1 0 316.445 3.612 50 0 DHAARO FC(F)(F)c1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000054991682 1025530159 /nfs/dbraw/zinc/53/01/59/1025530159.db2.gz KDFDPMQMBQJGJO-UHFFFAOYSA-N 1 0 309.287 3.724 50 0 DHAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2)on1 ZINC000052010259 1026103498 /nfs/dbraw/zinc/10/34/98/1026103498.db2.gz BNGGLLHEJSDTGP-GJZGRUSLSA-N 1 0 306.793 3.507 50 0 DHAARO Cc1ccccc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000221897614 1026103632 /nfs/dbraw/zinc/10/36/32/1026103632.db2.gz KNVIRASOVJZWID-RAXLEYEMSA-N 1 0 324.424 3.587 50 0 DHAARO Cc1c(C)c(C)c(NC(=O)[C@H]([NH3+])Cc2ccccc2)c(C)c1C ZINC000252571781 1026161551 /nfs/dbraw/zinc/16/15/51/1026161551.db2.gz YNPZLWGTAJCPTQ-GOSISDBHSA-N 1 0 310.441 3.737 50 0 DHAARO CC[C@@H](C)[NH2+]CCOc1c(C)cc(C)cc1Br ZINC000002821920 1037223900 /nfs/dbraw/zinc/22/39/00/1037223900.db2.gz OEGPLRGIOAKCIY-GFCCVEGCSA-N 1 0 300.240 3.833 50 0 DHAARO CC[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000237012031 1037857455 /nfs/dbraw/zinc/85/74/55/1037857455.db2.gz VTCYOYGSVAYASX-IRXDYDNUSA-N 1 0 316.832 3.997 50 0 DHAARO Cc1ccc(C[NH2+]Cc2ccc(CO)cc2)cc1Br ZINC000227463474 1040269832 /nfs/dbraw/zinc/26/98/32/1040269832.db2.gz SJGJFSQPOOJHLM-UHFFFAOYSA-N 1 0 320.230 3.540 50 0 DHAARO O=C(Nc1ccccc1F)N1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000257179333 1040760090 /nfs/dbraw/zinc/76/00/90/1040760090.db2.gz COEJURBTHHVXGW-HNNXBMFYSA-N 1 0 319.424 3.698 50 0 DHAARO Cc1nc([C@@H]2CC23CC[NH+](Cc2cccc(Cl)c2)CC3)no1 ZINC000257184594 1040882663 /nfs/dbraw/zinc/88/26/63/1040882663.db2.gz ISNIGGPMJGKHRC-HNNXBMFYSA-N 1 0 317.820 3.801 50 0 DHAARO CCSC[C@H](C)[N@@H+]1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095508583 185375808 /nfs/dbraw/zinc/37/58/08/185375808.db2.gz KXOPPBKWSMVEBK-ZDUSSCGKSA-N 1 0 301.459 3.576 50 0 DHAARO OCC1CC[NH+](Cc2ccccc2NCc2ccccc2)CC1 ZINC000078920717 185129248 /nfs/dbraw/zinc/12/92/48/185129248.db2.gz BYSHRGNVOKAGHR-UHFFFAOYSA-N 1 0 310.441 3.503 50 0 DHAARO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000090036324 185279087 /nfs/dbraw/zinc/27/90/87/185279087.db2.gz ZOAUPVQGLAECKL-AWEZNQCLSA-N 1 0 318.848 3.643 50 0 DHAARO C[S@](=O)c1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000090220869 185286990 /nfs/dbraw/zinc/28/69/90/185286990.db2.gz PUGUABGYFUOGDQ-MGPUTAFESA-N 1 0 305.468 3.653 50 0 DHAARO CS[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000090726019 185311282 /nfs/dbraw/zinc/31/12/82/185311282.db2.gz OEXZSQPHTPQBBX-RKDXNWHRSA-N 1 0 306.244 3.990 50 0 DHAARO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc([C@@H]4C[C@@H]4C)o3)C2)no1 ZINC000092814053 185343445 /nfs/dbraw/zinc/34/34/45/185343445.db2.gz JZLDBZJEIAQDEB-DUVNUKRYSA-N 1 0 315.417 3.549 50 0 DHAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000095402462 185354457 /nfs/dbraw/zinc/35/44/57/185354457.db2.gz SWYSHFYEMCJEEY-DOXZYTNZSA-N 1 0 316.489 3.892 50 0 DHAARO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000095419638 185359999 /nfs/dbraw/zinc/35/99/99/185359999.db2.gz ASNMCXODCAGPAH-YJYMSZOUSA-N 1 0 324.424 3.992 50 0 DHAARO COc1cc([C@H](C)[NH2+][C@H](C)C2CCOCC2)ccc1OC(C)C ZINC000095419745 185360087 /nfs/dbraw/zinc/36/00/87/185360087.db2.gz GAMVHCYTLYWFPN-CABCVRRESA-N 1 0 321.461 3.948 50 0 DHAARO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCCc3sccc32)cn1 ZINC000095420608 185360175 /nfs/dbraw/zinc/36/01/75/185360175.db2.gz GXBZOERRARGRIN-INIZCTEOSA-N 1 0 324.453 3.804 50 0 DHAARO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(SC(F)F)cc1 ZINC000095419737 185360275 /nfs/dbraw/zinc/36/02/75/185360275.db2.gz NJFKIUJRPMXIFZ-ZWNOBZJWSA-N 1 0 313.369 3.979 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc([S@@](C)=O)cc1 ZINC000095421145 185360307 /nfs/dbraw/zinc/36/03/07/185360307.db2.gz BBRREWZPCAPMSZ-PSIQCNSWSA-N 1 0 317.429 3.901 50 0 DHAARO Cc1ncsc1C[NH2+][C@H](C)Cc1nc2ccccc2s1 ZINC000095421969 185360807 /nfs/dbraw/zinc/36/08/07/185360807.db2.gz BBMYMHSUWPDQSA-SNVBAGLBSA-N 1 0 303.456 3.782 50 0 DHAARO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000095423912 185361070 /nfs/dbraw/zinc/36/10/70/185361070.db2.gz KPNPBGLPBDAABH-GDBMZVCRSA-N 1 0 318.486 3.506 50 0 DHAARO CCc1ccc(N2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000095423585 185361178 /nfs/dbraw/zinc/36/11/78/185361178.db2.gz CSDIXCZCYSQGGY-QGZVFWFLSA-N 1 0 304.503 3.703 50 0 DHAARO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(SC(F)F)cc1 ZINC000095423580 185361252 /nfs/dbraw/zinc/36/12/52/185361252.db2.gz NMHVTMVTORETAE-HZMBPMFUSA-N 1 0 319.442 3.520 50 0 DHAARO C[C@@H](C[NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 ZINC000095443044 185367077 /nfs/dbraw/zinc/36/70/77/185367077.db2.gz PLXUJAKOKODMLM-YJBOKZPZSA-N 1 0 316.420 3.949 50 0 DHAARO C[C@H]([NH2+]CCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2 ZINC000095451049 185368908 /nfs/dbraw/zinc/36/89/08/185368908.db2.gz KUTJZVFQMVZUKS-JTQLQIEISA-N 1 0 319.499 3.859 50 0 DHAARO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000095437368 185365422 /nfs/dbraw/zinc/36/54/22/185365422.db2.gz FDEOKWSOTFRMSB-AWEZNQCLSA-N 1 0 323.314 3.910 50 0 DHAARO Cc1ncsc1CC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000097011839 185397057 /nfs/dbraw/zinc/39/70/57/185397057.db2.gz FKGFIGPNXRDNCO-KRWDZBQOSA-N 1 0 315.486 3.595 50 0 DHAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000097014460 185397156 /nfs/dbraw/zinc/39/71/56/185397156.db2.gz BRSSXUUEBBKWCU-NWDGAFQWSA-N 1 0 324.387 3.564 50 0 DHAARO CCc1ccccc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000097020514 185398227 /nfs/dbraw/zinc/39/82/27/185398227.db2.gz ADQPHQZCZHHBLM-KRWDZBQOSA-N 1 0 317.477 3.881 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000097032913 185399563 /nfs/dbraw/zinc/39/95/63/185399563.db2.gz AOYHLFHFBYGRBL-WCABBAIRSA-N 1 0 303.233 3.794 50 0 DHAARO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000170621405 197793166 /nfs/dbraw/zinc/79/31/66/197793166.db2.gz MCIITRZBDQVJDK-KSSFIOAISA-N 1 0 314.404 3.825 50 0 DHAARO CCOC(=O)c1[nH]c2ccccc2c1C[N@H+](C)Cc1ccccc1 ZINC000071770010 191030184 /nfs/dbraw/zinc/03/01/84/191030184.db2.gz GVKGRJDQAMLOCR-UHFFFAOYSA-N 1 0 322.408 3.977 50 0 DHAARO COc1ccc(C[NH+]2CC(c3ccccn3)C2)c2ccccc12 ZINC000072127180 191043381 /nfs/dbraw/zinc/04/33/81/191043381.db2.gz VQODRTPEESZMOE-UHFFFAOYSA-N 1 0 304.393 3.843 50 0 DHAARO c1cc2ccc(NCC[N@@H+]3CCC[C@@H](c4ccccc4)C3)nc2[nH]1 ZINC000072168622 191067589 /nfs/dbraw/zinc/06/75/89/191067589.db2.gz KYMFNMBYIXJZIT-GOSISDBHSA-N 1 0 320.440 3.854 50 0 DHAARO C[NH+](C)[C@H](CNc1nc2c(cccc2F)o1)c1cccc(F)c1 ZINC000225592066 186280949 /nfs/dbraw/zinc/28/09/49/186280949.db2.gz WBWMOTXQWFMYMV-CQSZACIVSA-N 1 0 317.339 3.821 50 0 DHAARO Cc1cccc(C[NH2+][C@@H]2CSC[C@@H]2C)c1Br ZINC000253393511 186303847 /nfs/dbraw/zinc/30/38/47/186303847.db2.gz DYSKIDLOLXLQAJ-CMPLNLGQSA-N 1 0 300.265 3.599 50 0 DHAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000072304808 191116328 /nfs/dbraw/zinc/11/63/28/191116328.db2.gz GXKIBIGZTACJEW-OAHLLOKOSA-N 1 0 311.429 3.645 50 0 DHAARO Nc1[nH+]c2ccccc2n1CCOc1ccc2ccccc2c1 ZINC000000273040 180744603 /nfs/dbraw/zinc/74/46/03/180744603.db2.gz AGVQJKFUBSLSMA-UHFFFAOYSA-N 1 0 303.365 3.851 50 0 DHAARO C[NH+](C)CCCNc1nnc(Cc2ccccc2)c2ccccc21 ZINC000003041298 180978634 /nfs/dbraw/zinc/97/86/34/180978634.db2.gz NRVCLFHBJAVGCB-UHFFFAOYSA-N 1 0 320.440 3.584 50 0 DHAARO CC(C)CC[NH+](CCC(C)C)C[C@@H](O)COc1ccccc1 ZINC000003311793 181003848 /nfs/dbraw/zinc/00/38/48/181003848.db2.gz PLOJMSCLMUNNGN-GOSISDBHSA-N 1 0 307.478 3.821 50 0 DHAARO COc1ccc(NC(=O)C[N@H+](C)C2CCCCC2)cc1Cl ZINC000003429797 181018017 /nfs/dbraw/zinc/01/80/17/181018017.db2.gz KVKRIUMTXRCBIN-UHFFFAOYSA-N 1 0 310.825 3.552 50 0 DHAARO CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CC[NH+](C)C)O2 ZINC000003790114 181045769 /nfs/dbraw/zinc/04/57/69/181045769.db2.gz DNRCGFUTOSMVEM-IBGZPJMESA-N 1 0 319.445 3.573 50 0 DHAARO O[C@H](C[NH2+]C1CCCC1)COc1ccc(-c2ccccc2)cc1 ZINC000004643905 181131394 /nfs/dbraw/zinc/13/13/94/181131394.db2.gz PJTXCMBEHDWJMJ-LJQANCHMSA-N 1 0 311.425 3.626 50 0 DHAARO C[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004703427 181139647 /nfs/dbraw/zinc/13/96/47/181139647.db2.gz 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563933284 /nfs/dbraw/zinc/93/32/84/563933284.db2.gz NBNASDKABFTIJP-DCAQKATOSA-N 1 0 318.280 3.712 50 0 DHAARO COc1ccc(Cl)cc1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000032870693 563403321 /nfs/dbraw/zinc/40/33/21/563403321.db2.gz OWZRFNQQJWYJSP-CHWSQXEVSA-N 1 0 324.852 3.655 50 0 DHAARO Fc1cc(C[NH+]2CCCC2)ccc1Oc1ccc(Cl)nn1 ZINC000067774262 563490614 /nfs/dbraw/zinc/49/06/14/563490614.db2.gz KOXRRWLBJCUTGH-UHFFFAOYSA-N 1 0 307.756 3.657 50 0 DHAARO O=C(CN1CCCCC1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000000153366 563225342 /nfs/dbraw/zinc/22/53/42/563225342.db2.gz MNQWPAYJIRUGMP-UHFFFAOYSA-N 1 0 320.742 3.783 50 0 DHAARO [NH3+][C@@H](CCc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000000173919 563227789 /nfs/dbraw/zinc/22/77/89/563227789.db2.gz PXQCFNWBPKTEEW-HNNXBMFYSA-N 1 0 303.789 3.744 50 0 DHAARO C[NH+]1CCC(OC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000000206670 563230295 /nfs/dbraw/zinc/23/02/95/563230295.db2.gz SCPZJYUBCGVFCS-UHFFFAOYSA-N 1 0 323.392 3.562 50 0 DHAARO COc1cc(C[NH+]2CCCCCC2)cc(Br)c1O ZINC000000240973 563232789 /nfs/dbraw/zinc/23/27/89/563232789.db2.gz QJNPZXOWTYLYSZ-UHFFFAOYSA-N 1 0 314.223 3.539 50 0 DHAARO CC[NH+](CC)CCn1c(C(C)(C)C)cn2c3ccccc3nc21 ZINC000000274330 563235156 /nfs/dbraw/zinc/23/51/56/563235156.db2.gz IOMSMITUTWVOTR-UHFFFAOYSA-N 1 0 312.461 3.928 50 0 DHAARO CC1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000000292509 563236454 /nfs/dbraw/zinc/23/64/54/563236454.db2.gz HPDVLPKGPWJOJR-KRWDZBQOSA-N 1 0 322.452 3.887 50 0 DHAARO CCOc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000000316889 563240450 /nfs/dbraw/zinc/24/04/50/563240450.db2.gz YTKFWXBFVGRGTA-QGZVFWFLSA-N 1 0 316.489 3.782 50 0 DHAARO c1coc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000000350257 563243016 /nfs/dbraw/zinc/24/30/16/563243016.db2.gz OKJBRQGNLMMBIK-UHFFFAOYSA-N 1 0 324.428 3.727 50 0 DHAARO CC[NH+](CC)C[C@H](O)Cn1c2ccc(C)cc2c2c1CCCC2 ZINC000000384443 563248218 /nfs/dbraw/zinc/24/82/18/563248218.db2.gz SSFTXRODJYFAFR-INIZCTEOSA-N 1 0 314.473 3.531 50 0 DHAARO CCOCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000002178116 563301370 /nfs/dbraw/zinc/30/13/70/563301370.db2.gz PLYJITDLXYZPLV-UHFFFAOYSA-N 1 0 317.404 3.921 50 0 DHAARO O=C(c1ccc(F)c(F)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515586 563306340 /nfs/dbraw/zinc/30/63/40/563306340.db2.gz OHWGMDMVHRTKTN-UHFFFAOYSA-N 1 0 301.336 3.792 50 0 DHAARO CCC[NH+](CCC)C[C@@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000002988616 563319962 /nfs/dbraw/zinc/31/99/62/563319962.db2.gz BNJDJHFZGPHHNE-QGZVFWFLSA-N 1 0 307.478 3.980 50 0 DHAARO CCCCOc1ccccc1NC(=O)OC[C@@H]1CCCC[N@@H+]1C ZINC000003130187 563322504 /nfs/dbraw/zinc/32/25/04/563322504.db2.gz JHFFPLHBCMXGSF-HNNXBMFYSA-N 1 0 320.433 3.898 50 0 DHAARO Cc1cc2sc(NC(=O)CN3CCCCCC3)nc2c(C)c1 ZINC000005553833 563330557 /nfs/dbraw/zinc/33/05/57/563330557.db2.gz WLEQYORPIKMTMH-UHFFFAOYSA-N 1 0 317.458 3.728 50 0 DHAARO Cc1nnc([C@H](C)Nc2ccc(CC[NH+]3CCCCC3)cc2)o1 ZINC000071902554 563331150 /nfs/dbraw/zinc/33/11/50/563331150.db2.gz SZEQQESBCVGQLX-AWEZNQCLSA-N 1 0 314.433 3.580 50 0 DHAARO COc1cc2[nH+]c(N3CCC[C@H](C)C3)cc(C)c2c(OC)c1 ZINC000005744232 563331224 /nfs/dbraw/zinc/33/12/24/563331224.db2.gz HTJVSIGYOJPXIK-LBPRGKRZSA-N 1 0 300.402 3.797 50 0 DHAARO Cc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006727030 563334021 /nfs/dbraw/zinc/33/40/21/563334021.db2.gz QZYABVAYGSLVNV-UHFFFAOYSA-N 1 0 323.440 3.781 50 0 DHAARO CSC1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CCOCC1 ZINC000097371148 563336582 /nfs/dbraw/zinc/33/65/82/563336582.db2.gz UGHBILSRFILNDG-UHFFFAOYSA-N 1 0 309.450 3.574 50 0 DHAARO Cc1cccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCCC3)c1 ZINC000002974647 563345472 /nfs/dbraw/zinc/34/54/72/563345472.db2.gz ONXNSWKRWJJPEM-NRFANRHFSA-N 1 0 321.444 3.645 50 0 DHAARO C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008535064 563347432 /nfs/dbraw/zinc/34/74/32/563347432.db2.gz HEYYIYIRJMJLED-GFCCVEGCSA-N 1 0 323.795 3.529 50 0 DHAARO COc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010362549 563357047 /nfs/dbraw/zinc/35/70/47/563357047.db2.gz YXTCUESWHYWLOV-UHFFFAOYSA-N 1 0 310.397 3.543 50 0 DHAARO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229923058 563372309 /nfs/dbraw/zinc/37/23/09/563372309.db2.gz KKOOIDKFASFXOP-DGCLKSJQSA-N 1 0 324.350 3.764 50 0 DHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012982363 563376238 /nfs/dbraw/zinc/37/62/38/563376238.db2.gz FNTXRPSAGWHVRI-IBGZPJMESA-N 1 0 324.424 3.521 50 0 DHAARO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013056676 563377625 /nfs/dbraw/zinc/37/76/25/563377625.db2.gz JUEDHDJGNFBYDF-VXGBXAGGSA-N 1 0 324.852 3.573 50 0 DHAARO COc1cccc(CC[C@H]2CCC[N@H+](Cc3nccs3)C2)c1 ZINC000015064632 563406261 /nfs/dbraw/zinc/40/62/61/563406261.db2.gz FJPWZXBHXGEDPC-MRXNPFEDSA-N 1 0 316.470 3.997 50 0 DHAARO CO[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000015074624 563406551 /nfs/dbraw/zinc/40/65/51/563406551.db2.gz VKVLFNPSIXLVIJ-OAHLLOKOSA-N 1 0 300.402 3.569 50 0 DHAARO Oc1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)cc1 ZINC000015079412 563407021 /nfs/dbraw/zinc/40/70/21/563407021.db2.gz BHAVIFYDZDEGDO-QGZVFWFLSA-N 1 0 300.377 3.608 50 0 DHAARO C[N@H+](Cn1c2ccccc2oc1=O)[C@H]1CCCc2ccccc21 ZINC000032899418 563410399 /nfs/dbraw/zinc/41/03/99/563410399.db2.gz FNMMJDOTOZJGBJ-INIZCTEOSA-N 1 0 308.381 3.561 50 0 DHAARO Cc1sc2ncnc(NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)c2c1C ZINC000071954219 563415290 /nfs/dbraw/zinc/41/52/90/563415290.db2.gz PDLMYBBSGDMRDG-NWDGAFQWSA-N 1 0 318.490 3.840 50 0 DHAARO O=C(Nc1cccc2c1CCC2)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023214110 563420123 /nfs/dbraw/zinc/42/01/23/563420123.db2.gz PAZQREGESLKLPI-HNNXBMFYSA-N 1 0 312.438 3.914 50 0 DHAARO c1coc(-c2nnc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)o2)c1 ZINC000025358656 563422542 /nfs/dbraw/zinc/42/25/42/563422542.db2.gz GXGJTOAHVKMGDA-OAHLLOKOSA-N 1 0 309.369 3.537 50 0 DHAARO CCOc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000027300412 563427446 /nfs/dbraw/zinc/42/74/46/563427446.db2.gz ZLHFNJCPEHWICZ-UHFFFAOYSA-N 1 0 305.401 3.777 50 0 DHAARO Cc1ccc([C@@H](CNC(=O)C(C)C)[NH+]2CCCCCC2)cc1 ZINC000027662458 563429133 /nfs/dbraw/zinc/42/91/33/563429133.db2.gz WGEQKDFGDBCSCQ-GOSISDBHSA-N 1 0 302.462 3.684 50 0 DHAARO Cc1c2ccccc2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027664676 563429288 /nfs/dbraw/zinc/42/92/88/563429288.db2.gz OGKROKPLJGGOAA-UHFFFAOYSA-N 1 0 314.429 3.736 50 0 DHAARO CCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027662750 563429543 /nfs/dbraw/zinc/42/95/43/563429543.db2.gz JWUQMBFXAGSCQO-SFHVURJKSA-N 1 0 302.462 3.828 50 0 DHAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1C ZINC000029482390 563434506 /nfs/dbraw/zinc/43/45/06/563434506.db2.gz NMPWYYBEJKVLME-LJQANCHMSA-N 1 0 308.425 3.861 50 0 DHAARO CCc1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029483001 563434862 /nfs/dbraw/zinc/43/48/62/563434862.db2.gz LJQMCJAYLKIXIW-IBGZPJMESA-N 1 0 308.425 3.807 50 0 DHAARO c1ccc2oc([C@H]3CCC[N@@H+](CCc4ccncc4)C3)nc2c1 ZINC000029824834 563436006 /nfs/dbraw/zinc/43/60/06/563436006.db2.gz VLDDXDKGTNRGOK-INIZCTEOSA-N 1 0 307.397 3.645 50 0 DHAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000030640515 563437551 /nfs/dbraw/zinc/43/75/51/563437551.db2.gz OFFDHANEDAOFAV-AWEZNQCLSA-N 1 0 312.413 3.895 50 0 DHAARO CCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000000568120 563448149 /nfs/dbraw/zinc/44/81/49/563448149.db2.gz BHCBMINIBNBATN-VQIMIIECSA-N 1 0 313.441 3.730 50 0 DHAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(C)CC3)ccc21 ZINC000022027589 563448875 /nfs/dbraw/zinc/44/88/75/563448875.db2.gz UQYVWCKTZJOALY-UHFFFAOYSA-N 1 0 307.441 3.562 50 0 DHAARO c1ccc(C2(c3ccccc3)[C@@H]3CCC[C@@]32[NH+]2CCOCC2)cc1 ZINC000022014341 563448958 /nfs/dbraw/zinc/44/89/58/563448958.db2.gz ZAGFOAXVNHNHOL-NHCUHLMSSA-N 1 0 319.448 3.857 50 0 DHAARO C[C@@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000002686922 563448975 /nfs/dbraw/zinc/44/89/75/563448975.db2.gz MEFYHBGGTGOIRY-RDTXWAMCSA-N 1 0 319.832 3.568 50 0 DHAARO C[N@@H+]1CCCC[C@@H]1COC(=O)c1sccc1SC(F)F ZINC000072310668 563449080 /nfs/dbraw/zinc/44/90/80/563449080.db2.gz PLFNVKBNNCNOCG-SECBINFHSA-N 1 0 321.414 3.704 50 0 DHAARO Clc1ccc(C[NH2+]CCCOc2ccccn2)cc1Cl ZINC000035287338 563452408 /nfs/dbraw/zinc/45/24/08/563452408.db2.gz JYAJMIDCKAZLAV-UHFFFAOYSA-N 1 0 311.212 3.947 50 0 DHAARO CC(C)[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000037031194 563458082 /nfs/dbraw/zinc/45/80/82/563458082.db2.gz FHQXRTLBKQJZHF-YOEHRIQHSA-N 1 0 302.443 3.652 50 0 DHAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000007984374 563460868 /nfs/dbraw/zinc/46/08/68/563460868.db2.gz UZGYTWUPCGXNQM-QLFBSQMISA-N 1 0 304.434 3.581 50 0 DHAARO CCC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000033028943 563468067 /nfs/dbraw/zinc/46/80/67/563468067.db2.gz IHXACGYPPGLOPZ-WOJBJXKFSA-N 1 0 324.468 3.989 50 0 DHAARO CC(C)N(C(=O)[C@@H](C)N(C)Cc1ccccc1Cl)C(C)C ZINC000071920735 563469951 /nfs/dbraw/zinc/46/99/51/563469951.db2.gz CQXAVYFEJWXMED-CQSZACIVSA-N 1 0 310.869 3.806 50 0 DHAARO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1ccccc1OCCO ZINC000055054158 563470719 /nfs/dbraw/zinc/47/07/19/563470719.db2.gz VWXMUAOGVDTOGB-INIZCTEOSA-N 1 0 317.429 3.697 50 0 DHAARO Fc1ccc(N2CC[NH+](C3=Cc4ccccc4CC3)CC2)cc1 ZINC000055145578 563471912 /nfs/dbraw/zinc/47/19/12/563471912.db2.gz LESMTWWZRASXEU-UHFFFAOYSA-N 1 0 308.400 3.935 50 0 DHAARO Cc1cccc(-c2noc(CN(C)C/C=C/c3ccco3)n2)c1 ZINC000055254427 563472616 /nfs/dbraw/zinc/47/26/16/563472616.db2.gz PSQZSWIASUUQIB-XBXARRHUSA-N 1 0 309.369 3.783 50 0 DHAARO CC(=O)Oc1c(C)cc(CN(C)[C@H](C)c2nccs2)cc1C ZINC000055371290 563474793 /nfs/dbraw/zinc/47/47/93/563474793.db2.gz HVWOBEMLXNWSBK-CYBMUJFWSA-N 1 0 318.442 3.878 50 0 DHAARO Cc1cccc(-c2noc(CN3CCC[C@H]3c3ccc[nH]3)n2)c1 ZINC000058341254 563478810 /nfs/dbraw/zinc/47/88/10/563478810.db2.gz CFMVLOPCRXCFIY-INIZCTEOSA-N 1 0 308.385 3.710 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)c1cc(F)c(C)cc1F ZINC000096482515 563484281 /nfs/dbraw/zinc/48/42/81/563484281.db2.gz RGZIUZJBQSHLFL-UHFFFAOYSA-N 1 0 304.340 3.635 50 0 DHAARO CC(C)C[C@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@@]1(C)O ZINC000067724649 563489535 /nfs/dbraw/zinc/48/95/35/563489535.db2.gz OOUMWTSJSCLEGN-AZUAARDMSA-N 1 0 312.457 3.854 50 0 DHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000067909771 563493068 /nfs/dbraw/zinc/49/30/68/563493068.db2.gz WMRFOHYNXIFXAE-OAHLLOKOSA-N 1 0 312.373 3.612 50 0 DHAARO COc1ccc(Oc2ncccc2F)cc1C[NH+]1CCCC1 ZINC000071278628 563498523 /nfs/dbraw/zinc/49/85/23/563498523.db2.gz LQTOFDCRPGHIBJ-UHFFFAOYSA-N 1 0 302.349 3.617 50 0 DHAARO CC(C)c1nc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)cs1 ZINC000097033769 563504342 /nfs/dbraw/zinc/50/43/42/563504342.db2.gz QTPRWRVHEOCYGA-LLVKDONJSA-N 1 0 317.449 3.647 50 0 DHAARO CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000076016702 563505662 /nfs/dbraw/zinc/50/56/62/563505662.db2.gz JDXJURDSNSODOB-GOSISDBHSA-N 1 0 321.367 3.575 50 0 DHAARO Fc1ccc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)c(F)c1 ZINC000077376935 563509450 /nfs/dbraw/zinc/50/94/50/563509450.db2.gz SFPBDOPRQBMWCU-INIZCTEOSA-N 1 0 305.372 3.606 50 0 DHAARO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000077537788 563511919 /nfs/dbraw/zinc/51/19/19/563511919.db2.gz WOYYHILBXKWTAD-QFBILLFUSA-N 1 0 321.424 3.521 50 0 DHAARO Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(-c2nc[nH]n2)c1 ZINC000097230749 563514061 /nfs/dbraw/zinc/51/40/61/563514061.db2.gz MBHLHNKJWUQDCY-GOSISDBHSA-N 1 0 322.387 3.778 50 0 DHAARO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C2CCCCC2)s1 ZINC000097475124 563539732 /nfs/dbraw/zinc/53/97/32/563539732.db2.gz YEWCGULFWNGALF-INIZCTEOSA-N 1 0 320.502 3.896 50 0 DHAARO Cc1ccc(-c2ccc(C[NH+]3CCC(c4nnc[nH]4)CC3)cc2)o1 ZINC000097675471 563540918 /nfs/dbraw/zinc/54/09/18/563540918.db2.gz GVIISFPXCIUPPV-UHFFFAOYSA-N 1 0 322.412 3.753 50 0 DHAARO Cc1cc(C)n(-c2cccc(C[N@H+](C)Cc3c(C)noc3C)c2)n1 ZINC000097636629 563541295 /nfs/dbraw/zinc/54/12/95/563541295.db2.gz PRJQAOKEPPLFFV-UHFFFAOYSA-N 1 0 324.428 3.726 50 0 DHAARO c1ccc2c(c1)Cc1cc(CN3CC[C@H]([NH+]4CCCC4)C3)ccc1-2 ZINC000097618967 563541330 /nfs/dbraw/zinc/54/13/30/563541330.db2.gz XBEPMQNVHRSOPK-FQEVSTJZSA-N 1 0 318.464 3.928 50 0 DHAARO Clc1cc(Br)ccc1OCCC[NH2+]C1CC1 ZINC000020524976 563563903 /nfs/dbraw/zinc/56/39/03/563563903.db2.gz VQIXJAPQBZJHDP-UHFFFAOYSA-N 1 0 304.615 3.623 50 0 DHAARO CC(C)CC[N@H+](C)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000000261553 563582937 /nfs/dbraw/zinc/58/29/37/563582937.db2.gz OUBDLCCNLFECAL-UHFFFAOYSA-N 1 0 303.450 3.661 50 0 DHAARO COc1cc(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1O ZINC000129924140 563606246 /nfs/dbraw/zinc/60/62/46/563606246.db2.gz JTVQGSKMFZZMQS-OLZOCXBDSA-N 1 0 317.351 3.654 50 0 DHAARO Cc1cccc(NC(=O)CN2CC[C@@H](C(F)(F)F)C2(C)C)c1 ZINC000252550135 563610646 /nfs/dbraw/zinc/61/06/46/563610646.db2.gz SAJTUORGUUSSOJ-CYBMUJFWSA-N 1 0 314.351 3.596 50 0 DHAARO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000079949731 563617995 /nfs/dbraw/zinc/61/79/95/563617995.db2.gz AMRCHEXOZFYEQS-STQMWFEESA-N 1 0 308.853 3.590 50 0 DHAARO CC1CC[NH+](CCOCCOc2cccc3ccccc32)CC1 ZINC000008752940 563625724 /nfs/dbraw/zinc/62/57/24/563625724.db2.gz RZOVEPHYOUYLTG-UHFFFAOYSA-N 1 0 313.441 3.967 50 0 DHAARO Cc1ccc(-c2c[n+](Cc3ccc(F)cc3)c3n2CCC3)cc1 ZINC000017249601 563626896 /nfs/dbraw/zinc/62/68/96/563626896.db2.gz MUZMIEFUIMOAHA-UHFFFAOYSA-N 1 0 307.392 3.885 50 0 DHAARO C[N@@H+](Cc1csc(-c2ncccn2)n1)CC1CCCCC1 ZINC000051201692 563666756 /nfs/dbraw/zinc/66/67/56/563666756.db2.gz VKVAOUSVFABWFF-UHFFFAOYSA-N 1 0 302.447 3.612 50 0 DHAARO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccccn1)c1ccco1 ZINC000108105052 563686771 /nfs/dbraw/zinc/68/67/71/563686771.db2.gz RALQCDQKKYIZEJ-DLBZAZTESA-N 1 0 300.402 3.543 50 0 DHAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C)s2)cc1 ZINC000044949402 563687091 /nfs/dbraw/zinc/68/70/91/563687091.db2.gz MGQUNUMABHCSLA-UHFFFAOYSA-N 1 0 313.426 3.745 50 0 DHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CC(C)(C)C ZINC000108336742 563688272 /nfs/dbraw/zinc/68/82/72/563688272.db2.gz RLPJXNQNQYXKHE-DOTOQJQBSA-N 1 0 300.446 3.566 50 0 DHAARO COc1ccc2ccccc2c1C[NH2+]C1CCN(C2CC2)CC1 ZINC000048354754 563697527 /nfs/dbraw/zinc/69/75/27/563697527.db2.gz AZFUOZYYCZHKHT-UHFFFAOYSA-N 1 0 310.441 3.565 50 0 DHAARO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000048769185 563699705 /nfs/dbraw/zinc/69/97/05/563699705.db2.gz WBRWGWKZGUGRLC-NSHDSACASA-N 1 0 316.232 3.599 50 0 DHAARO C[N@H+](CCC[C@@H]1CCCO1)Cc1ccccc1OC(F)(F)F ZINC000215262648 563704138 /nfs/dbraw/zinc/70/41/38/563704138.db2.gz BFLFUHAWWCSMBS-CQSZACIVSA-N 1 0 317.351 3.976 50 0 DHAARO COC[C@@H](c1ccccn1)N(C)Cc1oc2ccccc2c1C ZINC000215452340 563705358 /nfs/dbraw/zinc/70/53/58/563705358.db2.gz UWBZUEIXDZZILZ-KRWDZBQOSA-N 1 0 310.397 3.956 50 0 DHAARO Cc1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c2cccnc12 ZINC000215471505 563705827 /nfs/dbraw/zinc/70/58/27/563705827.db2.gz YYCIUTCPWKBZDF-QGZVFWFLSA-N 1 0 320.440 3.656 50 0 DHAARO C[N@H+](Cc1ccc2cccc(Cl)c2n1)[C@@H]1CCCC[C@@H]1O ZINC000215564920 563706174 /nfs/dbraw/zinc/70/61/74/563706174.db2.gz PABTZNOCMSNUHH-CVEARBPZSA-N 1 0 304.821 3.624 50 0 DHAARO CCOc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](COC)C3)o2)cc1 ZINC000215734549 563706958 /nfs/dbraw/zinc/70/69/58/563706958.db2.gz FGZGADQLFROULV-OAHLLOKOSA-N 1 0 315.413 3.814 50 0 DHAARO Fc1cc(Cl)cc(C[NH+]2CCC(CCn3cccn3)CC2)c1 ZINC000216178234 563708049 /nfs/dbraw/zinc/70/80/49/563708049.db2.gz CHSKOWSPRJRRLN-UHFFFAOYSA-N 1 0 321.827 3.978 50 0 DHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccsc1 ZINC000216346895 563709120 /nfs/dbraw/zinc/70/91/20/563709120.db2.gz JLTNRBBPRXLELE-QGZVFWFLSA-N 1 0 314.454 3.705 50 0 DHAARO C[N@@H+]1CCCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000008178092 563719804 /nfs/dbraw/zinc/71/98/04/563719804.db2.gz FBGSWTQHRQBART-UHFFFAOYSA-N 1 0 324.453 3.500 50 0 DHAARO CC[C@@H](C(=O)N1CCC[C@H](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000225802337 563763953 /nfs/dbraw/zinc/76/39/53/563763953.db2.gz FNQHQBXDKHTKCX-WMZOPIPTSA-N 1 0 302.462 3.546 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+]C(C)(C)C)c2c1cccc2Cl ZINC000012421917 563774409 /nfs/dbraw/zinc/77/44/09/563774409.db2.gz RVYFDHOEULQXRL-CYBMUJFWSA-N 1 0 308.853 3.661 50 0 DHAARO [NH3+]CCCCCCC(=O)Nc1scnc1-c1ccccc1 ZINC000238003701 563775114 /nfs/dbraw/zinc/77/51/14/563775114.db2.gz QFJWTNSFMPQUMH-UHFFFAOYSA-N 1 0 303.431 3.658 50 0 DHAARO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cccs1 ZINC000242147477 563778012 /nfs/dbraw/zinc/77/80/12/563778012.db2.gz WSEDRQJRUUTJDV-CQSZACIVSA-N 1 0 310.850 3.646 50 0 DHAARO C[C@@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000244633392 563778852 /nfs/dbraw/zinc/77/88/52/563778852.db2.gz GCEJDZIRDXWIGJ-ZDUSSCGKSA-N 1 0 317.820 3.757 50 0 DHAARO CC[C@H](C)[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248245774 563782633 /nfs/dbraw/zinc/78/26/33/563782633.db2.gz QJICGVVCXBPWBW-INIZCTEOSA-N 1 0 320.440 3.882 50 0 DHAARO Cc1c[nH]c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(C)c1=O ZINC000253536030 563784523 /nfs/dbraw/zinc/78/45/23/563784523.db2.gz DPVAXLIJYSLMGP-KRWDZBQOSA-N 1 0 300.377 3.880 50 0 DHAARO Cc1[nH+]c(N)nc(N)c1/C=C\[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000211039160 563785236 /nfs/dbraw/zinc/78/52/36/563785236.db2.gz KXBLWJBWPHUIPI-CHDHTGKKSA-N 1 0 322.334 3.785 50 0 DHAARO OCCC[C@H]1CCC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000052759525 563793954 /nfs/dbraw/zinc/79/39/54/563793954.db2.gz AFDLODLWSPKQBW-OAHLLOKOSA-N 1 0 304.821 3.625 50 0 DHAARO COc1ccc(-c2nnc([C@H](C)[NH+]3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000052804399 563808040 /nfs/dbraw/zinc/80/80/40/563808040.db2.gz QCBYCAKLDSMCBZ-IHRRRGAJSA-N 1 0 315.417 3.784 50 0 DHAARO CC[NH+](CC)CCn1c2ccccc2n2cc(C(C)(C)C)nc21 ZINC000001237022 563809074 /nfs/dbraw/zinc/80/90/74/563809074.db2.gz LMESSURCIQLYCJ-UHFFFAOYSA-N 1 0 312.461 3.928 50 0 DHAARO CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccccn1 ZINC000084131218 563823633 /nfs/dbraw/zinc/82/36/33/563823633.db2.gz XMAZGNJJDOEIJH-GOSISDBHSA-N 1 0 306.413 3.788 50 0 DHAARO Cc1ccccc1[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)C1CC1 ZINC000084234909 563825454 /nfs/dbraw/zinc/82/54/54/563825454.db2.gz BYFYPWOTIFWCAB-SIKLNZKXSA-N 1 0 313.466 3.973 50 0 DHAARO C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1 ZINC000084647771 563828840 /nfs/dbraw/zinc/82/88/40/563828840.db2.gz HFGYAZRIBYBFQD-AAEUAGOBSA-N 1 0 307.800 3.904 50 0 DHAARO CC[C@H]([NH2+]C1CCC(O)CC1)c1ccccc1Br ZINC000090799941 563876068 /nfs/dbraw/zinc/87/60/68/563876068.db2.gz PLPVAJDXMFRYNJ-QOZQQMKHSA-N 1 0 312.251 3.793 50 0 DHAARO C[C@H](C(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239377912 563879954 /nfs/dbraw/zinc/87/99/54/563879954.db2.gz OECUEFNXBZEQOJ-ILXRZTDVSA-N 1 0 304.409 3.665 50 0 DHAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000242273554 563880958 /nfs/dbraw/zinc/88/09/58/563880958.db2.gz YDQZGRCFHHXKIA-NSHGMRRFSA-N 1 0 321.420 3.681 50 0 DHAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000242273553 563881043 /nfs/dbraw/zinc/88/10/43/563881043.db2.gz YDQZGRCFHHXKIA-NLWGTHIKSA-N 1 0 321.420 3.681 50 0 DHAARO CC(=O)Nc1ccccc1C[NH+]1CCC(Nc2ccccc2)CC1 ZINC000092164503 563882008 /nfs/dbraw/zinc/88/20/08/563882008.db2.gz XOQGQPLDQJPRLK-UHFFFAOYSA-N 1 0 323.440 3.722 50 0 DHAARO CCC[N@@H+](Cc1ccccc1C)C[C@H](O)COc1ccccc1 ZINC000036099944 563893809 /nfs/dbraw/zinc/89/38/09/563893809.db2.gz FJRFVGNYKPLRGX-IBGZPJMESA-N 1 0 313.441 3.647 50 0 DHAARO C[NH+](C)C1(CNC(=O)c2ccc(-c3ccccc3)cc2)CCCC1 ZINC000036397353 563898753 /nfs/dbraw/zinc/89/87/53/563898753.db2.gz HXSOCHHSAISNDP-UHFFFAOYSA-N 1 0 322.452 3.958 50 0 DHAARO O[C@@H](C[NH2+]C1CCCCCC1)COCc1ccc(Cl)cc1 ZINC000006937348 563900087 /nfs/dbraw/zinc/90/00/87/563900087.db2.gz VDUBQYXWVHZJPG-KRWDZBQOSA-N 1 0 311.853 3.530 50 0 DHAARO CCC[NH+](CCC)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000006937394 563900178 /nfs/dbraw/zinc/90/01/78/563900178.db2.gz KMRCGKPATBIVGO-MJGOQNOKSA-N 1 0 305.462 3.564 50 0 DHAARO Cc1c2cccc(Cl)c2oc1C(=O)N(CC[NH+](C)C)C1CC1 ZINC000170599114 563907422 /nfs/dbraw/zinc/90/74/22/563907422.db2.gz INVUXQPXIDCGMY-UHFFFAOYSA-N 1 0 320.820 3.561 50 0 DHAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000070978571 563908949 /nfs/dbraw/zinc/90/89/49/563908949.db2.gz XNGVBLNVCRQEEM-QGZVFWFLSA-N 1 0 303.427 3.733 50 0 DHAARO CC[C@H](c1ccc(Br)cc1)[N@H+](C)Cc1cnccn1 ZINC000089947795 563912593 /nfs/dbraw/zinc/91/25/93/563912593.db2.gz UNJJQHPFGLAOPV-OAHLLOKOSA-N 1 0 320.234 3.822 50 0 DHAARO Cc1cc(Br)cc(C)c1OCCCC[NH+](C)C ZINC000002823483 563913088 /nfs/dbraw/zinc/91/30/88/563913088.db2.gz WTJDIXPHKATLQB-UHFFFAOYSA-N 1 0 300.240 3.787 50 0 DHAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC000252477757 563915822 /nfs/dbraw/zinc/91/58/22/563915822.db2.gz VCEGBPKEJZPIMG-KIQACKJLSA-N 1 0 321.530 3.925 50 0 DHAARO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000079949735 563915861 /nfs/dbraw/zinc/91/58/61/563915861.db2.gz AMRCHEXOZFYEQS-QWHCGFSZSA-N 1 0 308.853 3.590 50 0 DHAARO CC(C)[C@@H]([NH2+]CCSC(C)(C)C)c1nnc2ccccn21 ZINC000252491809 563916191 /nfs/dbraw/zinc/91/61/91/563916191.db2.gz LTRYPENVJNSGGR-CQSZACIVSA-N 1 0 306.479 3.548 50 0 DHAARO CC[C@@H](C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1 ZINC000252509893 563916446 /nfs/dbraw/zinc/91/64/46/563916446.db2.gz YXPUPCSYOJCSCG-LJQANCHMSA-N 1 0 324.424 3.645 50 0 DHAARO C[C@@H]1CC([NH2+]C[C@@H]2CCCC[C@H]2OCC(F)(F)F)C[C@@H](C)O1 ZINC000252511219 563916497 /nfs/dbraw/zinc/91/64/97/563916497.db2.gz FBLSKQUVMNXLMI-GUIRCDHDSA-N 1 0 323.399 3.670 50 0 DHAARO C/C=C/c1ccc(OCCOCC[NH2+]C2CCCC2)c(OC)c1 ZINC000002191199 563917084 /nfs/dbraw/zinc/91/70/84/563917084.db2.gz DGIJXXIRCQKQTN-ZZXKWVIFSA-N 1 0 319.445 3.656 50 0 DHAARO CSc1nnc(CN2CCC[C@@H]2CCc2ccccc2)s1 ZINC000065950924 563918511 /nfs/dbraw/zinc/91/85/11/563918511.db2.gz CCTUSPHDFQGYBF-CQSZACIVSA-N 1 0 319.499 3.857 50 0 DHAARO CCOc1ccc(C(C)=O)cc1CSC1=[NH+]CC(C)(C)CN1 ZINC000007760103 563918876 /nfs/dbraw/zinc/91/88/76/563918876.db2.gz DDQJUZURQGHAAQ-UHFFFAOYSA-N 1 0 320.458 3.507 50 0 DHAARO [NH3+]Cc1ccc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)o1 ZINC000195543350 563919698 /nfs/dbraw/zinc/91/96/98/563919698.db2.gz WYKDGKNBWAJDEV-UHFFFAOYSA-N 1 0 318.376 3.608 50 0 DHAARO CC(=O)NC1CCC([NH2+][C@H]2C[C@H]3CCCc4cccc2c43)CC1 ZINC000195565180 563919784 /nfs/dbraw/zinc/91/97/84/563919784.db2.gz QCSOGBZFFMJRGN-JIZBTBOESA-N 1 0 312.457 3.588 50 0 DHAARO COc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nc[nH]n3)c2)cc1C ZINC000195558155 563919826 /nfs/dbraw/zinc/91/98/26/563919826.db2.gz MIHPPDXVDXIBCM-CQSZACIVSA-N 1 0 322.412 3.640 50 0 DHAARO O=[n+]1c2c(n(O)c(-c3ccccc3)c1-c1ccccc1)CCCC2 ZINC000136501217 563924322 /nfs/dbraw/zinc/92/43/22/563924322.db2.gz ZFTDYHLTTKMSCW-UHFFFAOYSA-N 1 0 319.384 3.853 50 0 DHAARO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000225443963 563928224 /nfs/dbraw/zinc/92/82/24/563928224.db2.gz SDJLWMHAPFDCMV-YVEFUNNKSA-N 1 0 318.367 3.574 50 0 DHAARO Cc1ccccc1[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000225444191 563928229 /nfs/dbraw/zinc/92/82/29/563928229.db2.gz WEABRRZHMVYCHS-MOPGFXCFSA-N 1 0 308.425 3.749 50 0 DHAARO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)c1C ZINC000225475185 563928552 /nfs/dbraw/zinc/92/85/52/563928552.db2.gz WWZPNJBXEYRSQV-MEDUHNTESA-N 1 0 317.408 3.833 50 0 DHAARO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000012809940 563928934 /nfs/dbraw/zinc/92/89/34/563928934.db2.gz HHWGKKRJFHZDRY-GRDNDAEWSA-N 1 0 304.434 3.581 50 0 DHAARO CC[NH+](CC)C/C=C/[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000012858692 563928953 /nfs/dbraw/zinc/92/89/53/563928953.db2.gz ADHKCODGMUMRPH-HCWHUNCVSA-N 1 0 316.445 3.686 50 0 DHAARO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc2ccccc2c1 ZINC000095956260 563932326 /nfs/dbraw/zinc/93/23/26/563932326.db2.gz ZWMFDGVWJDSXMR-SFHVURJKSA-N 1 0 304.393 3.695 50 0 DHAARO FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000095982161 563933957 /nfs/dbraw/zinc/93/39/57/563933957.db2.gz RSWWXFCLNFZALM-ZFWWWQNUSA-N 1 0 309.335 3.854 50 0 DHAARO COc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)c3ccsc3)oc21 ZINC000095987936 563934075 /nfs/dbraw/zinc/93/40/75/563934075.db2.gz ZQAYESOMJXWIAK-RISCZKNCSA-N 1 0 317.410 3.887 50 0 DHAARO CCc1c(C)[nH+]c2ccccc2c1N1CCC(n2cncn2)CC1 ZINC000095993841 563934423 /nfs/dbraw/zinc/93/44/23/563934423.db2.gz GVAQVCIPRBCOKP-UHFFFAOYSA-N 1 0 321.428 3.539 50 0 DHAARO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000096012961 563934855 /nfs/dbraw/zinc/93/48/55/563934855.db2.gz NAODRTDKUWYMRL-NXHRZFHOSA-N 1 0 320.521 3.924 50 0 DHAARO CC(C)CC[NH2+]CCCOc1ccccc1Br ZINC000096026817 563935067 /nfs/dbraw/zinc/93/50/67/563935067.db2.gz LUZJTWJNUNMBSF-UHFFFAOYSA-N 1 0 300.240 3.854 50 0 DHAARO Cc1n[nH]cc1CCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000096473018 563937227 /nfs/dbraw/zinc/93/72/27/563937227.db2.gz MOEMIPRMLKISSG-UHFFFAOYSA-N 1 0 314.820 3.642 50 0 DHAARO CCc1ccsc1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000096479221 563937392 /nfs/dbraw/zinc/93/73/92/563937392.db2.gz XXFCVBOWKNWSQX-MPBGBICISA-N 1 0 307.484 3.899 50 0 DHAARO Cn1cc(C[NH2+]Cc2cccnc2)c(-c2cc3ccccc3o2)n1 ZINC000097159733 563937728 /nfs/dbraw/zinc/93/77/28/563937728.db2.gz YKQXNTIUFYDOQQ-UHFFFAOYSA-N 1 0 318.380 3.518 50 0 DHAARO Fc1ccc(C2CC([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)C2)cc1 ZINC000097084850 563937882 /nfs/dbraw/zinc/93/78/82/563937882.db2.gz XNCHQZOMGUYQMN-XYQBIQKZSA-N 1 0 321.461 3.716 50 0 DHAARO O[C@@]12CCCC[C@H]1[C@H](c1c(Cl)cccc1Cl)[NH2+]CC2 ZINC000230041928 563940372 /nfs/dbraw/zinc/94/03/72/563940372.db2.gz ADCRKOWUVHTZCP-COLVAYQJSA-N 1 0 300.229 3.949 50 0 DHAARO Cc1ccc(OCC[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000058176924 563943983 /nfs/dbraw/zinc/94/39/83/563943983.db2.gz JLWVSQHXPLJIJI-UHFFFAOYSA-N 1 0 310.441 3.504 50 0 DHAARO Cc1nnc(C[NH+](CCc2ccccc2)CCc2ccccc2)o1 ZINC000066862459 563948027 /nfs/dbraw/zinc/94/80/27/563948027.db2.gz PLZUGEMZJKSOGW-UHFFFAOYSA-N 1 0 321.424 3.665 50 0 DHAARO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008705910 563950070 /nfs/dbraw/zinc/95/00/70/563950070.db2.gz IULCFIYEUULYKI-KRWDZBQOSA-N 1 0 322.452 3.968 50 0 DHAARO C[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)[C@@H](C)n1cccn1 ZINC000069372521 563952655 /nfs/dbraw/zinc/95/26/55/563952655.db2.gz YXEKXFUUSREJKH-VXGBXAGGSA-N 1 0 318.471 3.807 50 0 DHAARO CCC[NH+]1CCC(N(C)C(=O)c2cccc3ccccc32)CC1 ZINC000069583848 563953714 /nfs/dbraw/zinc/95/37/14/563953714.db2.gz GUORAFQMJGLORN-UHFFFAOYSA-N 1 0 310.441 3.786 50 0 DHAARO Cc1ccc2c(c1)[C@H](c1ccccc1)[C@H]([NH+]1CCCCC1)C(=O)N2 ZINC000009186563 563953892 /nfs/dbraw/zinc/95/38/92/563953892.db2.gz QEGHIXFHUNLHMD-PMACEKPBSA-N 1 0 320.436 3.934 50 0 DHAARO Cc1cc(C)n2cc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)nc2n1 ZINC000009516884 563956556 /nfs/dbraw/zinc/95/65/56/563956556.db2.gz GQUVGQLONIBHFN-LJQANCHMSA-N 1 0 320.440 3.856 50 0 DHAARO Oc1cccc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)c1 ZINC000071851002 563959201 /nfs/dbraw/zinc/95/92/01/563959201.db2.gz NDIOYWVPPUFNPN-UHFFFAOYSA-N 1 0 306.365 3.869 50 0 DHAARO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000071844056 563959208 /nfs/dbraw/zinc/95/92/08/563959208.db2.gz DFRMMUMHXXUGPK-ZWOKBUDYSA-N 1 0 322.452 3.742 50 0 DHAARO Cc1cc(NC2CCC(O)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077165129 563960698 /nfs/dbraw/zinc/96/06/98/563960698.db2.gz NATLUXDESUIJEJ-UHFFFAOYSA-N 1 0 322.355 3.860 50 0 DHAARO C[C@@H](Sc1nc(N)cc(N)[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000078480830 563960978 /nfs/dbraw/zinc/96/09/78/563960978.db2.gz XLFBHXSMODHARP-SSDOTTSWSA-N 1 0 314.336 3.513 50 0 DHAARO Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000097095246 568413534 /nfs/dbraw/zinc/41/35/34/568413534.db2.gz UABMCAFNKFCCLR-HIFRSBDPSA-N 1 0 321.852 3.596 50 0 DHAARO Fc1ccccc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000002497424 1014771944 /nfs/dbraw/zinc/77/19/44/1014771944.db2.gz QOPUABSSWKWSMN-UHFFFAOYSA-N 1 0 312.432 3.622 50 0 DHAARO CC1(C)CC(n2cnc3c(Cl)cccc3c2=O)CC(C)(C)[NH2+]1 ZINC000044629111 1032360798 /nfs/dbraw/zinc/36/07/98/1032360798.db2.gz WGDWFIOYLLGWSJ-UHFFFAOYSA-N 1 0 319.836 3.532 50 0 DHAARO CCC[C@@]1(CO)CC[N@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000952846113 1032664472 /nfs/dbraw/zinc/66/44/72/1032664472.db2.gz CMVVDUPGNCTHOK-LJQANCHMSA-N 1 0 300.446 3.769 50 0 DHAARO COCCC[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000952870045 1032668976 /nfs/dbraw/zinc/66/89/76/1032668976.db2.gz QQDVRWFPTSIPGO-QGZVFWFLSA-N 1 0 314.429 3.722 50 0 DHAARO CC(C)/C=C(\C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC000952974203 1032674012 /nfs/dbraw/zinc/67/40/12/1032674012.db2.gz TUDKAYYYJXDBBV-AMRJIULGSA-N 1 0 314.473 3.704 50 0 DHAARO [NH3+][C@H]1CCC[C@@H](c2nc(-c3ccco3)nn2Cc2ccccc2)C1 ZINC000952972784 1032676190 /nfs/dbraw/zinc/67/61/90/1032676190.db2.gz GRVKSDCSZZRXFE-CVEARBPZSA-N 1 0 322.412 3.571 50 0 DHAARO COc1ccc2[nH]c(=O)c(C[NH2+][C@H](C)C3=CCCCC3)cc2c1 ZINC000952990366 1032684894 /nfs/dbraw/zinc/68/48/94/1032684894.db2.gz XXHDFCZKOIVQPE-CYBMUJFWSA-N 1 0 312.413 3.928 50 0 DHAARO CC[N@H+](C)CCN(C)C(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000952989623 1032685075 /nfs/dbraw/zinc/68/50/75/1032685075.db2.gz RLWLUGLTGDNWQA-UHFFFAOYSA-N 1 0 314.404 3.516 50 0 DHAARO C[C@H]([NH2+]CCCc1cccc(Br)c1)c1cnccn1 ZINC000089555551 1032747559 /nfs/dbraw/zinc/74/75/59/1032747559.db2.gz ZQODFQIXOSKPBW-LBPRGKRZSA-N 1 0 320.234 3.523 50 0 DHAARO CCc1oc2ccccc2c1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000252493446 1019303106 /nfs/dbraw/zinc/30/31/06/1019303106.db2.gz NCFQNYMCZJEZSO-UHFFFAOYSA-N 1 0 314.429 3.553 50 0 DHAARO C/C=C\CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000606443350 1019543633 /nfs/dbraw/zinc/54/36/33/1019543633.db2.gz UCHKJMPOTZRYGG-ZRUQZJFASA-N 1 0 308.853 3.633 50 0 DHAARO CCN(Cc1nc(-c2ccccc2F)oc1C)C[C@@H]1CCCO1 ZINC000012575629 1019966451 /nfs/dbraw/zinc/96/64/51/1019966451.db2.gz JZJUVJXYXJVUCG-AWEZNQCLSA-N 1 0 318.392 3.790 50 0 DHAARO CC(C)Cc1ccc(C[N@H+]2Cc3ccccc3[C@H](O)C2)s1 ZINC000821459960 1020250953 /nfs/dbraw/zinc/25/09/53/1020250953.db2.gz SDKZCEYOIQVUOA-GOSISDBHSA-N 1 0 301.455 3.996 50 0 DHAARO OC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000023282147 1020481441 /nfs/dbraw/zinc/48/14/41/1020481441.db2.gz LELGVJCIZLNGLW-LJQANCHMSA-N 1 0 311.425 3.612 50 0 DHAARO Cc1ccccc1CN1CC[C@H]([NH+]2CCC(C)CC2)CCC1=O ZINC000012456697 1020616243 /nfs/dbraw/zinc/61/62/43/1020616243.db2.gz IYJMILOJPKHHEQ-LJQANCHMSA-N 1 0 314.473 3.608 50 0 DHAARO O=C1OCc2ccc(-c3ccc(C[N@H+]4C[C@@H]5CC[C@@H](C5)C4)o3)cc21 ZINC000828323564 1020827297 /nfs/dbraw/zinc/82/72/97/1020827297.db2.gz MNMWSYQFPFRCGV-OKILXGFUSA-N 1 0 323.392 3.849 50 0 DHAARO COc1cccc(C[N@@H+]2CC[C@H](n3c(C)cnc3C3CC3)C2)c1 ZINC000575550322 1020976258 /nfs/dbraw/zinc/97/62/58/1020976258.db2.gz VGIJVUYYDRNWNQ-KRWDZBQOSA-N 1 0 311.429 3.525 50 0 DHAARO COc1ccc2c(c1)Sc1ccccc1N2CC[NH+](C)C ZINC000000114619 1021047185 /nfs/dbraw/zinc/04/71/85/1021047185.db2.gz PUVZZTMYSZJISL-UHFFFAOYSA-N 1 0 300.427 3.860 50 0 DHAARO CC[NH+](CC)CCN(C)c1cc(C)c2ccc(Cl)cc2n1 ZINC000023634752 1021125358 /nfs/dbraw/zinc/12/53/58/1021125358.db2.gz WBQCJSGLITXPJE-UHFFFAOYSA-N 1 0 305.853 3.975 50 0 DHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)c2cccs2)CC1 ZINC000581788006 1021834625 /nfs/dbraw/zinc/83/46/25/1021834625.db2.gz NUZAXEPGTVXCCR-MRXNPFEDSA-N 1 0 320.502 3.865 50 0 DHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3CCCC3)CC2)CC1 ZINC000581787988 1021835924 /nfs/dbraw/zinc/83/59/24/1021835924.db2.gz MZQQONGPTHGYHO-QGZVFWFLSA-N 1 0 306.494 3.537 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000581808571 1021850709 /nfs/dbraw/zinc/85/07/09/1021850709.db2.gz BVUQOZHTSCGMTE-UHFFFAOYSA-N 1 0 323.440 3.855 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000581806760 1021851191 /nfs/dbraw/zinc/85/11/91/1021851191.db2.gz XKUJPHLRPDEMCC-HNNXBMFYSA-N 1 0 315.442 3.608 50 0 DHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000257177767 1022189672 /nfs/dbraw/zinc/18/96/72/1022189672.db2.gz BIMQWRYLEHYBKK-LJQANCHMSA-N 1 0 320.521 3.927 50 0 DHAARO Cc1cnc(-c2ccccc2)n1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000257178013 1022194641 /nfs/dbraw/zinc/19/46/41/1022194641.db2.gz BLDIUSXBQAYUKU-KRWDZBQOSA-N 1 0 311.429 3.678 50 0 DHAARO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000175538847 1022400720 /nfs/dbraw/zinc/40/07/20/1022400720.db2.gz PVOSJRDLFXKUAS-CYBMUJFWSA-N 1 0 321.490 3.515 50 0 DHAARO OCC[C@@H](C[NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1 ZINC000585135025 1022995425 /nfs/dbraw/zinc/99/54/25/1022995425.db2.gz UQAMHDPQYCDLLA-ICSRJNTNSA-N 1 0 310.441 3.679 50 0 DHAARO CC[C@@H]1CN(Cc2ccc(CO)o2)Cc2ccc(Cl)cc2O1 ZINC000299756521 1023300232 /nfs/dbraw/zinc/30/02/32/1023300232.db2.gz DIBLZIPVANLQOV-CQSZACIVSA-N 1 0 321.804 3.599 50 0 DHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1ccccc1F ZINC000107323598 1023426559 /nfs/dbraw/zinc/42/65/59/1023426559.db2.gz DKCVQELSOUAMGS-HBUWYVDXSA-N 1 0 318.436 3.513 50 0 DHAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000107323540 1023427071 /nfs/dbraw/zinc/42/70/71/1023427071.db2.gz QJGMSJQMTNSQOO-SXGZJXTBSA-N 1 0 310.441 3.747 50 0 DHAARO CC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2)cs1 ZINC000214973645 1024518942 /nfs/dbraw/zinc/51/89/42/1024518942.db2.gz HFWPSHDPZQYLDY-MRXNPFEDSA-N 1 0 317.458 3.592 50 0 DHAARO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C3CCCCC3)s2)C1 ZINC000215050473 1024521449 /nfs/dbraw/zinc/52/14/49/1024521449.db2.gz MMXHYTVBFWJWAL-MRXNPFEDSA-N 1 0 320.502 3.896 50 0 DHAARO C[C@H](c1cccc(-c2cccc(C(=O)N(C)C)n2)c1)[NH+]1CCCC1 ZINC000216047514 1024527915 /nfs/dbraw/zinc/52/79/15/1024527915.db2.gz SBRYVVAZOFMDHN-OAHLLOKOSA-N 1 0 323.440 3.607 50 0 DHAARO CCN(Cc1cnc(-c2cccs2)nc1)Cc1ccccn1 ZINC000216090697 1024530004 /nfs/dbraw/zinc/53/00/04/1024530004.db2.gz KLOUVYUZUXHKSL-UHFFFAOYSA-N 1 0 310.426 3.622 50 0 DHAARO CCCn1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)c1C ZINC000216095035 1024530563 /nfs/dbraw/zinc/53/05/63/1024530563.db2.gz IIIDPCPVUIVEIO-LJQANCHMSA-N 1 0 313.445 3.947 50 0 DHAARO Oc1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000621436173 1024803364 /nfs/dbraw/zinc/80/33/64/1024803364.db2.gz NGYJTGSSRUQENM-VQTJNVASSA-N 1 0 314.473 3.621 50 0 DHAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1OC ZINC000006715130 1025126607 /nfs/dbraw/zinc/12/66/07/1025126607.db2.gz JHKOQCWPGGIPQZ-QGZVFWFLSA-N 1 0 312.413 3.826 50 0 DHAARO CC(=O)N(CCC[NH+](C)C)[C@H]1CCCC[C@H]1C1=CCCCC1 ZINC000005378064 1025135140 /nfs/dbraw/zinc/13/51/40/1025135140.db2.gz LQSOSWGLYWPBCY-OALUTQOASA-N 1 0 306.494 3.846 50 0 DHAARO CC(C)CC1(C)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000585085210 1025778414 /nfs/dbraw/zinc/77/84/14/1025778414.db2.gz WQRLAKDJKKPUNU-UHFFFAOYSA-N 1 0 306.494 3.536 50 0 DHAARO OCC[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)c1ccccc1 ZINC000863983400 1028156329 /nfs/dbraw/zinc/15/63/29/1028156329.db2.gz GYXDNUIXIDWRSI-QKNQBKEWSA-N 1 0 324.468 3.549 50 0 DHAARO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000155854115 1029320720 /nfs/dbraw/zinc/32/07/20/1029320720.db2.gz DJKPRPXYABSTCF-LJQANCHMSA-N 1 0 314.473 3.933 50 0 DHAARO Cc1ccc2c(c1)c1c(n2Cc2ccncc2)CCC[N@@H+](C)C1 ZINC000075567344 1030981209 /nfs/dbraw/zinc/98/12/09/1030981209.db2.gz AJVBHUZICVABNW-UHFFFAOYSA-N 1 0 305.425 3.771 50 0 DHAARO Cc1cccc(OCCOCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000002822230 1037223523 /nfs/dbraw/zinc/22/35/23/1037223523.db2.gz RVGDAKXKLNSVBC-IYBDPMFKSA-N 1 0 305.462 3.677 50 0 DHAARO FC(F)(F)c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000222683580 1037857838 /nfs/dbraw/zinc/85/78/38/1037857838.db2.gz MWUCWAYOQTVIDR-RYUDHWBXSA-N 1 0 319.758 3.793 50 0 DHAARO COCC1CC[NH+](Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000075740392 1040147946 /nfs/dbraw/zinc/14/79/46/1040147946.db2.gz PMVGOEHSJYTRAD-UHFFFAOYSA-N 1 0 320.820 3.853 50 0 DHAARO Cc1ccc(F)c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000095525900 185378089 /nfs/dbraw/zinc/37/80/89/185378089.db2.gz NRURVCPMVIVMRO-UHFFFAOYSA-N 1 0 319.424 3.616 50 0 DHAARO CC[N@H+](C)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000089960837 185271892 /nfs/dbraw/zinc/27/18/92/185271892.db2.gz WAEYGHIAANSRHR-KRWDZBQOSA-N 1 0 316.832 3.649 50 0 DHAARO C[C@H](CCn1cncn1)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000090034594 185279068 /nfs/dbraw/zinc/27/90/68/185279068.db2.gz HLDUSLIEUJBYKV-NEPJUHHUSA-N 1 0 318.808 3.807 50 0 DHAARO C[C@H]1C[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2ccsc2S1 ZINC000090455478 185297321 /nfs/dbraw/zinc/29/73/21/185297321.db2.gz QXLKQBXMTODBIX-CHIMOYNISA-N 1 0 305.472 3.544 50 0 DHAARO Cc1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000095405111 185355561 /nfs/dbraw/zinc/35/55/61/185355561.db2.gz AVBKAYDJQCFQQT-NHCUHLMSSA-N 1 0 318.420 3.803 50 0 DHAARO Cc1ccc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000095405112 185355759 /nfs/dbraw/zinc/35/57/59/185355759.db2.gz AVBKAYDJQCFQQT-LEWJYISDSA-N 1 0 318.420 3.803 50 0 DHAARO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000095412234 185357651 /nfs/dbraw/zinc/35/76/51/185357651.db2.gz BDAZJIGDUJILSX-SFHVURJKSA-N 1 0 323.440 3.522 50 0 DHAARO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(-n3cncn3)cc1)CC2 ZINC000095419444 185359840 /nfs/dbraw/zinc/35/98/40/185359840.db2.gz FTSVKBAMOFXCJD-QRWLVFNGSA-N 1 0 318.424 3.914 50 0 DHAARO C[C@@H](CCn1cncn1)[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000097012289 185396897 /nfs/dbraw/zinc/39/68/97/185396897.db2.gz HXCANJCBUOZXQR-INIZCTEOSA-N 1 0 322.412 3.639 50 0 DHAARO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000084023566 192396810 /nfs/dbraw/zinc/39/68/10/192396810.db2.gz FMYASFLGCREJNK-VIFPVBQESA-N 1 0 309.207 3.905 50 0 DHAARO Cc1cc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)ccc1O ZINC000071751747 191024183 /nfs/dbraw/zinc/02/41/83/191024183.db2.gz DKIIYDPDJVCPAK-IBGZPJMESA-N 1 0 316.489 3.643 50 0 DHAARO Cc1ccc(C)n1CCC[NH+](C)CCCn1c(C)ccc1C ZINC000071767372 191029628 /nfs/dbraw/zinc/02/96/28/191029628.db2.gz RLMBOBHVARKALG-UHFFFAOYSA-N 1 0 301.478 3.935 50 0 DHAARO Fc1ccccc1CN1CCC[N@H+](Cc2ccsc2)CC1 ZINC000072141931 191049851 /nfs/dbraw/zinc/04/98/51/191049851.db2.gz OWSDXCGSCLTNKQ-UHFFFAOYSA-N 1 0 304.434 3.595 50 0 DHAARO CCOc1ccc2nc(C[NH+]3CC(c4ccccn4)C3)ccc2c1 ZINC000072143971 191051584 /nfs/dbraw/zinc/05/15/84/191051584.db2.gz DAORKUAQZGFKSR-UHFFFAOYSA-N 1 0 319.408 3.628 50 0 DHAARO CCn1cc(C[N@@H+]2CCC[C@H](COc3cccc(C)c3)C2)cn1 ZINC000072148492 191054401 /nfs/dbraw/zinc/05/44/01/191054401.db2.gz RXVPQOSPRULWNT-KRWDZBQOSA-N 1 0 313.445 3.502 50 0 DHAARO c1ccc2oc(N3CC[C@@]4(C3)CCC[N@@H+](CC3CC3)C4)nc2c1 ZINC000072158058 191060335 /nfs/dbraw/zinc/06/03/35/191060335.db2.gz FASJPYIQFCSTFS-IBGZPJMESA-N 1 0 311.429 3.530 50 0 DHAARO C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1 ZINC000084647778 192450524 /nfs/dbraw/zinc/45/05/24/192450524.db2.gz HFGYAZRIBYBFQD-DGCLKSJQSA-N 1 0 307.800 3.904 50 0 DHAARO CC(C)(C)c1cn2c3ccccc3nc2n1CC[NH+]1CCCC1 ZINC000000274325 180744794 /nfs/dbraw/zinc/74/47/94/180744794.db2.gz DOVYFZDUQSFFSL-UHFFFAOYSA-N 1 0 310.445 3.682 50 0 DHAARO C[C@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(Cl)cc2)N1O ZINC000000443228 180792561 /nfs/dbraw/zinc/79/25/61/180792561.db2.gz DTVMNQRNCCSXAT-SJCJKPOMSA-N 1 0 316.788 3.606 50 0 DHAARO CC[C@H](C)[NH2+]CCCOc1ccc(Br)cc1C ZINC000002825528 180961609 /nfs/dbraw/zinc/96/16/09/180961609.db2.gz AVVRQVGHNHCGSU-LBPRGKRZSA-N 1 0 300.240 3.915 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000003289082 181000996 /nfs/dbraw/zinc/00/09/96/181000996.db2.gz JEYBRFSQIVFTTM-HNNXBMFYSA-N 1 0 320.795 3.512 50 0 DHAARO O=C(C[NH2+]C1CCCCCCC1)NCc1ccccc1Cl ZINC000003299460 181002263 /nfs/dbraw/zinc/00/22/63/181002263.db2.gz UZUFZHFUXGDCPK-UHFFFAOYSA-N 1 0 308.853 3.659 50 0 DHAARO Cc1sc2ncnc(NC[C@@H](c3ccco3)[NH+](C)C)c2c1C ZINC000003410498 181016399 /nfs/dbraw/zinc/01/63/99/181016399.db2.gz MQYLLBWQSGCGOM-LBPRGKRZSA-N 1 0 316.430 3.616 50 0 DHAARO Cn1cc(C[NH2+]CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000003767809 181045470 /nfs/dbraw/zinc/04/54/70/181045470.db2.gz FMHBPFPXQUJNBG-UHFFFAOYSA-N 1 0 303.409 3.992 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1C(C)(C)C ZINC000003865349 181051206 /nfs/dbraw/zinc/05/12/06/181051206.db2.gz BXGXPPXTLUSKMR-HOTGVXAUSA-N 1 0 305.462 3.598 50 0 DHAARO C[C@@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(Cl)cc2)N1O ZINC000003904799 181055250 /nfs/dbraw/zinc/05/52/50/181055250.db2.gz DTVMNQRNCCSXAT-SJKOYZFVSA-N 1 0 316.788 3.606 50 0 DHAARO COc1ccc(C[NH2+]CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000004343105 181100574 /nfs/dbraw/zinc/10/05/74/181100574.db2.gz XOPDXWXKMSAABA-UHFFFAOYSA-N 1 0 310.397 3.517 50 0 DHAARO CC1(C)CC(NC(=O)/C=C/c2ccccc2Cl)CC(C)(C)[NH2+]1 ZINC000004681290 181136291 /nfs/dbraw/zinc/13/62/91/181136291.db2.gz KDUARIDABRJROZ-MDZDMXLPSA-N 1 0 320.864 3.779 50 0 DHAARO C[C@@H]1C[C@](OC(=O)c2ccco2)(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004776406 181151137 /nfs/dbraw/zinc/15/11/37/181151137.db2.gz HGXBXQXWBLWWHO-SPYBWZPUSA-N 1 0 313.397 3.692 50 0 DHAARO C[C@@H]1C[C@@](OC(=O)c2ccco2)(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004776410 181151351 /nfs/dbraw/zinc/15/13/51/181151351.db2.gz HGXBXQXWBLWWHO-CLCXKQKWSA-N 1 0 313.397 3.692 50 0 DHAARO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000004906195 181171292 /nfs/dbraw/zinc/17/12/92/181171292.db2.gz ZDBOQPNFNWELHZ-SNVBAGLBSA-N 1 0 301.217 3.664 50 0 DHAARO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000004906197 181171577 /nfs/dbraw/zinc/17/15/77/181171577.db2.gz ZDBOQPNFNWELHZ-JTQLQIEISA-N 1 0 301.217 3.664 50 0 DHAARO C[C@H](NC(=O)C[NH2+]C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005043844 181196423 /nfs/dbraw/zinc/19/64/23/181196423.db2.gz AMLFHDHDSKVWOZ-KMYSJOAASA-N 1 0 318.505 3.630 50 0 DHAARO CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000005073823 181201180 /nfs/dbraw/zinc/20/11/80/181201180.db2.gz HBMFAGWAMCXWPH-INIZCTEOSA-N 1 0 311.853 3.734 50 0 DHAARO CC[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2cc(OC)ccc12 ZINC000005217327 181218610 /nfs/dbraw/zinc/21/86/10/181218610.db2.gz VTKIURCEIWAMDE-ZDUSSCGKSA-N 1 0 300.402 3.624 50 0 DHAARO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(Cl)nc1 ZINC000005206360 181217155 /nfs/dbraw/zinc/21/71/55/181217155.db2.gz REERWBIMLDKGFA-UHFFFAOYSA-N 1 0 318.804 3.575 50 0 DHAARO Cc1cccc2c(=O)c(C[N@@H+]3CCc4ccccc4C3)c(C)[nH]c12 ZINC000005813319 181285976 /nfs/dbraw/zinc/28/59/76/181285976.db2.gz RAMODRWURWEWKX-UHFFFAOYSA-N 1 0 318.420 3.703 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc3ccccc3s2)C1 ZINC000188156513 200201515 /nfs/dbraw/zinc/20/15/15/200201515.db2.gz BMHLVSKIGLAEOX-GXTWGEPZSA-N 1 0 302.443 3.563 50 0 DHAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000006305993 181327626 /nfs/dbraw/zinc/32/76/26/181327626.db2.gz BBYXDCLIDZIGCX-CYBMUJFWSA-N 1 0 313.869 3.884 50 0 DHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006583929 181356787 /nfs/dbraw/zinc/35/67/87/181356787.db2.gz WWCFMRNUFNYICJ-NSHDSACASA-N 1 0 316.232 3.599 50 0 DHAARO C[NH+](C)CCC[C@]1(O)c2ccccc2CSc2ccccc21 ZINC000006637633 181363694 /nfs/dbraw/zinc/36/36/94/181363694.db2.gz GIGQDDWBWCUOFZ-IBGZPJMESA-N 1 0 313.466 3.870 50 0 in-vitro DHAARO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(F)cc1 ZINC000006703579 181374170 /nfs/dbraw/zinc/37/41/70/181374170.db2.gz JJPFSZUQDYOQSY-UHFFFAOYSA-N 1 0 301.361 3.665 50 0 DHAARO CCCOc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000006729104 181378413 /nfs/dbraw/zinc/37/84/13/181378413.db2.gz CNNVTNCLZNWOCU-UHFFFAOYSA-N 1 0 318.461 3.514 50 0 DHAARO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCOC(C)C ZINC000006787286 181388603 /nfs/dbraw/zinc/38/86/03/181388603.db2.gz GKILEIDLKPLZDK-UHFFFAOYSA-N 1 0 321.852 3.739 50 0 DHAARO CCC[NH+](CCC)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000006937646 181408327 /nfs/dbraw/zinc/40/83/27/181408327.db2.gz RNLVJDZLYHIRIH-GFCCVEGCSA-N 1 0 320.260 3.855 50 0 DHAARO CC/C(C)=C/CC[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 ZINC000091645069 193084074 /nfs/dbraw/zinc/08/40/74/193084074.db2.gz TVRXTQSGNAJQPA-AQHIEUNDSA-N 1 0 313.489 3.724 50 0 DHAARO COc1ccccc1NC1CC[NH+](Cc2scnc2C)CC1 ZINC000093817236 193312128 /nfs/dbraw/zinc/31/21/28/193312128.db2.gz MXSOUNQOYVIXOS-UHFFFAOYSA-N 1 0 317.458 3.537 50 0 DHAARO Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c(C)s1 ZINC000095968567 193465140 /nfs/dbraw/zinc/46/51/40/193465140.db2.gz GIEMTTHYQUQLEW-CMPLNLGQSA-N 1 0 305.491 3.997 50 0 DHAARO CSc1cccc(NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000095990469 193481608 /nfs/dbraw/zinc/48/16/08/193481608.db2.gz SSKOSMBFSJFXFA-UHFFFAOYSA-N 1 0 313.470 3.880 50 0 DHAARO CCC(C)(C)OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009764274 181639643 /nfs/dbraw/zinc/63/96/43/181639643.db2.gz IXYUNDAZYDSULU-LJQANCHMSA-N 1 0 319.489 3.507 50 0 DHAARO O[C@H](C[NH2+]C1CCCC1)COc1ccccc1-c1ccccc1 ZINC000012420066 181760188 /nfs/dbraw/zinc/76/01/88/181760188.db2.gz XLTQBLVLAQSYTA-GOSISDBHSA-N 1 0 311.425 3.626 50 0 DHAARO O=C(c1ccc(Cl)cc1)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000014631745 181962649 /nfs/dbraw/zinc/96/26/49/181962649.db2.gz WGTGNCXIULQFAZ-KRWDZBQOSA-N 1 0 315.800 3.702 50 0 DHAARO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000015724308 182013367 /nfs/dbraw/zinc/01/33/67/182013367.db2.gz SUTOUUYYHLUZDJ-INIZCTEOSA-N 1 0 307.478 3.848 50 0 DHAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCCCC2)o1 ZINC000015860156 182022496 /nfs/dbraw/zinc/02/24/96/182022496.db2.gz QJPNITKGWNAZOL-QGZVFWFLSA-N 1 0 312.413 3.545 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000016335342 182041389 /nfs/dbraw/zinc/04/13/89/182041389.db2.gz RKTAVHHFLGLJFQ-RYUDHWBXSA-N 1 0 305.809 3.868 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000016335340 182041403 /nfs/dbraw/zinc/04/14/03/182041403.db2.gz RKTAVHHFLGLJFQ-TXEJJXNPSA-N 1 0 305.809 3.868 50 0 DHAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000016607103 182053055 /nfs/dbraw/zinc/05/30/55/182053055.db2.gz HUUWCCZDTRAHOY-UHFFFAOYSA-N 1 0 308.425 3.846 50 0 DHAARO CCC[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000016606814 182053098 /nfs/dbraw/zinc/05/30/98/182053098.db2.gz MJMWCVSFUJDHBD-INIZCTEOSA-N 1 0 302.462 3.512 50 0 DHAARO CCOc1cc(C[NH2+]CCc2ccccc2F)ccc1OC ZINC000019720915 182138509 /nfs/dbraw/zinc/13/85/09/182138509.db2.gz QHQSMJLHXLTNGD-UHFFFAOYSA-N 1 0 303.377 3.565 50 0 DHAARO O=C(Nc1c[nH]c2ccccc12)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000019773984 182145782 /nfs/dbraw/zinc/14/57/82/182145782.db2.gz HCWGPZBZUMQZFZ-ZDUSSCGKSA-N 1 0 311.410 3.906 50 0 DHAARO CCc1ccc(C[NH+]2CCN(Cc3ccccc3F)CC2)cc1 ZINC000019842319 182155709 /nfs/dbraw/zinc/15/57/09/182155709.db2.gz ZUUHHZGQQLBUFC-UHFFFAOYSA-N 1 0 312.432 3.706 50 0 DHAARO COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)[NH2+]CC2 ZINC000020028883 182181260 /nfs/dbraw/zinc/18/12/60/182181260.db2.gz YMMCFCFPDSAPLT-KRWDZBQOSA-N 1 0 303.789 3.592 50 0 biogenic DHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)cc1)[NH2+]CC2 ZINC000020506854 182226082 /nfs/dbraw/zinc/22/60/82/182226082.db2.gz OZUNBSWLBHFONJ-IBGZPJMESA-N 1 0 315.388 3.858 50 0 DHAARO Cc1cc(CC[NH+]2CCC(Oc3cccc(Cl)c3)CC2)on1 ZINC000020821583 182247906 /nfs/dbraw/zinc/24/79/06/182247906.db2.gz IUCUWUOKCGSHLZ-UHFFFAOYSA-N 1 0 320.820 3.722 50 0 DHAARO Clc1ccc([C@H](OC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000022007005 182303906 /nfs/dbraw/zinc/30/39/06/182303906.db2.gz OTZYADIPHOGUDN-KRWDZBQOSA-N 1 0 302.805 3.593 50 0 DHAARO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)c1ccccc1 ZINC000023280467 182355574 /nfs/dbraw/zinc/35/55/74/182355574.db2.gz LVRYSLATUZYNBZ-INIZCTEOSA-N 1 0 309.331 3.871 50 0 DHAARO CCN(CC[NH+](CC)CC)Cc1ccc(Br)cc1 ZINC000023281480 182355813 /nfs/dbraw/zinc/35/58/13/182355813.db2.gz PHEIOAWPFAZCCX-UHFFFAOYSA-N 1 0 313.283 3.613 50 0 DHAARO CC(C)C/C=C(/C[NH+]1CCC(c2cc(=O)[nH]cn2)CC1)C(C)C ZINC000023128928 182350084 /nfs/dbraw/zinc/35/00/84/182350084.db2.gz HEQPZVFANZEFEB-FMQZQXMHSA-N 1 0 317.477 3.578 50 0 DHAARO COc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc2c1OCO2 ZINC000023634128 182364604 /nfs/dbraw/zinc/36/46/04/182364604.db2.gz GOJKMPZMFKRKDC-INIZCTEOSA-N 1 0 311.381 3.591 50 0 DHAARO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000024794679 182391753 /nfs/dbraw/zinc/39/17/53/182391753.db2.gz JSXRABLUFOWJAS-UHFFFAOYSA-N 1 0 321.424 3.719 50 0 DHAARO C/C(=C\C(=O)OC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000098053207 193778570 /nfs/dbraw/zinc/77/85/70/193778570.db2.gz PFYUOJRKJUFYFK-WYMLVPIESA-N 1 0 305.393 3.645 50 0 DHAARO CC(C)(C)CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584347 183003676 /nfs/dbraw/zinc/00/36/76/183003676.db2.gz WAWOPFCOEPWDNE-UHFFFAOYSA-N 1 0 308.491 3.513 50 0 DHAARO COCC[N@H+](Cc1csc(-c2ccco2)n1)[C@H](C)C1CC1 ZINC000040120812 183038074 /nfs/dbraw/zinc/03/80/74/183038074.db2.gz UHTNUSWQLZCKPW-GFCCVEGCSA-N 1 0 306.431 3.650 50 0 DHAARO CC(C)c1cc(Br)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042774637 183307810 /nfs/dbraw/zinc/30/78/10/183307810.db2.gz HRROSGWUNZJLIU-LBPRGKRZSA-N 1 0 312.251 3.951 50 0 DHAARO CCC(C)(C)c1ccc(O[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042775274 183307852 /nfs/dbraw/zinc/30/78/52/183307852.db2.gz OMFPRYSCVHTWBP-GFCCVEGCSA-N 1 0 312.251 3.877 50 0 DHAARO CC(C)(C)c1cc(Br)ccc1OC1CC[NH2+]CC1 ZINC000042774660 183307904 /nfs/dbraw/zinc/30/79/04/183307904.db2.gz FJXXKVZOHBRYKF-UHFFFAOYSA-N 1 0 312.251 3.877 50 0 DHAARO CCC(C)(C)c1ccc(O[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042775278 183307947 /nfs/dbraw/zinc/30/79/47/183307947.db2.gz OMFPRYSCVHTWBP-LBPRGKRZSA-N 1 0 312.251 3.877 50 0 DHAARO Cc1ccc([C@H](C)N(C)C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000043146870 183341181 /nfs/dbraw/zinc/34/11/81/183341181.db2.gz DWPFXUNKDDBCLC-INIZCTEOSA-N 1 0 317.477 3.572 50 0 DHAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2COC)o1 ZINC000046933187 183573181 /nfs/dbraw/zinc/57/31/81/183573181.db2.gz IVPSMIORIXOGRJ-UHFFFAOYSA-N 1 0 316.401 3.520 50 0 DHAARO C[C@H](CNC(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000105673405 194119258 /nfs/dbraw/zinc/11/92/58/194119258.db2.gz NUMRBBIMQWTPNK-QWHCGFSZSA-N 1 0 309.841 3.582 50 0 DHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)CSc1ccc(C)cc1 ZINC000057157009 184028626 /nfs/dbraw/zinc/02/86/26/184028626.db2.gz CUTQXTQPARBDJG-INIZCTEOSA-N 1 0 322.518 3.714 50 0 DHAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)no1 ZINC000057383490 184036958 /nfs/dbraw/zinc/03/69/58/184036958.db2.gz QTKQUOXQYQCFEA-MRXNPFEDSA-N 1 0 321.808 3.562 50 0 DHAARO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(CNC(C)=O)CC1 ZINC000057862079 184058738 /nfs/dbraw/zinc/05/87/38/184058738.db2.gz LHLLPNSIRHWJSK-KRWDZBQOSA-N 1 0 308.853 3.639 50 0 DHAARO Cc1ccc([C@H](C(=O)NC2CCCC2)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000058012616 184066548 /nfs/dbraw/zinc/06/65/48/184066548.db2.gz OYCCRLOXRRVOJL-QFBILLFUSA-N 1 0 314.473 3.827 50 0 DHAARO Cc1ccc2c(C[N@H+](C)Cc3cccc(F)c3)cc(=O)oc2c1 ZINC000058167033 184083921 /nfs/dbraw/zinc/08/39/21/184083921.db2.gz AKYXZGUFBZTXKQ-UHFFFAOYSA-N 1 0 311.356 3.873 50 0 DHAARO C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000058160742 184082083 /nfs/dbraw/zinc/08/20/83/184082083.db2.gz WOMYCCHEVCKNIG-QWRGUYRKSA-N 1 0 322.330 3.782 50 0 DHAARO COc1c(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c(C)nn1C ZINC000058416397 184115147 /nfs/dbraw/zinc/11/51/47/184115147.db2.gz HTMICFKRQVACNN-INIZCTEOSA-N 1 0 319.836 3.631 50 0 DHAARO c1nc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cs1 ZINC000058432881 184117612 /nfs/dbraw/zinc/11/76/12/184117612.db2.gz FKVYUPHANAHTBM-QGZVFWFLSA-N 1 0 324.453 3.555 50 0 DHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCCCCC1 ZINC000059291459 184136514 /nfs/dbraw/zinc/13/65/14/184136514.db2.gz BEPYOXYWKWDKQK-UHFFFAOYSA-N 1 0 317.477 3.614 50 0 DHAARO CCc1ccsc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000059982686 184143337 /nfs/dbraw/zinc/14/33/37/184143337.db2.gz XVVRGHJYPHQIEL-KBPBESRZSA-N 1 0 322.518 3.797 50 0 DHAARO O=C(CC[N@@H+]1CCC[C@H]1CC1CCCCC1)N1CCCCC1 ZINC000060892722 184157475 /nfs/dbraw/zinc/15/74/75/184157475.db2.gz JMFMUFNYVMHNBH-SFHVURJKSA-N 1 0 306.494 3.824 50 0 DHAARO CCC[NH+]1CCC(N[C@@H](c2ccncc2)c2ccccc2C)CC1 ZINC000065394144 184334292 /nfs/dbraw/zinc/33/42/92/184334292.db2.gz NFMCAEKBWHNJMU-NRFANRHFSA-N 1 0 323.484 3.943 50 0 DHAARO C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)C(=O)NC1CCCC1 ZINC000065373670 184330545 /nfs/dbraw/zinc/33/05/45/184330545.db2.gz MQEJIKNOXJZTHD-AWEZNQCLSA-N 1 0 320.436 3.793 50 0 DHAARO COc1cccc([C@@H]2CC[N@H+](C/C=C/c3ccccc3)C[C@H]2O)c1 ZINC000065419122 184341610 /nfs/dbraw/zinc/34/16/10/184341610.db2.gz UQFTUPBAXGJFRO-AWTHQZBNSA-N 1 0 323.436 3.559 50 0 DHAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000065453337 184346699 /nfs/dbraw/zinc/34/66/99/184346699.db2.gz QFGSZDDXXRWHHK-CQSZACIVSA-N 1 0 310.376 3.599 50 0 DHAARO Cc1cc(C)n(-c2cccc(C[N@@H+](C)Cc3ccccn3)c2)n1 ZINC000065452889 184346778 /nfs/dbraw/zinc/34/67/78/184346778.db2.gz GVKUMAGXFCLRCT-UHFFFAOYSA-N 1 0 306.413 3.516 50 0 DHAARO C[C@@H](c1cccc(-c2ncc(F)c(N(C)C)n2)c1)[NH+]1CCCC1 ZINC000065528266 184360402 /nfs/dbraw/zinc/36/04/02/184360402.db2.gz HFGZNGBORVXNQR-ZDUSSCGKSA-N 1 0 314.408 3.506 50 0 DHAARO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000065586740 184369126 /nfs/dbraw/zinc/36/91/26/184369126.db2.gz FCYSJNTXPBNHDZ-GFCCVEGCSA-N 1 0 315.335 3.605 50 0 DHAARO CCOc1c(C[NH2+][C@@H]2CCc3ccccc3C2)cccc1OC ZINC000065503477 184356222 /nfs/dbraw/zinc/35/62/22/184356222.db2.gz DUEQVUGEXKRHME-GOSISDBHSA-N 1 0 311.425 3.741 50 0 DHAARO COc1cccc(Cl)c1-c1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC000067934286 184491197 /nfs/dbraw/zinc/49/11/97/184491197.db2.gz KBNZUOJLZKRYHK-UHFFFAOYSA-N 1 0 317.816 3.587 50 0 DHAARO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000068590940 184493140 /nfs/dbraw/zinc/49/31/40/184493140.db2.gz NQRUYCVWCPVFIP-DLBZAZTESA-N 1 0 318.461 3.512 50 0 DHAARO CC(C)[N@H+](Cc1csc([C@@H]2CCCO2)n1)[C@@H]1CCCC[C@H]1O ZINC000239654517 256602092 /nfs/dbraw/zinc/60/20/92/256602092.db2.gz BODNXNGDKXODRO-OAGGEKHMSA-N 1 0 324.490 3.509 50 0 DHAARO CC[C@H](NC(=O)c1ccc2nc(C)sc2c1)c1nc(C)c[nH]1 ZINC000426571499 257245817 /nfs/dbraw/zinc/24/58/17/257245817.db2.gz MWERNZCRIPCMQH-LBPRGKRZSA-N 1 0 314.414 3.517 50 0 DHAARO CSc1cccc(C)c1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000408515848 257256223 /nfs/dbraw/zinc/25/62/23/257256223.db2.gz XRHMZSNMHAEOJD-UHFFFAOYSA-N 1 0 321.490 3.667 50 0 DHAARO CC(C)[N@@H+]1CCCN(Cc2ccc([C@H]3CCCCO3)s2)CC1 ZINC000244652039 257259470 /nfs/dbraw/zinc/25/94/70/257259470.db2.gz GYRAJBAVLASRKU-QGZVFWFLSA-N 1 0 322.518 3.906 50 0 DHAARO COC(=O)C[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2C)CC1 ZINC000328600515 533618670 /nfs/dbraw/zinc/61/86/70/533618670.db2.gz YCRLKHPHYVSJHO-QGZVFWFLSA-N 1 0 303.446 3.777 50 0 DHAARO C[C@H](CCc1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000000279859 134434150 /nfs/dbraw/zinc/43/41/50/134434150.db2.gz KSWHYEJFCPWUJD-QGZVFWFLSA-N 1 0 312.432 3.969 50 0 DHAARO C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c1cccnc1)C1CCCC1 ZINC000534629982 334305341 /nfs/dbraw/zinc/30/53/41/334305341.db2.gz KRHAZHJVPRBGGY-QGZVFWFLSA-N 1 0 317.477 3.550 50 0 DHAARO CC(C)(C)c1n[nH]cc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000051189307 334790361 /nfs/dbraw/zinc/79/03/61/334790361.db2.gz ICRZRLRLBMVKST-UHFFFAOYSA-N 1 0 314.408 3.660 50 0 DHAARO CC1(c2ccccc2)CCC([NH2+]C[C@H](CO)c2cccnc2)CC1 ZINC000348230545 335572021 /nfs/dbraw/zinc/57/20/21/335572021.db2.gz RHSUFVZIAKNUBJ-KMFTYDHNSA-N 1 0 324.468 3.648 50 0 DHAARO c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000011937916 337229271 /nfs/dbraw/zinc/22/92/71/337229271.db2.gz PPSCQAPLSVLYQZ-LJQANCHMSA-N 1 0 308.425 3.698 50 0 DHAARO Cc1cc([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c(C)o1 ZINC000097237301 337382572 /nfs/dbraw/zinc/38/25/72/337382572.db2.gz RDLHDNRWGDJPFB-LBPRGKRZSA-N 1 0 305.447 3.673 50 0 DHAARO C=Cc1ccc(NC(=O)NCCC[N@@H+](C)C2CCCC2)cc1 ZINC000299755501 526273772 /nfs/dbraw/zinc/27/37/72/526273772.db2.gz ANVLGVKMNOLGSG-UHFFFAOYSA-N 1 0 301.434 3.716 50 0 DHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000084780013 563831486 /nfs/dbraw/zinc/83/14/86/563831486.db2.gz XERPCEOYYPCOAF-DOMZBBRYSA-N 1 0 309.841 3.534 50 0 DHAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](CC(C)C)CC1 ZINC000034682616 563313228 /nfs/dbraw/zinc/31/32/28/563313228.db2.gz IJWRBCZTDKVQHT-UHFFFAOYSA-N 1 0 306.425 3.689 50 0 DHAARO COc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000207651 563230522 /nfs/dbraw/zinc/23/05/22/563230522.db2.gz ODTQWBZBOYELLN-UHFFFAOYSA-N 1 0 302.462 3.536 50 0 DHAARO O=C(NC1CCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000000236059 563232277 /nfs/dbraw/zinc/23/22/77/563232277.db2.gz LFKXABWVNZEHOP-UHFFFAOYSA-N 1 0 320.864 3.611 50 0 DHAARO CCOC(=O)[C@@H]1C=C(c2ccccc2)C=C[NH+]=C1N(CC)CC ZINC000000343274 563242823 /nfs/dbraw/zinc/24/28/23/563242823.db2.gz VHBIZFWKROPEBX-QGZVFWFLSA-N 1 0 312.413 3.517 50 0 DHAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccc(F)cc1 ZINC000000383056 563248194 /nfs/dbraw/zinc/24/81/94/563248194.db2.gz YWFIXCGNWMHCTQ-CQSZACIVSA-N 1 0 301.361 3.503 50 0 DHAARO OCC[NH2+][C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002049802 563298312 /nfs/dbraw/zinc/29/83/12/563298312.db2.gz RHNKSODMKAMSHB-CQSZACIVSA-N 1 0 305.830 3.670 50 0 DHAARO CC[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000002760682 563312438 /nfs/dbraw/zinc/31/24/38/563312438.db2.gz SSQCQHFAPMVHER-UHFFFAOYSA-N 1 0 300.377 3.676 50 0 DHAARO CCn1c2ccccc2c2cc(CNCCC[NH+](C)C)ccc21 ZINC000006871175 563334778 /nfs/dbraw/zinc/33/47/78/563334778.db2.gz YRTWTPYDAHFNGA-UHFFFAOYSA-N 1 0 309.457 3.856 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000008130537 563344421 /nfs/dbraw/zinc/34/44/21/563344421.db2.gz AJXYRVPMGQUOBR-UHFFFAOYSA-N 1 0 302.462 3.588 50 0 DHAARO CCc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccccc3)C2)cc1 ZINC000002966305 563345109 /nfs/dbraw/zinc/34/51/09/563345109.db2.gz WUVKJHSMAYGDQB-OAQYLSRUSA-N 1 0 321.444 3.509 50 0 DHAARO C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008497927 563347213 /nfs/dbraw/zinc/34/72/13/563347213.db2.gz HEYYIYIRJMJLED-LBPRGKRZSA-N 1 0 323.795 3.529 50 0 DHAARO O=C(NC1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010365278 563356531 /nfs/dbraw/zinc/35/65/31/563356531.db2.gz NKCBIRUKJDLYES-UHFFFAOYSA-N 1 0 300.446 3.735 50 0 DHAARO Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010434136 563356778 /nfs/dbraw/zinc/35/67/78/563356778.db2.gz JJGDSTFXMHCOBY-UHFFFAOYSA-N 1 0 322.452 3.911 50 0 DHAARO CCOc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000010474967 563357352 /nfs/dbraw/zinc/35/73/52/563357352.db2.gz QCBRBVSJPMPEDE-UHFFFAOYSA-N 1 0 319.788 3.757 50 0 DHAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(F)c2)oc1C ZINC000011663147 563359210 /nfs/dbraw/zinc/35/92/10/563359210.db2.gz OWPNYLKGOBBNQU-MRXNPFEDSA-N 1 0 318.392 3.790 50 0 DHAARO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CCCCC2)C1 ZINC000012429739 563369208 /nfs/dbraw/zinc/36/92/08/563369208.db2.gz HWKMDFBFKIRHIC-LJQANCHMSA-N 1 0 323.427 3.915 50 0 DHAARO CC[C@H]1CN(Cc2cccc(C)n2)Cc2cc(OC)ccc2O1 ZINC000012511050 563370909 /nfs/dbraw/zinc/37/09/09/563370909.db2.gz IPFUVCZLJNVMBQ-KRWDZBQOSA-N 1 0 312.413 3.572 50 0 DHAARO CCc1ccc([C@@H](CNc2cnc3ccccc3n2)[NH+](C)C)cc1 ZINC000012789989 563373692 /nfs/dbraw/zinc/37/36/92/563373692.db2.gz IBSFYKRVRYMIIT-LJQANCHMSA-N 1 0 320.440 3.907 50 0 DHAARO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000012978686 563375881 /nfs/dbraw/zinc/37/58/81/563375881.db2.gz FJFSQZNOTCAUII-AWEZNQCLSA-N 1 0 324.424 3.741 50 0 DHAARO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCC[C@H]1CO ZINC000013596832 563383897 /nfs/dbraw/zinc/38/38/97/563383897.db2.gz ZGMLVNIVMSDCIH-INIZCTEOSA-N 1 0 322.408 3.760 50 0 DHAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(C)noc2C)c(OC)c1 ZINC000032751528 563390288 /nfs/dbraw/zinc/39/02/88/563390288.db2.gz LYCTYTMDSVDXRJ-KRWDZBQOSA-N 1 0 316.401 3.646 50 0 DHAARO OCc1ccc(C[N@@H+]2CCC[C@H](CCc3cccc(F)c3)C2)o1 ZINC000014967141 563404885 /nfs/dbraw/zinc/40/48/85/563404885.db2.gz GOWYNPXTTJQRTH-MRXNPFEDSA-N 1 0 317.404 3.756 50 0 DHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000015070999 563407122 /nfs/dbraw/zinc/40/71/22/563407122.db2.gz KAALEHBGCAADDQ-OAHLLOKOSA-N 1 0 319.399 3.841 50 0 DHAARO C[N@H+](CCC(=O)N1CCc2ccccc21)[C@H]1CCc2ccccc21 ZINC000026915779 563427287 /nfs/dbraw/zinc/42/72/87/563427287.db2.gz JQWQFYMXVAOHOF-FQEVSTJZSA-N 1 0 320.436 3.585 50 0 DHAARO CCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583826 563428873 /nfs/dbraw/zinc/42/88/73/563428873.db2.gz GQKZJZYHULUBEW-INIZCTEOSA-N 1 0 308.853 3.783 50 0 DHAARO Cc1ccc(C[NH2+]CCNc2ncc(Cl)cc2Cl)s1 ZINC000072310922 563449119 /nfs/dbraw/zinc/44/91/19/563449119.db2.gz YAJNBYUJCLYKKL-UHFFFAOYSA-N 1 0 316.257 3.960 50 0 DHAARO Clc1ccc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)cc1 ZINC000035268962 563452770 /nfs/dbraw/zinc/45/27/70/563452770.db2.gz MSBZEBYTJLNQFX-UHFFFAOYSA-N 1 0 315.804 3.976 50 0 DHAARO CC(C)[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000037031196 563457803 /nfs/dbraw/zinc/45/78/03/563457803.db2.gz FHQXRTLBKQJZHF-PBHICJAKSA-N 1 0 302.443 3.652 50 0 DHAARO CCC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000033028945 563468307 /nfs/dbraw/zinc/46/83/07/563468307.db2.gz IHXACGYPPGLOPZ-VQTJNVASSA-N 1 0 324.468 3.989 50 0 DHAARO COc1ccccc1[C@@H](CC[NH2+]C1CCN(C)CC1)C(C)C ZINC000013684577 563469271 /nfs/dbraw/zinc/46/92/71/563469271.db2.gz FOSREHFWSIFXJJ-KRWDZBQOSA-N 1 0 304.478 3.509 50 0 DHAARO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1ccc2c(c1)OCCO2 ZINC000055413750 563475278 /nfs/dbraw/zinc/47/52/78/563475278.db2.gz WQGMKLDHKJERBB-HNNXBMFYSA-N 1 0 312.413 3.654 50 0 DHAARO C[N@H+](CCO)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000055392580 563475462 /nfs/dbraw/zinc/47/54/62/563475462.db2.gz PUSMBGWSVOJTKY-UHFFFAOYSA-N 1 0 317.432 3.903 50 0 DHAARO C[C@@H](Cc1ccsc1)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000095423001 563477355 /nfs/dbraw/zinc/47/73/55/563477355.db2.gz JHRXELVACVQMQC-QMMMGPOBSA-N 1 0 306.378 3.944 50 0 DHAARO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000096410956 563480148 /nfs/dbraw/zinc/48/01/48/563480148.db2.gz WDXOIDZEMTWUTJ-MRXNPFEDSA-N 1 0 312.438 3.576 50 0 DHAARO Cc1nc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)oc1C ZINC000096424350 563481685 /nfs/dbraw/zinc/48/16/85/563481685.db2.gz CDKKZGOHBBFPNO-UHFFFAOYSA-N 1 0 310.401 3.547 50 0 DHAARO C[C@H](Nc1cc[nH+]c2cc(F)ccc12)c1nnc2ccccn21 ZINC000096453384 563482868 /nfs/dbraw/zinc/48/28/68/563482868.db2.gz AZGGBMAROJNJFU-NSHDSACASA-N 1 0 307.332 3.590 50 0 DHAARO CC(C)C[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1cccs1 ZINC000096491608 563485174 /nfs/dbraw/zinc/48/51/74/563485174.db2.gz DJAOZYWLEKUVOQ-OAHLLOKOSA-N 1 0 323.506 3.571 50 0 DHAARO C[C@@H](c1cccc(-c2ccc3[nH]c(CO)nc3c2)c1)[NH+]1CCCC1 ZINC000067654577 563488769 /nfs/dbraw/zinc/48/87/69/563488769.db2.gz JWHTTXQLFXOYGF-AWEZNQCLSA-N 1 0 321.424 3.879 50 0 DHAARO CC[N@H+](Cc1ccc(C)o1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000067655115 563488801 /nfs/dbraw/zinc/48/88/01/563488801.db2.gz RNXXQOPKYUOQIU-UHFFFAOYSA-N 1 0 310.397 3.760 50 0 DHAARO Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC([NH3+])CC1 ZINC000067688795 563488878 /nfs/dbraw/zinc/48/88/78/563488878.db2.gz IARATMQPWVHKJQ-UHFFFAOYSA-N 1 0 321.424 3.726 50 0 DHAARO CC(C)[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(Cl)s2)C1 ZINC000067894727 563493300 /nfs/dbraw/zinc/49/33/00/563493300.db2.gz KOYYYOBONNSJKT-GFCCVEGCSA-N 1 0 314.882 3.642 50 0 DHAARO CCOCC[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067872612 563493581 /nfs/dbraw/zinc/49/35/81/563493581.db2.gz PSUVXIOMPWGLQP-UHFFFAOYSA-N 1 0 322.408 3.889 50 0 DHAARO CC[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000071385464 563499078 /nfs/dbraw/zinc/49/90/78/563499078.db2.gz JJHKAKGWSYMJAV-GOSISDBHSA-N 1 0 302.462 3.603 50 0 DHAARO O=C(Nc1ccccc1)c1ccc(-c2cccc3c2CC[NH2+]C3)o1 ZINC000071524455 563499936 /nfs/dbraw/zinc/49/99/36/563499936.db2.gz WRSOWQMOQOMFNV-UHFFFAOYSA-N 1 0 318.376 3.845 50 0 DHAARO c1ccc2ncc(NC3CC[NH+](Cc4ccncc4)CC3)cc2c1 ZINC000097140627 563507772 /nfs/dbraw/zinc/50/77/72/563507772.db2.gz IKKIREHFSKCKFA-UHFFFAOYSA-N 1 0 318.424 3.706 50 0 DHAARO Cn1c(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2)cc2ccccc21 ZINC000077287420 563508577 /nfs/dbraw/zinc/50/85/77/563508577.db2.gz ROQJWZKNXGLUGI-GOSISDBHSA-N 1 0 322.456 3.820 50 0 DHAARO Fc1ccc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)c(F)c1 ZINC000077376936 563508861 /nfs/dbraw/zinc/50/88/61/563508861.db2.gz SFPBDOPRQBMWCU-MRXNPFEDSA-N 1 0 305.372 3.606 50 0 DHAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3ccsc3)C2)c1 ZINC000077454350 563511312 /nfs/dbraw/zinc/51/13/12/563511312.db2.gz SXXAEFBLCWJBHI-AWEZNQCLSA-N 1 0 303.427 3.755 50 0 DHAARO COc1ccc(OC)c([C@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)c1 ZINC000097232084 563514688 /nfs/dbraw/zinc/51/46/88/563514688.db2.gz JVDDWOCWKHZALB-ZDUSSCGKSA-N 1 0 312.413 3.822 50 0 DHAARO CC(C)OC[C@@H](O)C[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000097287386 563515273 /nfs/dbraw/zinc/51/52/73/563515273.db2.gz XAIWLTBHSBMGBQ-FQEVSTJZSA-N 1 0 313.441 3.571 50 0 DHAARO C[C@@H](Nc1ccccc1C[NH+]1CCC(O)CC1)C1CCCC1 ZINC000097037808 563516707 /nfs/dbraw/zinc/51/67/07/563516707.db2.gz NKZBLALATLUDHY-OAHLLOKOSA-N 1 0 302.462 3.634 50 0 DHAARO CCC[NH+]1CCC(CC(=O)N(C)[C@H](CC)c2cccnc2)CC1 ZINC000095375530 563530091 /nfs/dbraw/zinc/53/00/91/563530091.db2.gz UYKPUMUXSKYIEW-GOSISDBHSA-N 1 0 317.477 3.503 50 0 DHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000097675374 563541352 /nfs/dbraw/zinc/54/13/52/563541352.db2.gz ZBJCTRYFSZBRDX-SFHVURJKSA-N 1 0 322.412 3.880 50 0 DHAARO [NH3+][C@@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000097742700 563541722 /nfs/dbraw/zinc/54/17/22/563541722.db2.gz DOLNLXQQKJIZNF-GOSISDBHSA-N 1 0 323.440 3.623 50 0 DHAARO Fc1cccc(Cl)c1CN1CCC[C@@H](c2ccncn2)C1 ZINC000097785192 563542357 /nfs/dbraw/zinc/54/23/57/563542357.db2.gz DDXKGJPIHCYXFL-GFCCVEGCSA-N 1 0 305.784 3.649 50 0 DHAARO C[C@H](c1ccc(-c2ccc(N(C)C)nn2)cc1)[NH+]1CCCCC1 ZINC000097776092 563542417 /nfs/dbraw/zinc/54/24/17/563542417.db2.gz PVVNGBCZMPPCGI-OAHLLOKOSA-N 1 0 310.445 3.757 50 0 DHAARO Cc1oc(-c2ccco2)nc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119897360 563565376 /nfs/dbraw/zinc/56/53/76/563565376.db2.gz YUKFFBMWHGDCHT-AWEZNQCLSA-N 1 0 304.390 3.679 50 0 DHAARO Nc1[nH+]c2ccccc2n1CCOc1cccc2ccccc21 ZINC000000274938 563584069 /nfs/dbraw/zinc/58/40/69/563584069.db2.gz JMARFCPBUSSFJB-UHFFFAOYSA-N 1 0 303.365 3.851 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000247938436 563598668 /nfs/dbraw/zinc/59/86/68/563598668.db2.gz CSCSLHMXLNLJSP-RVKKMQEKSA-N 1 0 315.486 3.704 50 0 DHAARO CCCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000075552497 563606327 /nfs/dbraw/zinc/60/63/27/563606327.db2.gz TZGNQXONJOBXCN-QGZVFWFLSA-N 1 0 323.444 3.549 50 0 DHAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)c1ccc(F)cc1F ZINC000247927964 563606342 /nfs/dbraw/zinc/60/63/42/563606342.db2.gz JBTLARYYYPTLPW-OCBCSQNSSA-N 1 0 322.399 3.501 50 0 DHAARO O=C(c1coc2ccccc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000154721329 563626080 /nfs/dbraw/zinc/62/60/80/563626080.db2.gz VLWLGQOMSYLPQE-UHFFFAOYSA-N 1 0 312.413 3.523 50 0 DHAARO COc1ccc(Br)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000000360385 563629936 /nfs/dbraw/zinc/62/99/36/563629936.db2.gz AFXKXEKOYSCEAY-UHFFFAOYSA-N 1 0 324.193 3.887 50 0 DHAARO OC[C@H]1CC[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000101693316 563656914 /nfs/dbraw/zinc/65/69/14/563656914.db2.gz GMMCFLBYXLATLO-UXLLHSPISA-N 1 0 301.430 3.574 50 0 DHAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000103962889 563671566 /nfs/dbraw/zinc/67/15/66/563671566.db2.gz CPFFPUOUXLYVBL-APWZRJJASA-N 1 0 308.425 3.701 50 0 DHAARO C[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)N(CC3CCCCC3)CC2)C1 ZINC000012165112 563680780 /nfs/dbraw/zinc/68/07/80/563680780.db2.gz ZSKMVIFDUUCSKA-AEFFLSMTSA-N 1 0 306.494 3.680 50 0 DHAARO c1ccc(Cc2noc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000107332717 563683426 /nfs/dbraw/zinc/68/34/26/563683426.db2.gz UXIXVELMXUZARP-DLBZAZTESA-N 1 0 311.429 3.815 50 0 DHAARO CC(C)N(Cc1nc(-c2ccsc2)no1)Cc1ccccn1 ZINC000048263166 563694279 /nfs/dbraw/zinc/69/42/79/563694279.db2.gz GVNSYJGIWMAVBW-UHFFFAOYSA-N 1 0 314.414 3.604 50 0 DHAARO c1ccc2[nH]c(-c3cccnc3SCC[NH+]3CCCC3)nc2c1 ZINC000049371992 563700950 /nfs/dbraw/zinc/70/09/50/563700950.db2.gz PHVXUHNDHURNQD-UHFFFAOYSA-N 1 0 324.453 3.813 50 0 DHAARO c1cc(C2CCCC2)sc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000215193090 563704045 /nfs/dbraw/zinc/70/40/45/563704045.db2.gz KCABXSLLNMJOLW-AWEZNQCLSA-N 1 0 316.474 3.903 50 0 DHAARO C[N@@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CCCCO1 ZINC000215135067 563704628 /nfs/dbraw/zinc/70/46/28/563704628.db2.gz YJSHHFDFEYHPJX-INIZCTEOSA-N 1 0 304.821 3.889 50 0 DHAARO CCN(Cc1csc(-c2ncccn2)n1)Cc1ccccc1C ZINC000051536826 563705653 /nfs/dbraw/zinc/70/56/53/563705653.db2.gz PGKPKOWSTQLCOX-UHFFFAOYSA-N 1 0 324.453 3.931 50 0 DHAARO Oc1ccc2cc(C[N@@H+]3CCC[C@H](Cn4ccnc4)C3)ccc2c1 ZINC000215580232 563706489 /nfs/dbraw/zinc/70/64/89/563706489.db2.gz HAVMJAHHXNHMRJ-KRWDZBQOSA-N 1 0 321.424 3.654 50 0 DHAARO COc1ccc(C[NH+]2CCC(F)CC2)c2c(OC)cccc12 ZINC000216546691 563710265 /nfs/dbraw/zinc/71/02/65/563710265.db2.gz PGGPYXGAQGLONM-UHFFFAOYSA-N 1 0 303.377 3.791 50 0 DHAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Cl)cc2)on1 ZINC000222109615 563724011 /nfs/dbraw/zinc/72/40/11/563724011.db2.gz BNGGLLHEJSDTGP-LSDHHAIUSA-N 1 0 306.793 3.507 50 0 DHAARO CNC(=O)c1cccc(CC[NH2+][C@H](c2cccs2)C(C)C)c1 ZINC000225544385 563758555 /nfs/dbraw/zinc/75/85/55/563758555.db2.gz OLRXRSHNYSLRHA-KRWDZBQOSA-N 1 0 316.470 3.637 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C2CCCC2)c2c1cccc2Cl ZINC000012421922 563774454 /nfs/dbraw/zinc/77/44/54/563774454.db2.gz GOGHZKVDZPUKCV-HNNXBMFYSA-N 1 0 320.864 3.805 50 0 DHAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000240454704 563776366 /nfs/dbraw/zinc/77/63/66/563776366.db2.gz FYFVMLPYTYOCIF-KBPBESRZSA-N 1 0 306.837 3.791 50 0 DHAARO Cc1ccccc1OCCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000241287477 563777442 /nfs/dbraw/zinc/77/74/42/563777442.db2.gz LLTVWUSPFKSKQS-TZIWHRDSSA-N 1 0 324.468 3.799 50 0 DHAARO O=C(CC1CCCC1)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244716066 563779264 /nfs/dbraw/zinc/77/92/64/563779264.db2.gz LHSKRYBIQGVPBF-LJQANCHMSA-N 1 0 314.473 3.595 50 0 DHAARO CNc1nc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)cs1 ZINC000244898966 563779870 /nfs/dbraw/zinc/77/98/70/563779870.db2.gz ZESDRMQACXJHBY-INIZCTEOSA-N 1 0 316.474 3.567 50 0 DHAARO Cc1cccc(CNc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)c1C ZINC000244894043 563779916 /nfs/dbraw/zinc/77/99/16/563779916.db2.gz YYVHWNAAOHKPMJ-QAQDUYKDSA-N 1 0 322.456 3.788 50 0 DHAARO Cc1cccc(Cn2nc(C[NH2+]C(C)C)c(-c3ccccc3)n2)c1 ZINC000247948443 563782055 /nfs/dbraw/zinc/78/20/55/563782055.db2.gz XLYKAQTWPDHQKC-UHFFFAOYSA-N 1 0 320.440 3.800 50 0 DHAARO CCC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248000407 563782270 /nfs/dbraw/zinc/78/22/70/563782270.db2.gz NYHHGTNCIBABGM-UHFFFAOYSA-N 1 0 324.403 3.632 50 0 DHAARO CC[C@H](CO)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248168134 563782647 /nfs/dbraw/zinc/78/26/47/563782647.db2.gz PRIAEPQMTPAJGB-GOSISDBHSA-N 1 0 308.425 3.550 50 0 DHAARO Cc1c(C)c(C)c(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c(C)c1C ZINC000252571784 563784127 /nfs/dbraw/zinc/78/41/27/563784127.db2.gz YNPZLWGTAJCPTQ-SFHVURJKSA-N 1 0 310.441 3.737 50 0 DHAARO CC(C)[C@H](c1ccccc1)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000084715132 563829768 /nfs/dbraw/zinc/82/97/68/563829768.db2.gz ZADZANFZYYXYBD-FXAWDEMLSA-N 1 0 316.489 3.569 50 0 DHAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434628 563832105 /nfs/dbraw/zinc/83/21/05/563832105.db2.gz JKXCTIFAGZFWSE-VKRPKONCSA-N 1 0 321.505 3.596 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1Cl ZINC000078896935 563843841 /nfs/dbraw/zinc/84/38/41/563843841.db2.gz NMPUDUNWAMLGKL-GDZNZVCISA-N 1 0 320.864 3.638 50 0 DHAARO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H](C)c4cnccn4)C3)nc2c1 ZINC000248615426 563845145 /nfs/dbraw/zinc/84/51/45/563845145.db2.gz KBESNSDOKGJHPN-CABCVRRESA-N 1 0 321.428 3.602 50 0 DHAARO CC[N@H+](C)[C@@H]1CCN([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000225409552 563869770 /nfs/dbraw/zinc/86/97/70/563869770.db2.gz JIIAKJLVXRYYLZ-TZMCWYRMSA-N 1 0 316.367 3.672 50 0 DHAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000191096334 563871453 /nfs/dbraw/zinc/87/14/53/563871453.db2.gz QJYXBDCTBAXQDV-SJLPKXTDSA-N 1 0 306.494 3.606 50 0 DHAARO O[C@@H](C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000013005605 563874949 /nfs/dbraw/zinc/87/49/49/563874949.db2.gz XCINSJOBIPZONT-NRFANRHFSA-N 1 0 318.420 3.991 50 0 DHAARO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1c(C)noc1C ZINC000090887426 563876609 /nfs/dbraw/zinc/87/66/09/563876609.db2.gz FZUXCABVHGZIBJ-IINYFYTJSA-N 1 0 302.374 3.822 50 0 DHAARO CS[C@@H](C)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000053547386 563879272 /nfs/dbraw/zinc/87/92/72/563879272.db2.gz LZSGBQMBZVGJMT-LBPRGKRZSA-N 1 0 315.442 3.576 50 0 DHAARO CCCCO[P@@](C)(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000001816953 563881542 /nfs/dbraw/zinc/88/15/42/563881542.db2.gz MHYQTYYTGDIMIE-STXHMFSFSA-N 1 0 303.383 3.907 50 0 biogenic DHAARO Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@@H](C)c1cccnc1 ZINC000075605189 563884590 /nfs/dbraw/zinc/88/45/90/563884590.db2.gz VVDFTDQEXFYOQX-GXTWGEPZSA-N 1 0 304.825 3.675 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000089529355 563890815 /nfs/dbraw/zinc/89/08/15/563890815.db2.gz UKFCSWBTBKAHNL-RDJZCZTQSA-N 1 0 318.417 3.753 50 0 DHAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COCC(C)C ZINC000036097435 563893163 /nfs/dbraw/zinc/89/31/63/563893163.db2.gz PHSFPAWNXAFFBZ-IBGZPJMESA-N 1 0 307.478 3.549 50 0 DHAARO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1C ZINC000036096974 563893183 /nfs/dbraw/zinc/89/31/83/563893183.db2.gz JJQFKWWSEQYINP-LJQANCHMSA-N 1 0 313.441 3.647 50 0 DHAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1 ZINC000036099191 563893739 /nfs/dbraw/zinc/89/37/39/563893739.db2.gz SCDBDLUOOGFMNO-KRWDZBQOSA-N 1 0 319.470 3.646 50 0 DHAARO CCC[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1C ZINC000036099484 563893766 /nfs/dbraw/zinc/89/37/66/563893766.db2.gz RWEXBWFUMRXBGL-QGZVFWFLSA-N 1 0 319.470 3.708 50 0 DHAARO CC(C)OC[C@@H](O)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103318 563893820 /nfs/dbraw/zinc/89/38/20/563893820.db2.gz ZRGBNHGFCOGFEK-KRWDZBQOSA-N 1 0 319.470 3.536 50 0 DHAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)C)c1 ZINC000036100703 563893924 /nfs/dbraw/zinc/89/39/24/563893924.db2.gz UPORZKWRXJVDLY-IBGZPJMESA-N 1 0 307.478 3.629 50 0 DHAARO C[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccc2c(c1)CCCC2 ZINC000007339557 563905441 /nfs/dbraw/zinc/90/54/41/563905441.db2.gz JZUWDUVBWPEOBN-INIZCTEOSA-N 1 0 314.473 3.619 50 0 DHAARO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000007377711 563905467 /nfs/dbraw/zinc/90/54/67/563905467.db2.gz GEIPXENWOGLMGB-LLVKDONJSA-N 1 0 300.324 3.518 50 0 DHAARO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000170591426 563906649 /nfs/dbraw/zinc/90/66/49/563906649.db2.gz QXRXJSRWRGQYQC-XCLFUZPHSA-N 1 0 307.484 3.549 50 0 DHAARO CC[N@H+](C)[C@H]1CCN([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000170616798 563908365 /nfs/dbraw/zinc/90/83/65/563908365.db2.gz JIIAKJLVXRYYLZ-JSGCOSHPSA-N 1 0 316.367 3.672 50 0 DHAARO C[C@H](c1ccc(F)cc1)N(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000170621406 563908636 /nfs/dbraw/zinc/90/86/36/563908636.db2.gz MCIITRZBDQVJDK-KDOFPFPSSA-N 1 0 314.404 3.825 50 0 DHAARO CCCCc1ccc(NC(=S)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000007561252 563908772 /nfs/dbraw/zinc/90/87/72/563908772.db2.gz OYXBBJFZVIRYGN-QGZVFWFLSA-N 1 0 319.518 3.800 50 0 DHAARO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 ZINC000089731434 563911099 /nfs/dbraw/zinc/91/10/99/563911099.db2.gz WQSSQKRRNGTAIA-AWEZNQCLSA-N 1 0 322.412 3.640 50 0 DHAARO Cc1nccn1CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000089735724 563911186 /nfs/dbraw/zinc/91/11/86/563911186.db2.gz DGBSGGNWFDUDNX-INIZCTEOSA-N 1 0 303.837 3.552 50 0 DHAARO Cc1nc(C)c(C[NH2+][C@@H]2CCCc3c2cnn3C(C)(C)C)s1 ZINC000076018127 563911780 /nfs/dbraw/zinc/91/17/80/563911780.db2.gz MEFBHUNLNUVQFR-CQSZACIVSA-N 1 0 318.490 3.879 50 0 DHAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000076056521 563912064 /nfs/dbraw/zinc/91/20/64/563912064.db2.gz VONAIJUBCQOQJP-IGCXYCKISA-N 1 0 320.864 3.638 50 0 DHAARO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N2CCC[C@H](C)C2)o1 ZINC000170634719 563912820 /nfs/dbraw/zinc/91/28/20/563912820.db2.gz KWNWWYGXJLABCM-DOTOQJQBSA-N 1 0 318.461 3.764 50 0 DHAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000252444263 563914966 /nfs/dbraw/zinc/91/49/66/563914966.db2.gz FHVURWWJQTVXLA-JFIYKMOQSA-N 1 0 305.462 3.718 50 0 DHAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000007781914 563919204 /nfs/dbraw/zinc/91/92/04/563919204.db2.gz VOHCQPCUSBWGCQ-UHFFFAOYSA-N 1 0 301.217 3.808 50 0 DHAARO CCCN(C(=O)c1ccc2sccc2c1)C1CC[NH2+]CC1 ZINC000195543729 563919685 /nfs/dbraw/zinc/91/96/85/563919685.db2.gz PFEDYDGVMWWPPF-UHFFFAOYSA-N 1 0 302.443 3.506 50 0 DHAARO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000195568844 563919796 /nfs/dbraw/zinc/91/97/96/563919796.db2.gz VKHCNQVUEUZTGC-VNHYZAJKSA-N 1 0 315.417 3.660 50 0 DHAARO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2C)C2CC2)o1 ZINC000195670086 563919962 /nfs/dbraw/zinc/91/99/62/563919962.db2.gz MOMNAZHJXDUYNN-KSSFIOAISA-N 1 0 318.461 3.590 50 0 DHAARO C[C@@H]1C[C@H](C)CN(CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000007811674 563919992 /nfs/dbraw/zinc/91/99/92/563919992.db2.gz QYFXWAOZEOHFSL-PHIMTYICSA-N 1 0 315.244 3.910 50 0 DHAARO C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000007811658 563920022 /nfs/dbraw/zinc/92/00/22/563920022.db2.gz GEYBUZJLFQNYDK-QWRGUYRKSA-N 1 0 315.244 3.910 50 0 DHAARO O=C(c1ccoc1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638384 563926276 /nfs/dbraw/zinc/92/62/76/563926276.db2.gz YTUUAGUYVVANQS-RTBURBONSA-N 1 0 324.424 3.549 50 0 DHAARO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000225443885 563928214 /nfs/dbraw/zinc/92/82/14/563928214.db2.gz SDJLWMHAPFDCMV-SJCJKPOMSA-N 1 0 318.367 3.574 50 0 DHAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCCC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012883639 563929117 /nfs/dbraw/zinc/92/91/17/563929117.db2.gz VSWSIBQREJIPNZ-LORHWOILSA-N 1 0 303.446 3.541 50 0 biogenic DHAARO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CCC(CO)CC1 ZINC000079105438 563930300 /nfs/dbraw/zinc/93/03/00/563930300.db2.gz RTMDHYKCOLBAAO-UHFFFAOYSA-N 1 0 301.352 3.688 50 0 DHAARO Cc1nc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)cs1 ZINC000095419979 563931380 /nfs/dbraw/zinc/93/13/80/563931380.db2.gz BTFPQLMATXKJPK-LBPRGKRZSA-N 1 0 318.442 3.506 50 0 DHAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)sc1C ZINC000095957030 563932408 /nfs/dbraw/zinc/93/24/08/563932408.db2.gz OFRNQFKOJQYQDC-UHFFFAOYSA-N 1 0 302.443 3.573 50 0 DHAARO [NH3+]CC1CCC(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000095963335 563932765 /nfs/dbraw/zinc/93/27/65/563932765.db2.gz UMMAKJJUDSYNOK-UHFFFAOYSA-N 1 0 320.864 3.596 50 0 DHAARO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cnc2ccsc2c1 ZINC000095968309 563933176 /nfs/dbraw/zinc/93/31/76/563933176.db2.gz LUBMEQVMYMOYGR-MEDUHNTESA-N 1 0 318.467 3.916 50 0 DHAARO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(N2CCOC2=O)c1 ZINC000095969317 563933364 /nfs/dbraw/zinc/93/33/64/563933364.db2.gz DXRGLGVREAZBFF-CXAGYDPISA-N 1 0 320.458 3.580 50 0 DHAARO CC(=O)N1CCC(CC[NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000095969186 563933366 /nfs/dbraw/zinc/93/33/66/563933366.db2.gz VEFGWXSOAYTZJR-MRXNPFEDSA-N 1 0 302.462 3.603 50 0 DHAARO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000095969290 563933427 /nfs/dbraw/zinc/93/34/27/563933427.db2.gz LDTQWKRPCJSWQI-CABCVRRESA-N 1 0 301.434 3.757 50 0 DHAARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000095978822 563933721 /nfs/dbraw/zinc/93/37/21/563933721.db2.gz SASGBDYPFVGVTD-OAHLLOKOSA-N 1 0 320.433 3.685 50 0 DHAARO Cc1ccc(O)c(C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000095982291 563933851 /nfs/dbraw/zinc/93/38/51/563933851.db2.gz UNCZRBFKSLMYGV-UHFFFAOYSA-N 1 0 323.396 3.616 50 0 DHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(CO)c2)c1 ZINC000095988797 563934083 /nfs/dbraw/zinc/93/40/83/563934083.db2.gz ITIVZQKDAXNEIL-ZIAGYGMSSA-N 1 0 312.413 3.549 50 0 DHAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ncc(-c2ccccc2)s1 ZINC000096003698 563934534 /nfs/dbraw/zinc/93/45/34/563934534.db2.gz ZURDBRJWCYAONP-MRXNPFEDSA-N 1 0 315.486 3.582 50 0 DHAARO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc(CSC(F)F)o1 ZINC000096003693 563934671 /nfs/dbraw/zinc/93/46/71/563934671.db2.gz TWMGANMPZHXDMT-AWEZNQCLSA-N 1 0 318.433 3.507 50 0 DHAARO CS[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000096478667 563937495 /nfs/dbraw/zinc/93/74/95/563937495.db2.gz HQJSCWFTKZSBSR-MSOLQXFVSA-N 1 0 304.503 3.525 50 0 DHAARO CC1(C)CC(NC(=O)N2CCC[C@@H]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000056780741 563941050 /nfs/dbraw/zinc/94/10/50/563941050.db2.gz AIXYSLNJALKDPX-MRXNPFEDSA-N 1 0 321.509 3.660 50 0 DHAARO CC(C)[C@@H]([NH2+]C1CCCCC1)c1nc(-c2cccnc2)no1 ZINC000162815749 563941750 /nfs/dbraw/zinc/94/17/50/563941750.db2.gz IXMBORLHSKPGLU-OAHLLOKOSA-N 1 0 300.406 3.751 50 0 DHAARO Cc1ccc(N2CCC([NH+]3CCC(c4cc[nH]n4)CC3)CC2)cc1 ZINC000670444254 563944195 /nfs/dbraw/zinc/94/41/95/563944195.db2.gz MRKLGNZBRSOEBU-UHFFFAOYSA-N 1 0 324.472 3.567 50 0 DHAARO Cc1ccc(N2CCC([N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)CC2)cc1 ZINC000670454633 563944747 /nfs/dbraw/zinc/94/47/47/563944747.db2.gz OCYYEOPNMQSOJC-QGZVFWFLSA-N 1 0 324.472 3.567 50 0 DHAARO C[NH2+][C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004061448 563945007 /nfs/dbraw/zinc/94/50/07/563945007.db2.gz LXUIGQVHABEBDW-XQTOBJRWSA-N 1 0 305.506 3.978 50 0 biogenic DHAARO Cc1cnc(C[N@@H+]2CCC[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000670457153 563945097 /nfs/dbraw/zinc/94/50/97/563945097.db2.gz OJNXKSGRPZSLRV-HNNXBMFYSA-N 1 0 301.821 3.818 50 0 DHAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3ccccc3c2)cc1 ZINC000008062795 563946437 /nfs/dbraw/zinc/94/64/37/563946437.db2.gz ANXWSLAWYDRGNM-UHFFFAOYSA-N 1 0 318.420 3.831 50 0 DHAARO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320163 563947936 /nfs/dbraw/zinc/94/79/36/563947936.db2.gz FHNLQMOTWOJGGY-UKRRQHHQSA-N 1 0 300.427 3.912 50 0 DHAARO CCC[N@H+](C[C@@H](O)COc1ccccc1C(C)C)CC1CC1 ZINC000008473391 563948801 /nfs/dbraw/zinc/94/88/01/563948801.db2.gz ULMYJICTIPPAJK-QGZVFWFLSA-N 1 0 305.462 3.672 50 0 DHAARO CC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008717268 563950219 /nfs/dbraw/zinc/95/02/19/563950219.db2.gz AGPGZIABSRTLFE-UHFFFAOYSA-N 1 0 312.413 3.827 50 0 DHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccco1 ZINC000008863098 563950941 /nfs/dbraw/zinc/95/09/41/563950941.db2.gz WNTOYEVPEIWCGO-OAHLLOKOSA-N 1 0 318.442 3.688 50 0 DHAARO C[C@H]([C@H](C)[NH2+]Cc1csc(-c2ccsc2)n1)n1cccn1 ZINC000069372518 563952682 /nfs/dbraw/zinc/95/26/82/563952682.db2.gz YXEKXFUUSREJKH-NWDGAFQWSA-N 1 0 318.471 3.807 50 0 DHAARO c1ccc2oc([C@@H]3CCC[N@@H+](C[C@@H]4CCCCO4)C3)nc2c1 ZINC000069876336 563955265 /nfs/dbraw/zinc/95/52/65/563955265.db2.gz PYEGMPUJZVMPGR-CABCVRRESA-N 1 0 300.402 3.576 50 0 DHAARO CCn1nc(C)c(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1C ZINC000069920847 563955358 /nfs/dbraw/zinc/95/53/58/563955358.db2.gz LZRJSTIVAIMWDV-UHFFFAOYSA-N 1 0 311.351 3.828 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000010017723 563958123 /nfs/dbraw/zinc/95/81/23/563958123.db2.gz SHJGRJGIHMCXBW-MRXNPFEDSA-N 1 0 317.820 3.764 50 0 DHAARO Cc1ccc(-n2ncc3c2ncnc3NC(C)C)cc1Cl ZINC000010386321 563958847 /nfs/dbraw/zinc/95/88/47/563958847.db2.gz RCQNDXOAPZRAMG-UHFFFAOYSA-N 1 0 301.781 3.598 50 0 DHAARO CCc1nccn1[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000071870652 563959512 /nfs/dbraw/zinc/95/95/12/563959512.db2.gz IDBYREJWXVVASX-HNNXBMFYSA-N 1 0 323.396 3.669 50 0 DHAARO C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000078517728 563960898 /nfs/dbraw/zinc/96/08/98/563960898.db2.gz LWPWQHFIJXQNOL-OAHLLOKOSA-N 1 0 318.461 3.779 50 0 DHAARO Cc1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)ccc1F ZINC000078552308 563961146 /nfs/dbraw/zinc/96/11/46/563961146.db2.gz QQHVQWSGXBQWJR-UHFFFAOYSA-N 1 0 309.388 3.669 50 0 DHAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)cc1 ZINC000014094762 568414747 /nfs/dbraw/zinc/41/47/47/568414747.db2.gz BFFJZSRLFHNXLZ-KBPBESRZSA-N 1 0 300.377 3.812 50 0 DHAARO CC(C)c1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000001475842 1015430543 /nfs/dbraw/zinc/43/05/43/1015430543.db2.gz ZCFFHUFCOKRLKD-KRWDZBQOSA-N 1 0 305.462 3.814 50 0 DHAARO Cc1cc2cc(NC(=O)CC[C@H]3CCCC[N@H+]3C)ccc2o1 ZINC000952860052 1032665801 /nfs/dbraw/zinc/66/58/01/1032665801.db2.gz AYOZUCKDSZZBRO-MRXNPFEDSA-N 1 0 300.402 3.944 50 0 DHAARO CC[C@H]1C=CC[N@@H+]1Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1 ZINC000952982964 1032682865 /nfs/dbraw/zinc/68/28/65/1032682865.db2.gz QRXFMYRMVWRKHK-HNNXBMFYSA-N 1 0 309.365 3.767 50 0 DHAARO COc1ccc2[nH]c(=O)c(C[NH2+][C@@H](C)C3=CCCCC3)cc2c1 ZINC000952990368 1032685190 /nfs/dbraw/zinc/68/51/90/1032685190.db2.gz XXHDFCZKOIVQPE-ZDUSSCGKSA-N 1 0 312.413 3.928 50 0 DHAARO Fc1ccc(CN2CCC[N@H+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000952990535 1032685551 /nfs/dbraw/zinc/68/55/51/1032685551.db2.gz QWOLVFNWXQKKMA-QGZVFWFLSA-N 1 0 302.437 3.690 50 0 DHAARO C[C@@H]([NH2+]CCCc1cccc(Br)c1)c1cnccn1 ZINC000089555552 1032748054 /nfs/dbraw/zinc/74/80/54/1032748054.db2.gz ZQODFQIXOSKPBW-GFCCVEGCSA-N 1 0 320.234 3.523 50 0 DHAARO CCOC[C@H]1CCC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187040206 1018902592 /nfs/dbraw/zinc/90/25/92/1018902592.db2.gz SWLXMBYKEWEPLB-ZDUSSCGKSA-N 1 0 320.458 3.553 50 0 DHAARO C/C=C(\C)C[NH2+][C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000011775695 1019222178 /nfs/dbraw/zinc/22/21/78/1019222178.db2.gz HVMYVEAXGXIARY-RRIZPTRRSA-N 1 0 313.367 3.625 50 0 DHAARO CCCc1ccc(C2=C[C@H](c3ccccc3)N3NC=NC3=[NH+]2)cc1 ZINC000198757250 1019348261 /nfs/dbraw/zinc/34/82/61/1019348261.db2.gz RXYZQEHTAFEAEP-LJQANCHMSA-N 1 0 316.408 3.939 50 0 DHAARO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)C1=CCCCC1 ZINC000012299650 1020038127 /nfs/dbraw/zinc/03/81/27/1020038127.db2.gz SBGKMQIBZGFMGX-SFHVURJKSA-N 1 0 304.478 3.648 50 0 DHAARO CCC[N@@H+](Cc1ccncc1)CC1=Cc2cccc(OC)c2OC1 ZINC000822910683 1020379163 /nfs/dbraw/zinc/37/91/63/1020379163.db2.gz MRTSTEBPOYVHDC-UHFFFAOYSA-N 1 0 324.424 3.778 50 0 DHAARO CCn1c(C)cc2cc(NC(=O)[C@H]3CCCCC[N@@H+]3C)ccc21 ZINC000823582565 1020431536 /nfs/dbraw/zinc/43/15/36/1020431536.db2.gz IQRSHOZLORRFDM-GOSISDBHSA-N 1 0 313.445 3.783 50 0 DHAARO Cc1csc(C[NH2+]C2CCN(c3ccccc3Cl)CC2)n1 ZINC000825258300 1020637497 /nfs/dbraw/zinc/63/74/97/1020637497.db2.gz OSJKBRMIINGYQD-UHFFFAOYSA-N 1 0 321.877 3.864 50 0 DHAARO CCCOc1ccc(-c2nn(-c3ccccc3)cc2C[NH3+])cc1 ZINC000827465677 1020769013 /nfs/dbraw/zinc/76/90/13/1020769013.db2.gz YMSSZYYIRGMPHF-UHFFFAOYSA-N 1 0 307.397 3.787 50 0 DHAARO Cc1nc([C@@H]2CCC[C@H]([NH3+])C2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000827541548 1020772191 /nfs/dbraw/zinc/77/21/91/1020772191.db2.gz TZBHVVPJJZQMSI-YPMHNXCESA-N 1 0 324.350 3.579 50 0 DHAARO Cc1c(F)cccc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000828172249 1020818360 /nfs/dbraw/zinc/81/83/60/1020818360.db2.gz NNHUVEFVKTZCDD-UHFFFAOYSA-N 1 0 312.388 3.982 50 0 DHAARO COc1cccc(C[N@@H+]2CC[C@@H](c3ncc(C)n3C(C)C)C2)c1 ZINC000581815657 1021849420 /nfs/dbraw/zinc/84/94/20/1021849420.db2.gz FGLMTFYWVWGOHP-QGZVFWFLSA-N 1 0 313.445 3.771 50 0 DHAARO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000108372351 1023550600 /nfs/dbraw/zinc/55/06/00/1023550600.db2.gz XNPBLQRQYDQCNS-IPYPFGDCSA-N 1 0 303.537 3.551 50 0 DHAARO CCn1ccc2cc(C[N@@H+]3CC[C@@H](n4nc(C)cc4C)C3)ccc21 ZINC000216463027 1024533286 /nfs/dbraw/zinc/53/32/86/1024533286.db2.gz SDVJSAXYKMLCMV-LJQANCHMSA-N 1 0 322.456 3.922 50 0 DHAARO NC(=O)c1ccc(C[N@H+](Cc2ccncc2)C2CCCCC2)cc1 ZINC000223290339 1024592102 /nfs/dbraw/zinc/59/21/02/1024592102.db2.gz ANPWBCWTMWJNAG-UHFFFAOYSA-N 1 0 323.440 3.515 50 0 DHAARO C[C@H]([NH2+]CCCNc1ccccc1)c1cc(Br)no1 ZINC000888098987 1024703868 /nfs/dbraw/zinc/70/38/68/1024703868.db2.gz SAYAYIDPCDPOFF-NSHDSACASA-N 1 0 324.222 3.590 50 0 DHAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc(-c2cc[nH]n2)s1 ZINC000215992136 1025205822 /nfs/dbraw/zinc/20/58/22/1025205822.db2.gz QRPOHWOXJKGWJK-UHFFFAOYSA-N 1 0 318.471 3.578 50 0 DHAARO CC[C@H](NC(=O)CC[NH+]1CCCCCCC1)c1cc(C)ccn1 ZINC000243902064 1025641626 /nfs/dbraw/zinc/64/16/26/1025641626.db2.gz BFPDYQKPUWPLNI-KRWDZBQOSA-N 1 0 317.477 3.614 50 0 DHAARO Cc1cc(C)cc(OCc2noc(CN(C(C)C)C3CC3)n2)c1 ZINC000178711550 1025876748 /nfs/dbraw/zinc/87/67/48/1025876748.db2.gz TXKXZSMMEMSOHK-UHFFFAOYSA-N 1 0 315.417 3.638 50 0 DHAARO Cc1cccn2cc(C[S@@](=O)C/C=C\c3ccccc3)nc12 ZINC000221840311 1026102164 /nfs/dbraw/zinc/10/21/64/1026102164.db2.gz FYNFUAUUVIODCR-LPLSSMDUSA-N 1 0 310.422 3.605 50 0 DHAARO COc1cc([C@H](C)[NH2+]C2CC(c3ccccc3F)C2)ccn1 ZINC000348753235 1026531402 /nfs/dbraw/zinc/53/14/02/1026531402.db2.gz IGMXIDFYNXYWGT-GRTSSRMGSA-N 1 0 300.377 3.826 50 0 DHAARO O=C(NC1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000012853771 1029546893 /nfs/dbraw/zinc/54/68/93/1029546893.db2.gz ROEUGCIRTOWMDJ-JXMROGBWSA-N 1 0 320.436 3.594 50 0 DHAARO COc1ccc(F)c(CN[C@@H]2CCCc3cnn(C(C)C)c32)c1 ZINC000585085840 1029684720 /nfs/dbraw/zinc/68/47/20/1029684720.db2.gz DLRQQNUPTQIXQD-QGZVFWFLSA-N 1 0 317.408 3.779 50 0 DHAARO CCc1ccc2occ(C(=O)N(CC)C3CC[NH+](C)CC3)c2c1 ZINC000585087872 1029710476 /nfs/dbraw/zinc/71/04/76/1029710476.db2.gz ZAHZRNKPGBZXJW-UHFFFAOYSA-N 1 0 314.429 3.552 50 0 DHAARO C[C@@H](OCc1ccccc1)[C@H](C)[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000585093642 1029738068 /nfs/dbraw/zinc/73/80/68/1029738068.db2.gz UIDSVGUKZLKINS-SFUIVIKGSA-N 1 0 303.446 3.527 50 0 DHAARO Cc1ccc(/C=C\C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000097514851 1033687470 /nfs/dbraw/zinc/68/74/70/1033687470.db2.gz OCGDZMUHYNKOHL-LENZSSGSSA-N 1 0 324.424 3.555 50 0 DHAARO CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@]3(C)CCCO)c2O1 ZINC000349125530 1038079408 /nfs/dbraw/zinc/07/94/08/1038079408.db2.gz DZMAXIYBKMOXHA-IBGZPJMESA-N 1 0 303.446 3.527 50 0 DHAARO C[NH+](C)[C@@H]1CCCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000173627583 1040351075 /nfs/dbraw/zinc/35/10/75/1040351075.db2.gz QDSCIAKHGNYXCE-CYBMUJFWSA-N 1 0 319.836 3.521 50 0 DHAARO Cc1cccc(Cl)c1NC(=O)N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000095498160 185374469 /nfs/dbraw/zinc/37/44/69/185374469.db2.gz QRVDAVAKGPXZNF-CYBMUJFWSA-N 1 0 321.852 3.739 50 0 DHAARO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](Cc2ccncc2)C1 ZINC000095500913 185374863 /nfs/dbraw/zinc/37/48/63/185374863.db2.gz DVVPABPRCRYFBO-FQEVSTJZSA-N 1 0 324.424 3.655 50 0 DHAARO O[C@H](C[N@H+](Cc1ccccc1)Cc1cccnc1)c1cccs1 ZINC000088616467 185259883 /nfs/dbraw/zinc/25/98/83/185259883.db2.gz FKDLMSJRUJCTBO-GOSISDBHSA-N 1 0 324.449 3.879 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@H](CC)C1 ZINC000089949001 185270721 /nfs/dbraw/zinc/27/07/21/185270721.db2.gz MYISRYVKJWFWIP-XLIONFOSSA-N 1 0 324.468 3.967 50 0 DHAARO C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2ccsc2S1 ZINC000090455477 185297290 /nfs/dbraw/zinc/29/72/90/185297290.db2.gz QXLKQBXMTODBIX-DRCTWCGVSA-N 1 0 305.472 3.544 50 0 DHAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000082108797 192356761 /nfs/dbraw/zinc/35/67/61/192356761.db2.gz UYNNBVOHUZHBAS-CQSZACIVSA-N 1 0 323.362 3.819 50 0 DHAARO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000090726018 185311418 /nfs/dbraw/zinc/31/14/18/185311418.db2.gz OEXZSQPHTPQBBX-DTWKUNHWSA-N 1 0 306.244 3.990 50 0 DHAARO Cc1sc2ncnc(NCC3([NH+](C)C)CCCCC3)c2c1C ZINC000008063217 190630144 /nfs/dbraw/zinc/63/01/44/190630144.db2.gz BSNYZWFXTFQBAB-UHFFFAOYSA-N 1 0 318.490 3.985 50 0 DHAARO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccccn1)c1ccco1 ZINC000095413231 185357966 /nfs/dbraw/zinc/35/79/66/185357966.db2.gz RALQCDQKKYIZEJ-IRXDYDNUSA-N 1 0 300.402 3.543 50 0 DHAARO COc1cc(OC)c([C@@H](C)[NH2+]CCc2ccccn2)cc1Cl ZINC000095419165 185359967 /nfs/dbraw/zinc/35/99/67/185359967.db2.gz IOEGCWWQINLBEV-GFCCVEGCSA-N 1 0 320.820 3.646 50 0 DHAARO COc1cc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)ccc1OC(C)C ZINC000095419744 185360008 /nfs/dbraw/zinc/36/00/08/185360008.db2.gz GAMVHCYTLYWFPN-HUUCEWRRSA-N 1 0 321.461 3.948 50 0 DHAARO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1C ZINC000095420347 185360250 /nfs/dbraw/zinc/36/02/50/185360250.db2.gz XBHCFFVUNZWADV-CQSZACIVSA-N 1 0 323.444 3.556 50 0 DHAARO CC(=O)Nc1ccc(CNc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000095429319 185362675 /nfs/dbraw/zinc/36/26/75/185362675.db2.gz GTSWVYDJCZTZMJ-UHFFFAOYSA-N 1 0 311.429 3.627 50 0 DHAARO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cncc(F)c1 ZINC000095421700 185360882 /nfs/dbraw/zinc/36/08/82/185360882.db2.gz SMSYHPZVZHSWII-LBPRGKRZSA-N 1 0 319.449 3.839 50 0 DHAARO COC(=O)CC1([NH2+]C[C@H](C)c2ccc(OC)cc2)CCCCC1 ZINC000095463717 185371282 /nfs/dbraw/zinc/37/12/82/185371282.db2.gz DOGQGAJCKQCJQW-HNNXBMFYSA-N 1 0 319.445 3.654 50 0 DHAARO COCCOCC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000170669647 197803764 /nfs/dbraw/zinc/80/37/64/197803764.db2.gz XYZLYVAWXRMMRM-JTQLQIEISA-N 1 0 324.273 3.685 50 0 DHAARO CC(C)c1nccn1C[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000071751867 191023871 /nfs/dbraw/zinc/02/38/71/191023871.db2.gz HBVOXGMIKDCERR-QGZVFWFLSA-N 1 0 301.409 3.983 50 0 DHAARO C[NH+](C)[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000072150630 191055935 /nfs/dbraw/zinc/05/59/35/191055935.db2.gz DNCFRPRDBWMHFV-KRWDZBQOSA-N 1 0 322.880 3.605 50 0 DHAARO Clc1ccc(OC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000072172927 191069566 /nfs/dbraw/zinc/06/95/66/191069566.db2.gz RGJJHJNWTLWFIO-UHFFFAOYSA-N 1 0 302.805 3.778 50 0 DHAARO Cc1n[nH]cc1C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000072271481 191094450 /nfs/dbraw/zinc/09/44/50/191094450.db2.gz RGYMEMZGNCKREV-LJQANCHMSA-N 1 0 307.397 3.628 50 0 DHAARO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CC ZINC000225669042 186288401 /nfs/dbraw/zinc/28/84/01/186288401.db2.gz XKFDCSDXMAMYEP-KKUMJFAQSA-N 1 0 304.434 3.581 50 0 DHAARO Cc1ncc(C[NH2+][C@@H]2CCOc3ccccc32)n1-c1ccccc1 ZINC000072307109 191118016 /nfs/dbraw/zinc/11/80/16/191118016.db2.gz DWEUJRKHYLBJIH-LJQANCHMSA-N 1 0 319.408 3.794 50 0 DHAARO CCOc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000072333672 191124755 /nfs/dbraw/zinc/12/47/55/191124755.db2.gz QAAWHEZINKKLLN-UHFFFAOYSA-N 1 0 302.462 3.536 50 0 DHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cccc(Cl)c2)C1 ZINC000072437222 191165538 /nfs/dbraw/zinc/16/55/38/191165538.db2.gz QCTSJKITNLSJAD-CYBMUJFWSA-N 1 0 309.841 3.584 50 0 DHAARO O=C(c1cccc(Cl)c1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000000317516 180757843 /nfs/dbraw/zinc/75/78/43/180757843.db2.gz YEOIHFMCVQJYRG-UHFFFAOYSA-N 1 0 320.864 3.821 50 0 DHAARO Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 ZINC000002966480 180972893 /nfs/dbraw/zinc/97/28/93/180972893.db2.gz HKVOBOFLHBOLHL-OAQYLSRUSA-N 1 0 321.444 3.645 50 0 DHAARO CC[NH+](CC)CCOc1ccc(/C=C/c2cc(C)no2)cc1 ZINC000003110537 180982141 /nfs/dbraw/zinc/98/21/41/180982141.db2.gz FIQHCQLSUGIIRB-DHZHZOJOSA-N 1 0 300.402 3.874 50 0 DHAARO CCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000003434369 181018817 /nfs/dbraw/zinc/01/88/17/181018817.db2.gz VHMWXAMSFWEUEL-CABCVRRESA-N 1 0 323.477 3.511 50 0 DHAARO Clc1cc(Br)ccc1OCCC[NH+]1CCCC1 ZINC000003461238 181023641 /nfs/dbraw/zinc/02/36/41/181023641.db2.gz FPKQODYADOHRNX-UHFFFAOYSA-N 1 0 318.642 3.967 50 0 DHAARO Cc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000003504453 181027657 /nfs/dbraw/zinc/02/76/57/181027657.db2.gz QBHRBVVAYOFIHG-KRWDZBQOSA-N 1 0 312.413 3.545 50 0 DHAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cccc(C)c2)CC1 ZINC000003589508 181037781 /nfs/dbraw/zinc/03/77/81/181037781.db2.gz SYEKFVRNHMEHTQ-UHFFFAOYSA-N 1 0 319.518 3.888 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C)c2ccccc12 ZINC000003655844 181044484 /nfs/dbraw/zinc/04/44/84/181044484.db2.gz GDDCYANZONIPGV-BJZITVGISA-N 1 0 314.473 3.787 50 0 DHAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000004029229 181064243 /nfs/dbraw/zinc/06/42/43/181064243.db2.gz RCCAMDAESPSZNB-ZBFHGGJFSA-N 1 0 307.821 3.761 50 0 biogenic DHAARO CCCC[C@H](C(=O)Nc1ccc2c(c1)C[C@@H](C)O2)[NH+](CC)CC ZINC000004063965 181068482 /nfs/dbraw/zinc/06/84/82/181068482.db2.gz VCXCSUROFHCUQZ-RHSMWYFYSA-N 1 0 318.461 3.849 50 0 biogenic DHAARO CCCC[C@H](C(=O)Nc1ccc2c(c1)C[C@H](C)O2)[NH+](CC)CC ZINC000004063961 181068490 /nfs/dbraw/zinc/06/84/90/181068490.db2.gz VCXCSUROFHCUQZ-WMLDXEAASA-N 1 0 318.461 3.849 50 0 biogenic DHAARO C[C@H]1CCC[C@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004133692 181077128 /nfs/dbraw/zinc/07/71/28/181077128.db2.gz RVWFFGFGNAMNDI-YOEHRIQHSA-N 1 0 320.864 3.677 50 0 DHAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004133690 181077531 /nfs/dbraw/zinc/07/75/31/181077531.db2.gz RVWFFGFGNAMNDI-PBHICJAKSA-N 1 0 320.864 3.677 50 0 DHAARO O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004212155 181085286 /nfs/dbraw/zinc/08/52/86/181085286.db2.gz YSXKPIUOCJLQIE-JYRKZWEQSA-N 1 0 311.469 3.962 50 0 in-vitro DHAARO O=C(Nc1ccccc1F)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004451292 181109704 /nfs/dbraw/zinc/10/97/04/181109704.db2.gz HVIUQKDBHLZZEJ-CZUORRHYSA-N 1 0 306.381 3.639 50 0 DHAARO Cc1ccc(NC(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004577404 181126776 /nfs/dbraw/zinc/12/67/76/181126776.db2.gz YCRSHLANMADACD-NVXWUHKLSA-N 1 0 302.418 3.808 50 0 DHAARO CCOC(=O)C1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000004670136 181134819 /nfs/dbraw/zinc/13/48/19/181134819.db2.gz XXJMCUGIMYCYKX-UHFFFAOYSA-N 1 0 309.837 3.799 50 0 DHAARO CCOc1ccccc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000004745507 181147162 /nfs/dbraw/zinc/14/71/62/181147162.db2.gz BKUVUYPWDWTVAU-UHFFFAOYSA-N 1 0 316.489 3.926 50 0 DHAARO CC[NH+](CC)CCNc1ncnc2sc3c(c21)C[C@@H](C)CC3 ZINC000005033089 181193658 /nfs/dbraw/zinc/19/36/58/181193658.db2.gz IMWLHHPIVNYXAE-LBPRGKRZSA-N 1 0 318.490 3.570 50 0 DHAARO COc1ccc2[nH]c(C)c(C(=O)C[NH+]3[C@@H](C)CCC[C@@H]3C)c2c1 ZINC000005119002 181205098 /nfs/dbraw/zinc/20/50/98/181205098.db2.gz QUHNCOFYZXPAOI-STQMWFEESA-N 1 0 314.429 3.931 50 0 DHAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1(c2ccccc2)CC1 ZINC000078355243 191851342 /nfs/dbraw/zinc/85/13/42/191851342.db2.gz FFIGPJMDLZZBPJ-INIZCTEOSA-N 1 0 308.425 3.725 50 0 DHAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000005559757 181257513 /nfs/dbraw/zinc/25/75/13/181257513.db2.gz OMMABXQBKXLFFT-OXJNMPFZSA-N 1 0 321.420 3.930 50 0 DHAARO CCCCCOC(=O)CSc1sc2ccccc2[n+]1C ZINC000005502878 181250735 /nfs/dbraw/zinc/25/07/35/181250735.db2.gz NCYNYZZVPGIMMJ-UHFFFAOYSA-N 1 0 310.464 3.551 50 0 DHAARO CCc1ccc(CC)c(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000237133436 202162704 /nfs/dbraw/zinc/16/27/04/202162704.db2.gz LEDIOJJMUQGOMQ-ZXFUBFMLSA-N 1 0 300.446 3.671 50 0 DHAARO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000237393827 202253416 /nfs/dbraw/zinc/25/34/16/202253416.db2.gz WITIWHTWCLSDHD-NEPJUHHUSA-N 1 0 320.820 3.656 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc3ccccc3s2)C1 ZINC000188156487 200202018 /nfs/dbraw/zinc/20/20/18/200202018.db2.gz BMHLVSKIGLAEOX-JSGCOSHPSA-N 1 0 302.443 3.563 50 0 DHAARO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000237699631 202332587 /nfs/dbraw/zinc/33/25/87/202332587.db2.gz CFUFKZZOSMBOBD-KSSFIOAISA-N 1 0 318.436 3.515 50 0 DHAARO CC[C@@H](C)[C@H]([NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006554895 181354117 /nfs/dbraw/zinc/35/41/17/181354117.db2.gz YLLWFPVPWZUFOD-YJYMSZOUSA-N 1 0 309.409 3.716 50 0 DHAARO Cc1ccc(-c2ccccc2-c2cn([C@H](C)C[NH+](C)C)nn2)o1 ZINC000091643817 193084053 /nfs/dbraw/zinc/08/40/53/193084053.db2.gz SCISLNTZEPQPMS-CYBMUJFWSA-N 1 0 310.401 3.636 50 0 DHAARO CCS[C@H]1CCCC[N@H+](Cc2sc(N(C)C)nc2C)C1 ZINC000093361858 193238082 /nfs/dbraw/zinc/23/80/82/193238082.db2.gz QMJSNOGYPFMYEF-ZDUSSCGKSA-N 1 0 313.536 3.625 50 0 DHAARO [NH3+]C1(CC(=O)N(Cc2cccs2)Cc2cccs2)CCC1 ZINC000094294397 193357032 /nfs/dbraw/zinc/35/70/32/193357032.db2.gz QHSVNOHGRZBCIL-UHFFFAOYSA-N 1 0 320.483 3.610 50 0 DHAARO C[C@@H]([NH2+]Cc1ccccc1OCCO)c1ccc(Cl)cc1 ZINC000095423119 193443506 /nfs/dbraw/zinc/44/35/06/193443506.db2.gz ACXANRNFUZOSLQ-CYBMUJFWSA-N 1 0 305.805 3.562 50 0 DHAARO COc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)c(F)c1 ZINC000095967727 193464834 /nfs/dbraw/zinc/46/48/34/193464834.db2.gz IXUMBGROLHWLPR-GTNSWQLSSA-N 1 0 301.361 3.878 50 0 DHAARO C[C@@H](c1cccc(-c2ccc(Cl)c(C(N)=O)c2)c1)[NH+](C)C ZINC000096139568 193550060 /nfs/dbraw/zinc/55/00/60/193550060.db2.gz HMDPDUHEZJGINK-NSHDSACASA-N 1 0 302.805 3.729 50 0 DHAARO C[C@@H](c1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1)[NH+]1CCCC1 ZINC000096153008 193554304 /nfs/dbraw/zinc/55/43/04/193554304.db2.gz QQZGGENJRJBFRD-JTQLQIEISA-N 1 0 310.323 3.647 50 0 DHAARO C[N@@H+]1CCCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000012740517 181791007 /nfs/dbraw/zinc/79/10/07/181791007.db2.gz DDCFERBSDXLCSX-UHFFFAOYSA-N 1 0 324.453 3.500 50 0 DHAARO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000015724310 182013768 /nfs/dbraw/zinc/01/37/68/182013768.db2.gz SUTOUUYYHLUZDJ-MRXNPFEDSA-N 1 0 307.478 3.848 50 0 DHAARO CCc1cc(OCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000016247509 182038467 /nfs/dbraw/zinc/03/84/67/182038467.db2.gz YGPXOYRAXDAZHM-OKILXGFUSA-N 1 0 311.853 3.781 50 0 DHAARO Fc1ccc(C2=CC[N@H+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000016662623 182056484 /nfs/dbraw/zinc/05/64/84/182056484.db2.gz OIZUDYRIWSMTCE-UHFFFAOYSA-N 1 0 311.356 3.844 50 0 DHAARO Fc1ccc(C[C@H]2C[N@H+](Cc3c[nH]c4ccccc34)CCO2)cc1 ZINC000019145648 182106064 /nfs/dbraw/zinc/10/60/64/182106064.db2.gz XOYRYFCHOIUBAX-SFHVURJKSA-N 1 0 324.399 3.751 50 0 DHAARO C/C(=C\c1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019368159 182119981 /nfs/dbraw/zinc/11/99/81/182119981.db2.gz ZOFCWVPRFCGNLK-KNTRCKAVSA-N 1 0 306.453 3.908 50 0 DHAARO C[NH+]1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019536679 182129373 /nfs/dbraw/zinc/12/93/73/182129373.db2.gz BXSWMSHTCVMDQS-UHFFFAOYSA-N 1 0 318.505 3.735 50 0 DHAARO COc1ccc(CC[N@H+](C)Cc2cccc(F)c2)cc1OC ZINC000019606944 182132938 /nfs/dbraw/zinc/13/29/38/182132938.db2.gz WLMJQBWVWQTLSN-UHFFFAOYSA-N 1 0 303.377 3.517 50 0 DHAARO O=C(Nc1c[nH]c2ccccc12)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000019773986 182145733 /nfs/dbraw/zinc/14/57/33/182145733.db2.gz HCWGPZBZUMQZFZ-CYBMUJFWSA-N 1 0 311.410 3.906 50 0 DHAARO CCc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019842385 182155510 /nfs/dbraw/zinc/15/55/10/182155510.db2.gz YQPHRNDPMZKEPU-FXAWDEMLSA-N 1 0 300.490 3.945 50 0 DHAARO CN(C)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000019872314 182159174 /nfs/dbraw/zinc/15/91/74/182159174.db2.gz XNMBSXOODBHNGL-UHFFFAOYSA-N 1 0 313.228 3.905 50 0 DHAARO Cc1ccc(C(C)C)c(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020118228 182189181 /nfs/dbraw/zinc/18/91/81/182189181.db2.gz WLEZBYKAMHZLDO-IAGOWNOFSA-N 1 0 305.462 3.997 50 0 DHAARO COCCN1CCC[C@@]2(CC[N@@H+](C3CCCCCCC3)C2)C1 ZINC000020211795 182197235 /nfs/dbraw/zinc/19/72/35/182197235.db2.gz TZCQCNPPWDPXSK-LJQANCHMSA-N 1 0 308.510 3.534 50 0 DHAARO CC1=C(CC[N@H+]2CCN(C(C)C)[C@@H](CCO)C2)C(C)(C)CCC1 ZINC000020363715 182211564 /nfs/dbraw/zinc/21/15/64/182211564.db2.gz KFDIJWYEMTYRGK-SFHVURJKSA-N 1 0 322.537 3.680 50 0 DHAARO CC(C)C[C@@H](C[NH2+]Cc1cc(Br)cs1)N(C)C ZINC000020475169 182221410 /nfs/dbraw/zinc/22/14/10/182221410.db2.gz NUFJTYTWRVJGHP-LBPRGKRZSA-N 1 0 319.312 3.577 50 0 DHAARO C[NH+]1CCN(CCCOc2ccc3ccccc3c2Cl)CC1 ZINC000020639752 182240999 /nfs/dbraw/zinc/24/09/99/182240999.db2.gz OCFMFSSLGJCPTI-UHFFFAOYSA-N 1 0 318.848 3.510 50 0 DHAARO CC(C)CC[C@@]1(CC[NH2+]CCN(C)C)CCO[C@H](C(C)C)C1 ZINC000020649287 182241485 /nfs/dbraw/zinc/24/14/85/182241485.db2.gz SDZRWKJHFVQPCS-RBUKOAKNSA-N 1 0 312.542 3.785 50 0 DHAARO Cc1nn(C(C)C)c(C)c1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000097742604 193752249 /nfs/dbraw/zinc/75/22/49/193752249.db2.gz VXFFHIMLUJMBDB-UHFFFAOYSA-N 1 0 323.444 3.557 50 0 DHAARO CSCCC[NH+]1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000020780337 182246781 /nfs/dbraw/zinc/24/67/81/182246781.db2.gz CBFRQWQPRFOMMR-UHFFFAOYSA-N 1 0 320.502 3.870 50 0 DHAARO O=C(c1ccc(F)cc1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170396 182268478 /nfs/dbraw/zinc/26/84/78/182268478.db2.gz ZDRSEWISQOMKLL-SFHVURJKSA-N 1 0 318.436 3.696 50 0 DHAARO CCN(CC)CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000022027674 182304812 /nfs/dbraw/zinc/30/48/12/182304812.db2.gz UYTQYOQXPOGPPS-ZDUSSCGKSA-N 1 0 302.384 3.568 50 0 DHAARO FC(F)(F)c1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000022127440 182309828 /nfs/dbraw/zinc/30/98/28/182309828.db2.gz HLMJOIZGABPANJ-KRWDZBQOSA-N 1 0 320.358 3.700 50 0 DHAARO C[N@H+](CCc1ccccn1)Cc1cc(Br)cs1 ZINC000023114976 182348709 /nfs/dbraw/zinc/34/87/09/182348709.db2.gz UOAYWMILSFJUOF-UHFFFAOYSA-N 1 0 311.248 3.580 50 0 DHAARO Cc1ccccc1[C@@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000023338485 182357176 /nfs/dbraw/zinc/35/71/76/182357176.db2.gz DOTVOVWLDYGGKS-MRXNPFEDSA-N 1 0 311.429 3.710 50 0 DHAARO FC(F)(F)CCC[NH2+][C@H]1CCCN(CC2CCCCC2)C1 ZINC000023358510 182358152 /nfs/dbraw/zinc/35/81/52/182358152.db2.gz RGDMUEHPOQKTJY-HNNXBMFYSA-N 1 0 306.416 3.963 50 0 DHAARO OCC[C@H]1CN(CC2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000023374176 182358793 /nfs/dbraw/zinc/35/87/93/182358793.db2.gz VNASBOLHKIJHSV-FQEVSTJZSA-N 1 0 322.537 3.516 50 0 DHAARO C[NH2+]Cc1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 ZINC000024081539 182374924 /nfs/dbraw/zinc/37/49/24/182374924.db2.gz CUBTUSXIPYYAGX-UHFFFAOYSA-N 1 0 305.425 3.935 50 0 DHAARO Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000024761665 182390095 /nfs/dbraw/zinc/39/00/95/182390095.db2.gz RBVWKWWFVYUWQN-UHFFFAOYSA-N 1 0 311.429 3.591 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000038673441 183006342 /nfs/dbraw/zinc/00/63/42/183006342.db2.gz FLHVTJCDPBKREQ-CQSZACIVSA-N 1 0 323.849 3.826 50 0 DHAARO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000040017887 183028006 /nfs/dbraw/zinc/02/80/06/183028006.db2.gz XNARDKRWPUOOMJ-OAHLLOKOSA-N 1 0 310.441 3.835 50 0 DHAARO CCSc1ccccc1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000040151899 183040280 /nfs/dbraw/zinc/04/02/80/183040280.db2.gz LRGWIOYTNUDKKI-UHFFFAOYSA-N 1 0 321.490 3.795 50 0 DHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(F)cc(F)c1 ZINC000040086935 183032183 /nfs/dbraw/zinc/03/21/83/183032183.db2.gz LAWDIJMOGGDKOI-UHFFFAOYSA-N 1 0 316.351 3.813 50 0 DHAARO O[C@H](C[NH2+]Cc1c(F)cccc1Cl)c1ccc(F)cc1F ZINC000040088607 183032823 /nfs/dbraw/zinc/03/28/23/183032823.db2.gz SEVIHQXFPVWORK-OAHLLOKOSA-N 1 0 315.722 3.581 50 0 DHAARO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc(C)c1 ZINC000040091434 183033432 /nfs/dbraw/zinc/03/34/32/183033432.db2.gz MQBVRGRQTIPCEO-UHFFFAOYSA-N 1 0 305.466 3.827 50 0 DHAARO CC(C)c1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000042774721 183307553 /nfs/dbraw/zinc/30/75/53/183307553.db2.gz NFAFEXSQKSOORH-UHFFFAOYSA-N 1 0 312.251 3.951 50 0 DHAARO CC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774763 183307716 /nfs/dbraw/zinc/30/77/16/183307716.db2.gz ZKCOQRLXBYJZCY-GFCCVEGCSA-N 1 0 312.251 3.877 50 0 DHAARO CCCCc1cn(C2CC[NH+](C3CCCCCC3)CC2)nn1 ZINC000048135044 183622438 /nfs/dbraw/zinc/62/24/38/183622438.db2.gz MVRBGFRYDQLNMY-UHFFFAOYSA-N 1 0 304.482 3.980 50 0 DHAARO Cc1nc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000110669345 194348663 /nfs/dbraw/zinc/34/86/63/194348663.db2.gz PMLMDPDPFAPKBN-YOEHRIQHSA-N 1 0 315.486 3.594 50 0 DHAARO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000056511457 184014418 /nfs/dbraw/zinc/01/44/18/184014418.db2.gz VFPLOZCHNHLBEU-HNNXBMFYSA-N 1 0 322.452 3.891 50 0 DHAARO CCCC[NH2+][C@@H]1C(C)=C(C)C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000057270775 184031660 /nfs/dbraw/zinc/03/16/60/184031660.db2.gz SSBLOYDKKYDGAY-KXBFYZLASA-N 1 0 314.473 3.902 50 0 DHAARO Cc1ccc([C@@H](C(=O)NC2CCCC2)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000058012615 184066841 /nfs/dbraw/zinc/06/68/41/184066841.db2.gz OYCCRLOXRRVOJL-LPHOPBHVSA-N 1 0 314.473 3.827 50 0 DHAARO CCc1cccc(C)c1NC(=O)C[NH2+]Cc1cccc(Cl)c1 ZINC000058160399 184081875 /nfs/dbraw/zinc/08/18/75/184081875.db2.gz GANFEWGSISDXFK-UHFFFAOYSA-N 1 0 316.832 3.939 50 0 DHAARO Cc1ccccc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000065363052 184328190 /nfs/dbraw/zinc/32/81/90/184328190.db2.gz CRWDKTNYBCKUIP-UHFFFAOYSA-N 1 0 324.424 3.720 50 0 DHAARO CC(C)(C)n1cc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cn1 ZINC000065475938 184352165 /nfs/dbraw/zinc/35/21/65/184352165.db2.gz NKZBTJMDRBIEOA-MRXNPFEDSA-N 1 0 317.408 3.781 50 0 DHAARO O=C(Nc1ccccc1-c1ccccc1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065398666 184336733 /nfs/dbraw/zinc/33/67/33/184336733.db2.gz SLJASDQFHDMVAW-SJORKVTESA-N 1 0 321.424 3.712 50 0 DHAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1onc2ccccc21 ZINC000065398742 184336823 /nfs/dbraw/zinc/33/68/23/184336823.db2.gz NBDIWHKGDVAIJQ-UHFFFAOYSA-N 1 0 319.368 3.902 50 0 DHAARO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000065528304 184360062 /nfs/dbraw/zinc/36/00/62/184360062.db2.gz BERYOWOKMRUKCR-DRZUXFPHSA-N 1 0 318.505 3.582 50 0 DHAARO COc1ccc(OCC[N@H+](C)Cc2cccc3cnccc32)cc1 ZINC000065535097 184362574 /nfs/dbraw/zinc/36/25/74/184362574.db2.gz PPLFKEZYDCIQGS-UHFFFAOYSA-N 1 0 322.408 3.754 50 0 DHAARO Cc1cccc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2F)c1C ZINC000065494189 184355070 /nfs/dbraw/zinc/35/50/70/184355070.db2.gz HPGJJWTZMFHGPR-UHFFFAOYSA-N 1 0 320.795 3.824 50 0 DHAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)s1)[C@H](C)n1cccn1 ZINC000069418070 184513328 /nfs/dbraw/zinc/51/33/28/184513328.db2.gz ZLZVEJZFASRVEB-KGLIPLIRSA-N 1 0 312.442 3.746 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000157237091 197172457 /nfs/dbraw/zinc/17/24/57/197172457.db2.gz XMPSKZSAWMRXOM-ZBFHGGJFSA-N 1 0 318.461 3.525 50 0 DHAARO [NH3+]Cc1ccc(C(=O)N(CCc2ccccc2)c2ccccc2)o1 ZINC000153425213 196877633 /nfs/dbraw/zinc/87/76/33/196877633.db2.gz WTVPCDCJMATNBX-UHFFFAOYSA-N 1 0 320.392 3.628 50 0 DHAARO CCOC(=O)[C@H]1C(=[NH2+])c2cc(OC)ccc2[C@H]1Cc1ccccc1 ZINC000524735316 257213703 /nfs/dbraw/zinc/21/37/03/257213703.db2.gz RHSZUNZXRSUSGK-SJLPKXTDSA-N 1 0 323.392 3.582 50 0 DHAARO CC[C@@H](C[NH+](C)C)NC(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000426651420 257244111 /nfs/dbraw/zinc/24/41/11/257244111.db2.gz VENCVMOVVAVBOX-SFHVURJKSA-N 1 0 314.404 3.563 50 0 DHAARO FC1(F)Oc2cccc(-c3ccc(C[NH+]4CCCC4)cn3)c2O1 ZINC000426536228 257247958 /nfs/dbraw/zinc/24/79/58/257247958.db2.gz DVRQXWDLKBUQHU-UHFFFAOYSA-N 1 0 318.323 3.666 50 0 DHAARO Cc1cn2c(cccc2-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000426389903 257252304 /nfs/dbraw/zinc/25/23/04/257252304.db2.gz SCPGPDHHJXAZDW-MRXNPFEDSA-N 1 0 321.424 3.703 50 0 DHAARO Cc1cn2c(cccc2-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000426389894 257252486 /nfs/dbraw/zinc/25/24/86/257252486.db2.gz SCPGPDHHJXAZDW-INIZCTEOSA-N 1 0 321.424 3.703 50 0 DHAARO CC[C@@H]1CCC[N@H+](C[C@H]2CO[C@H](c3ccc(Cl)cc3)O2)C1 ZINC000240333441 257259749 /nfs/dbraw/zinc/25/97/49/257259749.db2.gz FDFYOMATIOQVAJ-COXVUDFISA-N 1 0 309.837 3.876 50 0 DHAARO COc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000002811181 134451471 /nfs/dbraw/zinc/45/14/71/134451471.db2.gz QCSSMAGAIAZNSP-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO COC(=O)C[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2C)CC1 ZINC000328600514 533712007 /nfs/dbraw/zinc/71/20/07/533712007.db2.gz YCRLKHPHYVSJHO-KRWDZBQOSA-N 1 0 303.446 3.777 50 0 DHAARO CC(C)C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccn1 ZINC000095420064 332170117 /nfs/dbraw/zinc/17/01/17/332170117.db2.gz BQTNLPVZWJHXBP-IBGZPJMESA-N 1 0 324.472 3.954 50 0 DHAARO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC1(CO)CCCC1 ZINC000534586675 334292232 /nfs/dbraw/zinc/29/22/32/334292232.db2.gz QCCCRNYSVCUUSO-HNNXBMFYSA-N 1 0 300.446 3.631 50 0 DHAARO Clc1ccc([C@@H](C[NH2+]C2CCOCC2)N2CCCCC2)cc1 ZINC000534634705 334308732 /nfs/dbraw/zinc/30/87/32/334308732.db2.gz BBWNATDOIOCOJH-GOSISDBHSA-N 1 0 322.880 3.636 50 0 DHAARO CCn1cc(C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)c(C)n1 ZINC000534655923 334313791 /nfs/dbraw/zinc/31/37/91/334313791.db2.gz TUFGZYIAJZKICD-AWEZNQCLSA-N 1 0 310.445 3.804 50 0 DHAARO Clc1ccc(-c2cc(C[NH2+][C@@H]3CCCSC3)on2)cc1 ZINC000534672332 334321046 /nfs/dbraw/zinc/32/10/46/334321046.db2.gz RYSPUAHGONDASJ-CYBMUJFWSA-N 1 0 308.834 3.980 50 0 DHAARO CCOCC(C)(C)C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000344085320 335216448 /nfs/dbraw/zinc/21/64/48/335216448.db2.gz PVWPIVRMHIRBLH-INIZCTEOSA-N 1 0 307.434 3.561 50 0 DHAARO CCC[C@]1(CO)CCN(Cc2csc(CCC(C)C)n2)C1 ZINC000344270759 335234918 /nfs/dbraw/zinc/23/49/18/335234918.db2.gz MIPFBFRYXQVFRA-KRWDZBQOSA-N 1 0 310.507 3.716 50 0 DHAARO c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000011937917 337229311 /nfs/dbraw/zinc/22/93/11/337229311.db2.gz PPSCQAPLSVLYQZ-IBGZPJMESA-N 1 0 308.425 3.698 50 0 DHAARO Cc1ccc(-c2ccc(NC(=O)N3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000299762853 534187481 /nfs/dbraw/zinc/18/74/81/534187481.db2.gz CGGPSHLJGAULEL-KRWDZBQOSA-N 1 0 309.413 3.617 50 0 DHAARO Cc1ccsc1-c1cccc(C(=O)N2CCC[C@H]([NH3+])CC2)c1 ZINC000299785505 534453685 /nfs/dbraw/zinc/45/36/85/534453685.db2.gz SQTUJEUAPKTJDY-INIZCTEOSA-N 1 0 314.454 3.677 50 0 DHAARO c1cncc(C[NH2+][C@H]2CCOc3ccc(-c4cccnc4)cc32)c1 ZINC000299803837 534510149 /nfs/dbraw/zinc/51/01/49/534510149.db2.gz GTWMBXIVWCTTBK-IBGZPJMESA-N 1 0 317.392 3.757 50 0 DHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1 ZINC000048333590 563696439 /nfs/dbraw/zinc/69/64/39/563696439.db2.gz XEXRANFHEIQQDO-CVEARBPZSA-N 1 0 322.518 3.794 50 0 DHAARO Cc1cc(C)c(OCCOCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000014113750 563395955 /nfs/dbraw/zinc/39/59/55/563395955.db2.gz KYZBZDUFCWMQBG-UHFFFAOYSA-N 1 0 305.462 3.739 50 0 DHAARO C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000037020893 563457030 /nfs/dbraw/zinc/45/70/30/563457030.db2.gz BHJSUOSPYWNLPB-JQWIXIFHSA-N 1 0 308.834 3.669 50 0 DHAARO CC[NH+](CC)CCn1c2ccccc2nc1Cc1ccccc1 ZINC000000255075 563234283 /nfs/dbraw/zinc/23/42/83/563234283.db2.gz SLARNFUTJISNHU-UHFFFAOYSA-N 1 0 307.441 3.969 50 0 DHAARO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000000279858 563235348 /nfs/dbraw/zinc/23/53/48/563235348.db2.gz KSWHYEJFCPWUJD-KRWDZBQOSA-N 1 0 312.432 3.969 50 0 DHAARO CCOc1ccc(Br)cc1C[NH2+]Cc1cccnc1 ZINC000000360207 563244448 /nfs/dbraw/zinc/24/44/48/563244448.db2.gz SRZTYCDEYVPWHU-UHFFFAOYSA-N 1 0 321.218 3.533 50 0 DHAARO Cc1cc(-c2ccccc2)[n+]2cc(Br)ccc2n1 ZINC000000435480 563254053 /nfs/dbraw/zinc/25/40/53/563254053.db2.gz JMVDJYTZJTYIDX-UHFFFAOYSA-N 1 0 300.179 3.558 50 0 DHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000002164632 563300837 /nfs/dbraw/zinc/30/08/37/563300837.db2.gz LWGPQGCCDUPZBP-ZDUSSCGKSA-N 1 0 309.841 3.726 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(Cl)c1 ZINC000002164626 563300867 /nfs/dbraw/zinc/30/08/67/563300867.db2.gz NYIWXAUAFMKBGT-CYBMUJFWSA-N 1 0 309.841 3.726 50 0 DHAARO CC[C@H]1CCCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000002465913 563303546 /nfs/dbraw/zinc/30/35/46/563303546.db2.gz MSXPFGURNNALCW-IBGZPJMESA-N 1 0 300.490 3.958 50 0 DHAARO CCOC(=O)CCCC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514542 563305054 /nfs/dbraw/zinc/30/50/54/563305054.db2.gz BZQJWZJHAIYNAH-UHFFFAOYSA-N 1 0 317.429 3.589 50 0 DHAARO CCOC(=O)CCCC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515043 563306317 /nfs/dbraw/zinc/30/63/17/563306317.db2.gz QLXHSPCLPLVJBY-UHFFFAOYSA-N 1 0 317.429 3.589 50 0 DHAARO CC[NH+]1CCN(Cc2cncc(-c3cc(C)ccc3C)c2)CC1 ZINC000034669343 563311041 /nfs/dbraw/zinc/31/10/41/563311041.db2.gz HSNQEVLIPQTBPC-UHFFFAOYSA-N 1 0 309.457 3.503 50 0 DHAARO CCCC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000002765098 563313165 /nfs/dbraw/zinc/31/31/65/563313165.db2.gz SVFKWGUHMZZZLP-UHFFFAOYSA-N 1 0 313.239 3.510 50 0 DHAARO C[C@@H]1CCC[N@H+](CCC(=O)c2ccc(Br)cc2)C1 ZINC000002882017 563317054 /nfs/dbraw/zinc/31/70/54/563317054.db2.gz LTVWWXITZWRJJV-GFCCVEGCSA-N 1 0 310.235 3.754 50 0 DHAARO Cc1ccc(C(C)C)cc1OCCOCC[NH+]1CCCCC1 ZINC000003003906 563321042 /nfs/dbraw/zinc/32/10/42/563321042.db2.gz PCHRJDPFXRWDIY-UHFFFAOYSA-N 1 0 305.462 4.000 50 0 DHAARO COc1cccc(N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1 ZINC000004980400 563328202 /nfs/dbraw/zinc/32/82/02/563328202.db2.gz TVSYUWGMBIUIRV-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO CC(=O)c1ccc(N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000006667522 563333338 /nfs/dbraw/zinc/33/33/38/563333338.db2.gz HVVXBSVAIPJESK-UHFFFAOYSA-N 1 0 300.446 3.592 50 0 DHAARO C[C@H](N[C@@H](C)c1ccncc1)c1nc(-c2cccs2)no1 ZINC000097370699 563336392 /nfs/dbraw/zinc/33/63/92/563336392.db2.gz YOOJAUVNNRCMJE-QWRGUYRKSA-N 1 0 300.387 3.605 50 0 DHAARO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)cs2)cc1 ZINC000119060563 563342557 /nfs/dbraw/zinc/34/25/57/563342557.db2.gz SLQGKRUGIJXZCA-MRXNPFEDSA-N 1 0 316.470 3.854 50 0 DHAARO Cc1cccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCCC3)c1 ZINC000002974648 563345227 /nfs/dbraw/zinc/34/52/27/563345227.db2.gz ONXNSWKRWJJPEM-OAQYLSRUSA-N 1 0 321.444 3.645 50 0 DHAARO C[NH2+]CCN[C@H]1c2ccccc2CSc2ccc(Cl)cc21 ZINC000022865505 563353816 /nfs/dbraw/zinc/35/38/16/563353816.db2.gz VRMSCRVJICMNPW-KRWDZBQOSA-N 1 0 318.873 3.844 50 0 DHAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(Cl)nc1 ZINC000010436178 563356754 /nfs/dbraw/zinc/35/67/54/563356754.db2.gz VRHFLZVFWVEKOE-UHFFFAOYSA-N 1 0 320.820 3.821 50 0 DHAARO CCOc1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010434159 563357071 /nfs/dbraw/zinc/35/70/71/563357071.db2.gz PNDHZBFISZBCNE-UHFFFAOYSA-N 1 0 324.424 3.933 50 0 DHAARO COCC[N@H+](Cc1nc(-c2cc(F)cc(F)c2)oc1C)C(C)C ZINC000011703124 563358854 /nfs/dbraw/zinc/35/88/54/563358854.db2.gz ZLAQHWZMULMOFO-UHFFFAOYSA-N 1 0 324.371 3.785 50 0 DHAARO Cn1ccnc1C[N@@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000011819847 563360261 /nfs/dbraw/zinc/36/02/61/563360261.db2.gz VBQWBHDNHUIFGF-OAHLLOKOSA-N 1 0 319.399 3.543 50 0 DHAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012308045 563366402 /nfs/dbraw/zinc/36/64/02/563366402.db2.gz COIROUODGAJQNU-HNNXBMFYSA-N 1 0 314.816 3.830 50 0 DHAARO Cc1c(C)n(CC[NH+](C)C)c2nc(-c3ccccc3)c(C)c(N)c12 ZINC000012407587 563368828 /nfs/dbraw/zinc/36/88/28/563368828.db2.gz JCJAOYXXPSHUFN-UHFFFAOYSA-N 1 0 322.456 3.772 50 0 DHAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000012564155 563370751 /nfs/dbraw/zinc/37/07/51/563370751.db2.gz OUWLRPBCDXCDNQ-IIAWOOMASA-N 1 0 311.853 3.651 50 0 DHAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(C)o3)C2)c1 ZINC000012710038 563373160 /nfs/dbraw/zinc/37/31/60/563373160.db2.gz VSYFKTMCNACXJW-MRXNPFEDSA-N 1 0 313.397 3.692 50 0 DHAARO CCc1ccc([C@H](CNc2cnc3ccccc3n2)[NH+](C)C)cc1 ZINC000012789993 563374110 /nfs/dbraw/zinc/37/41/10/563374110.db2.gz IBSFYKRVRYMIIT-IBGZPJMESA-N 1 0 320.440 3.907 50 0 DHAARO CC[C@@H](CNC(=O)c1cc2ccccc2s1)[NH+]1CCCC1 ZINC000032654048 563375586 /nfs/dbraw/zinc/37/55/86/563375586.db2.gz RINUDAASZOHTDJ-AWEZNQCLSA-N 1 0 302.443 3.506 50 0 DHAARO CSc1ccccc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000013668314 563384705 /nfs/dbraw/zinc/38/47/05/563384705.db2.gz DRHNEZLSSKRTHV-GJZGRUSLSA-N 1 0 320.502 3.506 50 0 DHAARO CCOC(=O)[C@@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013859134 563390785 /nfs/dbraw/zinc/39/07/85/563390785.db2.gz BSGUUYVEWIQBEP-AWEZNQCLSA-N 1 0 307.434 3.550 50 0 DHAARO CC[NH2+][C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000014016148 563394182 /nfs/dbraw/zinc/39/41/82/563394182.db2.gz MRGYQWREQHUAOS-INIZCTEOSA-N 1 0 318.804 3.638 50 0 DHAARO Cn1cc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000014970253 563404815 /nfs/dbraw/zinc/40/48/15/563404815.db2.gz VMOPWNSVMMUJIX-OAHLLOKOSA-N 1 0 319.399 3.543 50 0 DHAARO O[C@H]1/C(=C/c2cccc(OCc3ccccc3)c2)[NH+]2CCC1CC2 ZINC000015017012 563405595 /nfs/dbraw/zinc/40/55/95/563405595.db2.gz TZPWXBIINWJEEC-OKPNHQCWSA-N 1 0 321.420 3.693 50 0 DHAARO Oc1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000023750415 563419695 /nfs/dbraw/zinc/41/96/95/563419695.db2.gz FAZMJQBQBSOFNQ-UHFFFAOYSA-N 1 0 318.420 3.868 50 0 DHAARO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCCC1 ZINC000025418799 563422497 /nfs/dbraw/zinc/42/24/97/563422497.db2.gz IAMYJZLYBHNNIY-INIZCTEOSA-N 1 0 308.425 3.700 50 0 DHAARO CC(C)CC[N@H+](CC(=O)Nc1cccc2ncccc21)C1CC1 ZINC000027110992 563427499 /nfs/dbraw/zinc/42/74/99/563427499.db2.gz NZXLBPHFTTUVGL-UHFFFAOYSA-N 1 0 311.429 3.684 50 0 DHAARO O=C(c1ccco1)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000027995334 563430768 /nfs/dbraw/zinc/43/07/68/563430768.db2.gz KFIVGKPMGUIZEO-MRXNPFEDSA-N 1 0 304.434 3.540 50 0 DHAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)nc2ccccc21 ZINC000002075184 563448225 /nfs/dbraw/zinc/44/82/25/563448225.db2.gz UYSILKUEMQOYJF-CQSZACIVSA-N 1 0 300.450 3.861 50 0 DHAARO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543737 563476273 /nfs/dbraw/zinc/47/62/73/563476273.db2.gz NNEVLKZOSXSNPR-UHFFFAOYSA-N 1 0 316.832 3.671 50 0 DHAARO O=c1[nH]c2cc(F)ccc2cc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000067741483 563489309 /nfs/dbraw/zinc/48/93/09/563489309.db2.gz VVQBQWFPCILXCA-MRXNPFEDSA-N 1 0 312.344 3.597 50 0 DHAARO c1nc2c([nH]1)[C@H](CCc1ccccc1)N(Cc1cccnc1)CC2 ZINC000067713129 563489836 /nfs/dbraw/zinc/48/98/36/563489836.db2.gz IZPSSTBTYCEUOK-IBGZPJMESA-N 1 0 318.424 3.537 50 0 DHAARO COc1ccc(F)cc1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000067804907 563491351 /nfs/dbraw/zinc/49/13/51/563491351.db2.gz ASNAIQXFMXXDGM-CQSZACIVSA-N 1 0 315.388 3.895 50 0 DHAARO CC[C@H](Nc1nc(C)nc2c1CC[NH2+]C2)c1ccc(C)cc1C ZINC000067843195 563492232 /nfs/dbraw/zinc/49/22/32/563492232.db2.gz QHYVOPOURXGAGT-KRWDZBQOSA-N 1 0 310.445 3.611 50 0 DHAARO Cc1nc(CC[NH3+])cc(N(C)[C@H](C)c2cccc3ccccc32)n1 ZINC000067894980 563493261 /nfs/dbraw/zinc/49/32/61/563493261.db2.gz JNXMFEIQUQWCCM-CQSZACIVSA-N 1 0 320.440 3.637 50 0 DHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000067909770 563493267 /nfs/dbraw/zinc/49/32/67/563493267.db2.gz WMRFOHYNXIFXAE-HNNXBMFYSA-N 1 0 312.373 3.612 50 0 DHAARO Cc1cc(C[NH+]2CCCC2)cc(C)c1O[C@@]12CC[N@H+](C1)CCC2 ZINC000067964800 563494327 /nfs/dbraw/zinc/49/43/27/563494327.db2.gz BDRYSFOIPGDRLT-FQEVSTJZSA-N 1 0 314.473 3.516 50 0 DHAARO CCc1cc2c(ncnc2NCC[N@H+](C)C2CCCCC2)s1 ZINC000033078223 563496604 /nfs/dbraw/zinc/49/66/04/563496604.db2.gz CVWMLWJHZHZXRK-UHFFFAOYSA-N 1 0 318.490 3.930 50 0 DHAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1C ZINC000071278953 563498370 /nfs/dbraw/zinc/49/83/70/563498370.db2.gz CSYFTMWGQACJIJ-GOSISDBHSA-N 1 0 316.489 3.678 50 0 DHAARO COc1cccnc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000071661297 563500362 /nfs/dbraw/zinc/50/03/62/563500362.db2.gz AEFXUDKJQPXNPN-INIZCTEOSA-N 1 0 312.413 3.538 50 0 DHAARO Cc1ccc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000033294599 563518397 /nfs/dbraw/zinc/51/83/97/563518397.db2.gz OIVTXSATSCRPAF-YVMONPNESA-N 1 0 306.453 3.826 50 0 DHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000096131999 563533202 /nfs/dbraw/zinc/53/32/02/563533202.db2.gz OWUDTRTUIWEBCW-MRXNPFEDSA-N 1 0 303.450 3.560 50 0 DHAARO COc1ccc(-c2nc3c([nH]2)C[N@@H+](C2CCCCC2)CC3)cc1 ZINC000096130681 563533359 /nfs/dbraw/zinc/53/33/59/563533359.db2.gz JPCKNMVLWSEDAQ-UHFFFAOYSA-N 1 0 311.429 3.776 50 0 DHAARO CCc1oc2c(cc(Cl)cc2NC(=O)N2CC[C@@H]([NH3+])C2)c1C ZINC000097729592 563541626 /nfs/dbraw/zinc/54/16/26/563541626.db2.gz ZEEMSARMBGSVKZ-LLVKDONJSA-N 1 0 321.808 3.522 50 0 DHAARO c1ccc2c(c1)Oc1c(cccc1-c1nc3c([nH]1)C[NH2+]CC3)S2 ZINC000097743041 563541682 /nfs/dbraw/zinc/54/16/82/563541682.db2.gz DISSXWRVBWAUBF-UHFFFAOYSA-N 1 0 321.405 3.979 50 0 DHAARO Cn1nccc1-c1cccc(-c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC000097742581 563541746 /nfs/dbraw/zinc/54/17/46/563541746.db2.gz HZZLGTBEMQCDIV-UHFFFAOYSA-N 1 0 318.424 3.745 50 0 DHAARO CC[C@H](Sc1ccccc1)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000101326745 563556931 /nfs/dbraw/zinc/55/69/31/563556931.db2.gz HOVVTKGSYSJEIG-HWMZRRJGSA-N 1 0 319.470 3.726 50 0 DHAARO Cc1cccc(-c2nc3ccccc3c(NCC[NH+](C)C)n2)c1 ZINC000000144301 563573179 /nfs/dbraw/zinc/57/31/79/563573179.db2.gz KHDBFSWPFGWWCC-UHFFFAOYSA-N 1 0 306.413 3.579 50 0 DHAARO CC(C)Oc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000113401319 563581579 /nfs/dbraw/zinc/58/15/79/563581579.db2.gz HEYBDEXXBFULBE-UHFFFAOYSA-N 1 0 309.413 3.682 50 0 DHAARO CC(C)Oc1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113401348 563581665 /nfs/dbraw/zinc/58/16/65/563581665.db2.gz GPJDDRCNPCTPHR-UHFFFAOYSA-N 1 0 309.413 3.682 50 0 DHAARO C[C@@H]1C[C@@H](Nc2ccccc2OCC(F)(F)F)CC[N@@H+]1C ZINC000127858955 563583524 /nfs/dbraw/zinc/58/35/24/563583524.db2.gz XCCGGIRRAMMMSR-NEPJUHHUSA-N 1 0 302.340 3.522 50 0 DHAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000000299280 563585267 /nfs/dbraw/zinc/58/52/67/563585267.db2.gz XUPYFJVHOULUCN-UHFFFAOYSA-N 1 0 322.452 3.557 50 0 DHAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cnc2ccsc2c1 ZINC000247933233 563598164 /nfs/dbraw/zinc/59/81/64/563598164.db2.gz CFGSVLUNCTZOHA-XOPPTJLZSA-N 1 0 302.443 3.760 50 0 DHAARO C[N@H+](C[C@@H](O)c1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000247961528 563599058 /nfs/dbraw/zinc/59/90/58/563599058.db2.gz FJEXHQGYPHSXAD-ZWKOTPCHSA-N 1 0 301.817 3.993 50 0 DHAARO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000004685531 563637070 /nfs/dbraw/zinc/63/70/70/563637070.db2.gz HLSKPCVYSFFZDO-UHFFFAOYSA-N 1 0 301.430 3.762 50 0 DHAARO CCOC[C@H]1CC[N@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000583651053 563651714 /nfs/dbraw/zinc/65/17/14/563651714.db2.gz GBHBAMCNSQPULA-NSHDSACASA-N 1 0 310.850 3.808 50 0 DHAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2F)cc1OC ZINC000012383605 563652452 /nfs/dbraw/zinc/65/24/52/563652452.db2.gz PRPJCZIPKBGMGL-ZDUSSCGKSA-N 1 0 303.377 3.564 50 0 DHAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000005686210 563652796 /nfs/dbraw/zinc/65/27/96/563652796.db2.gz GOJANQILHWLMMS-YDZRNGNQSA-N 1 0 311.510 3.557 50 0 DHAARO C[N@H+](Cc1csc(-c2ncccn2)n1)C1CCCCCC1 ZINC000051284675 563671543 /nfs/dbraw/zinc/67/15/43/563671543.db2.gz CBPKQCZVERRWRS-UHFFFAOYSA-N 1 0 302.447 3.755 50 0 DHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc(C)nc1 ZINC000047825911 563692366 /nfs/dbraw/zinc/69/23/66/563692366.db2.gz XEPZIUTYVBUEHK-UHFFFAOYSA-N 1 0 324.403 3.621 50 0 DHAARO CC(C)CC[C@@]1(CC[NH+]2CCOCC2)CCO[C@H](C(C)C)C1 ZINC000049762646 563702458 /nfs/dbraw/zinc/70/24/58/563702458.db2.gz WJJUOFFEYGAKBZ-RBUKOAKNSA-N 1 0 311.510 3.966 50 0 DHAARO CSc1cccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000215168412 563703971 /nfs/dbraw/zinc/70/39/71/563703971.db2.gz GKUWGBVGRVGMMB-LJQANCHMSA-N 1 0 312.482 3.897 50 0 DHAARO CCc1cc(CN(C)Cc2cc(C[NH+]3CCCC3)cs2)on1 ZINC000215541408 563706264 /nfs/dbraw/zinc/70/62/64/563706264.db2.gz IBRGBDPTYIXKOT-UHFFFAOYSA-N 1 0 319.474 3.526 50 0 DHAARO COc1ccc2[nH]c(C[N@H+](C)CCC[C@@H]3CCCO3)c(C)c2c1 ZINC000216369617 563709160 /nfs/dbraw/zinc/70/91/60/563709160.db2.gz QKRAEDROJOXPRF-OAHLLOKOSA-N 1 0 316.445 3.876 50 0 DHAARO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccn1 ZINC000008345285 563721797 /nfs/dbraw/zinc/72/17/97/563721797.db2.gz NDIFQBRJGOZPEN-GFCCVEGCSA-N 1 0 318.804 3.747 50 0 DHAARO C[NH+](C)CCn1c2ccccc2n2cc(-c3ccc(F)cc3)nc21 ZINC000008468296 563722393 /nfs/dbraw/zinc/72/23/93/563722393.db2.gz MKZPCFFREGVOHC-UHFFFAOYSA-N 1 0 322.387 3.657 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C2CCCCC2)c2ccc(F)cc12 ZINC000012422000 563774386 /nfs/dbraw/zinc/77/43/86/563774386.db2.gz BQCBTBXBCAOYKN-KRWDZBQOSA-N 1 0 318.436 3.680 50 0 DHAARO C[N@H+](CCC[C@H]1CCCO1)CCC(=O)Nc1ccccc1Cl ZINC000244724105 563778938 /nfs/dbraw/zinc/77/89/38/563778938.db2.gz MNSXWVUMNBSGQR-AWEZNQCLSA-N 1 0 324.852 3.560 50 0 DHAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cc(C2CCCCC2)no1 ZINC000244764026 563779237 /nfs/dbraw/zinc/77/92/37/563779237.db2.gz PAAVOHSKKWCJCN-AWEZNQCLSA-N 1 0 314.433 3.575 50 0 DHAARO Cc1nccn1CCC[N@@H+](C)[C@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244719033 563779283 /nfs/dbraw/zinc/77/92/83/563779283.db2.gz LVQDSNFPWOGMEH-OAHLLOKOSA-N 1 0 323.444 3.665 50 0 DHAARO Cc1ccc(Cn2cc(C[NH2+]CCCCO)c3ccccc32)cc1 ZINC000248101616 563783000 /nfs/dbraw/zinc/78/30/00/563783000.db2.gz OCKMLKMSORWWEQ-UHFFFAOYSA-N 1 0 322.452 3.860 50 0 DHAARO CC(C)n1cc(C[NH2+]CCOc2ccccn2)c2ccccc21 ZINC000248027178 563783044 /nfs/dbraw/zinc/78/30/44/563783044.db2.gz WJWSATLDUARWHB-UHFFFAOYSA-N 1 0 309.413 3.786 50 0 DHAARO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC000052212599 563785963 /nfs/dbraw/zinc/78/59/63/563785963.db2.gz NVTGRPWDXDGODU-IBGZPJMESA-N 1 0 308.425 3.795 50 0 DHAARO c1ccc2c(c1)-c1ccccc1C2[NH2+]CCCOC1CCOCC1 ZINC000183905302 563795863 /nfs/dbraw/zinc/79/58/63/563795863.db2.gz FGOOCJKFWGGJTF-UHFFFAOYSA-N 1 0 323.436 3.932 50 0 DHAARO Cc1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1C ZINC000012525404 563797619 /nfs/dbraw/zinc/79/76/19/563797619.db2.gz ASGYYOAKSIGYQE-MRXNPFEDSA-N 1 0 319.408 3.980 50 0 DHAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000012530335 563798279 /nfs/dbraw/zinc/79/82/79/563798279.db2.gz PXQKFNGMODRZDE-AWEZNQCLSA-N 1 0 307.397 3.936 50 0 DHAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000012553175 563800869 /nfs/dbraw/zinc/80/08/69/563800869.db2.gz VMZOXZLEGDCPIP-ZBEGNZNMSA-N 1 0 316.351 3.569 50 0 DHAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000012553167 563800974 /nfs/dbraw/zinc/80/09/74/563800974.db2.gz VMZOXZLEGDCPIP-BDJLRTHQSA-N 1 0 316.351 3.569 50 0 DHAARO c1cc(-c2noc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)n2)cs1 ZINC000012739581 563818884 /nfs/dbraw/zinc/81/88/84/563818884.db2.gz LUWLQDIYACZGME-TZMCWYRMSA-N 1 0 303.431 3.953 50 0 DHAARO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000084148699 563824286 /nfs/dbraw/zinc/82/42/86/563824286.db2.gz QYBFIDPEFVGDFE-OXQOHEQNSA-N 1 0 321.424 3.565 50 0 DHAARO Cc1ccsc1CNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000084257570 563825386 /nfs/dbraw/zinc/82/53/86/563825386.db2.gz VUKPBQRGYSHVQS-UHFFFAOYSA-N 1 0 316.470 3.625 50 0 DHAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000084714644 563829940 /nfs/dbraw/zinc/82/99/40/563829940.db2.gz QJGMSJQMTNSQOO-SIFCLUCFSA-N 1 0 310.441 3.747 50 0 DHAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000084714630 563829974 /nfs/dbraw/zinc/82/99/74/563829974.db2.gz XDUMUDSOHQQVSQ-IGCXYCKISA-N 1 0 320.864 3.638 50 0 DHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1ccccc1F ZINC000084736176 563830497 /nfs/dbraw/zinc/83/04/97/563830497.db2.gz DKCVQELSOUAMGS-PMUMKWKESA-N 1 0 318.436 3.513 50 0 DHAARO CC[NH+](CC)CCOC(=O)Nc1c(Cl)cccc1Cl ZINC000001590765 563846651 /nfs/dbraw/zinc/84/66/51/563846651.db2.gz FIMYZQJHMZSAJX-UHFFFAOYSA-N 1 0 305.205 3.884 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)NCc1cccs1 ZINC000012900261 563853057 /nfs/dbraw/zinc/85/30/57/563853057.db2.gz BGRGOKOVTSEWIK-NWDGAFQWSA-N 1 0 322.861 3.757 50 0 DHAARO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1)c1cccs1 ZINC000012902191 563853446 /nfs/dbraw/zinc/85/34/46/563853446.db2.gz QTXCCJLRZSRDRE-KBPBESRZSA-N 1 0 302.443 3.618 50 0 DHAARO CC(C)(C)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(F)cc1 ZINC000053644041 563864886 /nfs/dbraw/zinc/86/48/86/563864886.db2.gz YXEYOGUMGJSKQX-QGZVFWFLSA-N 1 0 314.404 3.802 50 0 DHAARO CCCC[NH+](CCCC)CCn1c(=N)onc1-c1ccccc1 ZINC000102197601 563866603 /nfs/dbraw/zinc/86/66/03/563866603.db2.gz MKCRZTPVCCWJOJ-UHFFFAOYSA-N 1 0 316.449 3.525 50 0 DHAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc2cccnc21 ZINC000242302387 563881050 /nfs/dbraw/zinc/88/10/50/563881050.db2.gz YSEDTRIIHSNJFJ-NXHRZFHOSA-N 1 0 324.424 3.541 50 0 DHAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1cncc(F)c1 ZINC000245727232 563881928 /nfs/dbraw/zinc/88/19/28/563881928.db2.gz XQELPOJZVOKLSL-PSTGCABASA-N 1 0 306.356 3.523 50 0 DHAARO c1n[nH]cc1[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000092809863 563883017 /nfs/dbraw/zinc/88/30/17/563883017.db2.gz SNBUGIVIYIUGLU-LJQANCHMSA-N 1 0 318.424 3.851 50 0 DHAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000036096736 563893128 /nfs/dbraw/zinc/89/31/28/563893128.db2.gz WUOFUIZVVYUARX-LJQANCHMSA-N 1 0 313.441 3.585 50 0 DHAARO Cc1ccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C(C)C)s1 ZINC000036101207 563893439 /nfs/dbraw/zinc/89/34/39/563893439.db2.gz GVZVICOOYLATQO-KRWDZBQOSA-N 1 0 303.471 3.871 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1 ZINC000169679201 563895069 /nfs/dbraw/zinc/89/50/69/563895069.db2.gz MAPZNZMWFKTVOB-NVXWUHKLSA-N 1 0 319.470 3.789 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000169678024 563895237 /nfs/dbraw/zinc/89/52/37/563895237.db2.gz KVQZSNKFMCHHNE-IEBWSBKVSA-N 1 0 307.478 3.629 50 0 DHAARO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000007377708 563905424 /nfs/dbraw/zinc/90/54/24/563905424.db2.gz GEIPXENWOGLMGB-NSHDSACASA-N 1 0 300.324 3.518 50 0 DHAARO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000170591425 563906633 /nfs/dbraw/zinc/90/66/33/563906633.db2.gz QXRXJSRWRGQYQC-RBZFPXEDSA-N 1 0 307.484 3.549 50 0 DHAARO Cc1cc(NC(=O)C2(C[NH+](C)C)CCCCC2)ccc1N(C)C ZINC000170595766 563907093 /nfs/dbraw/zinc/90/70/93/563907093.db2.gz AMXZKJRMDMBLJV-UHFFFAOYSA-N 1 0 317.477 3.512 50 0 DHAARO CC(=O)Nc1ccc(-c2nc([C@H]3CCC[NH2+]3)sc2C)cc1 ZINC000170614800 563908288 /nfs/dbraw/zinc/90/82/88/563908288.db2.gz VVDBSNGDOXFJNZ-CQSZACIVSA-N 1 0 301.415 3.501 50 0 DHAARO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000170616059 563908321 /nfs/dbraw/zinc/90/83/21/563908321.db2.gz QBNWOOBCEQVTKT-IEBWSBKVSA-N 1 0 319.493 3.740 50 0 DHAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089857754 563911598 /nfs/dbraw/zinc/91/15/98/563911598.db2.gz OTWPDRCIRATEGQ-JZXOWHBKSA-N 1 0 312.457 3.649 50 0 DHAARO c1c[nH]c([C@H]2CCC[N@H+]2Cc2cnc(-c3ccccn3)s2)c1 ZINC000089884667 563911931 /nfs/dbraw/zinc/91/19/31/563911931.db2.gz ZQHCVWPYLKEHAN-MRXNPFEDSA-N 1 0 310.426 3.870 50 0 DHAARO C[C@H](Cc1ccsc1)[N@H+](C)Cc1nnc(-c2cccs2)o1 ZINC000089904290 563912080 /nfs/dbraw/zinc/91/20/80/563912080.db2.gz ZUPYFITZSMJOKL-LLVKDONJSA-N 1 0 319.455 3.923 50 0 DHAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000076057839 563912206 /nfs/dbraw/zinc/91/22/06/563912206.db2.gz BOUPWRCEYDKMBK-QRWLVFNGSA-N 1 0 322.452 3.576 50 0 DHAARO C[NH+](C)CCCCOc1ccc(Br)cc1Cl ZINC000002824116 563913068 /nfs/dbraw/zinc/91/30/68/563913068.db2.gz SFDHNSVBQLVVGV-UHFFFAOYSA-N 1 0 306.631 3.823 50 0 DHAARO C[C@@H]1CCC[N@H+](CCCOc2cccc(Br)c2)C1 ZINC000002823717 563913135 /nfs/dbraw/zinc/91/31/35/563913135.db2.gz WRLSMDUFLFOSHF-CYBMUJFWSA-N 1 0 312.251 3.950 50 0 DHAARO Cc1ccc(C)c(NC(=S)NCC2([NH+](C)C)CCCCC2)c1 ZINC000007583677 563914000 /nfs/dbraw/zinc/91/40/00/563914000.db2.gz RWQSJWJZVQYLGL-UHFFFAOYSA-N 1 0 319.518 3.854 50 0 DHAARO C[C@H](CO)[N@@H+](Cc1ccc(F)cc1C(F)(F)F)CC1CCC1 ZINC000252491780 563916184 /nfs/dbraw/zinc/91/61/84/563916184.db2.gz LSZHZWFFOYNHHW-LLVKDONJSA-N 1 0 319.342 3.827 50 0 DHAARO CCC1CCC(N(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC000170677441 563917602 /nfs/dbraw/zinc/91/76/02/563917602.db2.gz FTYUZMKFDZXRPN-RZZCCWGQSA-N 1 0 320.521 3.972 50 0 DHAARO CCC1CCC(N(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC000170677447 563917607 /nfs/dbraw/zinc/91/76/07/563917607.db2.gz FTYUZMKFDZXRPN-ZLZJIPBDSA-N 1 0 320.521 3.972 50 0 DHAARO C[NH2+][C@H](C)C1=C(P(c2ccccc2)c2ccccc2)CC=C1 ZINC000100031916 563924229 /nfs/dbraw/zinc/92/42/29/563924229.db2.gz QFWQHJCDPDYYJS-MRXNPFEDSA-N 1 0 307.377 3.941 50 0 DHAARO CC[NH+](CC)CCn1c2ccc(OC)cc2c2nc(C)sc21 ZINC000002337833 563926195 /nfs/dbraw/zinc/92/61/95/563926195.db2.gz AKTCIIVUKJKEFJ-UHFFFAOYSA-N 1 0 317.458 3.910 50 0 DHAARO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000225466219 563928322 /nfs/dbraw/zinc/92/83/22/563928322.db2.gz OAORRPKQJJAVOK-QGZVFWFLSA-N 1 0 318.392 3.530 50 0 DHAARO COC(=O)C(C)(C)C(C)(C)[NH2+]Cc1ccccc1OC(C)C ZINC000079109520 563930306 /nfs/dbraw/zinc/93/03/06/563930306.db2.gz FPBICRGBYQDYKF-UHFFFAOYSA-N 1 0 307.434 3.541 50 0 DHAARO C[C@@H]([NH2+]Cc1ccccc1OCCO)c1cc2ccccc2o1 ZINC000095423123 563931604 /nfs/dbraw/zinc/93/16/04/563931604.db2.gz MGRRBOOXDIUZEJ-CQSZACIVSA-N 1 0 311.381 3.655 50 0 DHAARO CSC[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000095960793 563932507 /nfs/dbraw/zinc/93/25/07/563932507.db2.gz IUXIYJSVSAAZRJ-LLVKDONJSA-N 1 0 318.255 3.773 50 0 DHAARO Cc1nc2c(s1)[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCC2 ZINC000095967161 563932834 /nfs/dbraw/zinc/93/28/34/563932834.db2.gz UAZBAKHXBSZLSP-CQSZACIVSA-N 1 0 307.507 3.728 50 0 DHAARO Cc1cc(-c2nnc(CN(C)Cc3sccc3C)o2)c(C)o1 ZINC000095966246 563932906 /nfs/dbraw/zinc/93/29/06/563932906.db2.gz KQEJUFGTVPIESZ-UHFFFAOYSA-N 1 0 317.414 3.948 50 0 DHAARO Cc1cccc(CC[C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000095967333 563932923 /nfs/dbraw/zinc/93/29/23/563932923.db2.gz WYLHNZZWYGQJIS-MRXNPFEDSA-N 1 0 303.446 3.591 50 0 DHAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(CO)c2)c1 ZINC000095988794 563934145 /nfs/dbraw/zinc/93/41/45/563934145.db2.gz ITIVZQKDAXNEIL-KBPBESRZSA-N 1 0 312.413 3.549 50 0 DHAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(CO)c2)c1 ZINC000095988795 563934160 /nfs/dbraw/zinc/93/41/60/563934160.db2.gz ITIVZQKDAXNEIL-KGLIPLIRSA-N 1 0 312.413 3.549 50 0 DHAARO Cc1cc([C@@H]([NH2+]Cc2ccnc(N(C)C)n2)C(C)C)c(C)s1 ZINC000095988221 563934271 /nfs/dbraw/zinc/93/42/71/563934271.db2.gz BMGHJVPUEPIYSU-INIZCTEOSA-N 1 0 318.490 3.708 50 0 DHAARO CC[C@]1(O)c2ccccc2[C@@H](c2ccccc2)[C@@]1(C)C[NH+](C)C ZINC000096027196 563935077 /nfs/dbraw/zinc/93/50/77/563935077.db2.gz HLOMJYSWLVTBHK-NJYVYQBISA-N 1 0 309.453 3.998 50 0 DHAARO COC(=O)c1cccc([C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000096027752 563935145 /nfs/dbraw/zinc/93/51/45/563935145.db2.gz OORWVBYZVRWGNG-HXUWFJFHSA-N 1 0 309.409 3.637 50 0 DHAARO CC1CC[NH+](CCCNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000002932963 563941068 /nfs/dbraw/zinc/94/10/68/563941068.db2.gz AJCJJROUAJUCIS-UHFFFAOYSA-N 1 0 316.474 3.826 50 0 DHAARO c1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000057605260 563942131 /nfs/dbraw/zinc/94/21/31/563942131.db2.gz NQWYEYFGOSSLKQ-UHFFFAOYSA-N 1 0 303.409 3.557 50 0 DHAARO CC1=C(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]cn3)C2)C(C)(C)CCC1 ZINC000670440561 563943920 /nfs/dbraw/zinc/94/39/20/563943920.db2.gz UIUFPOLXGNKJIA-HNNXBMFYSA-N 1 0 315.461 3.888 50 0 DHAARO CC/C=C(/C[NH+]1CCC(OCCOC)CC1)c1ccccc1 ZINC000670450462 563944368 /nfs/dbraw/zinc/94/43/68/563944368.db2.gz HYFNXGRDHBDPBU-WSVATBPTSA-N 1 0 303.446 3.607 50 0 DHAARO Cc1cccc(N2CCC([NH+]3CCC(c4cc[nH]n4)CC3)CC2)c1 ZINC000670459568 563945298 /nfs/dbraw/zinc/94/52/98/563945298.db2.gz QIGLTKMQATWGGH-UHFFFAOYSA-N 1 0 324.472 3.567 50 0 DHAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)cc1F ZINC000229556617 563945472 /nfs/dbraw/zinc/94/54/72/563945472.db2.gz JBTLARYYYPTLPW-UYHISHBKSA-N 1 0 322.399 3.501 50 0 DHAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000008267753 563947408 /nfs/dbraw/zinc/94/74/08/563947408.db2.gz FYFVMLPYTYOCIF-ZIAGYGMSSA-N 1 0 306.837 3.791 50 0 DHAARO O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000067813687 563950214 /nfs/dbraw/zinc/95/02/14/563950214.db2.gz OZBILATVXWOPSI-WOJBJXKFSA-N 1 0 320.436 3.568 50 0 DHAARO C[C@H](c1cccc(F)c1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000069324589 563952307 /nfs/dbraw/zinc/95/23/07/563952307.db2.gz KYIQRMMOZPZMET-CQSZACIVSA-N 1 0 324.403 3.809 50 0 DHAARO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000245339139 563952640 /nfs/dbraw/zinc/95/26/40/563952640.db2.gz QTXNORNKKJSXIR-GDAAHCPNSA-N 1 0 318.505 3.536 50 0 DHAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000069459487 563953056 /nfs/dbraw/zinc/95/30/56/563953056.db2.gz WUYFCPIQVQWDED-GFCCVEGCSA-N 1 0 318.471 3.555 50 0 DHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccs2)CC1 ZINC000069570184 563953636 /nfs/dbraw/zinc/95/36/36/563953636.db2.gz YSFULVZMNHTJLF-UHFFFAOYSA-N 1 0 315.442 3.507 50 0 DHAARO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069699220 563954112 /nfs/dbraw/zinc/95/41/12/563954112.db2.gz WLMRZHOTYMHCHD-WMZOPIPTSA-N 1 0 308.425 3.527 50 0 DHAARO CC(C)[C@H](C)CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000069808793 563954801 /nfs/dbraw/zinc/95/48/01/563954801.db2.gz JQTCZLQXTHIPNN-OAHLLOKOSA-N 1 0 317.477 3.813 50 0 DHAARO O[C@H](C[N@H+](Cc1ccco1)C1CCCC1)c1ccc(F)cc1 ZINC000071811000 563958729 /nfs/dbraw/zinc/95/87/29/563958729.db2.gz FOPPUUIYQVRUFM-GOSISDBHSA-N 1 0 303.377 3.897 50 0 DHAARO O=C(Nc1cccc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071808118 563958766 /nfs/dbraw/zinc/95/87/66/563958766.db2.gz ZWMSZTUXGFVZQN-QGZVFWFLSA-N 1 0 323.440 3.932 50 0 DHAARO CNc1nc(C)c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)s1 ZINC000426719786 563959837 /nfs/dbraw/zinc/95/98/37/563959837.db2.gz CPOCUVHDHDZTDM-ZDUSSCGKSA-N 1 0 301.459 4.317 50 0 DHAARO Cc1ccc(/C=C/C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000013629299 568412525 /nfs/dbraw/zinc/41/25/25/568412525.db2.gz OCGDZMUHYNKOHL-DOJUMQAQSA-N 1 0 324.424 3.555 50 0 DHAARO Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000097095248 568413600 /nfs/dbraw/zinc/41/36/00/568413600.db2.gz UABMCAFNKFCCLR-UKRRQHHQSA-N 1 0 321.852 3.596 50 0 DHAARO CC(=O)O[C@]1([C@@H](C)C[NH+](C)C)CCCC[C@H]1c1ccccc1 ZINC000212517893 568415878 /nfs/dbraw/zinc/41/58/78/568415878.db2.gz TVQPXLMQOZWEBA-SNRMKQJTSA-N 1 0 303.446 3.844 50 0 DHAARO C[N@@H+]1CCCc2c(c3ccccc3n2CCc2ccncc2)C1 ZINC000075567393 568418699 /nfs/dbraw/zinc/41/86/99/568418699.db2.gz CQODKHRGTITLSV-UHFFFAOYSA-N 1 0 305.425 3.657 50 0 DHAARO c1ccc(C(CC[NH2+][C@@H]2CN3CCC2CC3)c2ccccc2)cc1 ZINC000022027711 1013610492 /nfs/dbraw/zinc/61/04/92/1013610492.db2.gz SEUGZNBDXCNTCQ-JOCHJYFZSA-N 1 0 320.480 3.892 50 0 DHAARO Cn1cncc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)CCO1 ZINC000340378359 1013881443 /nfs/dbraw/zinc/88/14/43/1013881443.db2.gz SAIRNAOXYVMUPF-RYQLBKOJSA-N 1 0 317.477 3.733 50 0 DHAARO Cc1[nH]c2ccccc2c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022454572 1014848302 /nfs/dbraw/zinc/84/83/02/1014848302.db2.gz UWPSWBRFPQBVOR-UHFFFAOYSA-N 1 0 319.452 3.794 50 0 DHAARO Cc1c[nH]c(C[NH2+]CC[C@H](c2ccco2)c2ccc(F)cc2)n1 ZINC000952971274 1032675838 /nfs/dbraw/zinc/67/58/38/1032675838.db2.gz JIQGCCSJTHEBIF-INIZCTEOSA-N 1 0 313.376 3.762 50 0 DHAARO C[N@H+](Cc1cnn2cccnc12)C[C@@]1(c2ccccc2)CC1(C)C ZINC000952984448 1032682586 /nfs/dbraw/zinc/68/25/86/1032682586.db2.gz LBTZLKLPPXORAN-HXUWFJFHSA-N 1 0 320.440 3.529 50 0 DHAARO Cc1ccc(OC[C@@H]2CCC[N@H+](CC3CCOCC3)C2)cc1 ZINC000063834289 1019419069 /nfs/dbraw/zinc/41/90/69/1019419069.db2.gz AZSMSLINVZCKRH-GOSISDBHSA-N 1 0 303.446 3.512 50 0 DHAARO c1cncc(-c2ncc3c(n2)CCC[C@@H]3[NH2+]CC2CCCC2)c1 ZINC000012053596 1019789811 /nfs/dbraw/zinc/78/98/11/1019789811.db2.gz MALAWBBRCHOPOX-KRWDZBQOSA-N 1 0 308.429 3.696 50 0 DHAARO C[C@H](CC(F)(F)F)[NH2+]CCCc1nc2cc(F)ccc2[nH]1 ZINC000820978079 1020223113 /nfs/dbraw/zinc/22/31/13/1020223113.db2.gz AQWSIHCTUGVMGW-SECBINFHSA-N 1 0 303.303 3.565 50 0 DHAARO CC(C)CCN1CC[C@H]([N@H+](C)[C@H](C)c2nccs2)CCC1=O ZINC000821114402 1020230720 /nfs/dbraw/zinc/23/07/20/1020230720.db2.gz VVIJWQPZMLTWAV-HUUCEWRRSA-N 1 0 323.506 3.563 50 0 DHAARO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000821236165 1020240239 /nfs/dbraw/zinc/24/02/39/1020240239.db2.gz RFDBGIKGUAFBGS-KSZLIROESA-N 1 0 314.473 3.650 50 0 DHAARO COc1ccc([C@@H](C)C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528740751 1020345815 /nfs/dbraw/zinc/34/58/15/1020345815.db2.gz IIFKMLGXZYUIGP-AWEZNQCLSA-N 1 0 323.440 3.524 50 0 DHAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@H]3c3cccnc3)s2)n[nH]1 ZINC000829070327 1020842652 /nfs/dbraw/zinc/84/26/52/1020842652.db2.gz RXFHYRSYUUMAGB-INIZCTEOSA-N 1 0 310.426 3.870 50 0 DHAARO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1cccc(Cl)c1Cl ZINC000163594550 1021196512 /nfs/dbraw/zinc/19/65/12/1021196512.db2.gz KRUKXSXMAOSDSC-PRHODGIISA-N 1 0 303.233 3.544 50 0 DHAARO Fc1ccccc1N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000003683521 1021243162 /nfs/dbraw/zinc/24/31/62/1021243162.db2.gz IWIQBZBCHIRSFF-UHFFFAOYSA-N 1 0 314.448 3.772 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)C2CCCCC2)CC1 ZINC000581808886 1021849497 /nfs/dbraw/zinc/84/94/97/1021849497.db2.gz WTIWFQIBFRRANP-UHFFFAOYSA-N 1 0 315.461 3.813 50 0 DHAARO Cc1cnc([C@@H]2CCCO2)n1CC1CC[NH+](C2CCCC2)CC1 ZINC000257193734 1022264837 /nfs/dbraw/zinc/26/48/37/1022264837.db2.gz ZKFNAPCETOMUFK-SFHVURJKSA-N 1 0 317.477 3.698 50 0 DHAARO Cc1nc(CCC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)no1 ZINC000675019688 1022750500 /nfs/dbraw/zinc/75/05/00/1022750500.db2.gz PLTSZGMUALPUDQ-UHFFFAOYSA-N 1 0 321.371 3.501 50 0 DHAARO COC(=O)c1oc(CN2CCC[C@H]2c2ccsc2)cc1C ZINC000046089418 1023663619 /nfs/dbraw/zinc/66/36/19/1023663619.db2.gz DATIQHJEEMJPII-AWEZNQCLSA-N 1 0 305.399 3.773 50 0 DHAARO C[N@H+](CCCn1cccn1)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000215922119 1024527341 /nfs/dbraw/zinc/52/73/41/1024527341.db2.gz JPVOANWUGQUGAN-INIZCTEOSA-N 1 0 319.474 3.708 50 0 DHAARO C[C@@H](c1ccon1)N(C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000215849017 1025187845 /nfs/dbraw/zinc/18/78/45/1025187845.db2.gz RCZJWDHGAZQACK-ZDUSSCGKSA-N 1 0 305.447 3.525 50 0 DHAARO C[C@H]1OP2(C[NH+]3CCCCCC3)(O[C@H](C)[C@H](C)O2)O[C@H]1C ZINC000005528444 1025245692 /nfs/dbraw/zinc/24/56/92/1025245692.db2.gz TXBMKILWBITVSU-NMWPEEMBSA-N 1 0 319.382 3.681 50 0 DHAARO C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000262632045 1025520780 /nfs/dbraw/zinc/52/07/80/1025520780.db2.gz XCXBACQGNHRYGS-AGIUHOORSA-N 1 0 306.837 3.519 50 0 DHAARO OCC[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)c1ccccc1 ZINC000863983406 1028154962 /nfs/dbraw/zinc/15/49/62/1028154962.db2.gz GYXDNUIXIDWRSI-ZVDOUQERSA-N 1 0 324.468 3.549 50 0 DHAARO COC[C@@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)C1CC1 ZINC000130674750 1028411278 /nfs/dbraw/zinc/41/12/78/1028411278.db2.gz AOXDUUTZNYEOBY-QGZVFWFLSA-N 1 0 316.376 3.528 50 0 DHAARO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(C(N)=O)cc2)o1 ZINC000076120596 1028557280 /nfs/dbraw/zinc/55/72/80/1028557280.db2.gz WJDJWQUPNWNYDY-GUYCJALGSA-N 1 0 312.413 3.660 50 0 DHAARO C[C@H]([NH2+]C[C@@H]1CCSC1)c1nc2ccccc2n1C(F)F ZINC000585079623 1029620989 /nfs/dbraw/zinc/62/09/89/1029620989.db2.gz NNBAZWWVTZYVBS-QWRGUYRKSA-N 1 0 311.401 3.835 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)[C@H](C)OCc1ccccc1 ZINC000585093641 1029738328 /nfs/dbraw/zinc/73/83/28/1029738328.db2.gz UIDSVGUKZLKINS-SAKMYQHLSA-N 1 0 303.446 3.527 50 0 DHAARO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1-n1cccn1 ZINC000151808543 1036639267 /nfs/dbraw/zinc/63/92/67/1036639267.db2.gz ASWXTKYMBDTQOB-CQSZACIVSA-N 1 0 317.396 3.599 50 0 DHAARO O=C(NCC[C@H]1CCC[NH2+]C1)c1sc2ccccc2c1Cl ZINC000152632016 1037471907 /nfs/dbraw/zinc/47/19/07/1037471907.db2.gz ORDLIXAKSQEMFD-LLVKDONJSA-N 1 0 322.861 3.674 50 0 DHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000254519837 1037553763 /nfs/dbraw/zinc/55/37/63/1037553763.db2.gz KHGINXKUQOGREB-PMBGHPPTSA-N 1 0 314.473 3.573 50 0 DHAARO Cc1cc(Cl)ccc1NC(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000095508054 185375989 /nfs/dbraw/zinc/37/59/89/185375989.db2.gz OUKALXGYNWVDSM-GOEBONIOSA-N 1 0 323.868 3.698 50 0 DHAARO Cc1ncsc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079044964 185148712 /nfs/dbraw/zinc/14/87/12/185148712.db2.gz RLDBTHYNMMIFNI-RHSMWYFYSA-N 1 0 315.486 3.594 50 0 DHAARO C[NH+](C)[C@H]1CCCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000082157356 185173997 /nfs/dbraw/zinc/17/39/97/185173997.db2.gz WORAYUHRZCHWMJ-INIZCTEOSA-N 1 0 315.486 3.726 50 0 DHAARO CSCc1ccc(N2CCC([C@H](C)[NH+]3CCCC3)CC2)nc1 ZINC000082098901 192355788 /nfs/dbraw/zinc/35/57/88/192355788.db2.gz PDUIGAOSZSKMSF-HNNXBMFYSA-N 1 0 319.518 3.645 50 0 DHAARO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000090542635 185302208 /nfs/dbraw/zinc/30/22/08/185302208.db2.gz RIOQBTIZPOKOCI-RLFYNMQTSA-N 1 0 321.486 3.709 50 0 DHAARO Cc1ccc(C[NH2+]Cc2ccsc2)c(O[C@H]2CCOC2)c1 ZINC000095412300 185357849 /nfs/dbraw/zinc/35/78/49/185357849.db2.gz YBUFOFFUMRREDS-INIZCTEOSA-N 1 0 303.427 3.514 50 0 DHAARO C[C@H]([NH2+]CCc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000095419225 185359825 /nfs/dbraw/zinc/35/98/25/185359825.db2.gz OHRUTGSIIFNKHU-AWEZNQCLSA-N 1 0 308.425 3.810 50 0 DHAARO COc1ccc([C@H](C)[C@H](C)[NH2+]CCc2csc(C)n2)cc1 ZINC000095419966 185360206 /nfs/dbraw/zinc/36/02/06/185360206.db2.gz IDQRGRWYHBZGDT-OLZOCXBDSA-N 1 0 304.459 3.784 50 0 DHAARO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 ZINC000095419734 185360239 /nfs/dbraw/zinc/36/02/39/185360239.db2.gz NJFKIUJRPMXIFZ-GWCFXTLKSA-N 1 0 313.369 3.979 50 0 DHAARO c1cn(-c2ccc(C[NH2+][C@H](CC3CC3)c3ccccc3)cn2)cn1 ZINC000095409540 185357064 /nfs/dbraw/zinc/35/70/64/185357064.db2.gz ILCOXBSXFGXWOV-LJQANCHMSA-N 1 0 318.424 3.898 50 0 DHAARO CCC[C@@H]1CN(C(=O)c2ccc(CC(C)C)cc2)C[C@H]1[NH+](C)C ZINC000082147758 192362635 /nfs/dbraw/zinc/36/26/35/192362635.db2.gz YTFDVLZCWUGXRN-RTBURBONSA-N 1 0 316.489 3.687 50 0 DHAARO OCc1cccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000095421975 185360899 /nfs/dbraw/zinc/36/08/99/185360899.db2.gz NUAKBEGJOSRDTR-GOSISDBHSA-N 1 0 309.409 3.715 50 0 DHAARO CC(C)c1ccc(/C=C/CC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000095450367 185368715 /nfs/dbraw/zinc/36/87/15/185368715.db2.gz BSSZSEVSHWQANN-JFDDCEBESA-N 1 0 314.473 3.812 50 0 DHAARO C[C@@H](CCc1ccccc1)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000095450142 185368813 /nfs/dbraw/zinc/36/88/13/185368813.db2.gz KJZIMJMJBNSVKW-SFHVURJKSA-N 1 0 323.484 3.909 50 0 DHAARO COCCC[N@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000095454772 185369852 /nfs/dbraw/zinc/36/98/52/185369852.db2.gz YOUFRDQSGGHIAE-UHFFFAOYSA-N 1 0 324.877 3.949 50 0 DHAARO Cc1cc([C@H](C)[NH2+]CC(=O)NCC2CCCCC2)c(C)s1 ZINC000095462576 185371157 /nfs/dbraw/zinc/37/11/57/185371157.db2.gz VOBYNFDRATZYDZ-ZDUSSCGKSA-N 1 0 308.491 3.712 50 0 DHAARO Cc1ncccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000097032589 185399453 /nfs/dbraw/zinc/39/94/53/185399453.db2.gz FFQPJZBUPVSNPV-MRXNPFEDSA-N 1 0 306.413 3.646 50 0 DHAARO Cc1nc(C2CC[NH+](Cc3cc4ccccc4o3)CC2)cc(=O)[nH]1 ZINC000072140033 191047486 /nfs/dbraw/zinc/04/74/86/191047486.db2.gz QUCSDMAESYRDPU-UHFFFAOYSA-N 1 0 323.396 3.616 50 0 DHAARO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCc3ccccn3)nc2c1 ZINC000072121879 191040096 /nfs/dbraw/zinc/04/00/96/191040096.db2.gz UOBYNUKHJMZAIW-SFHVURJKSA-N 1 0 306.413 3.646 50 0 DHAARO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2C[C@H]3O)s1 ZINC000072125424 191042079 /nfs/dbraw/zinc/04/20/79/191042079.db2.gz ZAOKGFGFDSCJEB-GOSISDBHSA-N 1 0 313.466 3.507 50 0 DHAARO CCc1ncc(C[NH+]2CCC(CCc3ccccc3)CC2)cn1 ZINC000072129771 191044614 /nfs/dbraw/zinc/04/46/14/191044614.db2.gz JOCYXHSUAHYBNL-UHFFFAOYSA-N 1 0 309.457 3.884 50 0 DHAARO c1ccc([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)OCCO3)nc1 ZINC000072133860 191046095 /nfs/dbraw/zinc/04/60/95/191046095.db2.gz IUUYFEQOCHRDMG-QGZVFWFLSA-N 1 0 310.397 3.580 50 0 DHAARO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc2[nH]ccc2c1 ZINC000072134621 191046951 /nfs/dbraw/zinc/04/69/51/191046951.db2.gz HAYGXXIKPLGIHH-UHFFFAOYSA-N 1 0 316.408 3.986 50 0 DHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000072140714 191049444 /nfs/dbraw/zinc/04/94/44/191049444.db2.gz SACDFETZWXHAGR-CYBMUJFWSA-N 1 0 309.841 3.584 50 0 DHAARO Cc1nnc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)s1 ZINC000072152752 191057457 /nfs/dbraw/zinc/05/74/57/191057457.db2.gz CYEOTCANPYUPGK-OAHLLOKOSA-N 1 0 317.458 3.539 50 0 DHAARO Cc1cccc(C)c1-c1cc(NCC[NH+](C)C)nc2[nH]ccc21 ZINC000072161745 191062147 /nfs/dbraw/zinc/06/21/47/191062147.db2.gz CMKVHZYONXDEEC-UHFFFAOYSA-N 1 0 308.429 3.820 50 0 DHAARO Cc1nc(C[N@@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)co1 ZINC000072162026 191062178 /nfs/dbraw/zinc/06/21/78/191062178.db2.gz DICNUVXHLJEBNY-AWEZNQCLSA-N 1 0 310.401 3.547 50 0 DHAARO Cn1ccc2c1nccc2-c1ccc(C[NH+]2CCCCC2)cn1 ZINC000072164026 191064271 /nfs/dbraw/zinc/06/42/71/191064271.db2.gz ZPUCWKIAJAYKQQ-UHFFFAOYSA-N 1 0 306.413 3.621 50 0 DHAARO Oc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cscn2)c1 ZINC000072164811 191065290 /nfs/dbraw/zinc/06/52/90/191065290.db2.gz RQTOQDHIMOAJMY-MRXNPFEDSA-N 1 0 302.443 3.836 50 0 DHAARO CC(=O)c1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C ZINC000072165357 191065754 /nfs/dbraw/zinc/06/57/54/191065754.db2.gz NLMLTVICXYPYBE-QFBILLFUSA-N 1 0 301.430 3.841 50 0 DHAARO COc1cc(C(C)=O)ccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072409471 191154480 /nfs/dbraw/zinc/15/44/80/191154480.db2.gz NAGNOALXTIVSJN-DLBZAZTESA-N 1 0 317.429 3.541 50 0 DHAARO Cc1c(C[NH+]2CCC(Sc3ccccc3C)CC2)cnn1C ZINC000072418780 191156525 /nfs/dbraw/zinc/15/65/25/191156525.db2.gz CSYATBDFYYONKX-UHFFFAOYSA-N 1 0 315.486 3.794 50 0 DHAARO Cc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)nn1 ZINC000072422211 191158595 /nfs/dbraw/zinc/15/85/95/191158595.db2.gz ZAVABWAERLXVJB-MRXNPFEDSA-N 1 0 316.836 3.515 50 0 DHAARO Cc1cncc(-n2ccnc2-c2ccc([C@H](C)[NH+](C)C)cc2)c1 ZINC000072427118 191161079 /nfs/dbraw/zinc/16/10/79/191161079.db2.gz ALRNXVJNFPCSOL-HNNXBMFYSA-N 1 0 306.413 3.865 50 0 DHAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072453464 191171076 /nfs/dbraw/zinc/17/10/76/191171076.db2.gz PVEIPQDOFXHKTR-MRXNPFEDSA-N 1 0 312.457 3.978 50 0 DHAARO CC[NH+](CC)CCN1c2c3c(sc2CCCC1=O)CCCC3 ZINC000000192096 180721135 /nfs/dbraw/zinc/72/11/35/180721135.db2.gz JXBHXICOBQMIEX-UHFFFAOYSA-N 1 0 320.502 3.638 50 0 DHAARO Cc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCCC3)cc1 ZINC000002966506 180972987 /nfs/dbraw/zinc/97/29/87/180972987.db2.gz JYATVUVHSOPIIY-NRFANRHFSA-N 1 0 321.444 3.645 50 0 DHAARO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000003311595 181003146 /nfs/dbraw/zinc/00/31/46/181003146.db2.gz VYTXCPHULMDKCP-UHFFFAOYSA-N 1 0 307.393 3.687 50 0 DHAARO Cc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000003338311 181008285 /nfs/dbraw/zinc/00/82/85/181008285.db2.gz CJHGXPOGHWPUIO-LBPRGKRZSA-N 1 0 320.795 3.904 50 0 DHAARO O=C(Cc1cccs1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003345896 181009134 /nfs/dbraw/zinc/00/91/34/181009134.db2.gz GLWGNDXNLRPKJA-UHFFFAOYSA-N 1 0 320.502 3.596 50 0 DHAARO CC(C)c1ccccc1NC(=S)NCCC[NH2+]C(C)(C)C ZINC000003414960 181016898 /nfs/dbraw/zinc/01/68/98/181016898.db2.gz XWZVXJVOOGBRMN-UHFFFAOYSA-N 1 0 307.507 3.875 50 0 DHAARO CC[C@@H](C)[C@@H](C[NH+]1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000004289991 181092852 /nfs/dbraw/zinc/09/28/52/181092852.db2.gz FMEQBXKNQUWRIY-SJLPKXTDSA-N 1 0 318.461 3.766 50 0 DHAARO CCC(=O)O[C@]1(Cc2ccc(CC)cc2)C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004474250 181111401 /nfs/dbraw/zinc/11/14/01/181111401.db2.gz KOYICGYXDCTHSW-FTRWYGJKSA-N 1 0 317.473 3.844 50 0 DHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccs2)N3)C1 ZINC000004556133 181124164 /nfs/dbraw/zinc/12/41/64/181124164.db2.gz VNNDLTJLUMCMCA-ZDUSSCGKSA-N 1 0 319.455 3.617 50 0 DHAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(O)c3)n2C)cc1 ZINC000004678971 181136344 /nfs/dbraw/zinc/13/63/44/181136344.db2.gz BFVKXYZBOZDRLV-UHFFFAOYSA-N 1 0 323.396 3.804 50 0 DHAARO CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1OC ZINC000004988944 181185862 /nfs/dbraw/zinc/18/58/62/181185862.db2.gz ONHRGPBRRBYNDT-UHFFFAOYSA-N 1 0 315.413 3.735 50 0 DHAARO CCCNC(=O)c1cc2sc(C)c(C[NH+]3CCCCC3)c2[nH]1 ZINC000075487400 191478815 /nfs/dbraw/zinc/47/88/15/191478815.db2.gz VWMIQMQNZXXCOY-UHFFFAOYSA-N 1 0 319.474 3.664 50 0 DHAARO Cc1cc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)ccc1C(C)C ZINC000005028977 181193063 /nfs/dbraw/zinc/19/30/63/181193063.db2.gz OJDWWRKFGQIMLD-RDJZCZTQSA-N 1 0 305.462 3.590 50 0 DHAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000005041365 181195641 /nfs/dbraw/zinc/19/56/41/181195641.db2.gz ROGDSCJNGLOFBZ-UHFFFAOYSA-N 1 0 300.377 3.920 50 0 DHAARO CNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005073316 181201455 /nfs/dbraw/zinc/20/14/55/181201455.db2.gz HMVSNDRBFVZJAK-UHFFFAOYSA-N 1 0 322.452 3.501 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000005186286 181215017 /nfs/dbraw/zinc/21/50/17/181215017.db2.gz KXPRFOGIFRLJDK-ZIAGYGMSSA-N 1 0 311.425 3.760 50 0 biogenic DHAARO CCCCCC[C@H](CC(=O)NCCC[NH+](C)C)c1ccco1 ZINC000005347695 181233154 /nfs/dbraw/zinc/23/31/54/181233154.db2.gz GWSUOLBPMUEULM-MRXNPFEDSA-N 1 0 308.466 3.792 50 0 DHAARO COc1cc2c(cc1OC)[C@H](Cc1ccccc1)[NH2+]C(C)(C)C2 ZINC000005645034 181267462 /nfs/dbraw/zinc/26/74/62/181267462.db2.gz RMAWLNPTDVRATH-KRWDZBQOSA-N 1 0 311.425 3.912 50 0 DHAARO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000237573058 202288163 /nfs/dbraw/zinc/28/81/63/202288163.db2.gz WITIWHTWCLSDHD-VXGBXAGGSA-N 1 0 320.820 3.656 50 0 DHAARO O=C(NC1CC[NH+]([C@H]2/C=C/CCCCC2)CC1)c1ccccc1 ZINC000239619526 202454890 /nfs/dbraw/zinc/45/48/90/202454890.db2.gz BFGIPKITXHVVHA-IBGZPJMESA-N 1 0 312.457 3.770 50 0 DHAARO OC1(c2cccnc2)CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193218913 201008772 /nfs/dbraw/zinc/00/87/72/201008772.db2.gz KSASCHQGRGVQIK-UHFFFAOYSA-N 1 0 322.861 3.717 50 0 DHAARO CC(C)c1csc([C@H]2CCC[N@H+](Cc3ccnc(N)c3)C2)n1 ZINC000193359194 201038033 /nfs/dbraw/zinc/03/80/33/201038033.db2.gz AAKFCLTVSNKYTB-AWEZNQCLSA-N 1 0 316.474 3.623 50 0 DHAARO Cc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000006558958 181355336 /nfs/dbraw/zinc/35/53/36/181355336.db2.gz HCZVFQMOMAATRN-UHFFFAOYSA-N 1 0 303.789 3.709 50 0 DHAARO O=C(c1ccc(F)cc1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000006699927 181372174 /nfs/dbraw/zinc/37/21/74/181372174.db2.gz HARIJUQZROCEGS-UHFFFAOYSA-N 1 0 324.827 3.570 50 0 DHAARO Nc1cc(N)[nH+]c(SCc2ccc(-c3ccccc3)cc2)n1 ZINC000006831854 181396473 /nfs/dbraw/zinc/39/64/73/181396473.db2.gz NFCFGEWPWDGFIO-UHFFFAOYSA-N 1 0 308.410 3.600 50 0 DHAARO CCn1ccnc1[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000091593174 193076116 /nfs/dbraw/zinc/07/61/16/193076116.db2.gz ZHLJTZAHSWQAHI-ZDUSSCGKSA-N 1 0 305.372 3.561 50 0 DHAARO Cc1ccc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)o1 ZINC000093566164 193269387 /nfs/dbraw/zinc/26/93/87/193269387.db2.gz DFDVFBYMKLUHBA-UHFFFAOYSA-N 1 0 313.323 3.710 50 0 DHAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCCCCCC1 ZINC000095369880 193435037 /nfs/dbraw/zinc/43/50/37/193435037.db2.gz UISYPQINHHXMNN-GOSISDBHSA-N 1 0 300.446 3.560 50 0 DHAARO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000008271669 181542227 /nfs/dbraw/zinc/54/22/27/181542227.db2.gz DSAVUPMEOSOELG-UHFFFAOYSA-N 1 0 314.473 3.914 50 0 DHAARO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000014230128 181940196 /nfs/dbraw/zinc/94/01/96/181940196.db2.gz ALTWAYVORVETQX-INIZCTEOSA-N 1 0 307.478 3.848 50 0 DHAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000015550708 182005985 /nfs/dbraw/zinc/00/59/85/182005985.db2.gz FZDXHMKECYBJGV-UHFFFAOYSA-N 1 0 308.425 3.846 50 0 DHAARO CC(C)[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 ZINC000015550254 182006003 /nfs/dbraw/zinc/00/60/03/182006003.db2.gz DWWAMDAYFHIACP-PMACEKPBSA-N 1 0 322.452 3.993 50 0 DHAARO CC(C)(C)[NH2+]CCOCCOc1ccc(Cl)cc1Cl ZINC000015659039 182010256 /nfs/dbraw/zinc/01/02/56/182010256.db2.gz WJJVRRCQCTVSOC-UHFFFAOYSA-N 1 0 306.233 3.777 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@@H](C)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000016192821 182036431 /nfs/dbraw/zinc/03/64/31/182036431.db2.gz IJNRPSLQUTZEGT-IRXDYDNUSA-N 1 0 305.462 3.902 50 0 DHAARO CC1CC[NH+](CCCNC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000017742550 182085732 /nfs/dbraw/zinc/08/57/32/182085732.db2.gz YRVTVRRLBCJJOE-UHFFFAOYSA-N 1 0 309.841 3.584 50 0 DHAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCCN(C)CC3)ccc21 ZINC000019536161 182129219 /nfs/dbraw/zinc/12/92/19/182129219.db2.gz SWPUFUCZIPCXGD-UHFFFAOYSA-N 1 0 321.468 3.952 50 0 DHAARO Fc1ccc(CC[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000019815249 182153630 /nfs/dbraw/zinc/15/36/30/182153630.db2.gz YWIAFEAFHLWAOT-UHFFFAOYSA-N 1 0 308.194 3.921 50 0 DHAARO O=C(C[C@H]1[NH2+]CCc2ccccc21)Nc1cccc(Cl)c1 ZINC000020404868 182214922 /nfs/dbraw/zinc/21/49/22/182214922.db2.gz YTWCWCMSJVIGPX-MRXNPFEDSA-N 1 0 300.789 3.556 50 0 DHAARO O=C(c1ccccc1F)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170588 182268110 /nfs/dbraw/zinc/26/81/10/182268110.db2.gz IDENQCILGUNOTG-INIZCTEOSA-N 1 0 318.436 3.696 50 0 DHAARO FC(F)(F)c1cccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022028472 182305905 /nfs/dbraw/zinc/30/59/05/182305905.db2.gz VOQCGPJENVDOCK-QGZVFWFLSA-N 1 0 320.358 3.700 50 0 DHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc2ccccc21 ZINC000021938388 182298636 /nfs/dbraw/zinc/29/86/36/182298636.db2.gz SDJJCJSGHJNSCY-UHFFFAOYSA-N 1 0 318.420 3.831 50 0 DHAARO [NH3+]CCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000022200109 182312441 /nfs/dbraw/zinc/31/24/41/182312441.db2.gz DFCDLLNULGMFAS-UHFFFAOYSA-N 1 0 302.421 3.527 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)c1sccc1C)c1ccccc1 ZINC000022752174 182332378 /nfs/dbraw/zinc/33/23/78/182332378.db2.gz QNUFLAAPNBWQPD-MRXNPFEDSA-N 1 0 316.470 3.869 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)c1sccc1C)c1ccccc1 ZINC000022752167 182332513 /nfs/dbraw/zinc/33/25/13/182332513.db2.gz QNUFLAAPNBWQPD-INIZCTEOSA-N 1 0 316.470 3.869 50 0 DHAARO c1[nH]c2ccccc2c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000022777626 182333828 /nfs/dbraw/zinc/33/38/28/182333828.db2.gz QPMHVFROEIFKCB-SFHVURJKSA-N 1 0 305.425 3.532 50 0 DHAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)c(OC)c1C ZINC000023550080 182363207 /nfs/dbraw/zinc/36/32/07/182363207.db2.gz BIVDOLJIIRVBJA-UHFFFAOYSA-N 1 0 319.832 3.998 50 0 DHAARO Cc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189750 182376742 /nfs/dbraw/zinc/37/67/42/182376742.db2.gz HGIMWIIXWIKGTH-UHFFFAOYSA-N 1 0 308.425 3.521 50 0 DHAARO C[NH+](C)Cc1ccccc1NC(=O)c1ccccc1OC(F)F ZINC000024809301 182391467 /nfs/dbraw/zinc/39/14/67/182391467.db2.gz CIIHCKUBEDMKJT-UHFFFAOYSA-N 1 0 320.339 3.602 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000038673439 183006210 /nfs/dbraw/zinc/00/62/10/183006210.db2.gz FLHVTJCDPBKREQ-AWEZNQCLSA-N 1 0 323.849 3.826 50 0 DHAARO Cc1cccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000040061075 183030673 /nfs/dbraw/zinc/03/06/73/183030673.db2.gz FJJKFXLUABJUIT-UHFFFAOYSA-N 1 0 314.473 3.723 50 0 DHAARO O=C1Nc2ccccc2CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000039381936 183017248 /nfs/dbraw/zinc/01/72/48/183017248.db2.gz IIJKKEKDXSQIEH-UHFFFAOYSA-N 1 0 321.424 3.699 50 0 DHAARO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC000040449924 183068492 /nfs/dbraw/zinc/06/84/92/183068492.db2.gz YTGCOTYSXLIHNV-UHFFFAOYSA-N 1 0 316.445 3.520 50 0 DHAARO CCc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770588 183307203 /nfs/dbraw/zinc/30/72/03/183307203.db2.gz XCRXFNBRGIWFDT-CYBMUJFWSA-N 1 0 312.251 3.923 50 0 DHAARO CCCc1cc(Br)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042774479 183307784 /nfs/dbraw/zinc/30/77/84/183307784.db2.gz DHKCJIKECTUIHD-LBPRGKRZSA-N 1 0 312.251 3.780 50 0 DHAARO c1cc2cc(CN3CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000042804962 183310675 /nfs/dbraw/zinc/31/06/75/183310675.db2.gz LPGFROXKLSHTSS-UHFFFAOYSA-N 1 0 306.409 3.751 50 0 DHAARO COc1ccc2ccccc2c1[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12 ZINC000043155979 183342314 /nfs/dbraw/zinc/34/23/14/183342314.db2.gz IPCTZAPSIHIEIV-AHRSYUTCSA-N 1 0 311.425 3.804 50 0 DHAARO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3nc(C)c(C)o3)C2)cc1 ZINC000110607749 194343161 /nfs/dbraw/zinc/34/31/61/194343161.db2.gz BYBMAZJWTHVUAJ-WBMJQRKESA-N 1 0 300.402 3.678 50 0 DHAARO CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000057406596 184037368 /nfs/dbraw/zinc/03/73/68/184037368.db2.gz HNIYFUJSSBQMGI-ZDUSSCGKSA-N 1 0 300.427 3.698 50 0 DHAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000057411287 184037485 /nfs/dbraw/zinc/03/74/85/184037485.db2.gz HINFCUOERTUGCP-MRXNPFEDSA-N 1 0 323.440 3.576 50 0 DHAARO CCCCc1noc([C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000057992258 184065728 /nfs/dbraw/zinc/06/57/28/184065728.db2.gz DTYBEWIOGWDOKQ-OAHLLOKOSA-N 1 0 322.497 3.527 50 0 DHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000058183292 184085572 /nfs/dbraw/zinc/08/55/72/184085572.db2.gz WAJMXFRMRUIJBO-KRWDZBQOSA-N 1 0 315.461 3.662 50 0 DHAARO CC[N@H+](CCc1cccs1)CC(=O)Nc1c(F)cccc1F ZINC000058209856 184088281 /nfs/dbraw/zinc/08/82/81/184088281.db2.gz GZLBSNNLFPOCLO-UHFFFAOYSA-N 1 0 324.396 3.529 50 0 DHAARO Cc1ccc(C)c(NC(=O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000058145387 184080829 /nfs/dbraw/zinc/08/08/29/184080829.db2.gz HZNOSCZXKASXOR-UHFFFAOYSA-N 1 0 308.425 3.911 50 0 DHAARO Cc1ccc(NC(=O)C[NH2+]Cc2cccc(Cl)c2)c(C)c1 ZINC000058160404 184081884 /nfs/dbraw/zinc/08/18/84/184081884.db2.gz WYXYYBAFWDBICF-UHFFFAOYSA-N 1 0 302.805 3.685 50 0 DHAARO C/C=C/C=C/C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000058357104 184108469 /nfs/dbraw/zinc/10/84/69/184108469.db2.gz PRSDPGKUVCNZAC-VNKDHWASSA-N 1 0 316.470 3.615 50 0 DHAARO Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]Cc1cccs1 ZINC000058305015 184102895 /nfs/dbraw/zinc/10/28/95/184102895.db2.gz JXXUIADVBNWMGD-UHFFFAOYSA-N 1 0 313.426 3.872 50 0 DHAARO CC[NH+](CC)[C@H](CNc1nccc(C(F)(F)F)n1)CC(C)C ZINC000058666354 184126080 /nfs/dbraw/zinc/12/60/80/184126080.db2.gz PUMAEUMFHMVGEH-LBPRGKRZSA-N 1 0 318.387 3.664 50 0 DHAARO CN(C(=O)C[N@H+](CC1CCCCC1)C1CC1)c1ccccc1 ZINC000059391048 184137839 /nfs/dbraw/zinc/13/78/39/184137839.db2.gz LUIXDSAJIIYVNS-UHFFFAOYSA-N 1 0 300.446 3.694 50 0 DHAARO C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000063508554 184284012 /nfs/dbraw/zinc/28/40/12/184284012.db2.gz IAKJJFPXPYMQQS-NSHDSACASA-N 1 0 309.335 3.779 50 0 DHAARO Cc1ccsc1C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000065287947 184322663 /nfs/dbraw/zinc/32/26/63/184322663.db2.gz DLOKORYGRHSUPU-CQSZACIVSA-N 1 0 304.463 3.609 50 0 DHAARO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(C)c2)cn1 ZINC000065381839 184331771 /nfs/dbraw/zinc/33/17/71/184331771.db2.gz OHKPYJVWAWRPIM-ZDUSSCGKSA-N 1 0 317.820 3.641 50 0 DHAARO CCC1=NO[C@@H](C[NH2+]Cc2cnc(-c3ccccc3C)s2)C1 ZINC000065425207 184342647 /nfs/dbraw/zinc/34/26/47/184342647.db2.gz JAUMMOKSRNCGFH-CQSZACIVSA-N 1 0 315.442 3.763 50 0 DHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CCSCC1 ZINC000065459054 184348066 /nfs/dbraw/zinc/34/80/66/184348066.db2.gz PUIYUHOGXKEZSF-UHFFFAOYSA-N 1 0 319.449 3.613 50 0 DHAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C[C@H]1O ZINC000065397216 184335959 /nfs/dbraw/zinc/33/59/59/184335959.db2.gz BZJHGGDLIBUFQF-IAGOWNOFSA-N 1 0 301.455 3.715 50 0 DHAARO Cc1ccc(-n2cc(C3=CC[N@H+](CCCF)CC3)cn2)cc1C ZINC000065398377 184336477 /nfs/dbraw/zinc/33/64/77/184336477.db2.gz DGAFBWSEBLLFSL-UHFFFAOYSA-N 1 0 313.420 3.938 50 0 DHAARO Oc1ccc(C2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000155113366 197023124 /nfs/dbraw/zinc/02/31/24/197023124.db2.gz WRQWNDSBORMSRQ-HYRAECKPSA-N 1 0 315.457 3.966 50 0 DHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000237467374 257239110 /nfs/dbraw/zinc/23/91/10/257239110.db2.gz QREYRLTUFLAPBH-JVDULTGUSA-N 1 0 314.473 3.689 50 0 DHAARO COc1ccc(-c2ccc(Cn3ccnc3)cc2)c(OC)c1OC ZINC000014946286 257242827 /nfs/dbraw/zinc/24/28/27/257242827.db2.gz FKNKXRIEZUMVKB-UHFFFAOYSA-N 1 0 324.380 3.624 50 0 DHAARO Cc1nc2ccc(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)cn2n1 ZINC000426382935 257252206 /nfs/dbraw/zinc/25/22/06/257252206.db2.gz PNKDIBUFHSZSRX-CQSZACIVSA-N 1 0 306.413 3.862 50 0 DHAARO Cc1ccc2cc(C[NH2+][C@H](CO)c3cccc(F)c3)ccc2n1 ZINC000408514297 257255891 /nfs/dbraw/zinc/25/58/91/257255891.db2.gz IZSNJPRFNFSWKF-LJQANCHMSA-N 1 0 310.372 3.506 50 0 DHAARO O=[N+]1C(c2cccc(C(F)(F)F)c2)=CN(O)[C@@H]2CCCC[C@@H]21 ZINC000334157313 257261755 /nfs/dbraw/zinc/26/17/55/257261755.db2.gz IQSMOYZICQIYJL-OLZOCXBDSA-N 1 0 313.299 3.799 50 0 DHAARO c1cc(-c2ccccc2)oc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000285183324 131145762 /nfs/dbraw/zinc/14/57/62/131145762.db2.gz VPBRZFJAZSQJPD-AZUAARDMSA-N 1 0 320.392 3.961 50 0 DHAARO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129715421 196070602 /nfs/dbraw/zinc/07/06/02/196070602.db2.gz UXPVCZLLUGMTLH-KWCYVHTRSA-N 1 0 303.372 3.538 50 0 DHAARO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417302627 334704229 /nfs/dbraw/zinc/70/42/29/334704229.db2.gz CPBKSYWPRUHUHV-LEUOFYLZSA-N 1 0 315.482 3.996 50 0 DHAARO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1ccc3occc3c1)CC2 ZINC000368511687 336846427 /nfs/dbraw/zinc/84/64/27/336846427.db2.gz LYVFFZHUGXEXLW-QGZVFWFLSA-N 1 0 309.413 3.857 50 0 DHAARO Cc1cc2cc(C[NH2+]Cc3cnc4n3CCCC4)oc2cc1C ZINC000376717157 337039904 /nfs/dbraw/zinc/03/99/04/337039904.db2.gz QGCYFGYKNAGSLP-UHFFFAOYSA-N 1 0 309.413 3.872 50 0 DHAARO COC[C@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)C1CC1 ZINC000136674403 341264733 /nfs/dbraw/zinc/26/47/33/341264733.db2.gz IATPITBBNXJVHA-KRWDZBQOSA-N 1 0 321.424 3.516 50 0 DHAARO CCS[C@H]1CCCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000328592605 529225303 /nfs/dbraw/zinc/22/53/03/529225303.db2.gz NUFZCJROGCCHQF-JKSUJKDBSA-N 1 0 313.894 3.981 50 0 DHAARO CC[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000248115795 563600728 /nfs/dbraw/zinc/60/07/28/563600728.db2.gz SDWPQJDIGRLAPJ-CJNGLKHVSA-N 1 0 308.853 3.782 50 0 DHAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000003151865 563942432 /nfs/dbraw/zinc/94/24/32/563942432.db2.gz SYTSDFJMWZSPFV-QGZVFWFLSA-N 1 0 305.462 3.600 50 0 DHAARO COC(=O)CN1C(C)=[NH+]c2ccc(C)cc2[C@H]1c1ccccc1 ZINC000000179149 563228610 /nfs/dbraw/zinc/22/86/10/563228610.db2.gz VWBYNUFXYIBZNI-LJQANCHMSA-N 1 0 308.381 3.623 50 0 DHAARO CC1(C)CC(NC(=O)c2ccc3ccccc3c2)CC(C)(C)[NH2+]1 ZINC000000191612 563229819 /nfs/dbraw/zinc/22/98/19/563229819.db2.gz TUYHDNBKCQTNLN-UHFFFAOYSA-N 1 0 310.441 3.879 50 0 DHAARO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(C)c1C ZINC000000282530 563235949 /nfs/dbraw/zinc/23/59/49/563235949.db2.gz SBUJZZRVSMMSRJ-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO C[C@@H](C[NH+]1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000000383094 563248041 /nfs/dbraw/zinc/24/80/41/563248041.db2.gz BVODEVLJXZALEU-KRWDZBQOSA-N 1 0 323.436 3.846 50 0 DHAARO c1ccc(SCCOCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002191180 563301568 /nfs/dbraw/zinc/30/15/68/563301568.db2.gz AVXSHUHCOUQLEG-UHFFFAOYSA-N 1 0 313.466 3.854 50 0 DHAARO CCOC(=O)OC1(Cc2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000002529374 563307922 /nfs/dbraw/zinc/30/79/22/563307922.db2.gz SMQBUAOZEZPTFZ-UHFFFAOYSA-N 1 0 311.809 3.520 50 0 DHAARO CC[NH+](CC)CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002795863 563313763 /nfs/dbraw/zinc/31/37/63/563313763.db2.gz VCNQOEOESSSEOA-UHFFFAOYSA-N 1 0 310.441 3.815 50 0 DHAARO CCCC[NH2+]CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000003003834 563321161 /nfs/dbraw/zinc/32/11/61/563321161.db2.gz WWQAILFIXPNBRV-UHFFFAOYSA-N 1 0 306.233 3.779 50 0 DHAARO Cc1cc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C(C)C ZINC000012169996 563363214 /nfs/dbraw/zinc/36/32/14/563363214.db2.gz IBEOLOWEHFZXPQ-SOLBZPMBSA-N 1 0 319.489 3.836 50 0 DHAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(F)c2)N1C1CCCCC1 ZINC000012245955 563365323 /nfs/dbraw/zinc/36/53/23/563365323.db2.gz NOGAMLQIILKONV-GOSISDBHSA-N 1 0 318.436 3.629 50 0 DHAARO COc1ccc(CC[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012439115 563370084 /nfs/dbraw/zinc/37/00/84/563370084.db2.gz CSGAXWOOCSGOBO-GOSISDBHSA-N 1 0 310.441 3.935 50 0 DHAARO CC[C@@H]1CN(Cc2cccc(C)n2)Cc2cc(OC)ccc2O1 ZINC000012511044 563370873 /nfs/dbraw/zinc/37/08/73/563370873.db2.gz IPFUVCZLJNVMBQ-QGZVFWFLSA-N 1 0 312.413 3.572 50 0 DHAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C)c2)oc1C ZINC000012571956 563371601 /nfs/dbraw/zinc/37/16/01/563371601.db2.gz FTZCNBHJIYSKBF-QGZVFWFLSA-N 1 0 314.429 3.959 50 0 DHAARO Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012939632 563375589 /nfs/dbraw/zinc/37/55/89/563375589.db2.gz HUHGDKCLOCANDO-IBGZPJMESA-N 1 0 323.440 3.954 50 0 DHAARO CC(=O)c1cccc(NC(=O)CN(C)[C@@H](C)c2cccs2)c1 ZINC000014109092 563395726 /nfs/dbraw/zinc/39/57/26/563395726.db2.gz GRGULULOZBYFHY-LBPRGKRZSA-N 1 0 316.426 3.582 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000014202086 563398391 /nfs/dbraw/zinc/39/83/91/563398391.db2.gz HFXCITHPWPIGGI-JFIYKMOQSA-N 1 0 313.441 3.557 50 0 DHAARO Brc1c(OC[C@H]2CCC[NH2+]C2)ccc2ccccc21 ZINC000014631287 563402180 /nfs/dbraw/zinc/40/21/80/563402180.db2.gz HCOXBKMTQNDQBU-LBPRGKRZSA-N 1 0 320.230 3.981 50 0 DHAARO c1nc(-c2ccccc2)sc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000014978057 563404763 /nfs/dbraw/zinc/40/47/63/563404763.db2.gz TXNRFINRRKIPGX-MRXNPFEDSA-N 1 0 322.433 3.903 50 0 DHAARO C[C@@H]1C[C@](OC(=O)c2ccco2)(c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000015023487 563406295 /nfs/dbraw/zinc/40/62/95/563406295.db2.gz HGXBXQXWBLWWHO-QMTMVMCOSA-N 1 0 313.397 3.692 50 0 DHAARO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000026466607 563426038 /nfs/dbraw/zinc/42/60/38/563426038.db2.gz CQUXPSSVNJRRNB-SCRDCRAPSA-N 1 0 308.853 3.953 50 0 DHAARO CC(C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027662153 563429450 /nfs/dbraw/zinc/42/94/50/563429450.db2.gz ZVEFNYPLAVTPDN-INIZCTEOSA-N 1 0 308.853 3.639 50 0 DHAARO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCc2ccccc21 ZINC000029489218 563434719 /nfs/dbraw/zinc/43/47/19/563434719.db2.gz FDAZFGLYWARFLG-KRWDZBQOSA-N 1 0 316.351 3.523 50 0 DHAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1F ZINC000029483685 563434779 /nfs/dbraw/zinc/43/47/79/563434779.db2.gz DVUWCQJHPRPDEH-GOSISDBHSA-N 1 0 312.388 3.692 50 0 DHAARO CN(CC[NH+](C)C)Cc1ccccc1Sc1ccccc1F ZINC000033892371 563446475 /nfs/dbraw/zinc/44/64/75/563446475.db2.gz CJURUNISWCKFPK-UHFFFAOYSA-N 1 0 318.461 3.970 50 0 DHAARO CC(C)c1ccc(OCCOCC[NH+]2CCC(C)CC2)cc1 ZINC000002957636 563449904 /nfs/dbraw/zinc/44/99/04/563449904.db2.gz DINYQNXFFKERCH-UHFFFAOYSA-N 1 0 305.462 3.937 50 0 DHAARO Cc1nn(C)c(Cl)c1CN(C)CCOc1ccc(C)cc1C ZINC000055358880 563474720 /nfs/dbraw/zinc/47/47/20/563474720.db2.gz LYURAHRKOKJCOZ-UHFFFAOYSA-N 1 0 321.852 3.510 50 0 DHAARO C[C@H](Cc1ccsc1)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055393664 563475528 /nfs/dbraw/zinc/47/55/28/563475528.db2.gz DKIJXHCUXWFYTF-GFCCVEGCSA-N 1 0 315.417 3.998 50 0 DHAARO CCn1cc(C[N@H+](Cc2ccc(SC)cc2)C2CC2)cn1 ZINC000055575632 563476135 /nfs/dbraw/zinc/47/61/35/563476135.db2.gz BDLBJFBYZWCCFX-UHFFFAOYSA-N 1 0 301.459 3.790 50 0 DHAARO CCOc1ccccc1C[N@H+](Cc1ccc2nonc2c1)C1CC1 ZINC000055569024 563476637 /nfs/dbraw/zinc/47/66/37/563476637.db2.gz HBWNVKNIKGGQME-UHFFFAOYSA-N 1 0 323.396 3.786 50 0 DHAARO Fc1ccc(N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000060050085 563479668 /nfs/dbraw/zinc/47/96/68/563479668.db2.gz PCLWAFVRAWUFRN-UHFFFAOYSA-N 1 0 309.388 3.629 50 0 DHAARO COc1ccc(CN(Cc2ncc(C)o2)C(C)(C)C)c(OC)c1 ZINC000096474633 563483582 /nfs/dbraw/zinc/48/35/82/563483582.db2.gz KQVSHSJSYGMMMF-UHFFFAOYSA-N 1 0 318.417 3.801 50 0 DHAARO O[C@@H](C[C@H]1CCCCCN1Cc1cscn1)c1ccco1 ZINC000096468682 563483645 /nfs/dbraw/zinc/48/36/45/563483645.db2.gz HFGVCZNETUBZOA-CABCVRRESA-N 1 0 306.431 3.604 50 0 DHAARO CCC(CC)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000060389999 563484215 /nfs/dbraw/zinc/48/42/15/563484215.db2.gz OUHRECPVLYLEEO-UHFFFAOYSA-N 1 0 317.477 3.512 50 0 DHAARO Cc1cccc([C@@H](C)C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000096478273 563484399 /nfs/dbraw/zinc/48/43/99/563484399.db2.gz NPRGCBSJLCDDIZ-SFHVURJKSA-N 1 0 323.484 3.748 50 0 DHAARO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1ccncc1 ZINC000096478333 563484409 /nfs/dbraw/zinc/48/44/09/563484409.db2.gz UEZIAWQSUQRXAG-GUYCJALGSA-N 1 0 300.402 3.901 50 0 DHAARO Cc1cccc([C@H](C)C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000096478275 563484446 /nfs/dbraw/zinc/48/44/46/563484446.db2.gz NPRGCBSJLCDDIZ-GOSISDBHSA-N 1 0 323.484 3.748 50 0 DHAARO C[C@@H]([NH2+]Cc1cccc(COC2CCCC2)c1)c1cnn(C)c1 ZINC000096477437 563484456 /nfs/dbraw/zinc/48/44/56/563484456.db2.gz SNPDWHCRRCDKCJ-OAHLLOKOSA-N 1 0 313.445 3.730 50 0 DHAARO Cc1cc2c(c(-c3ccc(-c4ccon4)s3)c1)O[C@@H](C[NH3+])C2 ZINC000067561091 563487817 /nfs/dbraw/zinc/48/78/17/563487817.db2.gz KZIUWGSUJADXPL-GFCCVEGCSA-N 1 0 312.394 3.641 50 0 DHAARO Cc1cccc([C@H](CNC(=O)c2sccc2Cl)[NH+](C)C)c1 ZINC000067974062 563494257 /nfs/dbraw/zinc/49/42/57/563494257.db2.gz SGSNSWSQHFSUQZ-AWEZNQCLSA-N 1 0 322.861 3.743 50 0 DHAARO CC[N@@H+]1CC[C@H](CNC(=O)Nc2c(C)cccc2C(C)(C)C)C1 ZINC000067954803 563494278 /nfs/dbraw/zinc/49/42/78/563494278.db2.gz AVAZGDXGLAMFDJ-OAHLLOKOSA-N 1 0 317.477 3.756 50 0 DHAARO CCc1[nH]c2ccc(CNc3cc(C)[nH+]c(NC)n3)cc2c1C ZINC000071575395 563499601 /nfs/dbraw/zinc/49/96/01/563499601.db2.gz KECNKEDSWFSGED-UHFFFAOYSA-N 1 0 309.417 3.791 50 0 DHAARO Cc1nc([C@H]2CCC[N@@H+](C(C)C)C2)sc1Br ZINC000072343527 563503242 /nfs/dbraw/zinc/50/32/42/563503242.db2.gz LLFMEULNCOIKMY-JTQLQIEISA-N 1 0 303.269 3.802 50 0 DHAARO CSc1ccsc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000074334600 563504044 /nfs/dbraw/zinc/50/40/44/563504044.db2.gz QDNQZPPNRDVFSM-UHFFFAOYSA-N 1 0 314.520 3.709 50 0 DHAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc3ccccc3o2)C1(CC)CC ZINC000097164321 563507877 /nfs/dbraw/zinc/50/78/77/563507877.db2.gz LLMUKIKUYXFHMS-HZPDHXFCSA-N 1 0 302.418 3.901 50 0 DHAARO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 ZINC000077535889 563511672 /nfs/dbraw/zinc/51/16/72/563511672.db2.gz BTLRUIKRIVMSNW-OAHLLOKOSA-N 1 0 306.413 3.646 50 0 DHAARO CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000097229630 563514070 /nfs/dbraw/zinc/51/40/70/563514070.db2.gz RACIXPNHACUEFU-AVYPCKFXSA-N 1 0 317.857 3.649 50 0 DHAARO C=Cc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000096131424 563533556 /nfs/dbraw/zinc/53/35/56/563533556.db2.gz ZMTPOSZMXVZJII-GOSISDBHSA-N 1 0 313.445 3.812 50 0 DHAARO C[C@H](Cc1cnccn1)N(C)Cc1nc(-c2ccccc2)cs1 ZINC000097402347 563539425 /nfs/dbraw/zinc/53/94/25/563539425.db2.gz QIHKIERZJWGXIB-CQSZACIVSA-N 1 0 324.453 3.663 50 0 DHAARO C[N@H+](CCC1CCOCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000097551323 563540493 /nfs/dbraw/zinc/54/04/93/563540493.db2.gz QPELXXPICQYWOC-UHFFFAOYSA-N 1 0 301.352 3.954 50 0 DHAARO Cc1cc(-n2cccn2)ccc1CN(C)Cc1cc(C2CC2)on1 ZINC000097784891 563542621 /nfs/dbraw/zinc/54/26/21/563542621.db2.gz IDDYJFFAELEKOT-UHFFFAOYSA-N 1 0 322.412 3.678 50 0 DHAARO CNC(=O)[C@H]1CCCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000097831185 563543416 /nfs/dbraw/zinc/54/34/16/563543416.db2.gz VKVAIMMRCDHYBQ-LJQANCHMSA-N 1 0 324.424 3.579 50 0 DHAARO Fc1ccccc1CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000000220237 563579220 /nfs/dbraw/zinc/57/92/20/563579220.db2.gz CBFOZUUJAWYZDN-UHFFFAOYSA-N 1 0 312.432 3.622 50 0 DHAARO Cc1ccc(NC(=O)N2CCC([N@@H+](C)C(C)C)CC2)cc1C ZINC000000260961 563583704 /nfs/dbraw/zinc/58/37/04/563583704.db2.gz JEBXAQGZQGTYIH-UHFFFAOYSA-N 1 0 303.450 3.640 50 0 DHAARO CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](C[NH+]3CCCC3)O2)cc1 ZINC000000313344 563587296 /nfs/dbraw/zinc/58/72/96/563587296.db2.gz CIMCOJULBOGSHT-RTBURBONSA-N 1 0 317.473 3.754 50 0 DHAARO O[C@@H](c1ccccc1)c1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1 ZINC000000382805 563591171 /nfs/dbraw/zinc/59/11/71/563591171.db2.gz AHBSFBQHTBVUMG-NQIIRXRSSA-N 1 0 318.420 3.704 50 0 DHAARO O[C@H](c1ccccc1)c1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1 ZINC000000382806 563591313 /nfs/dbraw/zinc/59/13/13/563591313.db2.gz AHBSFBQHTBVUMG-WIYYLYMNSA-N 1 0 318.420 3.704 50 0 DHAARO COc1cc(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1O ZINC000129923566 563605925 /nfs/dbraw/zinc/60/59/25/563605925.db2.gz JTVQGSKMFZZMQS-QWHCGFSZSA-N 1 0 317.351 3.654 50 0 DHAARO COCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000247845452 563605963 /nfs/dbraw/zinc/60/59/63/563605963.db2.gz MNMGHCKXLNOTJK-UHFFFAOYSA-N 1 0 312.388 3.565 50 0 DHAARO C[C@H]1C[C@H](N(C)Cc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000135132304 563608175 /nfs/dbraw/zinc/60/81/75/563608175.db2.gz GWOKUOYLVDTLMX-DOTOQJQBSA-N 1 0 315.486 3.628 50 0 DHAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136493654 563622720 /nfs/dbraw/zinc/62/27/20/563622720.db2.gz QWIORALZDTZFSP-NVXWUHKLSA-N 1 0 303.446 3.795 50 0 DHAARO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000236719420 563625523 /nfs/dbraw/zinc/62/55/23/563625523.db2.gz YTTOHAAPJGRTTC-MRXNPFEDSA-N 1 0 320.820 3.861 50 0 DHAARO CCC[NH+]1CCC(NCc2ccc(Cl)cc2Cl)CC1 ZINC000000757601 563632318 /nfs/dbraw/zinc/63/23/18/563632318.db2.gz LTSXDGBYCBMYRI-UHFFFAOYSA-N 1 0 301.261 3.957 50 0 DHAARO Cc1cc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc(C)c1Cl ZINC000008552898 563634027 /nfs/dbraw/zinc/63/40/27/563634027.db2.gz QHCAZSIDWTYHKC-CABCVRRESA-N 1 0 311.853 3.571 50 0 DHAARO c1cc([C@@H]2CCC[N@H+]2CC2=CSC3=NCCCN23)cs1 ZINC000101083867 563650192 /nfs/dbraw/zinc/65/01/92/563650192.db2.gz PTRTTXOLFUWIEO-AWEZNQCLSA-N 1 0 305.472 3.535 50 0 DHAARO O=C(NCC[NH+]1CCCCC1)c1sccc1-c1ccccc1 ZINC000046854733 563678244 /nfs/dbraw/zinc/67/82/44/563678244.db2.gz NLWDGDWWFAKWHY-UHFFFAOYSA-N 1 0 314.454 3.631 50 0 DHAARO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccccn1)c1ccco1 ZINC000108105057 563686755 /nfs/dbraw/zinc/68/67/55/563686755.db2.gz RALQCDQKKYIZEJ-IAGOWNOFSA-N 1 0 300.402 3.543 50 0 DHAARO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000108489462 563688884 /nfs/dbraw/zinc/68/88/84/563688884.db2.gz AOYHLFHFBYGRBL-KKZNHRDASA-N 1 0 303.233 3.794 50 0 DHAARO CCC[C@@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1 ZINC000048223112 563693446 /nfs/dbraw/zinc/69/34/46/563693446.db2.gz KEQITQHGPFPRPP-QGZVFWFLSA-N 1 0 320.396 3.539 50 0 DHAARO CCC[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1 ZINC000048223111 563693479 /nfs/dbraw/zinc/69/34/79/563693479.db2.gz KEQITQHGPFPRPP-KRWDZBQOSA-N 1 0 320.396 3.539 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc2ccccc21 ZINC000048225100 563694119 /nfs/dbraw/zinc/69/41/19/563694119.db2.gz LIVXXRDCVOXLJO-OAHLLOKOSA-N 1 0 313.470 3.611 50 0 DHAARO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCCCCC2)cc1 ZINC000048272952 563694795 /nfs/dbraw/zinc/69/47/95/563694795.db2.gz IIGOVRHAXHLWSV-HNNXBMFYSA-N 1 0 320.502 3.631 50 0 DHAARO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000048301111 563695685 /nfs/dbraw/zinc/69/56/85/563695685.db2.gz GBTLHNXNADIYKG-OAHLLOKOSA-N 1 0 300.427 3.548 50 0 DHAARO c1cc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000215327732 563705083 /nfs/dbraw/zinc/70/50/83/563705083.db2.gz WERMOKIARRFYKK-OAHLLOKOSA-N 1 0 324.453 3.913 50 0 DHAARO Cc1n[nH]c(C)c1CN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000215328512 563705438 /nfs/dbraw/zinc/70/54/38/563705438.db2.gz PDZPFNDRHQBTGQ-KRWDZBQOSA-N 1 0 309.417 3.630 50 0 DHAARO CCn1ccc2c1cccc2C[N@H+](C)[C@H](COC)c1ccccn1 ZINC000215496446 563705598 /nfs/dbraw/zinc/70/55/98/563705598.db2.gz UXWNVSRMQVNYDS-HXUWFJFHSA-N 1 0 323.440 3.876 50 0 DHAARO Cc1ccc(-n2cccn2)c(C[N@H+](C)CCC[C@H]2CCCO2)c1 ZINC000215568450 563706419 /nfs/dbraw/zinc/70/64/19/563706419.db2.gz PFKUFACNMCZHOD-SFHVURJKSA-N 1 0 313.445 3.572 50 0 DHAARO CC(C)n1cncc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000215867438 563707272 /nfs/dbraw/zinc/70/72/72/563707272.db2.gz MDIDYJNWLJHPTH-UHFFFAOYSA-N 1 0 309.457 3.944 50 0 DHAARO CS[C@@H](C)CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000215866808 563707325 /nfs/dbraw/zinc/70/73/25/563707325.db2.gz NANSTQJJFYBXEK-ZDUSSCGKSA-N 1 0 303.475 3.884 50 0 DHAARO C[C@H](CO)C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000225517505 563757747 /nfs/dbraw/zinc/75/77/47/563757747.db2.gz STWKJNAUVUFHHC-JTQLQIEISA-N 1 0 314.212 3.971 50 0 DHAARO CSc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)s1 ZINC000225551839 563758886 /nfs/dbraw/zinc/75/88/86/563758886.db2.gz YDVPEUMSFWCVQG-AWEZNQCLSA-N 1 0 322.499 3.990 50 0 DHAARO CC[NH+](CC)C[C@H](O)Cn1c(C)c(C)c2cccc(Cl)c21 ZINC000012421915 563774159 /nfs/dbraw/zinc/77/41/59/563774159.db2.gz NWDPRMHVVATIQD-AWEZNQCLSA-N 1 0 308.853 3.614 50 0 DHAARO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000241121745 563776729 /nfs/dbraw/zinc/77/67/29/563776729.db2.gz JDQWVTNSQMTIOX-APPDUMDISA-N 1 0 309.331 3.970 50 0 DHAARO Cn1ccnc1CCC[N@H+](C)Cc1cc(C2CCCCC2)no1 ZINC000244724187 563779194 /nfs/dbraw/zinc/77/91/94/563779194.db2.gz MPLDXQHGUJCBNN-UHFFFAOYSA-N 1 0 316.449 3.520 50 0 DHAARO C[NH+](C)[C@H](CNc1ncnc2sccc21)c1ccc(F)cc1 ZINC000052486039 563787954 /nfs/dbraw/zinc/78/79/54/563787954.db2.gz PMJHHULDMOORBX-CQSZACIVSA-N 1 0 316.405 3.545 50 0 DHAARO COCc1noc(CN2CCCC[C@H]2c2cccc(C)c2C)n1 ZINC000182369538 563793987 /nfs/dbraw/zinc/79/39/87/563793987.db2.gz BALFDFVKXMQAJL-INIZCTEOSA-N 1 0 315.417 3.560 50 0 DHAARO Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC000012525246 563797446 /nfs/dbraw/zinc/79/74/46/563797446.db2.gz ITHAUMBMSXXONL-INIZCTEOSA-N 1 0 319.408 3.980 50 0 DHAARO CC(=O)c1c(F)cccc1N[C@@H](c1nccn1C)c1ccccc1 ZINC000012525604 563797721 /nfs/dbraw/zinc/79/77/21/563797721.db2.gz GJDGACIENSVHPG-GOSISDBHSA-N 1 0 323.371 3.963 50 0 DHAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C)cc1 ZINC000012530340 563798256 /nfs/dbraw/zinc/79/82/56/563798256.db2.gz PCXRUBGGHOIQEN-UHFFFAOYSA-N 1 0 307.397 3.684 50 0 DHAARO O=C(NCC12CCC[NH+]1CCC2)Nc1cccc2ccccc21 ZINC000299767022 563805701 /nfs/dbraw/zinc/80/57/01/563805701.db2.gz AMVFDNZCYCGXAS-UHFFFAOYSA-N 1 0 309.413 3.590 50 0 DHAARO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2=CCCCC2)cc1 ZINC000012691675 563811175 /nfs/dbraw/zinc/81/11/75/563811175.db2.gz PWOHVUGDQPMOLP-HNNXBMFYSA-N 1 0 316.445 3.892 50 0 DHAARO c1coc(CC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000012741344 563820034 /nfs/dbraw/zinc/82/00/34/563820034.db2.gz LLFOQIYYIRSPTG-UHFFFAOYSA-N 1 0 317.392 3.951 50 0 DHAARO O=C(CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1)N1CCCCC1 ZINC000053128629 563823946 /nfs/dbraw/zinc/82/39/46/563823946.db2.gz CWKYXOKNEFZYHV-UHFFFAOYSA-N 1 0 320.864 3.707 50 0 DHAARO Cc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)nc1 ZINC000084191512 563824827 /nfs/dbraw/zinc/82/48/27/563824827.db2.gz CKLRQYDRMQHZTD-IBGZPJMESA-N 1 0 312.413 3.648 50 0 DHAARO Cc1ccccc1C[N@@H+](C)CCC(=O)N[C@H](C)c1ccccc1 ZINC000012754062 563825054 /nfs/dbraw/zinc/82/50/54/563825054.db2.gz NGAAALDUKMJIGP-QGZVFWFLSA-N 1 0 310.441 3.694 50 0 DHAARO O=c1cc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)occ1O ZINC000084594640 563828490 /nfs/dbraw/zinc/82/84/90/563828490.db2.gz SWIUCNMUCCWIJS-QGZVFWFLSA-N 1 0 324.380 3.554 50 0 DHAARO CC(C)[C@H](c1ccccc1)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000084715130 563829644 /nfs/dbraw/zinc/82/96/44/563829644.db2.gz ZADZANFZYYXYBD-YLJYHZDGSA-N 1 0 316.489 3.569 50 0 DHAARO C[C@H]1CN(CC[NH2+]Cc2cccc(-c3ccccc3)c2)C[C@H](C)O1 ZINC000084706319 563829742 /nfs/dbraw/zinc/82/97/42/563829742.db2.gz ZBMDBHYASIVXSV-ROUUACIJSA-N 1 0 324.468 3.552 50 0 DHAARO CCC[NH+]1CCC(N(C)C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000084755293 563830850 /nfs/dbraw/zinc/83/08/50/563830850.db2.gz BDSXXBHKLXTUBO-IAGOWNOFSA-N 1 0 306.494 3.558 50 0 DHAARO CC[NH+]1CCC(n2nccc2NCc2ccccc2Cl)CC1 ZINC000084789065 563831240 /nfs/dbraw/zinc/83/12/40/563831240.db2.gz VALFFVDHBSHGFV-UHFFFAOYSA-N 1 0 318.852 3.805 50 0 DHAARO Cc1ccc2c(C[N@H+](C)CCOc3ccccc3)cc(=O)oc2c1 ZINC000012856553 563844930 /nfs/dbraw/zinc/84/49/30/563844930.db2.gz WAWYRJOCHVPIIX-UHFFFAOYSA-N 1 0 323.392 3.612 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000012900283 563853077 /nfs/dbraw/zinc/85/30/77/563853077.db2.gz BGRGOKOVTSEWIK-NEPJUHHUSA-N 1 0 322.861 3.757 50 0 DHAARO C[C@@H](NC(=O)CN(C)[C@@H](C)c1ccc(F)cc1)c1cccs1 ZINC000012907266 563853156 /nfs/dbraw/zinc/85/31/56/563853156.db2.gz BQNAAVKGLGICED-OLZOCXBDSA-N 1 0 320.433 3.757 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000575608608 563865294 /nfs/dbraw/zinc/86/52/94/563865294.db2.gz ORLUAKQPPLQENK-ZBFHGGJFSA-N 1 0 312.413 3.508 50 0 DHAARO C[C@H](NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000229719990 563870782 /nfs/dbraw/zinc/87/07/82/563870782.db2.gz HWDWPMVATXPVRF-FXAWDEMLSA-N 1 0 322.452 3.743 50 0 DHAARO C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123475816 563875464 /nfs/dbraw/zinc/87/54/64/563875464.db2.gz WIVIAKIZNNRZAZ-WTIISPKJSA-N 1 0 305.340 3.802 50 0 DHAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123476491 563875619 /nfs/dbraw/zinc/87/56/19/563875619.db2.gz WIVIAKIZNNRZAZ-IKWCTNDRSA-N 1 0 305.340 3.802 50 0 DHAARO COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)CCS2 ZINC000191539685 563876726 /nfs/dbraw/zinc/87/67/26/563876726.db2.gz PQWJKURQAPWBOT-MQIPJXDCSA-N 1 0 307.459 3.778 50 0 DHAARO C[NH+](C)CCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000001771426 563878011 /nfs/dbraw/zinc/87/80/11/563878011.db2.gz NVQQPFHYIOOQAG-UHFFFAOYSA-N 1 0 306.413 3.660 50 0 DHAARO O[C@@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029827578 563878259 /nfs/dbraw/zinc/87/82/59/563878259.db2.gz SIQVXMWPENGURW-AEFFLSMTSA-N 1 0 322.408 3.741 50 0 DHAARO Oc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000244858533 563881404 /nfs/dbraw/zinc/88/14/04/563881404.db2.gz VMXHNZZITIRHFY-WOJBJXKFSA-N 1 0 314.473 3.621 50 0 DHAARO CCc1cnccc1NC(=O)c1c(C)oc(C)c1Br ZINC000075612031 563885069 /nfs/dbraw/zinc/88/50/69/563885069.db2.gz SBIXJSHHMUPKJQ-UHFFFAOYSA-N 1 0 323.190 3.869 50 0 DHAARO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036095497 563892777 /nfs/dbraw/zinc/89/27/77/563892777.db2.gz PKXORFZZAUACAD-LJQANCHMSA-N 1 0 301.405 3.641 50 0 DHAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCC(C)C ZINC000036097437 563892968 /nfs/dbraw/zinc/89/29/68/563892968.db2.gz PHSFPAWNXAFFBZ-LJQANCHMSA-N 1 0 307.478 3.549 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036098777 563893902 /nfs/dbraw/zinc/89/39/02/563893902.db2.gz OMLYMEYLHPAWCN-AEFFLSMTSA-N 1 0 307.478 3.772 50 0 DHAARO CCC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccccc1C ZINC000036096633 563893977 /nfs/dbraw/zinc/89/39/77/563893977.db2.gz UMDUNEVNZUQZRC-MRXNPFEDSA-N 1 0 319.470 3.708 50 0 DHAARO CCC(CC)[NH2+]C[C@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000006941028 563899972 /nfs/dbraw/zinc/89/99/72/563899972.db2.gz LKHPRSIVYNTDCO-HNNXBMFYSA-N 1 0 323.477 3.511 50 0 DHAARO CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000170070858 563903533 /nfs/dbraw/zinc/90/35/33/563903533.db2.gz FEELPSFIJDRPPC-XUVXKRRUSA-N 1 0 322.452 3.556 50 0 DHAARO CC[N@H+](CCCO[C@@H]1CCCCO1)[C@@H](C)c1cccc(O)c1 ZINC000170595554 563907174 /nfs/dbraw/zinc/90/71/74/563907174.db2.gz FIEPZQXAIFSRSQ-MAUKXSAKSA-N 1 0 307.434 3.708 50 0 DHAARO CCc1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000170614575 563908356 /nfs/dbraw/zinc/90/83/56/563908356.db2.gz IDCSVKOSOCNXGC-KRWDZBQOSA-N 1 0 316.470 3.620 50 0 DHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000076057426 563912147 /nfs/dbraw/zinc/91/21/47/563912147.db2.gz ZLHJIEDJGZYRTR-OXQOHEQNSA-N 1 0 324.468 3.822 50 0 DHAARO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000027205718 563915517 /nfs/dbraw/zinc/91/55/17/563915517.db2.gz LJHWMEFOWPATJQ-WOJBJXKFSA-N 1 0 323.436 3.855 50 0 DHAARO Clc1ccc2c(c1)C1=C(CO2)C(c2ccccc2)=[NH+]CCN1 ZINC000104748206 563924200 /nfs/dbraw/zinc/92/42/00/563924200.db2.gz VMFYDMBSIUFSOW-UHFFFAOYSA-N 1 0 310.784 3.536 50 0 DHAARO c1coc(C[NH2+]CCOCCOc2cccc3ccccc32)c1 ZINC000002281875 563924853 /nfs/dbraw/zinc/92/48/53/563924853.db2.gz YYMAXPRBEHMLCZ-UHFFFAOYSA-N 1 0 311.381 3.618 50 0 DHAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@@H]1CCCSC1 ZINC000584889745 563925506 /nfs/dbraw/zinc/92/55/06/563925506.db2.gz LKFISFSZMXVMES-GFCCVEGCSA-N 1 0 310.413 3.782 50 0 DHAARO CCOc1cc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)ccc1O ZINC000055028073 563926082 /nfs/dbraw/zinc/92/60/82/563926082.db2.gz UQNHPFXUEDWBHD-FQEVSTJZSA-N 1 0 320.392 3.774 50 0 DHAARO O=C(OCCC[NH+]1CCCC1)C1(c2ccccc2)CCCC1 ZINC000002397486 563927868 /nfs/dbraw/zinc/92/78/68/563927868.db2.gz QUHQDIBTGMUZLX-UHFFFAOYSA-N 1 0 301.430 3.528 50 0 DHAARO Cc1ccccc1[C@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000225444156 563928094 /nfs/dbraw/zinc/92/80/94/563928094.db2.gz WEABRRZHMVYCHS-RBUKOAKNSA-N 1 0 308.425 3.749 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@H](C)C1 ZINC000078897258 563930003 /nfs/dbraw/zinc/93/00/03/563930003.db2.gz HAHCEVPNUPPUID-CJNGLKHVSA-N 1 0 316.470 3.638 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@H](C)C1 ZINC000078897263 563930071 /nfs/dbraw/zinc/93/00/71/563930071.db2.gz HAHCEVPNUPPUID-CZUORRHYSA-N 1 0 316.470 3.638 50 0 DHAARO CC(C)[N@H+](Cc1csc(-c2ccsc2)n1)CC(C)(C)O ZINC000079109266 563930228 /nfs/dbraw/zinc/93/02/28/563930228.db2.gz QBVMUTQJNXRVGY-UHFFFAOYSA-N 1 0 310.488 3.853 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079502653 563930523 /nfs/dbraw/zinc/93/05/23/563930523.db2.gz WARUNTAAGKKNGY-GOSISDBHSA-N 1 0 314.429 3.515 50 0 DHAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000095939078 563931966 /nfs/dbraw/zinc/93/19/66/563931966.db2.gz URDKRSKXTKIGJA-MSOLQXFVSA-N 1 0 324.468 3.874 50 0 DHAARO CSC[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000095960794 563932472 /nfs/dbraw/zinc/93/24/72/563932472.db2.gz IUXIYJSVSAAZRJ-NSHDSACASA-N 1 0 318.255 3.773 50 0 DHAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c2ccccc12 ZINC000095968452 563933151 /nfs/dbraw/zinc/93/31/51/563933151.db2.gz RXBGKKFICYEPCW-UONOGXRCSA-N 1 0 309.413 3.994 50 0 DHAARO CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(C[NH3+])cc1 ZINC000095971097 563933487 /nfs/dbraw/zinc/93/34/87/563933487.db2.gz HTKUHHAOLKNZTE-UHFFFAOYSA-N 1 0 308.425 3.646 50 0 DHAARO CCC[C@@H](C[NH+]1CCC(c2nncn2C)CC1)c1ccccc1 ZINC000095986580 563934117 /nfs/dbraw/zinc/93/41/17/563934117.db2.gz SSCANUJBKVJHHZ-SFHVURJKSA-N 1 0 312.461 3.578 50 0 DHAARO COc1cccc2cc([C@@H](C)[NH2+]C[C@@](C)(O)c3ccco3)oc21 ZINC000095987953 563934133 /nfs/dbraw/zinc/93/41/33/563934133.db2.gz YJFMIKGXJIVNPK-KZULUSFZSA-N 1 0 315.369 3.593 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000095988000 563934171 /nfs/dbraw/zinc/93/41/71/563934171.db2.gz YVEDMSPDDWZJFT-FZMZJTMJSA-N 1 0 320.820 3.748 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000095988003 563934177 /nfs/dbraw/zinc/93/41/77/563934177.db2.gz YVEDMSPDDWZJFT-BXUZGUMPSA-N 1 0 320.820 3.748 50 0 DHAARO Cc1cnc([C@@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000096003611 563934723 /nfs/dbraw/zinc/93/47/23/563934723.db2.gz QHFJXWAANOXMLX-WBVHZDCISA-N 1 0 313.445 3.687 50 0 DHAARO Fc1ccc([C@H](Cn2ccnc2)[NH2+]Cc2ccsc2)cc1 ZINC000096013569 563934968 /nfs/dbraw/zinc/93/49/68/563934968.db2.gz PFRQRRKBTIMSBZ-INIZCTEOSA-N 1 0 301.390 3.615 50 0 DHAARO C[NH+]1CCC(OC(=O)[C@H](c2cccs2)[C@@H]2C=CCCC2)CC1 ZINC000096028038 563935285 /nfs/dbraw/zinc/93/52/85/563935285.db2.gz TUYPAMBSJBATIZ-PBHICJAKSA-N 1 0 319.470 3.825 50 0 DHAARO CSc1cccc(NC(=O)N(C)CCC[NH+]2CCCC2)c1C ZINC000281964337 563935829 /nfs/dbraw/zinc/93/58/29/563935829.db2.gz NJAHKBLYEZIEMA-UHFFFAOYSA-N 1 0 321.490 3.667 50 0 DHAARO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000096479273 563937369 /nfs/dbraw/zinc/93/73/69/563937369.db2.gz ZULMEJBMFFLHSK-CZUORRHYSA-N 1 0 321.490 3.763 50 0 DHAARO CS[C@H]1CC[C@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000096494369 563937503 /nfs/dbraw/zinc/93/75/03/563937503.db2.gz KZVRWVVVBBOMBH-RYUDHWBXSA-N 1 0 307.488 3.647 50 0 DHAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(F)ccc2C)o1 ZINC000055544498 563938452 /nfs/dbraw/zinc/93/84/52/563938452.db2.gz CUAOISFVRIDHMD-UHFFFAOYSA-N 1 0 304.365 3.821 50 0 DHAARO Cc1cc(C)n(C[C@@H](C)[N@H+](C)Cc2cc3cc(F)ccc3[nH]2)n1 ZINC000670441442 563943968 /nfs/dbraw/zinc/94/39/68/563943968.db2.gz ILRSIOCRZCJRAH-CQSZACIVSA-N 1 0 314.408 3.641 50 0 DHAARO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229314032 563945079 /nfs/dbraw/zinc/94/50/79/563945079.db2.gz QZKKPRVLOMBTET-WCQYABFASA-N 1 0 324.350 3.764 50 0 DHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000008002831 563946172 /nfs/dbraw/zinc/94/61/72/563946172.db2.gz BOCZOUPLVKMVDZ-GOSISDBHSA-N 1 0 318.367 3.890 50 0 DHAARO Fc1ccc([C@@H]2CC[N@H+](Cc3cnc(-c4ccco4)nc3)C2)cc1 ZINC000670469501 563947030 /nfs/dbraw/zinc/94/70/30/563947030.db2.gz HYCBORNZYIGHBQ-MRXNPFEDSA-N 1 0 323.371 3.865 50 0 DHAARO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(F)cc1 ZINC000066970179 563948323 /nfs/dbraw/zinc/94/83/23/563948323.db2.gz HUYLHTWBGCRVCO-HNNXBMFYSA-N 1 0 314.404 3.513 50 0 DHAARO C(=C/c1ccccc1)\CN1CC[NH+](CCc2cccs2)CC1 ZINC000067458883 563949399 /nfs/dbraw/zinc/94/93/99/563949399.db2.gz MWNYNQFMFUEBOU-XBXARRHUSA-N 1 0 312.482 3.622 50 0 DHAARO CCN(CC)c1ccc2[nH]c(C)c(C[NH+](CC)CC)c(=O)c2c1 ZINC000008717355 563950189 /nfs/dbraw/zinc/95/01/89/563950189.db2.gz KZPDPACLHZLDIM-UHFFFAOYSA-N 1 0 315.461 3.937 50 0 DHAARO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@H](C)n1cccn1 ZINC000069372170 563952595 /nfs/dbraw/zinc/95/25/95/563952595.db2.gz HVPSQQNRKUYCPR-KGLIPLIRSA-N 1 0 312.442 3.746 50 0 DHAARO C[C@H]([C@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1)n1cccn1 ZINC000069372152 563952597 /nfs/dbraw/zinc/95/25/97/563952597.db2.gz HVPSQQNRKUYCPR-UONOGXRCSA-N 1 0 312.442 3.746 50 0 DHAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)s1)[C@@H](C)n1cccn1 ZINC000069418066 563952765 /nfs/dbraw/zinc/95/27/65/563952765.db2.gz ZLZVEJZFASRVEB-ZIAGYGMSSA-N 1 0 312.442 3.746 50 0 DHAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cc(-c3cccs3)on2)c1 ZINC000069652049 563953929 /nfs/dbraw/zinc/95/39/29/563953929.db2.gz DIRLBZVDSBBGDA-QWHCGFSZSA-N 1 0 316.430 3.647 50 0 DHAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(O)c2)cnn1-c1ccccc1 ZINC000069848773 563954976 /nfs/dbraw/zinc/95/49/76/563954976.db2.gz OVIPCKJXWQEBBU-CQSZACIVSA-N 1 0 307.397 3.737 50 0 DHAARO C[C@@H](NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000069897099 563955095 /nfs/dbraw/zinc/95/50/95/563955095.db2.gz HWDWPMVATXPVRF-XLIONFOSSA-N 1 0 322.452 3.743 50 0 DHAARO CC(C)[NH+]1CCC(Nc2ncnc3c4ccccc4oc32)CC1 ZINC000009428768 563956056 /nfs/dbraw/zinc/95/60/56/563956056.db2.gz FMPVQSNUSVVLIE-UHFFFAOYSA-N 1 0 310.401 3.661 50 0 DHAARO c1csc(-c2nc(CN3CCO[C@H]4CCCC[C@@H]43)co2)c1 ZINC000071810981 563958811 /nfs/dbraw/zinc/95/88/11/563958811.db2.gz FSQVYMGPENJHLL-KBPBESRZSA-N 1 0 304.415 3.547 50 0 DHAARO CNc1nc(C)c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)s1 ZINC000426719785 563959898 /nfs/dbraw/zinc/95/98/98/563959898.db2.gz CPOCUVHDHDZTDM-CYBMUJFWSA-N 1 0 301.459 4.317 50 0 DHAARO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000097086146 1015061444 /nfs/dbraw/zinc/06/14/44/1015061444.db2.gz CDILGGYSDIBFRO-WBVHZDCISA-N 1 0 302.462 3.671 50 0 DHAARO COc1ccc(CC[N@H+](C)Cc2cc(C)ccc2C)cc1OC ZINC000004949016 1012178098 /nfs/dbraw/zinc/17/80/98/1012178098.db2.gz KTHXLNNKXFZCCJ-UHFFFAOYSA-N 1 0 313.441 3.995 50 0 DHAARO CCCN1C[C@H]([NH2+]Cc2cccc3c4ccccc4oc32)CC1=O ZINC000952963865 1032671368 /nfs/dbraw/zinc/67/13/68/1032671368.db2.gz LIUBHXKTZVSBPN-OAHLLOKOSA-N 1 0 322.408 3.687 50 0 DHAARO CN(Cc1[nH]c2ccccc2c1Cl)C[C@@]1(C)CC[N@H+](C)C1 ZINC000952978198 1032679412 /nfs/dbraw/zinc/67/94/12/1032679412.db2.gz PMQHPPMYIBYJBB-KRWDZBQOSA-N 1 0 305.853 3.595 50 0 DHAARO CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc(C)c(F)c3F)C2)C1 ZINC000952983644 1032683078 /nfs/dbraw/zinc/68/30/78/1032683078.db2.gz UMFZOBCHHIOCPD-LJQANCHMSA-N 1 0 322.443 3.971 50 0 DHAARO Cn1ccc2ccc(CN3CCC[N@@H+](C4CCCC4)CC3)cc21 ZINC000952990192 1032684361 /nfs/dbraw/zinc/68/43/61/1032684361.db2.gz GZCMFUPTNYJNHC-UHFFFAOYSA-N 1 0 311.473 3.629 50 0 DHAARO Cc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000011813940 1019262241 /nfs/dbraw/zinc/26/22/41/1019262241.db2.gz KRWJCRWFGSXLTK-IBGZPJMESA-N 1 0 317.404 3.544 50 0 DHAARO Cc1ccccc1N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000061705665 1019301088 /nfs/dbraw/zinc/30/10/88/1019301088.db2.gz YQZHTUZDSCIWGT-UHFFFAOYSA-N 1 0 305.425 3.799 50 0 DHAARO Cc1cc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)[nH]n1 ZINC000011935293 1019584665 /nfs/dbraw/zinc/58/46/65/1019584665.db2.gz JRGIEGGZGXBBRI-OAHLLOKOSA-N 1 0 301.409 3.702 50 0 DHAARO COc1ccc([C@H](C)C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528740754 1020347547 /nfs/dbraw/zinc/34/75/47/1020347547.db2.gz IIFKMLGXZYUIGP-CQSZACIVSA-N 1 0 323.440 3.524 50 0 DHAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023280739 1020472315 /nfs/dbraw/zinc/47/23/15/1020472315.db2.gz JPXWTDOUGVVMTG-UPJWGTAASA-N 1 0 301.352 3.746 50 0 DHAARO COc1ccc2[nH]c(C[NH2+][C@H]3CCN(c4ccccc4)C3)cc2c1 ZINC000824758396 1020581147 /nfs/dbraw/zinc/58/11/47/1020581147.db2.gz AKQRTSQSDIWNFB-INIZCTEOSA-N 1 0 321.424 3.545 50 0 DHAARO Cc1ccc2c(cc(C[N@H+]3Cc4ccccc4[C@@H](O)C3)n2C)c1 ZINC000825206790 1020633356 /nfs/dbraw/zinc/63/33/56/1020633356.db2.gz JSJOLINPBNPFTI-FQEVSTJZSA-N 1 0 306.409 3.536 50 0 DHAARO Fc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000826621358 1020717798 /nfs/dbraw/zinc/71/77/98/1020717798.db2.gz MAFRLIICVFDBGL-GOSISDBHSA-N 1 0 322.387 3.948 50 0 DHAARO Cc1ccc(F)cc1CNC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000827801740 1020797170 /nfs/dbraw/zinc/79/71/70/1020797170.db2.gz BSXKAZBZENYZJQ-UHFFFAOYSA-N 1 0 320.452 3.697 50 0 DHAARO Cc1cnc(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1C(C)C ZINC000575554304 1020977351 /nfs/dbraw/zinc/97/73/51/1020977351.db2.gz GPDJPBUANPSZFT-KRWDZBQOSA-N 1 0 312.461 3.622 50 0 DHAARO CC[NH2+]Cc1cc(-c2ccc(Br)cc2Cl)n[nH]1 ZINC000168312610 1021484391 /nfs/dbraw/zinc/48/43/91/1021484391.db2.gz BEYMKRAMHPDKAI-UHFFFAOYSA-N 1 0 314.614 3.602 50 0 DHAARO Clc1ccc(-c2noc(CCC[NH+]3CCCCC3)n2)cc1 ZINC000019794817 1021775089 /nfs/dbraw/zinc/77/50/89/1021775089.db2.gz YJKFFWRUAIOFQY-UHFFFAOYSA-N 1 0 305.809 3.809 50 0 DHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC000581788137 1021836765 /nfs/dbraw/zinc/83/67/65/1021836765.db2.gz UNHHFCZLUHSVGX-MRXNPFEDSA-N 1 0 320.502 3.722 50 0 DHAARO c1ccc(OCC[C@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000257174627 1022179069 /nfs/dbraw/zinc/17/90/69/1022179069.db2.gz IZIKFXYFLCSDOV-QGZVFWFLSA-N 1 0 323.436 3.913 50 0 DHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000257177766 1022188884 /nfs/dbraw/zinc/18/88/84/1022188884.db2.gz BIMQWRYLEHYBKK-IBGZPJMESA-N 1 0 320.521 3.927 50 0 DHAARO CSc1cccc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c1 ZINC000215691499 1024526110 /nfs/dbraw/zinc/52/61/10/1024526110.db2.gz OWKSFQCNRCJUKJ-UHFFFAOYSA-N 1 0 317.458 3.555 50 0 DHAARO c1cc2c(cccc2C[NH+]2CCC(OCc3cccnc3)CC2)[nH]1 ZINC000215980631 1024527598 /nfs/dbraw/zinc/52/75/98/1024527598.db2.gz JVWHXXZFAUPILM-UHFFFAOYSA-N 1 0 321.424 3.744 50 0 DHAARO OCC[C@H]1CCCCC[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000342836133 1024731788 /nfs/dbraw/zinc/73/17/88/1024731788.db2.gz HFPKILDRTPJQBG-CYBMUJFWSA-N 1 0 317.351 3.554 50 0 DHAARO Cc1cc(C)cc(C(O)(c2cc(C)cc(C)c2)[C@@H]2CCC[NH2+]2)c1 ZINC000034370681 1025380502 /nfs/dbraw/zinc/38/05/02/1025380502.db2.gz MXIOBZPVLNQGIU-FQEVSTJZSA-N 1 0 309.453 3.908 50 0 DHAARO COc1ccccc1C1CC[NH+](CCc2csc(C)n2)CC1 ZINC000252500806 1026157830 /nfs/dbraw/zinc/15/78/30/1026157830.db2.gz TVQFHUZHTXUDTB-UHFFFAOYSA-N 1 0 316.470 3.882 50 0 DHAARO CCc1cccc(CC)c1[C@@H](OCC[NH+](C)C)c1ccncc1 ZINC000252490476 1026158420 /nfs/dbraw/zinc/15/84/20/1026158420.db2.gz KUPYKINGXANIRA-FQEVSTJZSA-N 1 0 312.457 3.874 50 0 DHAARO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccncc1Cl ZINC000421805257 1027052674 /nfs/dbraw/zinc/05/26/74/1027052674.db2.gz WJJHOLNCIQZDAD-BBRMVZONSA-N 1 0 319.836 3.816 50 0 DHAARO OCC[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)c1ccccc1 ZINC000863983402 1028156094 /nfs/dbraw/zinc/15/60/94/1028156094.db2.gz GYXDNUIXIDWRSI-SBHAEUEKSA-N 1 0 324.468 3.549 50 0 DHAARO CCC[C@]1(CO)CC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000585083940 1029636809 /nfs/dbraw/zinc/63/68/09/1029636809.db2.gz PIPRHKGSFOJZBF-SFHVURJKSA-N 1 0 316.470 3.795 50 0 DHAARO COc1ccc(F)c(CN[C@H]2CCCc3cnn(C(C)C)c32)c1 ZINC000585085839 1029684255 /nfs/dbraw/zinc/68/42/55/1029684255.db2.gz DLRQQNUPTQIXQD-KRWDZBQOSA-N 1 0 317.408 3.779 50 0 DHAARO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc2nccn21 ZINC000809783488 1033714791 /nfs/dbraw/zinc/71/47/91/1033714791.db2.gz FAZYLCVLVFLPAY-SFHVURJKSA-N 1 0 309.413 3.926 50 0 DHAARO O=C(c1cccc2ccccc21)N1CCC[N@@H+](C2CCC2)CC1 ZINC000828176581 1034446232 /nfs/dbraw/zinc/44/62/32/1034446232.db2.gz VMABACFPRWZPGU-UHFFFAOYSA-N 1 0 308.425 3.540 50 0 DHAARO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CCC(C)CC2)c1C ZINC000007058910 1035281309 /nfs/dbraw/zinc/28/13/09/1035281309.db2.gz GZLIWOLYPLEXFD-SYGMWZTRSA-N 1 0 305.462 3.520 50 0 DHAARO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000850475569 1037962579 /nfs/dbraw/zinc/96/25/79/1037962579.db2.gz ACQJIUBQAUOUBA-ZJNRKIDTSA-N 1 0 320.383 3.966 50 0 DHAARO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000328591761 231233711 /nfs/dbraw/zinc/23/37/11/231233711.db2.gz GCYGBLKMPRUWIV-STXHMFSFSA-N 1 0 321.424 3.913 50 0 DHAARO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000090220867 185287138 /nfs/dbraw/zinc/28/71/38/185287138.db2.gz PUGUABGYFUOGDQ-FOIQADDNSA-N 1 0 305.468 3.653 50 0 DHAARO Cc1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000095405109 185355656 /nfs/dbraw/zinc/35/56/56/185355656.db2.gz AVBKAYDJQCFQQT-RTWAWAEBSA-N 1 0 318.420 3.803 50 0 DHAARO CCCn1nc(C)c(C[NH2+]Cc2ccc(C)cc2N(C)C)c1C ZINC000095414147 185358382 /nfs/dbraw/zinc/35/83/82/185358382.db2.gz DERIQYYPMDCAQK-UHFFFAOYSA-N 1 0 314.477 3.574 50 0 DHAARO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000095419172 185359889 /nfs/dbraw/zinc/35/98/89/185359889.db2.gz FWNXXRRWMUETGI-QVKFZJNVSA-N 1 0 301.455 3.707 50 0 DHAARO C[C@H](CCn1cncn1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000095421075 185360424 /nfs/dbraw/zinc/36/04/24/185360424.db2.gz IRRGBWPQHMTZHE-RISCZKNCSA-N 1 0 322.865 3.537 50 0 DHAARO C[C@@H](NC1(C[NH2+]C2CCCCC2)CCOCC1)c1ccccc1 ZINC000097009625 185396569 /nfs/dbraw/zinc/39/65/69/185396569.db2.gz ZYVIEFXRZPDWSR-QGZVFWFLSA-N 1 0 316.489 3.809 50 0 DHAARO C[C@H](NC1(C[NH2+]C2CCCCC2)CCOCC1)c1ccccc1 ZINC000097009623 185396695 /nfs/dbraw/zinc/39/66/95/185396695.db2.gz ZYVIEFXRZPDWSR-KRWDZBQOSA-N 1 0 316.489 3.809 50 0 DHAARO C[C@@H](Cc1ccsc1)[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000095421847 185360855 /nfs/dbraw/zinc/36/08/55/185360855.db2.gz OJIAIZNLXJXFOR-LBPRGKRZSA-N 1 0 321.417 3.517 50 0 DHAARO C[C@@H]([NH2+]CCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2 ZINC000095451050 185368962 /nfs/dbraw/zinc/36/89/62/185368962.db2.gz KUTJZVFQMVZUKS-SNVBAGLBSA-N 1 0 319.499 3.859 50 0 DHAARO CCNC(=O)N1CCC([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000095462776 185371184 /nfs/dbraw/zinc/37/11/84/185371184.db2.gz DOQCOFOJZZPCAS-KRWDZBQOSA-N 1 0 317.477 3.557 50 0 DHAARO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000097032915 185399611 /nfs/dbraw/zinc/39/96/11/185399611.db2.gz AOYHLFHFBYGRBL-YWVKMMECSA-N 1 0 303.233 3.794 50 0 DHAARO Cc1ccccc1COC1CC[NH+](Cc2cncs2)CC1 ZINC000097050913 185403904 /nfs/dbraw/zinc/40/39/04/185403904.db2.gz KPMHXJIPOCZYQY-UHFFFAOYSA-N 1 0 302.443 3.633 50 0 DHAARO Cc1cc2c(c(-c3ccc4cc(O)ccc4c3)c1)O[C@H](C[NH3+])C2 ZINC000067673448 190714402 /nfs/dbraw/zinc/71/44/02/190714402.db2.gz DWHBPPQWFZZQEM-SFHVURJKSA-N 1 0 305.377 3.783 50 0 DHAARO Cc1cc(C)cc(N2CCC([NH+]3CC(c4ccncc4)C3)CC2)c1 ZINC000072127407 191043408 /nfs/dbraw/zinc/04/34/08/191043408.db2.gz GDUGGLULEMMKQK-UHFFFAOYSA-N 1 0 321.468 3.767 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000072144417 191051205 /nfs/dbraw/zinc/05/12/05/191051205.db2.gz QCJIDZPRVXEAGG-KRWDZBQOSA-N 1 0 314.429 3.984 50 0 DHAARO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000072147501 191052919 /nfs/dbraw/zinc/05/29/19/191052919.db2.gz BPQDEHMQASKPSW-SFHVURJKSA-N 1 0 310.397 3.595 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2c(F)ccc(F)c2Cl)C1 ZINC000072152290 191057120 /nfs/dbraw/zinc/05/71/20/191057120.db2.gz QTJHZDQUORXGKE-NSHDSACASA-N 1 0 314.807 3.677 50 0 DHAARO O=C(Nc1cccc2cccnc21)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072138676 191048513 /nfs/dbraw/zinc/04/85/13/191048513.db2.gz RLCKRGWLCQAHQV-HNNXBMFYSA-N 1 0 317.392 3.564 50 0 DHAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cscn2)c1 ZINC000072164810 191064919 /nfs/dbraw/zinc/06/49/19/191064919.db2.gz RQTOQDHIMOAJMY-INIZCTEOSA-N 1 0 302.443 3.836 50 0 DHAARO COc1ccccc1OC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000072169459 191068282 /nfs/dbraw/zinc/06/82/82/191068282.db2.gz WPQUUOHRNYHTSZ-UHFFFAOYSA-N 1 0 301.386 3.640 50 0 DHAARO Brc1ccc(C2([NH2+]Cc3ccncc3)CC2)cc1 ZINC000072235923 191080140 /nfs/dbraw/zinc/08/01/40/191080140.db2.gz OOAXUIMKTXHZIW-UHFFFAOYSA-N 1 0 303.203 3.623 50 0 DHAARO CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000225602362 186282175 /nfs/dbraw/zinc/28/21/75/186282175.db2.gz KDSREIMCEKWOEM-WOJBJXKFSA-N 1 0 322.452 3.629 50 0 DHAARO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000237489247 186296798 /nfs/dbraw/zinc/29/67/98/186296798.db2.gz CFUFKZZOSMBOBD-KDOFPFPSSA-N 1 0 318.436 3.515 50 0 DHAARO OCC[NH2+][C@@H]1CCCc2c3cc(-c4ccccc4)ccc3[nH]c21 ZINC000001820907 180897720 /nfs/dbraw/zinc/89/77/20/180897720.db2.gz RXIUMAOXORBRCY-LJQANCHMSA-N 1 0 306.409 3.794 50 0 in-vitro DHAARO CC(C)c1cccc(OCCOCC[NH+]2CCC(C)CC2)c1 ZINC000002957515 180971779 /nfs/dbraw/zinc/97/17/79/180971779.db2.gz ZAHRMPXTRVSBKN-UHFFFAOYSA-N 1 0 305.462 3.937 50 0 DHAARO CC[NH+](CC)C[C@H](C)OC(=O)c1ccc(Cl)cc1Cl ZINC000003314861 181003353 /nfs/dbraw/zinc/00/33/53/181003353.db2.gz CRWRAGHIALXDSJ-JTQLQIEISA-N 1 0 304.217 3.881 50 0 DHAARO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCCC1 ZINC000003491083 181026446 /nfs/dbraw/zinc/02/64/46/181026446.db2.gz FRAVPKGKOUNVSD-INIZCTEOSA-N 1 0 324.424 3.688 50 0 DHAARO O[C@H](C[NH2+]C1CCCC1)Cn1c2ccccc2c2ccccc21 ZINC000004189340 181083283 /nfs/dbraw/zinc/08/32/83/181083283.db2.gz UIWHEXAVANZGHK-MRXNPFEDSA-N 1 0 308.425 3.688 50 0 DHAARO CCOc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1OC ZINC000004207204 181085266 /nfs/dbraw/zinc/08/52/66/181085266.db2.gz QUPDYGZDDZXIRU-HNNXBMFYSA-N 1 0 310.397 3.666 50 0 DHAARO Cc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000004524503 181120094 /nfs/dbraw/zinc/12/00/94/181120094.db2.gz CMQKORYZVNPMIX-AZUAARDMSA-N 1 0 320.436 3.752 50 0 DHAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCCCC1 ZINC000004746167 181146553 /nfs/dbraw/zinc/14/65/53/181146553.db2.gz YTTDGPNIVAPBFP-MRXNPFEDSA-N 1 0 320.864 3.565 50 0 DHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000004746277 181147092 /nfs/dbraw/zinc/14/70/92/181147092.db2.gz XVNNKHSGNCZNIR-LJQANCHMSA-N 1 0 314.473 3.610 50 0 DHAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000004833564 181159476 /nfs/dbraw/zinc/15/94/76/181159476.db2.gz DQZLPBBLYGATJO-QGZVFWFLSA-N 1 0 319.489 3.719 50 0 DHAARO CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000004862831 181165241 /nfs/dbraw/zinc/16/52/41/181165241.db2.gz IUQYLYYXKZJRJM-IGKNDFSCSA-N 1 0 307.478 3.676 50 0 DHAARO C[C@@H](O)C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004942874 181176969 /nfs/dbraw/zinc/17/69/69/181176969.db2.gz TUKUPVBGGWDOSX-SECBINFHSA-N 1 0 300.185 3.724 50 0 DHAARO [NH3+]CCCCCc1nnc(SCc2ccc(Cl)cc2)o1 ZINC000005046993 181195888 /nfs/dbraw/zinc/19/58/88/181195888.db2.gz QERPHWUWJRVGKQ-UHFFFAOYSA-N 1 0 311.838 3.687 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2cc(OC)ccc12 ZINC000005217321 181218495 /nfs/dbraw/zinc/21/84/95/181218495.db2.gz VTKIURCEIWAMDE-CYBMUJFWSA-N 1 0 300.402 3.624 50 0 DHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000237514650 202266521 /nfs/dbraw/zinc/26/65/21/202266521.db2.gz WNPSUPQBGBONHO-WDEREUQCSA-N 1 0 322.861 3.754 50 0 DHAARO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cccs1 ZINC000242147476 202471347 /nfs/dbraw/zinc/47/13/47/202471347.db2.gz WSEDRQJRUUTJDV-AWEZNQCLSA-N 1 0 310.850 3.646 50 0 DHAARO C[C@H]([NH2+]Cc1ccncc1)c1ccc(OCC2CC2)c(F)c1 ZINC000089904722 192902534 /nfs/dbraw/zinc/90/25/34/192902534.db2.gz BVQNEPSORXVCSO-ZDUSSCGKSA-N 1 0 300.377 3.860 50 0 DHAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000006305977 181327878 /nfs/dbraw/zinc/32/78/78/181327878.db2.gz BBYXDCLIDZIGCX-ZDUSSCGKSA-N 1 0 313.869 3.884 50 0 DHAARO O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCCCCCC1 ZINC000006583808 181356768 /nfs/dbraw/zinc/35/67/68/181356768.db2.gz RDVNDTFDPTYHQY-ICSRJNTNSA-N 1 0 317.473 3.708 50 0 DHAARO Cc1cc(C)n(CCC[NH2+]Cc2ccc(Cl)cc2Cl)n1 ZINC000006602070 181360035 /nfs/dbraw/zinc/36/00/35/181360035.db2.gz JRZORRBVSZRPBY-UHFFFAOYSA-N 1 0 312.244 3.987 50 0 DHAARO Cc1nn(C)c(C)c1C[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000006651090 181365458 /nfs/dbraw/zinc/36/54/58/181365458.db2.gz XLKCJVNRRJSAGV-UHFFFAOYSA-N 1 0 301.478 3.733 50 0 DHAARO CCC[NH+]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000006741234 181380537 /nfs/dbraw/zinc/38/05/37/181380537.db2.gz YNLGNWXXZCAKEF-UHFFFAOYSA-N 1 0 316.232 3.553 50 0 DHAARO CCn1ccnc1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000092077426 193153882 /nfs/dbraw/zinc/15/38/82/193153882.db2.gz NNOFIUJMUVHBEX-UHFFFAOYSA-N 1 0 303.837 3.936 50 0 DHAARO CC1CCC(OC[n+]2ccn(COCc3ccccc3)c2)CC1 ZINC000261492902 203073647 /nfs/dbraw/zinc/07/36/47/203073647.db2.gz MRFAYGYOVJYGJP-UHFFFAOYSA-N 1 0 315.437 3.503 50 0 DHAARO CS[C@H]1CCC[C@H]1[N@H+](C)Cc1ccccc1-n1cccn1 ZINC000093869419 193321208 /nfs/dbraw/zinc/32/12/08/193321208.db2.gz HQKWLGOITZYIKZ-SJORKVTESA-N 1 0 301.459 3.588 50 0 DHAARO COc1ccc([C@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000095352998 193427089 /nfs/dbraw/zinc/42/70/89/193427089.db2.gz CJOLNLGSLHEWGN-NVXWUHKLSA-N 1 0 303.427 3.531 50 0 DHAARO O=C(Nc1cccc(C(F)F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000095984760 193477316 /nfs/dbraw/zinc/47/73/16/193477316.db2.gz QGVNHAIOQJXKRM-ZDUSSCGKSA-N 1 0 323.387 3.574 50 0 DHAARO Cc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000007941572 181509269 /nfs/dbraw/zinc/50/92/69/181509269.db2.gz LJZITUPOPMUYRZ-UHFFFAOYSA-N 1 0 322.408 3.733 50 0 DHAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008278779 181543612 /nfs/dbraw/zinc/54/36/12/181543612.db2.gz VYKMWBWGIOWPSA-UHFFFAOYSA-N 1 0 322.452 3.959 50 0 DHAARO COc1ccc(CC[C@@H](C)[N@H+](CCO)Cc2ccccc2)cc1 ZINC000012383421 181755445 /nfs/dbraw/zinc/75/54/45/181755445.db2.gz GURHREYCFDPEIW-QGZVFWFLSA-N 1 0 313.441 3.511 50 0 DHAARO CSCCC[NH2+][C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000012745083 181792197 /nfs/dbraw/zinc/79/21/97/181792197.db2.gz YPYSDXHLMYEKJO-CYBMUJFWSA-N 1 0 321.515 3.608 50 0 DHAARO Fc1ccc(-c2c[n+](CCc3ccccc3)c3n2CCC3)cc1 ZINC000013787192 181896513 /nfs/dbraw/zinc/89/65/13/181896513.db2.gz XJASGQBSBOTLOV-UHFFFAOYSA-N 1 0 307.392 3.771 50 0 DHAARO CC[NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000014016145 181920361 /nfs/dbraw/zinc/92/03/61/181920361.db2.gz MRGYQWREQHUAOS-MRXNPFEDSA-N 1 0 318.804 3.638 50 0 DHAARO CCn1c(C)[n+](CC)c2c1c(F)c(F)c(C(F)(F)F)c2F ZINC000017147742 182077080 /nfs/dbraw/zinc/07/70/80/182077080.db2.gz CTLSLJMTFSGWNM-UHFFFAOYSA-N 1 0 311.249 3.713 50 0 DHAARO CCOc1cc(C[NH2+]CCc2cccc(F)c2)ccc1OC ZINC000019721061 182138642 /nfs/dbraw/zinc/13/86/42/182138642.db2.gz HPPBMTGPGGCUEP-UHFFFAOYSA-N 1 0 303.377 3.565 50 0 DHAARO C[NH2+]CCCOc1ccccc1-c1cccc(-c2cc[nH]n2)c1 ZINC000019595296 182133066 /nfs/dbraw/zinc/13/30/66/182133066.db2.gz BKHYQJRHGDZDGE-UHFFFAOYSA-N 1 0 307.397 3.732 50 0 DHAARO COc1ccccc1/C=C/CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019635022 182134239 /nfs/dbraw/zinc/13/42/39/182134239.db2.gz ASTJHGLUAAEZIA-YRNVUSSQSA-N 1 0 322.452 3.526 50 0 DHAARO Cc1ccc(OCCCC[NH+]2CCOCC2)c(C(C)(C)C)c1 ZINC000019770571 182144626 /nfs/dbraw/zinc/14/46/26/182144626.db2.gz AEDFUGHBZIKVSN-UHFFFAOYSA-N 1 0 305.462 3.784 50 0 DHAARO CC(C)CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019770293 182144780 /nfs/dbraw/zinc/14/47/80/182144780.db2.gz IRVYMBSRYYDPLD-UHFFFAOYSA-N 1 0 322.452 3.631 50 0 DHAARO CCc1cccc2c1Sc1ccccc1C[C@@H]2N1CC[NH2+]CC1 ZINC000019802446 182151813 /nfs/dbraw/zinc/15/18/13/182151813.db2.gz VRWXAWXVRQECLB-SFHVURJKSA-N 1 0 324.493 3.903 50 0 DHAARO O[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000019872555 182159217 /nfs/dbraw/zinc/15/92/17/182159217.db2.gz MVUURDWVSFYZHT-SFHVURJKSA-N 1 0 311.356 3.909 50 0 DHAARO CC(C)C[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC000020009727 182176897 /nfs/dbraw/zinc/17/68/97/182176897.db2.gz QDSUNGHXHVKRNA-AWEZNQCLSA-N 1 0 302.384 3.771 50 0 DHAARO CC[C@H](C)c1ccc(OCCCC[NH+]2CCN(C)CC2)cc1 ZINC000020118401 182189170 /nfs/dbraw/zinc/18/91/70/182189170.db2.gz LLFVWOBBQFDODP-KRWDZBQOSA-N 1 0 304.478 3.607 50 0 DHAARO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)c(OC)c1OC ZINC000020119799 182189291 /nfs/dbraw/zinc/18/92/91/182189291.db2.gz YTHRLEQWDPBLJG-UHFFFAOYSA-N 1 0 315.413 3.653 50 0 DHAARO CC(C)CC[C@H](CC[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000020519458 182226795 /nfs/dbraw/zinc/22/67/95/182226795.db2.gz SHROANCCKWVCHN-MRXNPFEDSA-N 1 0 319.445 3.657 50 0 DHAARO Clc1ccc(OCCC[NH2+]C2CC2)c(Br)c1 ZINC000020525315 182227142 /nfs/dbraw/zinc/22/71/42/182227142.db2.gz QTMKCDBXUDXXJL-UHFFFAOYSA-N 1 0 304.615 3.623 50 0 DHAARO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)ccc1O ZINC000021720612 182285921 /nfs/dbraw/zinc/28/59/21/182285921.db2.gz YPEPPKXQPCKHCA-OAHLLOKOSA-N 1 0 316.401 3.733 50 0 DHAARO CC(C)(C)OC(=O)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000022050368 182306147 /nfs/dbraw/zinc/30/61/47/182306147.db2.gz IWDFFHIOVOXFOW-IRXDYDNUSA-N 1 0 316.445 3.518 50 0 DHAARO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000022050373 182306297 /nfs/dbraw/zinc/30/62/97/182306297.db2.gz IWDFFHIOVOXFOW-SJORKVTESA-N 1 0 316.445 3.518 50 0 DHAARO CCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000022078717 182308090 /nfs/dbraw/zinc/30/80/90/182308090.db2.gz FVMXKUBHEQLGFD-QGZVFWFLSA-N 1 0 316.445 3.605 50 0 DHAARO CCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000022078834 182308628 /nfs/dbraw/zinc/30/86/28/182308628.db2.gz PWGKZFRCSNUVMF-WMLDXEAASA-N 1 0 316.445 3.603 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1)c1cccs1 ZINC000023105462 182347536 /nfs/dbraw/zinc/34/75/36/182347536.db2.gz OJQOZRRRPMTZOK-ZDUSSCGKSA-N 1 0 323.849 3.826 50 0 DHAARO COc1ccc(C[N@H+](C)Cc2cccc(Cl)c2)cc1OC ZINC000040161831 183042026 /nfs/dbraw/zinc/04/20/26/183042026.db2.gz OUXJVSFZIARBEY-UHFFFAOYSA-N 1 0 305.805 3.989 50 0 DHAARO C[C@@H](CNC(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000040095584 183034160 /nfs/dbraw/zinc/03/41/60/183034160.db2.gz NUMRBBIMQWTPNK-OLZOCXBDSA-N 1 0 309.841 3.582 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000042207311 183242421 /nfs/dbraw/zinc/24/24/21/183242421.db2.gz DFXSKRGTDMCXEU-ZFWWWQNUSA-N 1 0 314.351 3.856 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)c2ccccc12 ZINC000042227325 183244299 /nfs/dbraw/zinc/24/42/99/183244299.db2.gz YMWJMCAXZDOJKB-UHFFFAOYSA-N 1 0 321.424 3.599 50 0 DHAARO COc1ccc([C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c(OC)c1 ZINC000042926786 183319412 /nfs/dbraw/zinc/31/94/12/183319412.db2.gz LZANOVSWANCXJZ-ZDUSSCGKSA-N 1 0 317.433 3.506 50 0 DHAARO CC[C@@H](C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770394 183307222 /nfs/dbraw/zinc/30/72/22/183307222.db2.gz VNQGNGYCEHFOAQ-VXGBXAGGSA-N 1 0 312.251 3.951 50 0 DHAARO CCCc1cc(Br)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042774476 183308066 /nfs/dbraw/zinc/30/80/66/183308066.db2.gz DHKCJIKECTUIHD-GFCCVEGCSA-N 1 0 312.251 3.780 50 0 DHAARO c1coc(-c2noc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)n2)c1 ZINC000044088509 183394689 /nfs/dbraw/zinc/39/46/89/183394689.db2.gz RQKNZQRLWLKFDZ-OAHLLOKOSA-N 1 0 309.369 3.537 50 0 DHAARO C[C@@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc2ccccc2o1 ZINC000105765300 194124327 /nfs/dbraw/zinc/12/43/27/194124327.db2.gz GOERPSNRBVKGSI-QLFBSQMISA-N 1 0 314.429 3.588 50 0 DHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)CSc1ccc(C)cc1 ZINC000057157008 184028656 /nfs/dbraw/zinc/02/86/56/184028656.db2.gz CUTQXTQPARBDJG-MRXNPFEDSA-N 1 0 322.518 3.714 50 0 DHAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000057406010 184037339 /nfs/dbraw/zinc/03/73/39/184037339.db2.gz MQSSCFXUBRLKDJ-ZDUSSCGKSA-N 1 0 302.805 3.765 50 0 DHAARO CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000058086868 184074167 /nfs/dbraw/zinc/07/41/67/184074167.db2.gz IZNOMXSITZRZIS-MSOLQXFVSA-N 1 0 314.473 3.603 50 0 DHAARO CC[NH+](CC)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000058012578 184066432 /nfs/dbraw/zinc/06/64/32/184066432.db2.gz INMYCHCRTBDHOE-INIZCTEOSA-N 1 0 308.853 3.782 50 0 DHAARO C[C@@H]1CCC[N@@H+]([C@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000058012671 184066767 /nfs/dbraw/zinc/06/67/67/184066767.db2.gz ICHHZXDFTNZSLP-APWZRJJASA-N 1 0 314.473 3.909 50 0 DHAARO COc1cccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000058438564 184118512 /nfs/dbraw/zinc/11/85/12/184118512.db2.gz DVVYFMPZUMXWPX-UHFFFAOYSA-N 1 0 310.397 3.543 50 0 DHAARO C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 ZINC000065386693 184333706 /nfs/dbraw/zinc/33/37/06/184333706.db2.gz QTRLGIPKYKBXLP-SNVBAGLBSA-N 1 0 315.244 3.530 50 0 DHAARO Cc1ccc(-c2noc([C@H](C)[NH2+]C3CCSCC3)n2)cc1 ZINC000065381687 184331849 /nfs/dbraw/zinc/33/18/49/184331849.db2.gz QCTLNRACSIMZDO-LBPRGKRZSA-N 1 0 303.431 3.591 50 0 DHAARO CCC1=NO[C@H](C[NH2+]Cc2cnc(-c3ccccc3C)s2)C1 ZINC000065425204 184342801 /nfs/dbraw/zinc/34/28/01/184342801.db2.gz JAUMMOKSRNCGFH-AWEZNQCLSA-N 1 0 315.442 3.763 50 0 DHAARO O=C(CCC1CCCC1)NCC1=CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000065488248 184352871 /nfs/dbraw/zinc/35/28/71/184352871.db2.gz XWZVPHCHLNPISD-LJQANCHMSA-N 1 0 316.489 3.814 50 0 DHAARO CCn1c2ccccc2c2cc([C@H]3[NH2+]CCc4nc[nH]c43)ccc21 ZINC000065491565 184353905 /nfs/dbraw/zinc/35/39/05/184353905.db2.gz RHJVTYOEYJRKPM-LJQANCHMSA-N 1 0 316.408 3.773 50 0 DHAARO CC(=O)c1ccc(C[NH+]2CCC([C@H](O)CC(C)C)CC2)cc1 ZINC000065399188 184336359 /nfs/dbraw/zinc/33/63/59/184336359.db2.gz IBWMPMPAXOCAIY-LJQANCHMSA-N 1 0 303.446 3.508 50 0 DHAARO COc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000065553496 184365679 /nfs/dbraw/zinc/36/56/79/184365679.db2.gz OGDRVNUUYGJSEK-OAHLLOKOSA-N 1 0 324.424 3.673 50 0 DHAARO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H](O)c1ccc(O)cc1 ZINC000009591879 256524613 /nfs/dbraw/zinc/52/46/13/256524613.db2.gz UUHKXPRLUBBUFM-RDROQOGOSA-N 1 0 303.446 3.763 50 0 DHAARO COC1CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC000230387635 257239531 /nfs/dbraw/zinc/23/95/31/257239531.db2.gz CXYRNVXRDCJOPR-UHFFFAOYSA-N 1 0 318.280 3.600 50 0 DHAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cn2ccnc12 ZINC000426632938 257245236 /nfs/dbraw/zinc/24/52/36/257245236.db2.gz VIEVEJVNGUYYQI-MRXNPFEDSA-N 1 0 321.424 3.703 50 0 DHAARO Cc1nc2ccc(-c3ccc([C@@H](C)[NH+]4CCCC4)cc3)cn2n1 ZINC000426640517 257245440 /nfs/dbraw/zinc/24/54/40/257245440.db2.gz PKWVABPVEJYQMO-CQSZACIVSA-N 1 0 306.413 3.862 50 0 DHAARO Cc1coc2ccc(NC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)cc12 ZINC000274829717 130265439 /nfs/dbraw/zinc/26/54/39/130265439.db2.gz HDNXRHCQIQNQRL-ZDUSSCGKSA-N 1 0 313.401 3.513 50 0 DHAARO Cc1ccccc1Cc1noc(CN2CCCc3occc3C2)n1 ZINC000288926612 131345968 /nfs/dbraw/zinc/34/59/68/131345968.db2.gz VMQOULYJVAJPCW-UHFFFAOYSA-N 1 0 323.396 3.510 50 0 DHAARO Cc1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000000238006 134432708 /nfs/dbraw/zinc/43/27/08/134432708.db2.gz YFVRUSSYKPOITK-UHFFFAOYSA-N 1 0 300.833 3.971 50 0 DHAARO C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)c1ccsc1 ZINC000095420008 332170027 /nfs/dbraw/zinc/17/00/27/332170027.db2.gz KFHKSIOKKIIYEL-HNNXBMFYSA-N 1 0 311.454 3.886 50 0 DHAARO CC(C)c1ccc(CN(C(=O)c2coc(C[NH3+])c2)C2CC2)cc1 ZINC000187270429 332964981 /nfs/dbraw/zinc/96/49/81/332964981.db2.gz HVRTUOUNSXZGGF-UHFFFAOYSA-N 1 0 312.413 3.667 50 0 DHAARO COC[C@H](C)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000188329421 333044190 /nfs/dbraw/zinc/04/41/90/333044190.db2.gz CUDAYMFNSTZSBY-LLVKDONJSA-N 1 0 322.499 3.821 50 0 DHAARO FC(F)(F)COc1ccc(C[NH2+][C@H]2CCC23CCCC3)cn1 ZINC000189064455 333062750 /nfs/dbraw/zinc/06/27/50/333062750.db2.gz COXZLTSSLWJBEY-ZDUSSCGKSA-N 1 0 314.351 3.835 50 0 DHAARO C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c1cccnc1)C1CCCC1 ZINC000534629981 334305523 /nfs/dbraw/zinc/30/55/23/334305523.db2.gz KRHAZHJVPRBGGY-KRWDZBQOSA-N 1 0 317.477 3.550 50 0 DHAARO Clc1ccccc1-c1cc(C[NH2+][C@@H]2CCCSC2)no1 ZINC000534676924 334323474 /nfs/dbraw/zinc/32/34/74/334323474.db2.gz QUSJNMJXWRFBJL-LLVKDONJSA-N 1 0 308.834 3.980 50 0 DHAARO CC1(C)C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CO1 ZINC000417872441 335648276 /nfs/dbraw/zinc/64/82/76/335648276.db2.gz JKQZTULESNTAMA-OAHLLOKOSA-N 1 0 316.376 3.670 50 0 DHAARO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000097375265 337382758 /nfs/dbraw/zinc/38/27/58/337382758.db2.gz KSEISRPOBILHPF-OAHLLOKOSA-N 1 0 320.396 3.857 50 0 DHAARO CCO[C@H](C)c1nc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000119894655 337382914 /nfs/dbraw/zinc/38/29/14/337382914.db2.gz YPXWPPSSTROEPO-YPMHNXCESA-N 1 0 312.479 3.676 50 0 DHAARO CC(C)c1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000023750734 535371336 /nfs/dbraw/zinc/37/13/36/535371336.db2.gz XFZBADUNHVRDAB-UHFFFAOYSA-N 1 0 310.441 3.838 50 0 DHAARO CCC[C@]1(CO)CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000288727735 535768709 /nfs/dbraw/zinc/76/87/09/535768709.db2.gz GJKMUSILBBYLSV-INIZCTEOSA-N 1 0 322.499 3.856 50 0 DHAARO COc1ccccc1N1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000004981220 537068898 /nfs/dbraw/zinc/06/88/98/537068898.db2.gz LDLFDUWJSYEOBY-SFHVURJKSA-N 1 0 324.468 3.839 50 0 DHAARO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)C1CCCCC1)c1ccccc1 ZINC000108090039 563686629 /nfs/dbraw/zinc/68/66/29/563686629.db2.gz JZUWJAHQMDUHSO-OAGGEKHMSA-N 1 0 302.462 3.811 50 0 DHAARO Cc1cc(C)cc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000036847518 563904640 /nfs/dbraw/zinc/90/46/40/563904640.db2.gz SCSLOYNFQURBCX-HOTGVXAUSA-N 1 0 319.518 3.853 50 0 DHAARO Clc1cnc(NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)nc1 ZINC000670456179 563944912 /nfs/dbraw/zinc/94/49/12/563944912.db2.gz MWLMNLJLEJGNPL-HNNXBMFYSA-N 1 0 308.857 3.729 50 0 DHAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000008267748 563947283 /nfs/dbraw/zinc/94/72/83/563947283.db2.gz FYFVMLPYTYOCIF-UONOGXRCSA-N 1 0 306.837 3.791 50 0 DHAARO Cc1ccnc([C@H](NC2CC[NH+](CC(C)C)CC2)C2CC2)c1 ZINC000067641109 563487999 /nfs/dbraw/zinc/48/79/99/563487999.db2.gz RUBCXXZCBUTVBL-LJQANCHMSA-N 1 0 301.478 3.551 50 0 DHAARO C[NH+](C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1 ZINC000000000096 563211153 /nfs/dbraw/zinc/21/11/53/563211153.db2.gz ZDIGNSYAACHWNL-HNNXBMFYSA-N 1 0 319.246 3.928 50 0 fda DHAARO C[C@H]([C@H](C)[NH2+]Cc1csc(C2CCCC2)n1)n1cccn1 ZINC000071882055 563211533 /nfs/dbraw/zinc/21/15/33/563211533.db2.gz DQNWDYFYRREUEE-QWHCGFSZSA-N 1 0 304.463 3.737 50 0 DHAARO O=C(CN1CCCCC1)Nc1ccccc1Oc1ccccc1 ZINC000000153401 563225076 /nfs/dbraw/zinc/22/50/76/563225076.db2.gz IFOPSBBKUCWPSA-UHFFFAOYSA-N 1 0 310.397 3.903 50 0 DHAARO O=C(CCC[NH+]1CCc2ccccc2CC1)c1ccc(F)cc1 ZINC000000177749 563228014 /nfs/dbraw/zinc/22/80/14/563228014.db2.gz YMNLEQMLMXLPOU-UHFFFAOYSA-N 1 0 311.400 3.889 50 0 DHAARO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1Cl ZINC000000176533 563228180 /nfs/dbraw/zinc/22/81/80/563228180.db2.gz RLYCJSUWRBSMJZ-UHFFFAOYSA-N 1 0 314.816 3.727 50 0 DHAARO Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000239593 563232984 /nfs/dbraw/zinc/23/29/84/563232984.db2.gz HZMGFQCKYSOLJG-UHFFFAOYSA-N 1 0 300.833 3.971 50 0 DHAARO Cc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccccc2)cc1 ZINC000000263439 563234908 /nfs/dbraw/zinc/23/49/08/563234908.db2.gz XSHJASNUEYREHS-NRFANRHFSA-N 1 0 321.444 3.645 50 0 DHAARO C[C@@H]1C(c2cccs2)[N+](=O)[C@@](C)(c2ccc(Cl)cc2)N1O ZINC000000304803 563238402 /nfs/dbraw/zinc/23/84/02/563238402.db2.gz PNYRXTISNSZHDQ-BMIGLBTASA-N 1 0 322.817 3.667 50 0 DHAARO OC1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CCCSC2)CC1 ZINC000584902873 563297846 /nfs/dbraw/zinc/29/78/46/563297846.db2.gz ATHTYVWLJBFWPT-HNNXBMFYSA-N 1 0 311.878 3.519 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000002465915 563303774 /nfs/dbraw/zinc/30/37/74/563303774.db2.gz MSXPFGURNNALCW-LJQANCHMSA-N 1 0 300.490 3.958 50 0 DHAARO CCOC(=O)C[C@H]([NH3+])c1ccc(F)c(Oc2ccccc2)c1 ZINC000002553902 563309192 /nfs/dbraw/zinc/30/91/92/563309192.db2.gz BLSWWBILEDTHPM-HNNXBMFYSA-N 1 0 303.333 3.571 50 0 DHAARO COc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1OC ZINC000002898517 563317315 /nfs/dbraw/zinc/31/73/15/563317315.db2.gz GFMDHTAGOAOQNW-UHFFFAOYSA-N 1 0 310.397 3.517 50 0 DHAARO Cc1c2ccccc2sc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000004325357 563326917 /nfs/dbraw/zinc/32/69/17/563326917.db2.gz UOJYWJPTXJAVFE-UHFFFAOYSA-N 1 0 323.465 3.927 50 0 DHAARO COc1cccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000006667471 563333157 /nfs/dbraw/zinc/33/31/57/563333157.db2.gz DFPZHKCOGKTTJW-RMKNXTFCSA-N 1 0 308.425 3.531 50 0 DHAARO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C)cc1 ZINC000002647018 563337272 /nfs/dbraw/zinc/33/72/72/563337272.db2.gz IOUQTZSPYJKWDG-IBGZPJMESA-N 1 0 313.441 3.647 50 0 DHAARO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062797 563351554 /nfs/dbraw/zinc/35/15/54/563351554.db2.gz XKBQGBQSBJORKK-UHFFFAOYSA-N 1 0 312.388 3.676 50 0 DHAARO CCC[C@@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 ZINC000010436139 563356538 /nfs/dbraw/zinc/35/65/38/563356538.db2.gz DBENSXQUUYTFGK-QGZVFWFLSA-N 1 0 323.440 3.508 50 0 DHAARO CC(C)(CO)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010473855 563357744 /nfs/dbraw/zinc/35/77/44/563357744.db2.gz XZQCVCVDARWAMG-UHFFFAOYSA-N 1 0 319.832 3.780 50 0 DHAARO Cc1cc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)ccc1Cl ZINC000011847322 563359754 /nfs/dbraw/zinc/35/97/54/563359754.db2.gz HWEKXNATKPHZJB-RBSFLKMASA-N 1 0 311.853 3.651 50 0 DHAARO CSCCC[N@@H+]1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000011838250 563360198 /nfs/dbraw/zinc/36/01/98/563360198.db2.gz WEFFDNPZKFHSGQ-AWEZNQCLSA-N 1 0 311.878 3.988 50 0 DHAARO CC[C@H](C)C[NH+]1CCC2(C[C@H]2C(=O)Nc2cccc(F)c2)CC1 ZINC000012164220 563362878 /nfs/dbraw/zinc/36/28/78/563362878.db2.gz ANYJBAZROMFFPC-YOEHRIQHSA-N 1 0 318.436 3.912 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000012382533 563367701 /nfs/dbraw/zinc/36/77/01/563367701.db2.gz NWKJMNUISBBKIX-UHFFFAOYSA-N 1 0 315.244 3.596 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000012382494 563367792 /nfs/dbraw/zinc/36/77/92/563367792.db2.gz WMCBOPKFPKWTIX-UHFFFAOYSA-N 1 0 318.505 3.582 50 0 DHAARO Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000012703869 563372296 /nfs/dbraw/zinc/37/22/96/563372296.db2.gz ZZCROPYZVOOKJR-IBGZPJMESA-N 1 0 314.473 3.770 50 0 DHAARO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000032665099 563375601 /nfs/dbraw/zinc/37/56/01/563375601.db2.gz MSNKOFCRZPUSKV-YESZJQIVSA-N 1 0 300.446 3.834 50 0 DHAARO Cc1cc(N2CC[NH+](Cc3ccccc3C)CC2)nc(C(C)C)n1 ZINC000032717206 563382483 /nfs/dbraw/zinc/38/24/83/563382483.db2.gz ORCCDNVTAZCNJS-UHFFFAOYSA-N 1 0 324.472 3.539 50 0 DHAARO O=C(Nc1ccccc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000013735669 563388164 /nfs/dbraw/zinc/38/81/64/563388164.db2.gz YRGKJYVHQXGBGK-KRWDZBQOSA-N 1 0 301.434 3.559 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000032755354 563391343 /nfs/dbraw/zinc/39/13/43/563391343.db2.gz GSFSTPBMDAZBRL-PMACEKPBSA-N 1 0 322.452 3.526 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000014202088 563398214 /nfs/dbraw/zinc/39/82/14/563398214.db2.gz HFXCITHPWPIGGI-SOLBZPMBSA-N 1 0 313.441 3.557 50 0 DHAARO Brc1ccc2cc(OC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000014631298 563402382 /nfs/dbraw/zinc/40/23/82/563402382.db2.gz IQIPUZDCZQVKGC-GFCCVEGCSA-N 1 0 320.230 3.981 50 0 DHAARO COc1cccc(-c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)o2)c1 ZINC000015356867 563409611 /nfs/dbraw/zinc/40/96/11/563409611.db2.gz NGZWKWHCXZBCJL-LJQANCHMSA-N 1 0 323.392 3.778 50 0 DHAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000020855228 563417365 /nfs/dbraw/zinc/41/73/65/563417365.db2.gz IVENCIQHXQGCRS-HNNXBMFYSA-N 1 0 322.468 3.714 50 0 DHAARO Cc1nc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2[nH]1 ZINC000010896005 563419854 /nfs/dbraw/zinc/41/98/54/563419854.db2.gz FSHYKQHUNGMFRZ-UHFFFAOYSA-N 1 0 304.353 3.534 50 0 DHAARO Cc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027582111 563428536 /nfs/dbraw/zinc/42/85/36/563428536.db2.gz UAADRYPVYYEZSK-MRXNPFEDSA-N 1 0 314.454 3.623 50 0 DHAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCc2ccccc21 ZINC000029483169 563434261 /nfs/dbraw/zinc/43/42/61/563434261.db2.gz WWRKUHFXODCYFX-QGZVFWFLSA-N 1 0 314.816 3.898 50 0 DHAARO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)[C@H]1CCc2ccccc21 ZINC000029482579 563434524 /nfs/dbraw/zinc/43/45/24/563434524.db2.gz GVZIHFTYHDZGED-KRWDZBQOSA-N 1 0 316.351 3.523 50 0 DHAARO c1ccc2oc([C@@H]3CCC[N@@H+](CCc4ccncc4)C3)nc2c1 ZINC000029824831 563436251 /nfs/dbraw/zinc/43/62/51/563436251.db2.gz VLDDXDKGTNRGOK-MRXNPFEDSA-N 1 0 307.397 3.645 50 0 DHAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000070978572 563440437 /nfs/dbraw/zinc/44/04/37/563440437.db2.gz XNGVBLNVCRQEEM-KRWDZBQOSA-N 1 0 303.427 3.733 50 0 DHAARO CCN(CC)[C@H](C[NH2+]Cc1cccc(F)c1F)c1ccco1 ZINC000032603482 563443095 /nfs/dbraw/zinc/44/30/95/563443095.db2.gz OVJMKMFRBXBGQI-OAHLLOKOSA-N 1 0 308.372 3.731 50 0 DHAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCC(O)CC1 ZINC000000214117 563447027 /nfs/dbraw/zinc/44/70/27/563447027.db2.gz MCRQNXGPOIQXLV-QGLTVNCISA-N 1 0 301.352 3.530 50 0 DHAARO CCC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000033028948 563467955 /nfs/dbraw/zinc/46/79/55/563467955.db2.gz IHXACGYPPGLOPZ-PMACEKPBSA-N 1 0 324.468 3.989 50 0 DHAARO CCC[N@H+](Cc1cccnc1)Cc1cc(Cl)c(O)c(OC)c1 ZINC000055089327 563470754 /nfs/dbraw/zinc/47/07/54/563470754.db2.gz GXJNRRYTHTVZFE-UHFFFAOYSA-N 1 0 320.820 3.861 50 0 DHAARO Cc1ccnc(C[C@H](C)N(C)c2nc(C)nc3sccc32)c1 ZINC000055358579 563474228 /nfs/dbraw/zinc/47/42/28/563474228.db2.gz LGVUZCBMGXZQBO-LBPRGKRZSA-N 1 0 312.442 3.771 50 0 DHAARO COCCN(Cc1nc2ccccc2[nH]1)Cc1ccc(C)cc1 ZINC000055370287 563474614 /nfs/dbraw/zinc/47/46/14/563474614.db2.gz RZIZEEHVJZWCIU-UHFFFAOYSA-N 1 0 309.413 3.520 50 0 DHAARO COCC[N@H+](Cc1cccs1)Cc1cccc2cnccc21 ZINC000055343883 563474776 /nfs/dbraw/zinc/47/47/76/563474776.db2.gz XMQXJKBLKDVERZ-UHFFFAOYSA-N 1 0 312.438 3.945 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)c1cc(C)c(F)cc1F ZINC000096482514 563484594 /nfs/dbraw/zinc/48/45/94/563484594.db2.gz LPHUTXGDRIZKRR-UHFFFAOYSA-N 1 0 304.340 3.635 50 0 DHAARO C[N@@H+]1CCC[C@@H]1CCn1ccnc1-c1ccc2ccccc2n1 ZINC000067771382 563490479 /nfs/dbraw/zinc/49/04/79/563490479.db2.gz QTIRAZSMNOZXJC-MRXNPFEDSA-N 1 0 306.413 3.583 50 0 DHAARO C[C@H](c1ccc(-c2nccn2Cc2ccccn2)cc1)[NH+](C)C ZINC000067787570 563490649 /nfs/dbraw/zinc/49/06/49/563490649.db2.gz XAHDUQRDMXZYLJ-OAHLLOKOSA-N 1 0 306.413 3.616 50 0 DHAARO CC1(C)CCC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000067840249 563491338 /nfs/dbraw/zinc/49/13/38/563491338.db2.gz QJQCFTUDPAMACJ-SFHVURJKSA-N 1 0 314.473 3.981 50 0 DHAARO C[NH+](C)Cc1ccccc1Oc1ccc(-c2ccccc2)nn1 ZINC000067804915 563491371 /nfs/dbraw/zinc/49/13/71/563491371.db2.gz IVHPRBVEVGBBAC-UHFFFAOYSA-N 1 0 305.381 3.998 50 0 DHAARO CC[C@H](C)[NH2+]Cc1ccccc1-c1ccc(C(=O)N(C)C)cc1 ZINC000067851919 563492318 /nfs/dbraw/zinc/49/23/18/563492318.db2.gz MDPPOWAFQUUHRN-HNNXBMFYSA-N 1 0 310.441 3.944 50 0 DHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000067846767 563492583 /nfs/dbraw/zinc/49/25/83/563492583.db2.gz QFERDGHSMKEFKW-ZDUSSCGKSA-N 1 0 320.820 3.508 50 0 DHAARO C=Cc1cccc(C[NH+]2CCC3(CC2)CCC(=O)N(C)CC3)c1 ZINC000067847612 563492623 /nfs/dbraw/zinc/49/26/23/563492623.db2.gz DBKJHDXWMFRKLL-UHFFFAOYSA-N 1 0 312.457 3.554 50 0 DHAARO CC1=C(c2ccccc2)[C@@H]1c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067921053 563492922 /nfs/dbraw/zinc/49/29/22/563492922.db2.gz YFVVIARAPPHEFQ-GOSISDBHSA-N 1 0 309.413 3.525 50 0 DHAARO CC(C)[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(Cl)s2)C1 ZINC000067894728 563493512 /nfs/dbraw/zinc/49/35/12/563493512.db2.gz KOYYYOBONNSJKT-LBPRGKRZSA-N 1 0 314.882 3.642 50 0 DHAARO Cc1oc(-c2ccc3ccccc3c2)nc1CN1CC[NH2+]C[C@@H]1C ZINC000071315481 563498114 /nfs/dbraw/zinc/49/81/14/563498114.db2.gz UIEOYPDRZBJLIF-AWEZNQCLSA-N 1 0 321.424 3.597 50 0 DHAARO Cc1ccc(C[C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000071279047 563498293 /nfs/dbraw/zinc/49/82/93/563498293.db2.gz KOMSKSQRBTVWKU-QGZVFWFLSA-N 1 0 316.489 3.553 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)n1C ZINC000071762455 563500593 /nfs/dbraw/zinc/50/05/93/563500593.db2.gz TYDGDCVGZGQASI-QGZVFWFLSA-N 1 0 315.436 3.712 50 0 DHAARO Fc1ccccc1N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000071930775 563501232 /nfs/dbraw/zinc/50/12/32/563501232.db2.gz CKNQLJYCQLEECC-UHFFFAOYSA-N 1 0 309.388 3.629 50 0 DHAARO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccncc3)cc2)c1 ZINC000097109559 563506141 /nfs/dbraw/zinc/50/61/41/563506141.db2.gz NMTYGWVWRDMNRL-LJQANCHMSA-N 1 0 304.397 3.604 50 0 DHAARO CC[NH+](CC)C1CCN([C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000097165400 563507379 /nfs/dbraw/zinc/50/73/79/563507379.db2.gz NLJYPTUWSCUCJU-OAHLLOKOSA-N 1 0 320.477 3.571 50 0 DHAARO Cc1csc(N(C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000077407397 563509962 /nfs/dbraw/zinc/50/99/62/563509962.db2.gz KTGKBOPOIHDBHT-UHFFFAOYSA-N 1 0 315.486 3.800 50 0 DHAARO Cc1ccsc1C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000097287682 563515417 /nfs/dbraw/zinc/51/54/17/563515417.db2.gz ORSUVMMQWHZJQN-UHFFFAOYSA-N 1 0 316.348 3.682 50 0 DHAARO Clc1ccc2ccccc2c1OCCCC[NH+]1CCOCC1 ZINC000085385592 563520605 /nfs/dbraw/zinc/52/06/05/563520605.db2.gz RBFGJYRSPLARGY-UHFFFAOYSA-N 1 0 319.832 3.984 50 0 DHAARO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000098073951 563523584 /nfs/dbraw/zinc/52/35/84/563523584.db2.gz WQJJVUILWJDDCT-QGZVFWFLSA-N 1 0 310.441 3.646 50 0 DHAARO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(-c2ccccc2)c1 ZINC000097660347 563540928 /nfs/dbraw/zinc/54/09/28/563540928.db2.gz XFUGBCSXSXBGSI-FQEVSTJZSA-N 1 0 322.452 3.844 50 0 DHAARO O=C(Nc1ccc(F)cc1F)c1cccc(C[NH+]2CC=CC2)c1 ZINC000101853565 563558264 /nfs/dbraw/zinc/55/82/64/563558264.db2.gz JFZJNGHIPWEEFP-UHFFFAOYSA-N 1 0 314.335 3.589 50 0 DHAARO OCC[N@H+](Cc1csc(-c2ccco2)n1)C1CCCCC1 ZINC000050106478 563578795 /nfs/dbraw/zinc/57/87/95/563578795.db2.gz TWFPXJZQFNDYIX-UHFFFAOYSA-N 1 0 306.431 3.530 50 0 DHAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)cc1C ZINC000000261011 563583642 /nfs/dbraw/zinc/58/36/42/563583642.db2.gz JRHAGBSYFGMHEF-UHFFFAOYSA-N 1 0 319.518 3.805 50 0 DHAARO O[C@H](c1ccccc1)c1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1 ZINC000000382804 563591184 /nfs/dbraw/zinc/59/11/84/563591184.db2.gz AHBSFBQHTBVUMG-GHTZIAJQSA-N 1 0 318.420 3.704 50 0 DHAARO CC[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000248115797 563600535 /nfs/dbraw/zinc/60/05/35/563600535.db2.gz SDWPQJDIGRLAPJ-CZUORRHYSA-N 1 0 308.853 3.782 50 0 DHAARO Cc1ccc([C@](C)(O)C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000249399783 563609540 /nfs/dbraw/zinc/60/95/40/563609540.db2.gz UPACQNHDQQWHFH-MBNYWOFBSA-N 1 0 305.340 3.506 50 0 DHAARO Fc1ccc(-c2ccc(SCC[NH+]3CCCCC3)nn2)cc1 ZINC000005410618 563621508 /nfs/dbraw/zinc/62/15/08/563621508.db2.gz HWSUOVMJNAGIHB-UHFFFAOYSA-N 1 0 317.433 3.861 50 0 DHAARO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000236710093 563625683 /nfs/dbraw/zinc/62/56/83/563625683.db2.gz YTTOHAAPJGRTTC-INIZCTEOSA-N 1 0 320.820 3.861 50 0 DHAARO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000014230131 563666849 /nfs/dbraw/zinc/66/68/49/563666849.db2.gz ALTWAYVORVETQX-MRXNPFEDSA-N 1 0 307.478 3.848 50 0 DHAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3ccccc3o2)C1 ZINC000046991011 563678300 /nfs/dbraw/zinc/67/83/00/563678300.db2.gz HYJNRLKNNHFHOL-OAHLLOKOSA-N 1 0 314.429 3.675 50 0 DHAARO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000107065455 563682787 /nfs/dbraw/zinc/68/27/87/563682787.db2.gz XNEZBDIKGHCAEN-ZIAGYGMSSA-N 1 0 321.421 3.592 50 0 DHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)on1 ZINC000044975713 563687824 /nfs/dbraw/zinc/68/78/24/563687824.db2.gz KZVVRDIALHBUBR-KRWDZBQOSA-N 1 0 308.385 3.506 50 0 DHAARO COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)cc(OC)c1OC ZINC000045098312 563688303 /nfs/dbraw/zinc/68/83/03/563688303.db2.gz WSPYZEAACKMKIH-AWEZNQCLSA-N 1 0 315.413 3.872 50 0 DHAARO Cc1ccc(C[N@@H+](C)Cc2cnc(N3CCCC3)s2)s1 ZINC000215236434 563704581 /nfs/dbraw/zinc/70/45/81/563704581.db2.gz TWNMEVRZWGFYEE-UHFFFAOYSA-N 1 0 307.488 3.745 50 0 DHAARO Cc1occc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000215722111 563706928 /nfs/dbraw/zinc/70/69/28/563706928.db2.gz XINUESZVENOOGX-GOSISDBHSA-N 1 0 312.413 3.545 50 0 DHAARO C[C@@H](c1cccnc1)N(C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000216000752 563707612 /nfs/dbraw/zinc/70/76/12/563707612.db2.gz VDEFCMHAZGEFRH-HNNXBMFYSA-N 1 0 315.486 3.932 50 0 DHAARO CCCCc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)s1 ZINC000216227981 563708543 /nfs/dbraw/zinc/70/85/43/563708543.db2.gz UHOBFPKCYRLLPX-OAHLLOKOSA-N 1 0 320.502 3.678 50 0 DHAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000008431196 563722434 /nfs/dbraw/zinc/72/24/34/563722434.db2.gz ZRNAHGCQVXSGJH-UHFFFAOYSA-N 1 0 322.452 3.557 50 0 DHAARO Cn1c(CN2CCCC[C@@H]3CCCC[C@@H]32)nnc1C1CCC1 ZINC000225573369 563759159 /nfs/dbraw/zinc/75/91/59/563759159.db2.gz IZBGVAMXFZTFDB-HOCLYGCPSA-N 1 0 302.466 3.627 50 0 DHAARO O=C(CC1CCCC1)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244716065 563778838 /nfs/dbraw/zinc/77/88/38/563778838.db2.gz LHSKRYBIQGVPBF-IBGZPJMESA-N 1 0 314.473 3.595 50 0 DHAARO Clc1cccc(CN(CC[N@@H+]2C[C@H]3CC[C@@H]2C3)C2CC2)c1 ZINC000244773752 563778917 /nfs/dbraw/zinc/77/89/17/563778917.db2.gz PFSYFUMHCBQAIC-MAUKXSAKSA-N 1 0 304.865 3.789 50 0 DHAARO Cc1nccn1CCC[N@@H+](C)[C@@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244719032 563779002 /nfs/dbraw/zinc/77/90/02/563779002.db2.gz LVQDSNFPWOGMEH-HNNXBMFYSA-N 1 0 323.444 3.665 50 0 DHAARO CCc1ccc(CN(C)C[C@H]2CCC[N@@H+]2Cc2ccccc2)nc1 ZINC000244641277 563779170 /nfs/dbraw/zinc/77/91/70/563779170.db2.gz GMROXNGTWGFHPI-OAQYLSRUSA-N 1 0 323.484 3.740 50 0 DHAARO Cc1ccccc1Cn1cc(C[NH2+]CCN(C)C)c2ccccc21 ZINC000247960572 563782324 /nfs/dbraw/zinc/78/23/24/563782324.db2.gz FBJYUDUQGAYDDK-UHFFFAOYSA-N 1 0 321.468 3.649 50 0 DHAARO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC000052212601 563785586 /nfs/dbraw/zinc/78/55/86/563785586.db2.gz NVTGRPWDXDGODU-LJQANCHMSA-N 1 0 308.425 3.795 50 0 DHAARO COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@@H]1CCCCO1 ZINC000299778250 563805904 /nfs/dbraw/zinc/80/59/04/563805904.db2.gz IRGXRMGGZYEQGR-KRWDZBQOSA-N 1 0 319.445 3.675 50 0 DHAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000012674127 563809233 /nfs/dbraw/zinc/80/92/33/563809233.db2.gz SUJAQCINCVJIIU-ACJLOTCBSA-N 1 0 312.388 3.894 50 0 DHAARO CN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010336162 563813715 /nfs/dbraw/zinc/81/37/15/563813715.db2.gz DITFMAFHZVXYEH-UHFFFAOYSA-N 1 0 322.452 3.945 50 0 DHAARO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H](C)c4cnccn4)C3)nc2c1 ZINC000184701752 563819813 /nfs/dbraw/zinc/81/98/13/563819813.db2.gz KBESNSDOKGJHPN-LSDHHAIUSA-N 1 0 321.428 3.602 50 0 DHAARO CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(C)no1 ZINC000084131711 563823868 /nfs/dbraw/zinc/82/38/68/563823868.db2.gz OOVFSGFLLFOXBA-QGZVFWFLSA-N 1 0 310.401 3.690 50 0 DHAARO Cc1ccccc1[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)C1CC1 ZINC000084234905 563825851 /nfs/dbraw/zinc/82/58/51/563825851.db2.gz BYFYPWOTIFWCAB-DENIHFKCSA-N 1 0 313.466 3.973 50 0 DHAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000012776886 563829815 /nfs/dbraw/zinc/82/98/15/563829815.db2.gz CICJVJJVVVOJLE-BDJLRTHQSA-N 1 0 316.351 3.569 50 0 DHAARO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](CC2CCCCC2)C2CC2)C1 ZINC000084686221 563829825 /nfs/dbraw/zinc/82/98/25/563829825.db2.gz BQYGAOQMYHGSMX-HOTGVXAUSA-N 1 0 306.494 3.536 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000012776891 563829883 /nfs/dbraw/zinc/82/98/83/563829883.db2.gz CICJVJJVVVOJLE-MEDUHNTESA-N 1 0 316.351 3.569 50 0 DHAARO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000084661100 563829908 /nfs/dbraw/zinc/82/99/08/563829908.db2.gz KKOOIDKFASFXOP-AAEUAGOBSA-N 1 0 324.350 3.764 50 0 DHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1ccccc1F ZINC000084736174 563830845 /nfs/dbraw/zinc/83/08/45/563830845.db2.gz DKCVQELSOUAMGS-IYOUNJFTSA-N 1 0 318.436 3.513 50 0 DHAARO C[NH+](C)CCCCC(=O)Nc1ccccc1OC1CCCC1 ZINC000074224189 563833699 /nfs/dbraw/zinc/83/36/99/563833699.db2.gz VMRPSWBSAOSVMI-UHFFFAOYSA-N 1 0 304.434 3.678 50 0 DHAARO Cc1c2ccccc2oc1C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085324667 563835244 /nfs/dbraw/zinc/83/52/44/563835244.db2.gz YKOBJQLIVVIQEV-JOCHJYFZSA-N 1 0 313.422 3.768 50 0 DHAARO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085324801 563835298 /nfs/dbraw/zinc/83/52/98/563835298.db2.gz HXWZHCWGBBQQFJ-JLCFBVMHSA-N 1 0 319.445 3.674 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@@H](C)C1 ZINC000078897274 563844437 /nfs/dbraw/zinc/84/44/37/563844437.db2.gz HAHCEVPNUPPUID-XJKSGUPXSA-N 1 0 316.470 3.638 50 0 DHAARO c1ccc(C[NH+]2CCC(Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000074314584 563848757 /nfs/dbraw/zinc/84/87/57/563848757.db2.gz ADBNAUQRSMRBQP-UHFFFAOYSA-N 1 0 324.424 3.534 50 0 DHAARO c1ccc2c(c1)cccc2C[NH+]1CC(c2nc(C3CC3)no2)C1 ZINC000075156390 563861162 /nfs/dbraw/zinc/86/11/62/563861162.db2.gz WVRVUNBJGBUYNM-UHFFFAOYSA-N 1 0 305.381 3.700 50 0 DHAARO C[C@H](CNC(=O)Nc1ccccc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000058520798 563873888 /nfs/dbraw/zinc/87/38/88/563873888.db2.gz ABHNPODXJCZBLA-CHWSQXEVSA-N 1 0 309.841 3.724 50 0 DHAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(Cl)s1 ZINC000241926431 563880972 /nfs/dbraw/zinc/88/09/72/563880972.db2.gz UGEDMKHJENWVRB-RTXFEEFZSA-N 1 0 313.850 3.708 50 0 DHAARO CN1CC[N@H+](Cc2cccc3ncccc23)C[C@H]1c1ccccc1 ZINC000248156169 563883431 /nfs/dbraw/zinc/88/34/31/563883431.db2.gz VQXSZEWJNNWWDZ-NRFANRHFSA-N 1 0 317.436 3.724 50 0 DHAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@@H](O)COC(C)(C)C ZINC000036096686 563892770 /nfs/dbraw/zinc/89/27/70/563892770.db2.gz KMRUVFBEOBTVDP-OAHLLOKOSA-N 1 0 313.507 3.772 50 0 DHAARO CCC[N@@H+](Cc1ccccc1C)C[C@@H](O)COc1ccccc1 ZINC000036099946 563893707 /nfs/dbraw/zinc/89/37/07/563893707.db2.gz FJRFVGNYKPLRGX-LJQANCHMSA-N 1 0 313.441 3.647 50 0 DHAARO Cc1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c(C)c1 ZINC000154709801 563894620 /nfs/dbraw/zinc/89/46/20/563894620.db2.gz YNZWBHUBAITRLX-WIYYLYMNSA-N 1 0 301.455 3.513 50 0 DHAARO O=C(CCC1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000006847187 563897097 /nfs/dbraw/zinc/89/70/97/563897097.db2.gz ZTBXNMZFVRLFMB-UHFFFAOYSA-N 1 0 314.473 3.869 50 0 DHAARO COc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c1 ZINC000008002554 563897523 /nfs/dbraw/zinc/89/75/23/563897523.db2.gz XYPNRQTYPWKMEW-IBGZPJMESA-N 1 0 312.413 3.621 50 0 DHAARO CCC[NH+](CCC)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000006937386 563899965 /nfs/dbraw/zinc/89/99/65/563899965.db2.gz KMRCGKPATBIVGO-IEBWSBKVSA-N 1 0 305.462 3.564 50 0 DHAARO c1coc(-c2nnc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)o2)c1 ZINC000170612368 563908136 /nfs/dbraw/zinc/90/81/36/563908136.db2.gz IEEZYUITRLTGHI-CVEARBPZSA-N 1 0 323.396 3.831 50 0 DHAARO Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000013320315 563909558 /nfs/dbraw/zinc/90/95/58/563909558.db2.gz ADCYFAUASDLIED-UHFFFAOYSA-N 1 0 319.424 3.616 50 0 DHAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192967741 563909638 /nfs/dbraw/zinc/90/96/38/563909638.db2.gz UTOWXQLRNWTZFN-KBRIMQKVSA-N 1 0 300.402 3.628 50 0 DHAARO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CCOC3)s2)cc1 ZINC000089724326 563911034 /nfs/dbraw/zinc/91/10/34/563911034.db2.gz WCDVKXCCBYYWGA-SMDDNHRTSA-N 1 0 318.442 3.567 50 0 DHAARO Brc1cccc(OCC[NH2+]Cc2ccccc2)c1 ZINC000002823339 563913045 /nfs/dbraw/zinc/91/30/45/563913045.db2.gz PXSGIEQEDVHWHJ-UHFFFAOYSA-N 1 0 306.203 3.618 50 0 DHAARO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccsc3)CC2)nc1 ZINC000170670588 563917617 /nfs/dbraw/zinc/91/76/17/563917617.db2.gz JTSNZDSOMHSRIG-CQSZACIVSA-N 1 0 301.459 3.771 50 0 DHAARO Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000007696791 563917846 /nfs/dbraw/zinc/91/78/46/563917846.db2.gz VOAJNQAXMASOAV-UHFFFAOYSA-N 1 0 322.452 3.911 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1 ZINC000007737654 563918605 /nfs/dbraw/zinc/91/86/05/563918605.db2.gz SHNVVTVMFKEPPL-MRXNPFEDSA-N 1 0 324.424 3.693 50 0 DHAARO Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)o1 ZINC000007738641 563918628 /nfs/dbraw/zinc/91/86/28/563918628.db2.gz QITUYWPDOJTEPJ-ZDUSSCGKSA-N 1 0 309.369 3.573 50 0 DHAARO COCC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248048334 563920182 /nfs/dbraw/zinc/92/01/82/563920182.db2.gz AKVMKAWWWLXEHF-UHFFFAOYSA-N 1 0 308.425 3.734 50 0 DHAARO CCc1c2c3ccccc3n(C)c2c2c([n+]1C)CC(C)(C)CC2=O ZINC000001280549 563920401 /nfs/dbraw/zinc/92/04/01/563920401.db2.gz FZJZOGSKCPZPMI-UHFFFAOYSA-N 1 0 321.444 3.874 50 0 DHAARO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000007923752 563921096 /nfs/dbraw/zinc/92/10/96/563921096.db2.gz YRJIWGMCMMXNGU-UHFFFAOYSA-N 1 0 308.425 3.521 50 0 DHAARO COc1cc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)ccc1F ZINC000055008568 563925971 /nfs/dbraw/zinc/92/59/71/563925971.db2.gz ADKORIBAHBCONO-LJQANCHMSA-N 1 0 308.356 3.818 50 0 DHAARO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000225466188 563928330 /nfs/dbraw/zinc/92/83/30/563928330.db2.gz OAORRPKQJJAVOK-KRWDZBQOSA-N 1 0 318.392 3.530 50 0 DHAARO COc1ccc(CC[NH2+]Cc2c[nH]c3ccccc23)cc1OC ZINC000002462365 563929743 /nfs/dbraw/zinc/92/97/43/563929743.db2.gz LJLXXXWHGNBLGU-UHFFFAOYSA-N 1 0 310.397 3.517 50 0 DHAARO Cc1ccc(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000095932276 563931908 /nfs/dbraw/zinc/93/19/08/563931908.db2.gz DHOWIUDKAWCXFP-KDURUIRLSA-N 1 0 321.420 3.547 50 0 DHAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cnc2ccsc2c1 ZINC000095968389 563933072 /nfs/dbraw/zinc/93/30/72/563933072.db2.gz CFGSVLUNCTZOHA-SPGJAERMSA-N 1 0 302.443 3.760 50 0 DHAARO Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c(C)s1 ZINC000095968568 563933080 /nfs/dbraw/zinc/93/30/80/563933080.db2.gz GIEMTTHYQUQLEW-JQWIXIFHSA-N 1 0 305.491 3.997 50 0 DHAARO Cc1nc(CN2CCC(C[NH2+][C@H]3CCC(C)(C)C3)CC2)cs1 ZINC000096011758 563934959 /nfs/dbraw/zinc/93/49/59/563934959.db2.gz LCKFSJYHMCEKCW-INIZCTEOSA-N 1 0 321.534 3.832 50 0 DHAARO C[NH+](C)C[C@@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000096007673 563934972 /nfs/dbraw/zinc/93/49/72/563934972.db2.gz BKXPATMRYSICGM-KRWDZBQOSA-N 1 0 323.440 3.828 50 0 DHAARO OCc1ccccc1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000096473022 563937115 /nfs/dbraw/zinc/93/71/15/563937115.db2.gz SCTYDBRTNUIRNQ-UHFFFAOYSA-N 1 0 312.800 3.670 50 0 DHAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000096479107 563937492 /nfs/dbraw/zinc/93/74/92/563937492.db2.gz YXAPHSUDXGTWLZ-PJHJGJPPSA-N 1 0 305.553 3.576 50 0 DHAARO Fc1ccc(C2CC([NH2+][C@H]3CCO[C@]4(CCSC4)C3)C2)cc1 ZINC000097084851 563937846 /nfs/dbraw/zinc/93/78/46/563937846.db2.gz XNCHQZOMGUYQMN-ZLGJRNTRSA-N 1 0 321.461 3.716 50 0 DHAARO C[C@H](NC1(c2ccccc2Br)CC1)c1cnccn1 ZINC000225552564 563938129 /nfs/dbraw/zinc/93/81/29/563938129.db2.gz LGOGGVUBIIFLTP-NSHDSACASA-N 1 0 318.218 3.579 50 0 DHAARO CC[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccc(OC(F)F)cc1 ZINC000225615931 563938260 /nfs/dbraw/zinc/93/82/60/563938260.db2.gz ACDCCVFGNLCCDE-CQSZACIVSA-N 1 0 307.344 3.506 50 0 DHAARO COC(=O)c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000057620271 563942043 /nfs/dbraw/zinc/94/20/43/563942043.db2.gz RYLDNNUSVSLWQA-MRXNPFEDSA-N 1 0 319.788 3.961 50 0 DHAARO Cc1sc2ncnc(NC3CC[NH+](C(C)C)CC3)c2c1C ZINC000008329084 563948106 /nfs/dbraw/zinc/94/81/06/563948106.db2.gz UXKYKMBPSCXNFC-UHFFFAOYSA-N 1 0 304.463 3.593 50 0 DHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCOC(C)C ZINC000008395472 563948368 /nfs/dbraw/zinc/94/83/68/563948368.db2.gz FUIVEYIAXYJIHX-UHFFFAOYSA-N 1 0 319.424 3.533 50 0 DHAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000008429945 563948639 /nfs/dbraw/zinc/94/86/39/563948639.db2.gz KPRQMOYGZDKBQF-UHFFFAOYSA-N 1 0 322.452 3.829 50 0 DHAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(Br)cc2c1=O ZINC000008714075 563949929 /nfs/dbraw/zinc/94/99/29/563949929.db2.gz DJCGYKBGUPUOPN-UHFFFAOYSA-N 1 0 323.234 3.853 50 0 DHAARO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008705911 563950057 /nfs/dbraw/zinc/95/00/57/563950057.db2.gz IULCFIYEUULYKI-QGZVFWFLSA-N 1 0 322.452 3.968 50 0 DHAARO CC(=O)c1cccc(OCCN2CCCC[C@H]2c2cccnc2)c1 ZINC000008741370 563950464 /nfs/dbraw/zinc/95/04/64/563950464.db2.gz MXMZVZNVJILHAB-FQEVSTJZSA-N 1 0 324.424 3.890 50 0 biogenic DHAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2csc(-c3ccco3)n2)c1 ZINC000069459511 563952996 /nfs/dbraw/zinc/95/29/96/563952996.db2.gz SNNDGHRGBAERMJ-QWHCGFSZSA-N 1 0 316.430 3.647 50 0 DHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1Cl ZINC000069489808 563953146 /nfs/dbraw/zinc/95/31/46/563953146.db2.gz ZCDOTDFLIKKUMY-INIZCTEOSA-N 1 0 317.820 3.834 50 0 DHAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cc(F)cc3cccnc32)c1 ZINC000069570751 563953623 /nfs/dbraw/zinc/95/36/23/563953623.db2.gz QTBNBDHRUMGYAG-ZIAGYGMSSA-N 1 0 312.392 3.618 50 0 DHAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccc(F)cc1 ZINC000069593483 563953694 /nfs/dbraw/zinc/95/36/94/563953694.db2.gz WVYPCPOGFCBYFR-MRXNPFEDSA-N 1 0 312.388 3.644 50 0 DHAARO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000069701716 563954131 /nfs/dbraw/zinc/95/41/31/563954131.db2.gz AVVAUGMMDLNEKV-WBVHZDCISA-N 1 0 324.424 3.512 50 0 DHAARO CCC[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000069703814 563954340 /nfs/dbraw/zinc/95/43/40/563954340.db2.gz IUXLYECLRJBZAW-GJZGRUSLSA-N 1 0 308.491 3.513 50 0 DHAARO Cc1cc2c(cc1C)C(NCCCOC(C)C)=[NH+]C(C)(C)C2 ZINC000009305947 563954996 /nfs/dbraw/zinc/95/49/96/563954996.db2.gz SLJBEJHSYIRAHO-UHFFFAOYSA-N 1 0 302.462 3.789 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000070015237 563955757 /nfs/dbraw/zinc/95/57/57/563955757.db2.gz PBDNONQNQCANRD-IRXDYDNUSA-N 1 0 315.461 3.805 50 0 DHAARO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000071831368 563958987 /nfs/dbraw/zinc/95/89/87/563958987.db2.gz WEFCMMMGVBFCMX-OAHLLOKOSA-N 1 0 324.424 3.673 50 0 DHAARO COc1ccccc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000071831347 563958994 /nfs/dbraw/zinc/95/89/94/563958994.db2.gz BGSHFKCGDXEWMD-OAHLLOKOSA-N 1 0 324.424 3.673 50 0 DHAARO Cc1cc(NC(=O)CC[N@@H+](C)[C@H](C)c2ccccc2Cl)no1 ZINC000051425947 568415889 /nfs/dbraw/zinc/41/58/89/568415889.db2.gz LCBOMKXTGVWVNG-GFCCVEGCSA-N 1 0 321.808 3.658 50 0 DHAARO Cc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccccc2Cl)no1 ZINC000051425946 568415946 /nfs/dbraw/zinc/41/59/46/568415946.db2.gz LCBOMKXTGVWVNG-LBPRGKRZSA-N 1 0 321.808 3.658 50 0 DHAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000072298435 1013595439 /nfs/dbraw/zinc/59/54/39/1013595439.db2.gz VHGZHRRKPINIOV-AWEZNQCLSA-N 1 0 318.490 3.824 50 0 DHAARO CC[C@H]1CN(Cc2ccc(CO)o2)Cc2ccc(Cl)cc2O1 ZINC000299756519 1014727106 /nfs/dbraw/zinc/72/71/06/1014727106.db2.gz DIBLZIPVANLQOV-AWEZNQCLSA-N 1 0 321.804 3.599 50 0 DHAARO COc1ccc(CC[NH2+][C@H]2CCCNc3ccccc32)cc1F ZINC000192816116 1032512414 /nfs/dbraw/zinc/51/24/14/1032512414.db2.gz JCVDAFSYLBTRMM-SFHVURJKSA-N 1 0 314.404 3.913 50 0 DHAARO CCCC[NH2+]CCCCOc1ccc(Br)cc1 ZINC000002900295 1012598734 /nfs/dbraw/zinc/59/87/34/1012598734.db2.gz KCVDKPNZEDOUCX-UHFFFAOYSA-N 1 0 300.240 3.998 50 0 DHAARO CC[N@H+](C)[C@H]1CCN(C(=O)c2sc3ccc(C)cc3c2C)C1 ZINC000952845661 1032663271 /nfs/dbraw/zinc/66/32/71/1032663271.db2.gz AOPSKFLFEULMOM-AWEZNQCLSA-N 1 0 316.470 3.684 50 0 DHAARO c1nn2cccnc2c1C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000952971601 1032675779 /nfs/dbraw/zinc/67/57/79/1032675779.db2.gz KPNFJCMJNIHFDS-IBGZPJMESA-N 1 0 320.440 3.717 50 0 DHAARO CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1CO ZINC000952968402 1032678889 /nfs/dbraw/zinc/67/88/89/1032678889.db2.gz LMUJPFKZQOXBJE-OAHLLOKOSA-N 1 0 314.429 3.556 50 0 DHAARO c1coc(CN2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)c1 ZINC000952988311 1032682676 /nfs/dbraw/zinc/68/26/76/1032682676.db2.gz LBSJRMSOGXQWEF-FQEVSTJZSA-N 1 0 310.441 3.911 50 0 DHAARO Clc1ccc(OCCC[NH+]2CCCC2)c(Br)c1 ZINC000003003251 1017920057 /nfs/dbraw/zinc/92/00/57/1017920057.db2.gz CRTDTIVGINWYSM-UHFFFAOYSA-N 1 0 318.642 3.967 50 0 DHAARO CCc1[nH]c2c(cc(F)cc2C[NH2+]Cc2cnn(CC)c2)c1C ZINC000012571017 1018587807 /nfs/dbraw/zinc/58/78/07/1018587807.db2.gz SLZNNDCLTLICKO-UHFFFAOYSA-N 1 0 314.408 3.684 50 0 DHAARO COc1ccc([C@H]2C[C@@H](n3ccnc3)ON2c2ccccc2)cc1 ZINC000039414200 1018617199 /nfs/dbraw/zinc/61/71/99/1018617199.db2.gz AFTAGWUIMKVNOV-MOPGFXCFSA-N 1 0 321.380 3.974 50 0 DHAARO Cc1c[nH]nc1CN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000368220663 1019054153 /nfs/dbraw/zinc/05/41/53/1019054153.db2.gz CZPCTMOXMPCQPL-UHFFFAOYSA-N 1 0 310.401 3.547 50 0 DHAARO Cc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000011813941 1019263091 /nfs/dbraw/zinc/26/30/91/1019263091.db2.gz KRWJCRWFGSXLTK-LJQANCHMSA-N 1 0 317.404 3.544 50 0 DHAARO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H]2CCCO2)C3)cs1 ZINC000180875981 1020356075 /nfs/dbraw/zinc/35/60/75/1020356075.db2.gz LUUOYTAHPZIKLS-ZDUSSCGKSA-N 1 0 320.483 3.717 50 0 DHAARO Cc1nccn1CC[C@H](C)[N@H+](C)Cc1ccc2ncccc2c1 ZINC000823647184 1020433795 /nfs/dbraw/zinc/43/37/95/1020433795.db2.gz ITMWXBKNEGMAJV-HNNXBMFYSA-N 1 0 308.429 3.650 50 0 DHAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2ccc3c(ccn3C)c2)n1 ZINC000823709193 1020444328 /nfs/dbraw/zinc/44/43/28/1020444328.db2.gz DUYOABGMKZBVBV-UHFFFAOYSA-N 1 0 310.445 3.514 50 0 DHAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1ccc(-c2ccccc2)cc1 ZINC000823778620 1020446323 /nfs/dbraw/zinc/44/63/23/1020446323.db2.gz FWDYUMFQJYLCCK-FQEVSTJZSA-N 1 0 322.452 3.844 50 0 DHAARO Cc1cccc(NC(=O)N2CCCCC[C@H]2C[NH+]2CCCC2)c1 ZINC000581788002 1021833466 /nfs/dbraw/zinc/83/34/66/1021833466.db2.gz NOAAVZLZYXLERR-SFHVURJKSA-N 1 0 315.461 3.867 50 0 DHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC000581788136 1021837880 /nfs/dbraw/zinc/83/78/80/1021837880.db2.gz UNHHFCZLUHSVGX-INIZCTEOSA-N 1 0 320.502 3.722 50 0 DHAARO CN1/C(=C/C(=O)Nc2ccccc2)c2ccccc2CC1(C)C ZINC000103628670 1022092716 /nfs/dbraw/zinc/09/27/16/1022092716.db2.gz PANYDBOUIPAGQU-QGOAFFKASA-N 1 0 306.409 3.933 50 0 DHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000004021709 1022251061 /nfs/dbraw/zinc/25/10/61/1022251061.db2.gz BSPMSTCAXPQQMY-MJGOQNOKSA-N 1 0 316.489 3.761 50 0 DHAARO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000105548903 1022953288 /nfs/dbraw/zinc/95/32/88/1022953288.db2.gz WBLURPAGRKIDKQ-GVDBMIGSSA-N 1 0 300.446 3.834 50 0 DHAARO c1sc(-c2ncccn2)nc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000106826234 1023383938 /nfs/dbraw/zinc/38/39/38/1023383938.db2.gz DLGBWFZDZJBWHP-KBPBESRZSA-N 1 0 314.458 3.612 50 0 DHAARO Cc1ccc(C)c(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000045948014 1023637133 /nfs/dbraw/zinc/63/71/33/1023637133.db2.gz UYOIDSJLDKQYOB-INIZCTEOSA-N 1 0 317.477 3.937 50 0 DHAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000200486625 1023710119 /nfs/dbraw/zinc/71/01/19/1023710119.db2.gz DNYXQZYYADJHKS-ZDUSSCGKSA-N 1 0 317.383 3.944 50 0 DHAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc2cccnc21 ZINC000048354033 1023735780 /nfs/dbraw/zinc/73/57/80/1023735780.db2.gz YSEDTRIIHSNJFJ-NJAFHUGGSA-N 1 0 324.424 3.541 50 0 DHAARO COCc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)ccc1F ZINC000178483583 1024039699 /nfs/dbraw/zinc/03/96/99/1024039699.db2.gz HYADFKBMYJSGPH-CYBMUJFWSA-N 1 0 315.388 3.758 50 0 DHAARO C[C@@H](CCc1ccc(O)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000004981325 1024147034 /nfs/dbraw/zinc/14/70/34/1024147034.db2.gz UXBLQMNWTGOQTR-KRWDZBQOSA-N 1 0 310.441 3.536 50 0 DHAARO O[C@@]12CCCC[C@H]1[C@H](c1ccc(Cl)cc1Cl)[NH2+]CC2 ZINC000216013621 1024527002 /nfs/dbraw/zinc/52/70/02/1024527002.db2.gz INWMRQARFUAODH-AEGPPILISA-N 1 0 300.229 3.949 50 0 DHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)on1 ZINC000216061662 1024527948 /nfs/dbraw/zinc/52/79/48/1024527948.db2.gz YFVRTEQCNISXPA-QGZVFWFLSA-N 1 0 308.385 3.506 50 0 DHAARO Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3ccnn3C)cc2c1 ZINC000928995861 1024651783 /nfs/dbraw/zinc/65/17/83/1024651783.db2.gz KJDVHCOUCSMQES-IBGZPJMESA-N 1 0 306.413 3.614 50 0 DHAARO [NH3+]CC[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)c2ccccc21 ZINC000888097766 1024700648 /nfs/dbraw/zinc/70/06/48/1024700648.db2.gz OIMAZAFVCJECQJ-QGZVFWFLSA-N 1 0 306.409 3.657 50 0 DHAARO Cc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000006721907 1025125752 /nfs/dbraw/zinc/12/57/52/1025125752.db2.gz CMQKORYZVNPMIX-UYAOXDASSA-N 1 0 320.436 3.752 50 0 DHAARO CC(=O)N(CCC[NH+](C)C)[C@@H]1CCCC[C@H]1C1=CCCCC1 ZINC000005378059 1025134446 /nfs/dbraw/zinc/13/44/46/1025134446.db2.gz LQSOSWGLYWPBCY-RBUKOAKNSA-N 1 0 306.494 3.846 50 0 DHAARO CCn1ccc2c1cccc2C[NH+]1CCC(Cn2ccnc2)CC1 ZINC000216457397 1025257688 /nfs/dbraw/zinc/25/76/88/1025257688.db2.gz YXYDRSVKSQJICA-UHFFFAOYSA-N 1 0 322.456 3.770 50 0 DHAARO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc2nccn21 ZINC000809783487 1033716800 /nfs/dbraw/zinc/71/68/00/1033716800.db2.gz FAZYLCVLVFLPAY-GOSISDBHSA-N 1 0 309.413 3.926 50 0 DHAARO O=C(c1cc2ccccc2s1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000828146869 1034424456 /nfs/dbraw/zinc/42/44/56/1034424456.db2.gz ILWHBWPOYONLGH-UHFFFAOYSA-N 1 0 314.454 3.602 50 0 DHAARO CCN(CC)[C@H](C[NH2+]Cc1ccc(OC)c(F)c1)c1ccco1 ZINC000032581949 1036254526 /nfs/dbraw/zinc/25/45/26/1036254526.db2.gz HHIRBQFGBLNNSV-MRXNPFEDSA-N 1 0 320.408 3.600 50 0 DHAARO COc1cccc(OC)c1OCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002270962 1037138837 /nfs/dbraw/zinc/13/88/37/1037138837.db2.gz WJCOGFUOFNSBMV-HZPDHXFCSA-N 1 0 321.461 3.841 50 0 DHAARO C[C@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](Cc2ccncc2)C1 ZINC000095500912 185374602 /nfs/dbraw/zinc/37/46/02/185374602.db2.gz DVVPABPRCRYFBO-HXUWFJFHSA-N 1 0 324.424 3.655 50 0 DHAARO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000328591762 231233558 /nfs/dbraw/zinc/23/35/58/231233558.db2.gz GCYGBLKMPRUWIV-SXGZJXTBSA-N 1 0 321.424 3.913 50 0 DHAARO COc1cccc2cc(CNCCC[NH+]3CCC(C)CC3)oc21 ZINC000096953672 185393435 /nfs/dbraw/zinc/39/34/35/185393435.db2.gz OBEQWYAIFOYZBO-UHFFFAOYSA-N 1 0 316.445 3.653 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000096943746 185393526 /nfs/dbraw/zinc/39/35/26/185393526.db2.gz FBEBHNUTRSVWEG-IBIZNAIESA-N 1 0 322.452 3.899 50 0 DHAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1CC)c1ccccc1 ZINC000089948729 185270873 /nfs/dbraw/zinc/27/08/73/185270873.db2.gz VIWZZVRNMLIZDL-AYOQOUSVSA-N 1 0 314.473 3.764 50 0 DHAARO CCCC1CCC(C[NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000089949982 185271030 /nfs/dbraw/zinc/27/10/30/185271030.db2.gz URCZUXFZEFIYEO-UHFFFAOYSA-N 1 0 302.462 3.742 50 0 DHAARO CSC1(C[NH2+][C@@H]2CCCOc3cc(C)ccc32)CCOCC1 ZINC000090113271 185282679 /nfs/dbraw/zinc/28/26/79/185282679.db2.gz LYAYZAFAGWFWLF-MRXNPFEDSA-N 1 0 321.486 3.711 50 0 DHAARO CCCCC[C@@H](C)[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000006940258 190626485 /nfs/dbraw/zinc/62/64/85/190626485.db2.gz LFWAWRNAGYWOIA-ZBFHGGJFSA-N 1 0 313.869 3.776 50 0 DHAARO O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CCCCCCC1 ZINC000095391511 185351423 /nfs/dbraw/zinc/35/14/23/185351423.db2.gz KDHKUNYKALXHBQ-SFHVURJKSA-N 1 0 300.446 3.560 50 0 DHAARO c1cc(-c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)ccn1 ZINC000095390850 185351465 /nfs/dbraw/zinc/35/14/65/185351465.db2.gz LJBKXOIJRXGZKK-UHFFFAOYSA-N 1 0 320.396 3.785 50 0 DHAARO Cc1ccccc1-c1cccc(-c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000095391700 185351982 /nfs/dbraw/zinc/35/19/82/185351982.db2.gz IOQVAQZAGATDGM-UHFFFAOYSA-N 1 0 318.424 3.845 50 0 DHAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCCC2)cc1 ZINC000095404427 185355537 /nfs/dbraw/zinc/35/55/37/185355537.db2.gz KBXOZDKGSSXJRM-ZIAGYGMSSA-N 1 0 304.434 3.581 50 0 DHAARO Cc1nccn1CCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000095415414 185358628 /nfs/dbraw/zinc/35/86/28/185358628.db2.gz UXMNMHOLHFQLPM-UHFFFAOYSA-N 1 0 314.820 3.573 50 0 DHAARO FC(F)(F)COCC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000095418505 185359546 /nfs/dbraw/zinc/35/95/46/185359546.db2.gz SGXYAVPMCWCVEQ-UHFFFAOYSA-N 1 0 318.726 3.557 50 0 DHAARO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 ZINC000095419735 185360244 /nfs/dbraw/zinc/36/02/44/185360244.db2.gz NJFKIUJRPMXIFZ-MFKMUULPSA-N 1 0 313.369 3.979 50 0 DHAARO CCc1ccc(N2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000095423586 185361308 /nfs/dbraw/zinc/36/13/08/185361308.db2.gz CSDIXCZCYSQGGY-KRWDZBQOSA-N 1 0 304.503 3.703 50 0 DHAARO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000095426568 185361779 /nfs/dbraw/zinc/36/17/79/185361779.db2.gz DAPJPDOTQASNJM-IBGZPJMESA-N 1 0 310.441 3.547 50 0 DHAARO CCCC[C@H](CC)CC[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000095445331 185367354 /nfs/dbraw/zinc/36/73/54/185367354.db2.gz KUMXUKUEQLTAQY-DLBZAZTESA-N 1 0 304.482 3.642 50 0 DHAARO Cc1cc(C)c(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC000095447459 185367762 /nfs/dbraw/zinc/36/77/62/185367762.db2.gz VBBBMTIQQDIMOM-UHFFFAOYSA-N 1 0 318.461 3.568 50 0 DHAARO C[C@H]1C[C@H](Nc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000095452116 185369255 /nfs/dbraw/zinc/36/92/55/185369255.db2.gz SGVXBJWPYAYGBX-YJBOKZPZSA-N 1 0 324.424 3.533 50 0 DHAARO C[C@@H]1C[C@H](Nc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000095452115 185369339 /nfs/dbraw/zinc/36/93/39/185369339.db2.gz SGVXBJWPYAYGBX-QAPCUYQASA-N 1 0 324.424 3.533 50 0 DHAARO C[C@H](C[C@@H](C)[NH2+]CCc1ccccc1F)NC(=O)OC(C)(C)C ZINC000095455500 185369790 /nfs/dbraw/zinc/36/97/90/185369790.db2.gz OEFKDZZTXCQPOH-ZIAGYGMSSA-N 1 0 324.440 3.650 50 0 DHAARO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000095459378 185370671 /nfs/dbraw/zinc/37/06/71/185370671.db2.gz JQTVAIJKYXKXIO-UWVGGRQHSA-N 1 0 303.233 3.956 50 0 DHAARO c1ccc(COC[C@H]([NH2+]C2CCOCC2)c2ccccc2)cc1 ZINC000097017055 185397657 /nfs/dbraw/zinc/39/76/57/185397657.db2.gz WNBVFLVGCFCHKF-FQEVSTJZSA-N 1 0 311.425 3.713 50 0 DHAARO CCC1CCC(N(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC000170677444 197805407 /nfs/dbraw/zinc/80/54/07/197805407.db2.gz FTYUZMKFDZXRPN-PBHCIXSXSA-N 1 0 320.521 3.972 50 0 DHAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000080346544 192150374 /nfs/dbraw/zinc/15/03/74/192150374.db2.gz XSTILHRJJFUTQB-ISOUWHGUSA-N 1 0 305.462 3.620 50 0 DHAARO C[NH+](C)[C@H](CNc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000083847803 192386716 /nfs/dbraw/zinc/38/67/16/192386716.db2.gz FYXQIPPCNDQODQ-MRVPVSSYSA-N 1 0 321.393 3.938 50 0 DHAARO OCc1ccc(C[NH2+][C@H]2CCCOc3c4ccccc4ccc32)o1 ZINC000084056006 192397811 /nfs/dbraw/zinc/39/78/11/192397811.db2.gz VRPKWUSLEYZSAY-IBGZPJMESA-N 1 0 323.392 3.929 50 0 DHAARO CCCC(=O)C1CC[NH+](Cc2c[nH]c3cc(=O)ccc-3c2)CC1 ZINC000071763882 191028300 /nfs/dbraw/zinc/02/83/00/191028300.db2.gz KLXHOFMZJFHOTD-UHFFFAOYSA-N 1 0 312.413 3.522 50 0 DHAARO CC[C@@H](CNc1cc(-c2ccccc2)nc2ccnn21)[N@H+](C)CC ZINC000072138877 191048475 /nfs/dbraw/zinc/04/84/75/191048475.db2.gz ZRZVMMYKQZBBFA-INIZCTEOSA-N 1 0 323.444 3.539 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Nc2cccc(Cl)c2)C1 ZINC000072117737 191039442 /nfs/dbraw/zinc/03/94/42/191039442.db2.gz CNGZWVXWCGIHOB-OKILXGFUSA-N 1 0 323.868 3.830 50 0 DHAARO Cc1ccc(F)cc1-c1cc(NCC[NH+](C)C)nc2[nH]ccc21 ZINC000072129248 191042462 /nfs/dbraw/zinc/04/24/62/191042462.db2.gz VKFPNJLAYCSUAX-UHFFFAOYSA-N 1 0 312.392 3.651 50 0 DHAARO Fc1ccccc1OC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072145806 191053045 /nfs/dbraw/zinc/05/30/45/191053045.db2.gz KZKXPPIPHCSEHZ-INIZCTEOSA-N 1 0 300.377 3.512 50 0 DHAARO c1cc([C@@H]2CCCO2)sc1C[NH+]1CC(c2ccccn2)C1 ZINC000072146155 191053741 /nfs/dbraw/zinc/05/37/41/191053741.db2.gz QIHDCRUJWNLUKL-INIZCTEOSA-N 1 0 300.427 3.594 50 0 DHAARO Clc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000072153387 191057373 /nfs/dbraw/zinc/05/73/73/191057373.db2.gz CEBQZSFRADXUAC-UHFFFAOYSA-N 1 0 302.805 3.778 50 0 DHAARO CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000225602443 186282378 /nfs/dbraw/zinc/28/23/78/186282378.db2.gz KDSREIMCEKWOEM-PMACEKPBSA-N 1 0 322.452 3.629 50 0 DHAARO Cc1nccc([C@@H](C)[NH2+]CCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000225632743 186285093 /nfs/dbraw/zinc/28/50/93/186285093.db2.gz WEAURNHMRPWMQU-LLVKDONJSA-N 1 0 314.820 3.813 50 0 DHAARO Cc1cc(C[N@H+](C)Cc2ccc(CCC(C)(C)O)cc2)ccn1 ZINC000072431199 191163218 /nfs/dbraw/zinc/16/32/18/191163218.db2.gz KMJDMWLHMSHCLH-UHFFFAOYSA-N 1 0 312.457 3.726 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000000124619 180700658 /nfs/dbraw/zinc/70/06/58/180700658.db2.gz FUDFJBHPFJYIJY-QGZVFWFLSA-N 1 0 305.462 3.590 50 0 DHAARO O[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000072473740 191177043 /nfs/dbraw/zinc/17/70/43/191177043.db2.gz ZMRBHALPTIWGCJ-SFHVURJKSA-N 1 0 301.455 3.564 50 0 DHAARO C[C@H](O)C[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000072713955 191221988 /nfs/dbraw/zinc/22/19/88/191221988.db2.gz PPEWEBVNBFZBNP-VIFPVBQESA-N 1 0 300.185 3.724 50 0 DHAARO Cc1ccc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)cc1 ZINC000000819160 180835533 /nfs/dbraw/zinc/83/55/33/180835533.db2.gz MHBMQKIFIXWROB-UHFFFAOYSA-N 1 0 321.380 3.736 50 0 DHAARO COc1cccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1OC ZINC000000757580 180832015 /nfs/dbraw/zinc/83/20/15/180832015.db2.gz CPNBMKBKJOZEPP-CQSZACIVSA-N 1 0 315.413 3.520 50 0 DHAARO C[NH+](C)CCCNc1ncnc2scc(-c3ccccc3)c21 ZINC000001746506 180894255 /nfs/dbraw/zinc/89/42/55/180894255.db2.gz SRSDNTGHPXXIDW-UHFFFAOYSA-N 1 0 312.442 3.722 50 0 DHAARO Cc1cccc(OCCOCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000002822231 180961047 /nfs/dbraw/zinc/96/10/47/180961047.db2.gz RVGDAKXKLNSVBC-HOTGVXAUSA-N 1 0 305.462 3.677 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000003289084 181000794 /nfs/dbraw/zinc/00/07/94/181000794.db2.gz JEYBRFSQIVFTTM-OAHLLOKOSA-N 1 0 320.795 3.512 50 0 DHAARO [NH3+]CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000003359377 181010925 /nfs/dbraw/zinc/01/09/25/181010925.db2.gz DYYGEKZQSWDPOC-UHFFFAOYSA-N 1 0 322.865 3.764 50 0 DHAARO CCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000003434374 181018938 /nfs/dbraw/zinc/01/89/38/181018938.db2.gz VHMWXAMSFWEUEL-LSDHHAIUSA-N 1 0 323.477 3.511 50 0 DHAARO Cc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000003504455 181027666 /nfs/dbraw/zinc/02/76/66/181027666.db2.gz QBHRBVVAYOFIHG-QGZVFWFLSA-N 1 0 312.413 3.545 50 0 DHAARO CCCOc1ccc([C@@](O)(CC)CC[NH+]2CCCCC2)cc1 ZINC000003901300 181055181 /nfs/dbraw/zinc/05/51/81/181055181.db2.gz XEUICYHPOPUKPU-LJQANCHMSA-N 1 0 305.462 3.949 50 0 DHAARO C[C@@H](CC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000004028055 181064426 /nfs/dbraw/zinc/06/44/26/181064426.db2.gz XTBMRTNKDDLAMA-YTQUADARSA-N 1 0 315.457 3.988 50 0 biogenic DHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccccc1 ZINC000004007041 181061625 /nfs/dbraw/zinc/06/16/25/181061625.db2.gz QMVOVIVYPUFDEL-HKUYNNGSSA-N 1 0 321.424 3.835 50 0 biogenic DHAARO CC1(C)CC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)(C)[NH2+]1 ZINC000004125187 181076744 /nfs/dbraw/zinc/07/67/44/181076744.db2.gz QTQFBMKFFWZTMU-UHFFFAOYSA-N 1 0 318.505 3.628 50 0 DHAARO O=C(c1cccc(Cl)c1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000004133842 181077008 /nfs/dbraw/zinc/07/70/08/181077008.db2.gz JDRNEJVRCPPRPZ-UHFFFAOYSA-N 1 0 320.864 3.821 50 0 DHAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004133700 181077043 /nfs/dbraw/zinc/07/70/43/181077043.db2.gz RVWFFGFGNAMNDI-WMLDXEAASA-N 1 0 320.864 3.677 50 0 DHAARO Cc1cc(Cl)ccc1OCCOCC[NH+]1CCC(C)CC1 ZINC000004472840 181111374 /nfs/dbraw/zinc/11/13/74/181111374.db2.gz KFTMKKBPEFIYPA-UHFFFAOYSA-N 1 0 311.853 3.776 50 0 DHAARO COc1ccc(CNc2[nH+]cc(-c3ccccc3)n2C)cc1OC ZINC000004678560 181135864 /nfs/dbraw/zinc/13/58/64/181135864.db2.gz HIOVIIRCTYMMBG-UHFFFAOYSA-N 1 0 323.396 3.716 50 0 DHAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 ZINC000004745155 181146856 /nfs/dbraw/zinc/14/68/56/181146856.db2.gz XMXDCKONGLCRHL-LJQANCHMSA-N 1 0 314.473 3.610 50 0 DHAARO CCOc1ccccc1CN1CCC([NH+]2CCC(C)CC2)CC1 ZINC000004746386 181146938 /nfs/dbraw/zinc/14/69/38/181146938.db2.gz KGYKVQHWHOVTQK-UHFFFAOYSA-N 1 0 316.489 3.782 50 0 DHAARO O=C(CC[NH+]1CCCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000004747124 181147124 /nfs/dbraw/zinc/14/71/24/181147124.db2.gz KPYMFUQJHWNUOX-UHFFFAOYSA-N 1 0 314.351 3.910 50 0 DHAARO COc1cccc(C=O)c1OCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004842390 181161475 /nfs/dbraw/zinc/16/14/75/181161475.db2.gz AKJFEVXBGULWHZ-IYBDPMFKSA-N 1 0 319.445 3.645 50 0 DHAARO Cc1cc(Br)ccc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000004913053 181172441 /nfs/dbraw/zinc/17/24/41/181172441.db2.gz GYKIXVDLOYSEGU-GFCCVEGCSA-N 1 0 312.251 3.868 50 0 DHAARO Cc1cc(Br)ccc1OCC[N@H+]1CCC[C@H](C)C1 ZINC000004913051 181172503 /nfs/dbraw/zinc/17/25/03/181172503.db2.gz GYKIXVDLOYSEGU-LBPRGKRZSA-N 1 0 312.251 3.868 50 0 DHAARO C[C@@H](NC(=O)Nc1cccc2ccccc21)C(C)(C)C[NH+](C)C ZINC000076091970 191576870 /nfs/dbraw/zinc/57/68/70/191576870.db2.gz DRVUPNGLKNKVHG-CQSZACIVSA-N 1 0 313.445 3.938 50 0 DHAARO CC[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000005214775 181217925 /nfs/dbraw/zinc/21/79/25/181217925.db2.gz CYHUFVANTKWRTJ-UHFFFAOYSA-N 1 0 324.453 3.500 50 0 DHAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000005559758 181257454 /nfs/dbraw/zinc/25/74/54/181257454.db2.gz OMMABXQBKXLFFT-OXQOHEQNSA-N 1 0 321.420 3.930 50 0 DHAARO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000237523385 202270987 /nfs/dbraw/zinc/27/09/87/202270987.db2.gz UBFYZCFPJPHSLR-JTQLQIEISA-N 1 0 322.321 3.642 50 0 DHAARO COc1ccccc1-c1noc([C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000191157439 200636477 /nfs/dbraw/zinc/63/64/77/200636477.db2.gz CMZACAIKCXPTHJ-AVGNSLFASA-N 1 0 301.390 3.679 50 0 DHAARO CCC(=O)N1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000089941627 192914929 /nfs/dbraw/zinc/91/49/29/192914929.db2.gz HQAFOAAGOYZGMF-IBGZPJMESA-N 1 0 300.446 3.518 50 0 DHAARO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3ccnc(N)c3)C2)n1 ZINC000193359181 201038051 /nfs/dbraw/zinc/03/80/51/201038051.db2.gz AAKFCLTVSNKYTB-CQSZACIVSA-N 1 0 316.474 3.623 50 0 DHAARO C[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000006703993 181375466 /nfs/dbraw/zinc/37/54/66/181375466.db2.gz XJJQWXWZBCBPLO-UHFFFAOYSA-N 1 0 309.768 3.786 50 0 DHAARO CC(C)Oc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000006746670 181381792 /nfs/dbraw/zinc/38/17/92/181381792.db2.gz ACYZXIXAVQYNOY-UHFFFAOYSA-N 1 0 318.461 3.513 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000006827396 181395449 /nfs/dbraw/zinc/39/54/49/181395449.db2.gz GCBVDILOJSAAKR-UHFFFAOYSA-N 1 0 302.443 3.504 50 0 DHAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccc2Cl)C1 ZINC000250211471 202821349 /nfs/dbraw/zinc/82/13/49/202821349.db2.gz ZCYDXOCZAXWALB-ZENOOKHLSA-N 1 0 306.837 3.521 50 0 DHAARO [NH2+]=C(NO)c1cccc(-c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000261494871 203074104 /nfs/dbraw/zinc/07/41/04/203074104.db2.gz OHLNLWQGSRJODS-UHFFFAOYSA-N 1 0 315.682 3.725 50 0 DHAARO C[C@H](CC1CC1)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000095962413 193461306 /nfs/dbraw/zinc/46/13/06/193461306.db2.gz HNWHHWQPFVWOJM-IUODEOHRSA-N 1 0 306.837 3.614 50 0 DHAARO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(N2CCOC2=O)c1 ZINC000095969316 193466070 /nfs/dbraw/zinc/46/60/70/193466070.db2.gz DXRGLGVREAZBFF-SUMWQHHRSA-N 1 0 320.458 3.580 50 0 DHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccccc1 ZINC000014139464 181929259 /nfs/dbraw/zinc/92/92/59/181929259.db2.gz RGROMWBNIPFBBL-UHFFFAOYSA-N 1 0 311.429 3.850 50 0 DHAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000015583743 182008096 /nfs/dbraw/zinc/00/80/96/182008096.db2.gz TWSKQCXDZOILGU-DIFFPNOSSA-N 1 0 316.351 3.569 50 0 DHAARO Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000015860009 182021441 /nfs/dbraw/zinc/02/14/41/182021441.db2.gz QQUCCLBCZXNQNG-QGZVFWFLSA-N 1 0 312.413 3.545 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](C)C[NH2+]C[C@H]2CCCO2)c1 ZINC000016192827 182036605 /nfs/dbraw/zinc/03/66/05/182036605.db2.gz IJNRPSLQUTZEGT-IAGOWNOFSA-N 1 0 305.462 3.902 50 0 DHAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000016445029 182044885 /nfs/dbraw/zinc/04/48/85/182044885.db2.gz URMKPZLFZGJRDW-AWEZNQCLSA-N 1 0 301.386 3.572 50 0 DHAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)NCCC1=CCCCC1 ZINC000016695449 182058343 /nfs/dbraw/zinc/05/83/43/182058343.db2.gz YXEMIKLXKXCMNF-IBGZPJMESA-N 1 0 312.457 3.660 50 0 DHAARO COc1ccccc1C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000017310980 182082793 /nfs/dbraw/zinc/08/27/93/182082793.db2.gz OYROQDDMNGHXDK-UHFFFAOYSA-N 1 0 321.424 3.788 50 0 DHAARO COCCCC1CC[NH+](Cc2nc(-c3ccoc3)oc2C)CC1 ZINC000019113063 182104424 /nfs/dbraw/zinc/10/44/24/182104424.db2.gz RGXWBEYSVRWEAI-UHFFFAOYSA-N 1 0 318.417 3.882 50 0 DHAARO Fc1ccc(C[C@@H]2C[N@H+](Cc3c[nH]c4ccccc34)CCO2)cc1 ZINC000019145645 182105801 /nfs/dbraw/zinc/10/58/01/182105801.db2.gz XOYRYFCHOIUBAX-GOSISDBHSA-N 1 0 324.399 3.751 50 0 DHAARO COc1ccc(CC[NH2+]Cc2ccccc2Cl)cc1OC ZINC000019232783 182110355 /nfs/dbraw/zinc/11/03/55/182110355.db2.gz TYGQOEVJLCXMNA-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO Clc1ccc(C(c2ccc(Cl)cc2)N2CC[NH2+]CC2)cc1 ZINC000019366603 182118632 /nfs/dbraw/zinc/11/86/32/182118632.db2.gz PTLFMGDNZYQISN-UHFFFAOYSA-N 1 0 321.251 3.988 50 0 DHAARO COc1cccc(CC[NH2+]Cc2ccc(Br)cc2)c1 ZINC000019720338 182138618 /nfs/dbraw/zinc/13/86/18/182138618.db2.gz RZTSEAAVCISPTJ-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO c1ccc(CN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000019637563 182134172 /nfs/dbraw/zinc/13/41/72/182134172.db2.gz LBIBXCFEBJFHHW-UHFFFAOYSA-N 1 0 310.485 3.629 50 0 DHAARO CCc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000019842322 182155611 /nfs/dbraw/zinc/15/56/11/182155611.db2.gz CTMNGFVWRATXFJ-UHFFFAOYSA-N 1 0 312.432 3.706 50 0 DHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccccc1F)[NH2+]CC2 ZINC000019809032 182153025 /nfs/dbraw/zinc/15/30/25/182153025.db2.gz VGIGLOVEJWYJPZ-IBGZPJMESA-N 1 0 315.388 3.858 50 0 DHAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000019902625 182162399 /nfs/dbraw/zinc/16/23/99/182162399.db2.gz VBJJVQACEPQLIQ-OAQYLSRUSA-N 1 0 319.452 3.813 50 0 DHAARO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000019907240 182163257 /nfs/dbraw/zinc/16/32/57/182163257.db2.gz ADFOYEWFVUCSHF-QGZVFWFLSA-N 1 0 303.789 3.592 50 0 DHAARO c1c[nH]c(-c2ccccc2C[N@@H+]2CCC[C@H]2c2nccs2)n1 ZINC000020109528 182187898 /nfs/dbraw/zinc/18/78/98/182187898.db2.gz OAXQKLFEABQXJS-HNNXBMFYSA-N 1 0 310.426 3.870 50 0 DHAARO Cc1ccc(C(C)(C)C)c(OCCCC[NH+]2CCN(C)CC2)c1 ZINC000020117923 182188228 /nfs/dbraw/zinc/18/82/28/182188228.db2.gz FQPWUVWTPIRUGS-UHFFFAOYSA-N 1 0 318.505 3.699 50 0 DHAARO CC(C)COCCC[NH2+]Cc1cccc(Br)c1 ZINC000020147148 182192074 /nfs/dbraw/zinc/19/20/74/182192074.db2.gz VJVXTSZRYTXHBF-UHFFFAOYSA-N 1 0 300.240 3.601 50 0 DHAARO O=C(C[C@@H]1[NH2+]CCc2ccccc21)Nc1ccc(Cl)cc1 ZINC000020389316 182213764 /nfs/dbraw/zinc/21/37/64/182213764.db2.gz LNEIJTZTANOBNB-INIZCTEOSA-N 1 0 300.789 3.556 50 0 DHAARO Clc1cccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000020437269 182217885 /nfs/dbraw/zinc/21/78/85/182217885.db2.gz OIDXZLIXHSLXJS-INIZCTEOSA-N 1 0 304.865 3.814 50 0 DHAARO Cc1noc(C)c1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000020572941 182234177 /nfs/dbraw/zinc/23/41/77/182234177.db2.gz FSABPIKVOOGJBM-UHFFFAOYSA-N 1 0 302.393 3.885 50 0 DHAARO CCOc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000020507127 182225587 /nfs/dbraw/zinc/22/55/87/182225587.db2.gz OIHYWHDYXMCANR-SFHVURJKSA-N 1 0 317.816 3.982 50 0 DHAARO Cc1nc(CC[NH+]2CCC(Oc3ccc(F)cc3)CC2)cs1 ZINC000020536266 182227528 /nfs/dbraw/zinc/22/75/28/182227528.db2.gz RBQALWLFLUSUCZ-UHFFFAOYSA-N 1 0 320.433 3.677 50 0 DHAARO CC(C)CC[C@@]1(CC[NH+]2CCN(C)CC2)CCO[C@H](C(C)C)C1 ZINC000020648157 182241040 /nfs/dbraw/zinc/24/10/40/182241040.db2.gz IPORIWFJIBWFBV-VQTJNVASSA-N 1 0 324.553 3.882 50 0 DHAARO CCC(=O)c1ccccc1OCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020653377 182242340 /nfs/dbraw/zinc/24/23/40/182242340.db2.gz DUQKKLVIXMWGNZ-HOTGVXAUSA-N 1 0 319.445 3.548 50 0 DHAARO CN1CC[NH+](CCCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020652665 182242343 /nfs/dbraw/zinc/24/23/43/182242343.db2.gz IXFQNELZUSJJMC-UHFFFAOYSA-N 1 0 324.468 3.760 50 0 DHAARO CCCc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000020595808 182236242 /nfs/dbraw/zinc/23/62/42/182236242.db2.gz HSSVPCVIWOOLAM-UHFFFAOYSA-N 1 0 320.502 3.791 50 0 DHAARO Cc1[nH]c2ccc(C)cc2c1[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000021793242 182289810 /nfs/dbraw/zinc/28/98/10/182289810.db2.gz KBBQATZWAGTDAZ-FQEVSTJZSA-N 1 0 320.436 3.876 50 0 DHAARO Cc1ccc(OCCCCCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000022033802 182305348 /nfs/dbraw/zinc/30/53/48/182305348.db2.gz SWOWFBVZVJSVEV-UHFFFAOYSA-N 1 0 324.896 3.835 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccco1)c1ccccc1Cl ZINC000022681717 182330563 /nfs/dbraw/zinc/33/05/63/182330563.db2.gz BYIHECRWRVEIPD-HNNXBMFYSA-N 1 0 320.820 3.746 50 0 DHAARO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc2cccnc21 ZINC000023074942 182346029 /nfs/dbraw/zinc/34/60/29/182346029.db2.gz LDGGKCOGPVPPRU-UHFFFAOYSA-N 1 0 306.365 3.596 50 0 DHAARO Cc1cc(C[NH2+][C@H](C)[C@H](O)c2ccc(O)cc2)c(C)n1C(C)C ZINC000023673487 182365950 /nfs/dbraw/zinc/36/59/50/182365950.db2.gz POCGPUUYGAXVLS-KUHUBIRLSA-N 1 0 316.445 3.603 50 0 DHAARO C[NH+](C)CC/C=C1/c2ccccc2C[S@](=O)c2ccccc21 ZINC000038190882 182995545 /nfs/dbraw/zinc/99/55/45/182995545.db2.gz NBNPVRZHUPMVQS-CJBPROBKSA-N 1 0 311.450 3.691 50 0 DHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)/C=C/c1cccc(F)c1 ZINC000040108157 183036552 /nfs/dbraw/zinc/03/65/52/183036552.db2.gz XFJBGOLPISUGQO-OFAQMXQXSA-N 1 0 318.436 3.610 50 0 DHAARO Clc1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042772915 183306851 /nfs/dbraw/zinc/30/68/51/183306851.db2.gz XDLDEHLWNMTLSA-UHFFFAOYSA-N 1 0 318.642 3.871 50 0 DHAARO Oc1cccc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2Cl)c1 ZINC000057354890 184035432 /nfs/dbraw/zinc/03/54/32/184035432.db2.gz LUZUNIZJTHTBOW-AWEZNQCLSA-N 1 0 312.196 3.522 50 0 DHAARO CC[NH+](CC)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000058012580 184066791 /nfs/dbraw/zinc/06/67/91/184066791.db2.gz INMYCHCRTBDHOE-MRXNPFEDSA-N 1 0 308.853 3.782 50 0 DHAARO CC(C)C[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000058434760 184118277 /nfs/dbraw/zinc/11/82/77/184118277.db2.gz ZGMUNSPTLZOPPH-UHFFFAOYSA-N 1 0 309.841 3.536 50 0 DHAARO C[C@@H](CC[N@@H+]1CCCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000065394447 184334436 /nfs/dbraw/zinc/33/44/36/184334436.db2.gz PJNJIJJURXAKDB-KRWDZBQOSA-N 1 0 314.473 3.515 50 0 DHAARO Cc1cccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000065363287 184328803 /nfs/dbraw/zinc/32/88/03/184328803.db2.gz NSCAUGZGTKHCNL-UHFFFAOYSA-N 1 0 324.424 3.720 50 0 DHAARO CCCCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000006721905 257137333 /nfs/dbraw/zinc/13/73/33/257137333.db2.gz BGRBXELRMMVNBC-SJLPKXTDSA-N 1 0 300.446 3.710 50 0 DHAARO Cc1c2cc(F)ccc2[nH]c1CN(C)Cc1cc(C2CC2)n[nH]1 ZINC000216473190 257273294 /nfs/dbraw/zinc/27/32/94/257273294.db2.gz MSUGVVXAMUAFJZ-UHFFFAOYSA-N 1 0 312.392 3.848 50 0 DHAARO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000236747053 257239752 /nfs/dbraw/zinc/23/97/52/257239752.db2.gz WGXXMXXWNMRZPI-VKJFTORMSA-N 1 0 302.462 3.642 50 0 DHAARO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(C(F)(F)F)nc1Cl ZINC000521394535 257240936 /nfs/dbraw/zinc/24/09/36/257240936.db2.gz PJRCCRQYDWQHAA-LPEHRKFASA-N 1 0 322.758 3.829 50 0 DHAARO CSc1n[nH]c(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)n1 ZINC000426526448 257248049 /nfs/dbraw/zinc/24/80/49/257248049.db2.gz PMIWTXHADWRYHR-GFCCVEGCSA-N 1 0 302.447 3.741 50 0 DHAARO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2C)C2CC2)o1 ZINC000253630055 257257791 /nfs/dbraw/zinc/25/77/91/257257791.db2.gz MOMNAZHJXDUYNN-RDTXWAMCSA-N 1 0 318.461 3.590 50 0 DHAARO CCCO[C@@H]1CCC[N@@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000032550936 134681846 /nfs/dbraw/zinc/68/18/46/134681846.db2.gz JVJZYKVCMSFXAC-QGZVFWFLSA-N 1 0 320.452 3.686 50 0 DHAARO C[C@H]([NH2+]CCCn1cccn1)c1nc(-c2ccccc2)cs1 ZINC000095419841 332169780 /nfs/dbraw/zinc/16/97/80/332169780.db2.gz STVQSLHDTDDXLL-AWEZNQCLSA-N 1 0 312.442 3.748 50 0 DHAARO C[C@@H]([NH2+]CCCn1cccn1)c1nc(-c2ccccc2)cs1 ZINC000095419842 332169823 /nfs/dbraw/zinc/16/98/23/332169823.db2.gz STVQSLHDTDDXLL-CQSZACIVSA-N 1 0 312.442 3.748 50 0 DHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000015070752 332394739 /nfs/dbraw/zinc/39/47/39/332394739.db2.gz DHCBGSWHFHBXGZ-IBGZPJMESA-N 1 0 324.424 3.550 50 0 DHAARO CC(C)[C@@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cccnc1 ZINC000534664728 334318088 /nfs/dbraw/zinc/31/80/88/334318088.db2.gz MXSFCSVPWZETIJ-LJQANCHMSA-N 1 0 313.445 3.626 50 0 DHAARO CC(C)(C)C1CC([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000459381639 339026003 /nfs/dbraw/zinc/02/60/03/339026003.db2.gz SCSCUQOLPGEDEP-UHFFFAOYSA-N 1 0 314.473 3.706 50 0 DHAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000468548653 339266031 /nfs/dbraw/zinc/26/60/31/339266031.db2.gz PPAUXARDTRQAMR-INIZCTEOSA-N 1 0 302.462 3.601 50 0 DHAARO COC[C@@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)C1CC1 ZINC000136674449 341264627 /nfs/dbraw/zinc/26/46/27/341264627.db2.gz IATPITBBNXJVHA-QGZVFWFLSA-N 1 0 321.424 3.516 50 0 DHAARO CN(C)c1ncccc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000154776518 341595896 /nfs/dbraw/zinc/59/58/96/341595896.db2.gz PSISDNQBPYRKFU-KRWDZBQOSA-N 1 0 323.440 3.684 50 0 DHAARO COc1ccccc1N1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000004981222 537069992 /nfs/dbraw/zinc/06/99/92/537069992.db2.gz LDLFDUWJSYEOBY-GOSISDBHSA-N 1 0 324.468 3.839 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000011847325 563599858 /nfs/dbraw/zinc/59/98/58/563599858.db2.gz BCFVDPZYAPIOHZ-NVXWUHKLSA-N 1 0 305.462 3.598 50 0 DHAARO COc1cccc(C[NH2+]Cc2ccc(SC)cc2)c1OC ZINC000000172171 563227257 /nfs/dbraw/zinc/22/72/57/563227257.db2.gz CDUPTXNAHOCCGC-UHFFFAOYSA-N 1 0 303.427 3.716 50 0 DHAARO Clc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000000216834 563231647 /nfs/dbraw/zinc/23/16/47/563231647.db2.gz NKMGWZZAFWDLFG-UHFFFAOYSA-N 1 0 300.833 3.705 50 0 DHAARO O=C(NC1CCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000000236067 563232085 /nfs/dbraw/zinc/23/20/85/563232085.db2.gz RZGXAHYIJWXEDB-UHFFFAOYSA-N 1 0 320.864 3.611 50 0 DHAARO CCOC(=O)[C@H]1C=C(c2ccccc2)C=C[NH+]=C1N(CC)CC ZINC000000343275 563242851 /nfs/dbraw/zinc/24/28/51/563242851.db2.gz VHBIZFWKROPEBX-KRWDZBQOSA-N 1 0 312.413 3.517 50 0 DHAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000000528017 563264927 /nfs/dbraw/zinc/26/49/27/563264927.db2.gz BEOQKSZRKHUMCP-UHFFFAOYSA-N 1 0 300.427 3.986 50 0 DHAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000002514589 563305136 /nfs/dbraw/zinc/30/51/36/563305136.db2.gz AMAQRLIZIIEDHT-UHFFFAOYSA-N 1 0 301.336 3.792 50 0 DHAARO [NH3+]C[C@@H](CCO[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000034625812 563310935 /nfs/dbraw/zinc/31/09/35/563310935.db2.gz SGVWGQRMFAWWKV-IUODEOHRSA-N 1 0 318.244 3.969 50 0 DHAARO CC(C)(CO)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000010434538 563357001 /nfs/dbraw/zinc/35/70/01/563357001.db2.gz UKBHURMOKDKGIX-UHFFFAOYSA-N 1 0 313.319 3.826 50 0 DHAARO Fc1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c1 ZINC000011937021 563361225 /nfs/dbraw/zinc/36/12/25/563361225.db2.gz DMUOKMPZYLWWEG-KRWDZBQOSA-N 1 0 322.387 3.574 50 0 DHAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000012151072 563363173 /nfs/dbraw/zinc/36/31/73/563363173.db2.gz FOOHPDASMCFZGG-MRXNPFEDSA-N 1 0 313.445 3.693 50 0 DHAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012307813 563366296 /nfs/dbraw/zinc/36/62/96/563366296.db2.gz KQVYYZMSXUMVLP-OAHLLOKOSA-N 1 0 314.816 3.830 50 0 DHAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012308044 563366526 /nfs/dbraw/zinc/36/65/26/563366526.db2.gz COIROUODGAJQNU-OAHLLOKOSA-N 1 0 314.816 3.830 50 0 DHAARO C[NH2+]Cc1nc2ccccc2n1CCCCOc1ccc(C)cc1 ZINC000012461742 563369951 /nfs/dbraw/zinc/36/99/51/563369951.db2.gz FMXDDVOVQJJMDE-UHFFFAOYSA-N 1 0 323.440 3.923 50 0 DHAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccco1 ZINC000013110706 563378332 /nfs/dbraw/zinc/37/83/32/563378332.db2.gz UFOHGYMHVZWPDJ-UHFFFAOYSA-N 1 0 312.417 3.583 50 0 DHAARO c1ccc([C@H](C[NH+]2CCCC2)Nc2ncnc3ccccc32)cc1 ZINC000032770055 563391979 /nfs/dbraw/zinc/39/19/79/563391979.db2.gz YWVKDFGHMVMCNL-IBGZPJMESA-N 1 0 318.424 3.879 50 0 DHAARO C[N@H+](CCCNC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000032779521 563393315 /nfs/dbraw/zinc/39/33/15/563393315.db2.gz QTOQFSIMLOOFFS-UHFFFAOYSA-N 1 0 307.413 3.602 50 0 DHAARO Brc1ccc2cc(OC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000014631300 563402177 /nfs/dbraw/zinc/40/21/77/563402177.db2.gz IQIPUZDCZQVKGC-LBPRGKRZSA-N 1 0 320.230 3.981 50 0 DHAARO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000032850700 563403029 /nfs/dbraw/zinc/40/30/29/563403029.db2.gz SWGZPHVUDRDBMM-KZNAEPCWSA-N 1 0 314.473 3.644 50 0 DHAARO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000015073094 563406900 /nfs/dbraw/zinc/40/69/00/563406900.db2.gz OEUUCHHEQKQUJC-ZDUSSCGKSA-N 1 0 309.500 3.847 50 0 DHAARO Cc1ccccc1N1CCC([NH2+][C@H](C)CCCC(C)(C)O)CC1 ZINC000020118996 563415923 /nfs/dbraw/zinc/41/59/23/563415923.db2.gz VCSNEKDIEUJUEF-QGZVFWFLSA-N 1 0 318.505 3.883 50 0 DHAARO Cc1cccc(N2CCC([NH2+][C@H](C)CCCC(C)(C)O)CC2)c1 ZINC000019957479 563416349 /nfs/dbraw/zinc/41/63/49/563416349.db2.gz HXEPCPNYIVZIQC-QGZVFWFLSA-N 1 0 318.505 3.883 50 0 DHAARO CCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662485 563429412 /nfs/dbraw/zinc/42/94/12/563429412.db2.gz WITHJCXUNDLCMN-OAHLLOKOSA-N 1 0 308.491 3.972 50 0 DHAARO Cc1ccc([C@H](CNC(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000027794360 563430000 /nfs/dbraw/zinc/43/00/00/563430000.db2.gz CAVBGLFXHSEFMB-INIZCTEOSA-N 1 0 314.454 3.623 50 0 DHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1ccco1 ZINC000027989318 563430075 /nfs/dbraw/zinc/43/00/75/563430075.db2.gz QEZLFSBTYMWHTC-CQSZACIVSA-N 1 0 318.442 3.688 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCCCCC2)c2ccc(C)cc12 ZINC000028297075 563431271 /nfs/dbraw/zinc/43/12/71/563431271.db2.gz OMGZEVTXRRUVFX-GOSISDBHSA-N 1 0 314.473 3.803 50 0 DHAARO Cc1ccc(F)cc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029483646 563434823 /nfs/dbraw/zinc/43/48/23/563434823.db2.gz UCCKUEUTYWLRJK-GOSISDBHSA-N 1 0 312.388 3.692 50 0 DHAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2)cc1 ZINC000030640283 563437275 /nfs/dbraw/zinc/43/72/75/563437275.db2.gz MVZIDGWFXCROOY-AWEZNQCLSA-N 1 0 312.413 3.895 50 0 DHAARO Cc1cc(C)n(CCC[NH2+][C@@H](C)COc2c(C)cccc2C)n1 ZINC000032576449 563442412 /nfs/dbraw/zinc/44/24/12/563442412.db2.gz VOWOMXPWYPYVLY-KRWDZBQOSA-N 1 0 315.461 3.564 50 0 DHAARO c1ccc(CN2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000002498530 563448565 /nfs/dbraw/zinc/44/85/65/563448565.db2.gz HNKFXVGCCISYNN-JOCHJYFZSA-N 1 0 320.480 3.798 50 0 DHAARO Clc1cccc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)c1 ZINC000035268963 563452620 /nfs/dbraw/zinc/45/26/20/563452620.db2.gz IAFQQWQUGMCVKK-UHFFFAOYSA-N 1 0 315.804 3.976 50 0 DHAARO C[C@H](CC[NH+]1CCC(n2cc(C3CC3)nn2)CC1)c1ccccc1 ZINC000055280993 563473516 /nfs/dbraw/zinc/47/35/16/563473516.db2.gz REWAANJQQXNRIQ-MRXNPFEDSA-N 1 0 324.472 3.986 50 0 DHAARO C[C@@H](CC[NH+]1CCC(n2cc(C3CC3)nn2)CC1)c1ccccc1 ZINC000055280992 563473574 /nfs/dbraw/zinc/47/35/74/563473574.db2.gz REWAANJQQXNRIQ-INIZCTEOSA-N 1 0 324.472 3.986 50 0 DHAARO Cc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543779 563476099 /nfs/dbraw/zinc/47/60/99/563476099.db2.gz IGFOAFPRWQACKH-UHFFFAOYSA-N 1 0 300.833 3.971 50 0 DHAARO COc1ccccc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055543101 563476541 /nfs/dbraw/zinc/47/65/41/563476541.db2.gz SMYFEBPJTZIOSJ-UHFFFAOYSA-N 1 0 316.832 3.671 50 0 DHAARO c1coc(CN(Cc2cnn(-c3ccccc3)n2)C2CCCC2)c1 ZINC000058157975 563478530 /nfs/dbraw/zinc/47/85/30/563478530.db2.gz JCXCSWPZRXUWNB-UHFFFAOYSA-N 1 0 322.412 3.805 50 0 DHAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(CC)no2)cc1 ZINC000064666999 563486292 /nfs/dbraw/zinc/48/62/92/563486292.db2.gz AGRKGZARGBMKOX-KRWDZBQOSA-N 1 0 300.402 3.973 50 0 DHAARO CC(C)=CC(=O)NCC[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000067789019 563490333 /nfs/dbraw/zinc/49/03/33/563490333.db2.gz KAJLAUXDEJJENE-QGZVFWFLSA-N 1 0 306.494 3.894 50 0 DHAARO C=Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4CC4)C3)C2)c1 ZINC000067855829 563492110 /nfs/dbraw/zinc/49/21/10/563492110.db2.gz FCQVDBRIEXVOJS-OAQYLSRUSA-N 1 0 324.468 3.554 50 0 DHAARO OC1(c2ccc(-c3ccc(F)cc3Cl)cc2)CC[NH2+]CC1 ZINC000071279020 563498153 /nfs/dbraw/zinc/49/81/53/563498153.db2.gz VXMMGUNVGHQTHN-UHFFFAOYSA-N 1 0 305.780 3.717 50 0 DHAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCCCC3)c(C)o2)c1 ZINC000071776243 563500892 /nfs/dbraw/zinc/50/08/92/563500892.db2.gz QGKICCHQMZGYSI-UHFFFAOYSA-N 1 0 316.401 3.653 50 0 DHAARO COc1ccc(OC)c([C@@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)c1 ZINC000097232086 563514580 /nfs/dbraw/zinc/51/45/80/563514580.db2.gz JVDDWOCWKHZALB-CYBMUJFWSA-N 1 0 312.413 3.822 50 0 DHAARO Cc1cccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000072286243 563524876 /nfs/dbraw/zinc/52/48/76/563524876.db2.gz HNPATLBIHINLLR-MRXNPFEDSA-N 1 0 306.450 3.634 50 0 DHAARO C[C@H](c1ccc(-c2ccc(CC(N)=O)cc2)cc1)[NH+]1CCCC1 ZINC000096159785 563534585 /nfs/dbraw/zinc/53/45/85/563534585.db2.gz PGGXKUDQQHLJSQ-OAHLLOKOSA-N 1 0 308.425 3.538 50 0 DHAARO Cc1cc2cc(C(=O)N(C)CC[NH+]3CCCCCC3)ccc2o1 ZINC000097594760 563540107 /nfs/dbraw/zinc/54/01/07/563540107.db2.gz WDCOQYWCDBETNT-UHFFFAOYSA-N 1 0 314.429 3.689 50 0 DHAARO [NH3+][C@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000097713517 563541674 /nfs/dbraw/zinc/54/16/74/563541674.db2.gz LYJDZEMAWVYWHE-INIZCTEOSA-N 1 0 309.413 3.699 50 0 DHAARO Clc1ccc([C@@H]2C=C(c3ccccc3)[NH+]=C3N=CNN32)cc1 ZINC000100461091 563550878 /nfs/dbraw/zinc/55/08/78/563550878.db2.gz QJXUSTBBAIGSOR-INIZCTEOSA-N 1 0 308.772 3.640 50 0 DHAARO CC(C)CCNC(=O)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000000299508 563585461 /nfs/dbraw/zinc/58/54/61/563585461.db2.gz WNLSSWLTXDZNLA-QGZVFWFLSA-N 1 0 316.489 3.664 50 0 DHAARO COc1ccc([C@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000340714 563589705 /nfs/dbraw/zinc/58/97/05/563589705.db2.gz DEEATEZDZDETJW-UXHICEINSA-N 1 0 311.425 3.608 50 0 DHAARO C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CC(c2ccccc2F)C1 ZINC000128087266 563605313 /nfs/dbraw/zinc/60/53/13/563605313.db2.gz CWTVOXZOTDZFIR-VWLISTAJSA-N 1 0 303.377 3.767 50 0 DHAARO COc1cc(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)ccc1O ZINC000129923778 563605937 /nfs/dbraw/zinc/60/59/37/563605937.db2.gz JTVQGSKMFZZMQS-STQMWFEESA-N 1 0 317.351 3.654 50 0 DHAARO O=C(c1ccco1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069349468 563615552 /nfs/dbraw/zinc/61/55/52/563615552.db2.gz LOJONMJJVHHNAE-ROUUACIJSA-N 1 0 324.424 3.549 50 0 DHAARO Cc1c(-c2ccc(Cl)cc2)[n+](=O)c(-c2ccccc2)cn1O ZINC000100593750 563615680 /nfs/dbraw/zinc/61/56/80/563615680.db2.gz JZRWNFXUUCSNTI-UHFFFAOYSA-N 1 0 313.764 3.936 50 0 DHAARO COc1ccc(Sc2ccccc2C[C@@H](C)[NH3+])cc1OC ZINC000033895877 563616321 /nfs/dbraw/zinc/61/63/21/563616321.db2.gz ZUPFLSCORDEOGB-GFCCVEGCSA-N 1 0 303.427 3.745 50 0 DHAARO c1ccc(CC[NH+]2CCC(Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000005395054 563620834 /nfs/dbraw/zinc/62/08/34/563620834.db2.gz XCIYXRYZYVWZTF-UHFFFAOYSA-N 1 0 324.424 3.534 50 0 DHAARO c1cnc2c(c1)cccc2C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000378894965 563622731 /nfs/dbraw/zinc/62/27/31/563622731.db2.gz BXFZUCLEABFCEC-UHFFFAOYSA-N 1 0 304.393 3.502 50 0 DHAARO C[NH+]1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000005525419 563622993 /nfs/dbraw/zinc/62/29/93/563622993.db2.gz QYGOCZHZGFCPTK-UHFFFAOYSA-N 1 0 303.189 3.636 50 0 DHAARO CCC[N@H+](C[C@H](O)COc1ccccc1C(C)C)CC1CC1 ZINC000008473367 563625392 /nfs/dbraw/zinc/62/53/92/563625392.db2.gz ULMYJICTIPPAJK-KRWDZBQOSA-N 1 0 305.462 3.672 50 0 DHAARO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000153880251 563626093 /nfs/dbraw/zinc/62/60/93/563626093.db2.gz FTDVAORRMIOBED-MRXNPFEDSA-N 1 0 314.454 3.516 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COc1ccccc1 ZINC000169679264 563647348 /nfs/dbraw/zinc/64/73/48/563647348.db2.gz CQJRVHSQODLXPZ-NVXWUHKLSA-N 1 0 317.429 3.628 50 0 DHAARO O[C@H](C[N@H+]1CC=C(c2ccccc2)CC1)c1ccc(F)cc1F ZINC000051112419 563653439 /nfs/dbraw/zinc/65/34/39/563653439.db2.gz HNEFNJOFHKZYNR-LJQANCHMSA-N 1 0 315.363 3.788 50 0 DHAARO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000103305102 563666785 /nfs/dbraw/zinc/66/67/85/563666785.db2.gz BLJYNIAWZKUEJS-VXGBXAGGSA-N 1 0 314.351 3.764 50 0 DHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccccn2)cc1 ZINC000047191025 563678918 /nfs/dbraw/zinc/67/89/18/563678918.db2.gz NWYMDWSZAJRVQD-HNNXBMFYSA-N 1 0 309.413 3.708 50 0 DHAARO CN(C(=O)NCc1ccccc1C[NH+](C)C)C1CCCCCC1 ZINC000045104050 563688298 /nfs/dbraw/zinc/68/82/98/563688298.db2.gz RRJODCMFKQTBGB-UHFFFAOYSA-N 1 0 317.477 3.612 50 0 DHAARO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000108357080 563688309 /nfs/dbraw/zinc/68/83/09/563688309.db2.gz QMLUMZVJISHTKV-JKSUJKDBSA-N 1 0 313.363 3.832 50 0 DHAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000108486176 563688836 /nfs/dbraw/zinc/68/88/36/563688836.db2.gz WPTUSCVGQBFGFQ-VZIIKCOPSA-N 1 0 315.429 3.695 50 0 DHAARO Cc1oc(-c2cccs2)nc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000048235375 563694065 /nfs/dbraw/zinc/69/40/65/563694065.db2.gz FMNARGRYNBPQND-ZDUSSCGKSA-N 1 0 318.442 3.712 50 0 DHAARO CCOCCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048226860 563694100 /nfs/dbraw/zinc/69/41/00/563694100.db2.gz OMFSKVKMJHKNNL-INIZCTEOSA-N 1 0 318.461 3.674 50 0 DHAARO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000048301113 563695732 /nfs/dbraw/zinc/69/57/32/563695732.db2.gz GBTLHNXNADIYKG-HNNXBMFYSA-N 1 0 300.427 3.548 50 0 DHAARO CN(C(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC000048324387 563695874 /nfs/dbraw/zinc/69/58/74/563695874.db2.gz RZMABAZELVXQMN-HXUWFJFHSA-N 1 0 322.452 3.747 50 0 DHAARO Cc1[nH]nc2ncc(C[NH2+][C@H]3CCSc4ccccc43)cc12 ZINC000048341077 563697179 /nfs/dbraw/zinc/69/71/79/563697179.db2.gz TUBYJJIGEXHMOS-HNNXBMFYSA-N 1 0 310.426 3.593 50 0 DHAARO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000048374097 563697936 /nfs/dbraw/zinc/69/79/36/563697936.db2.gz HKEXSRJQMGAAOF-SJORKVTESA-N 1 0 310.441 3.659 50 0 DHAARO CCOc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)CC3)o2)cc1 ZINC000215106617 563703887 /nfs/dbraw/zinc/70/38/87/563703887.db2.gz OZAXQNKZWSUJRJ-MRXNPFEDSA-N 1 0 315.413 3.692 50 0 DHAARO Cc1ccccc1-c1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000215250741 563704775 /nfs/dbraw/zinc/70/47/75/563704775.db2.gz MZFOPYIPOZVKGQ-HXUWFJFHSA-N 1 0 306.453 3.942 50 0 DHAARO CC[C@H](C)Sc1ncc(CN2CCOC3(CCCC3)C2)cn1 ZINC000215478921 563705612 /nfs/dbraw/zinc/70/56/12/563705612.db2.gz QZVTZWNPCGJNFD-AWEZNQCLSA-N 1 0 321.490 3.512 50 0 DHAARO Cc1cc(-n2cccn2)ccc1C[N@H+](C)CCC[C@@H]1CCCO1 ZINC000215291328 563705810 /nfs/dbraw/zinc/70/58/10/563705810.db2.gz AIKNTMZMTJRKBV-LJQANCHMSA-N 1 0 313.445 3.572 50 0 DHAARO CCc1nccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000215634678 563706572 /nfs/dbraw/zinc/70/65/72/563706572.db2.gz XZCIAVZDQOMMQM-UHFFFAOYSA-N 1 0 322.412 3.560 50 0 DHAARO C[C@H](c1cccnc1)N(C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000216000793 563707680 /nfs/dbraw/zinc/70/76/80/563707680.db2.gz VDEFCMHAZGEFRH-OAHLLOKOSA-N 1 0 315.486 3.932 50 0 DHAARO CCCCc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)s1 ZINC000216227933 563708409 /nfs/dbraw/zinc/70/84/09/563708409.db2.gz UHOBFPKCYRLLPX-HNNXBMFYSA-N 1 0 320.502 3.678 50 0 DHAARO CCn1ccc2cc(C[N@H+](C)[C@@H](C)Cc3cnccn3)ccc21 ZINC000216231021 563708418 /nfs/dbraw/zinc/70/84/18/563708418.db2.gz JXZRFVJEFIBLNW-HNNXBMFYSA-N 1 0 308.429 3.514 50 0 DHAARO CN(CC[C@@H]1CCCCO1)Cc1c(Cl)cncc1Cl ZINC000216364370 563709213 /nfs/dbraw/zinc/70/92/13/563709213.db2.gz DXXQNZNKFXOIDC-NSHDSACASA-N 1 0 303.233 3.779 50 0 DHAARO O=C(c1cc(Cl)ccc1F)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000223697690 563735141 /nfs/dbraw/zinc/73/51/41/563735141.db2.gz QVYJYBJLIMYSNU-AWEZNQCLSA-N 1 0 324.827 3.570 50 0 DHAARO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)C1(c2ccccc2)CCCC1 ZINC000225407514 563754121 /nfs/dbraw/zinc/75/41/21/563754121.db2.gz HQFZEECYLGEPCI-IEBWSBKVSA-N 1 0 317.473 3.672 50 0 DHAARO CSc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)s1 ZINC000225551869 563758818 /nfs/dbraw/zinc/75/88/18/563758818.db2.gz YDVPEUMSFWCVQG-CQSZACIVSA-N 1 0 322.499 3.990 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000030662023 563763352 /nfs/dbraw/zinc/76/33/52/563763352.db2.gz INLZZKNSPOOZFG-GJZGRUSLSA-N 1 0 314.351 3.856 50 0 DHAARO Cc1cc2ccccc2n1CC[N@@H+](C)Cc1cncn1C1CC1 ZINC000244787683 563779910 /nfs/dbraw/zinc/77/99/10/563779910.db2.gz QBMMETBICKGXTG-UHFFFAOYSA-N 1 0 308.429 3.613 50 0 DHAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248245776 563782991 /nfs/dbraw/zinc/78/29/91/563782991.db2.gz QJICGVVCXBPWBW-MRXNPFEDSA-N 1 0 320.440 3.882 50 0 DHAARO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182820031 563793902 /nfs/dbraw/zinc/79/39/02/563793902.db2.gz BMJJLJFCUXXSGW-OLZOCXBDSA-N 1 0 324.350 3.695 50 0 DHAARO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000034996001 563795442 /nfs/dbraw/zinc/79/54/42/563795442.db2.gz TYPSIPXFCMDRKB-SNVBAGLBSA-N 1 0 315.244 3.655 50 0 DHAARO CC(C)n1ccnc1-c1cccc(C(=O)NCCc2ccco2)c1 ZINC000299798283 563806531 /nfs/dbraw/zinc/80/65/31/563806531.db2.gz QZCMRHYOVVGZFG-UHFFFAOYSA-N 1 0 323.396 3.697 50 0 DHAARO CCC(CC)NC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299800995 563806956 /nfs/dbraw/zinc/80/69/56/563806956.db2.gz XNXCVEPMYFOAMB-KSZLIROESA-N 1 0 300.446 3.517 50 0 DHAARO c1cc(-c2noc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)n2)cs1 ZINC000012739577 563818852 /nfs/dbraw/zinc/81/88/52/563818852.db2.gz LUWLQDIYACZGME-GXTWGEPZSA-N 1 0 303.431 3.953 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000084714636 563829775 /nfs/dbraw/zinc/82/97/75/563829775.db2.gz XDUMUDSOHQQVSQ-IIYDPXPESA-N 1 0 320.864 3.638 50 0 DHAARO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](CC2CCCCC2)C2CC2)C1 ZINC000084686218 563829928 /nfs/dbraw/zinc/82/99/28/563829928.db2.gz BQYGAOQMYHGSMX-IYBDPMFKSA-N 1 0 306.494 3.536 50 0 DHAARO C[C@@H]1CN(CC[NH2+]Cc2cccc(-c3ccccc3)c2)C[C@@H](C)O1 ZINC000084706322 563830010 /nfs/dbraw/zinc/83/00/10/563830010.db2.gz ZBMDBHYASIVXSV-QZTJIDSGSA-N 1 0 324.468 3.552 50 0 DHAARO CC(C)[NH+](CCNC(=O)c1cc2cc(Cl)ccc2[nH]1)C(C)C ZINC000012907978 563853310 /nfs/dbraw/zinc/85/33/10/563853310.db2.gz APXGOWBRHJNABA-UHFFFAOYSA-N 1 0 321.852 3.670 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000012902141 563853376 /nfs/dbraw/zinc/85/33/76/563853376.db2.gz MKOYFHPBNVLVKW-FQEVSTJZSA-N 1 0 322.452 3.598 50 0 DHAARO O[C@H](C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000229720024 563870959 /nfs/dbraw/zinc/87/09/59/563870959.db2.gz XXXVGSWKBKQDCE-CRAIPNDOSA-N 1 0 301.817 3.863 50 0 DHAARO CC(C)c1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000026781059 563882922 /nfs/dbraw/zinc/88/29/22/563882922.db2.gz JQKCVMHFHDPFRO-XYJFISCASA-N 1 0 305.462 3.813 50 0 DHAARO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCSC1 ZINC000089356055 563884777 /nfs/dbraw/zinc/88/47/77/563884777.db2.gz IPQGVFLXCLXXMU-KRWDZBQOSA-N 1 0 314.454 3.598 50 0 DHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000036100545 563893353 /nfs/dbraw/zinc/89/33/53/563893353.db2.gz PXHSZQCSFDNAIR-LJQANCHMSA-N 1 0 313.441 3.647 50 0 DHAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COC(C)C ZINC000036100044 563893882 /nfs/dbraw/zinc/89/38/82/563893882.db2.gz UJRVHLOCCCJMDG-LJQANCHMSA-N 1 0 307.478 3.629 50 0 DHAARO Cc1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000036104460 563894350 /nfs/dbraw/zinc/89/43/50/563894350.db2.gz IFQOUFWPFDRQEI-IBGZPJMESA-N 1 0 313.441 3.645 50 0 DHAARO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000036429275 563899229 /nfs/dbraw/zinc/89/92/29/563899229.db2.gz MSNKOFCRZPUSKV-GVDBMIGSSA-N 1 0 300.446 3.834 50 0 DHAARO CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000006938266 563900128 /nfs/dbraw/zinc/90/01/28/563900128.db2.gz QBVQZESMPLODGS-UHFFFAOYSA-N 1 0 316.232 3.599 50 0 DHAARO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000007375786 563905476 /nfs/dbraw/zinc/90/54/76/563905476.db2.gz PUPNJSSNPJOWRE-STQMWFEESA-N 1 0 302.443 3.988 50 0 DHAARO COCC[C@@H]1CCCC[N@H+](CCCOc2ccccc2C)C1 ZINC000170597100 563907026 /nfs/dbraw/zinc/90/70/26/563907026.db2.gz KIUQRTOHXBMCGH-SFHVURJKSA-N 1 0 305.462 3.903 50 0 DHAARO COC(CCCC(C)(C)CNc1ccnc(C(C)C)n1)OC ZINC000170603326 563907524 /nfs/dbraw/zinc/90/75/24/563907524.db2.gz UPOGSIKFYAXORN-UHFFFAOYSA-N 1 0 309.454 3.827 50 0 DHAARO c1coc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)o2)c1 ZINC000170612369 563907997 /nfs/dbraw/zinc/90/79/97/563907997.db2.gz IEEZYUITRLTGHI-JKSUJKDBSA-N 1 0 323.396 3.831 50 0 DHAARO Fc1ccccc1CC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000037301173 563908655 /nfs/dbraw/zinc/90/86/55/563908655.db2.gz HBBKYLJTTKIGOZ-UHFFFAOYSA-N 1 0 307.752 3.540 50 0 DHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192967714 563909688 /nfs/dbraw/zinc/90/96/88/563909688.db2.gz UTOWXQLRNWTZFN-XYPHTWIQSA-N 1 0 300.402 3.628 50 0 DHAARO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccncc2)c(Cl)c1 ZINC000089669701 563910887 /nfs/dbraw/zinc/91/08/87/563910887.db2.gz WCFFFFXYJUWWNK-CYBMUJFWSA-N 1 0 317.820 3.723 50 0 DHAARO CC(C)[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1 ZINC000089801781 563911493 /nfs/dbraw/zinc/91/14/93/563911493.db2.gz PCAIFJUIJXCDFA-HXUWFJFHSA-N 1 0 320.440 3.813 50 0 DHAARO O=C(C[N@H+](C1CC1)[C@H]1CCCC[C@H]1C1CCCCC1)N1CCC1 ZINC000089818288 563911541 /nfs/dbraw/zinc/91/15/41/563911541.db2.gz YRVDDIDNXVPRNZ-OALUTQOASA-N 1 0 318.505 3.822 50 0 DHAARO CC(C)[NH+]1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000089885202 563911957 /nfs/dbraw/zinc/91/19/57/563911957.db2.gz UBPLVFWMIFCHHB-UHFFFAOYSA-N 1 0 323.362 3.784 50 0 DHAARO Cc1nc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cs1 ZINC000076108121 563912503 /nfs/dbraw/zinc/91/25/03/563912503.db2.gz DOXMMUZVJAHWGG-SJORKVTESA-N 1 0 302.443 3.540 50 0 DHAARO CC[C@H](C)[NH2+]CCCCOc1ccc(Br)cc1 ZINC000002823727 563913102 /nfs/dbraw/zinc/91/31/02/563913102.db2.gz MASXUXOPBHEMES-LBPRGKRZSA-N 1 0 300.240 3.996 50 0 DHAARO C[C@H](NC(=O)c1cccc(C[NH3+])c1)c1ccc(C(F)(F)F)cc1 ZINC000252503677 563916297 /nfs/dbraw/zinc/91/62/97/563916297.db2.gz VFNFOLJRBACKLT-NSHDSACASA-N 1 0 322.330 3.655 50 0 DHAARO CC[N@H+](CC(=O)Nc1ccccc1)Cc1ccc2[nH]ccc2c1 ZINC000252500916 563916396 /nfs/dbraw/zinc/91/63/96/563916396.db2.gz TZGFTLHRPYDUTQ-UHFFFAOYSA-N 1 0 307.397 3.629 50 0 DHAARO COc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000252510858 563916556 /nfs/dbraw/zinc/91/65/56/563916556.db2.gz CHEFIUIZGVKAAA-WITVHBPWSA-N 1 0 303.446 3.676 50 0 DHAARO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000252516766 563916620 /nfs/dbraw/zinc/91/66/20/563916620.db2.gz WTUXWCSSBUOUSE-SOAMZJECSA-N 1 0 318.505 3.987 50 0 DHAARO CCCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000037619327 563919370 /nfs/dbraw/zinc/91/93/70/563919370.db2.gz OSLLVFGCOKJNNK-NOZJJQNGSA-N 1 0 303.233 3.688 50 0 DHAARO C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000195561948 563919779 /nfs/dbraw/zinc/91/97/79/563919779.db2.gz QHEFRYXQEQFSTI-OAHLLOKOSA-N 1 0 306.413 3.675 50 0 DHAARO CC[NH+](CC)CCOC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000019893874 563923702 /nfs/dbraw/zinc/92/37/02/563923702.db2.gz OSLSWHPYKPEXEI-UHFFFAOYSA-N 1 0 305.205 3.884 50 0 DHAARO C[C@H](c1cccnc1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000253425660 563925065 /nfs/dbraw/zinc/92/50/65/563925065.db2.gz BDBWOJFVZQKCPM-MRXNPFEDSA-N 1 0 318.424 3.513 50 0 DHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccoc1 ZINC000584892436 563925580 /nfs/dbraw/zinc/92/55/80/563925580.db2.gz FLRUJDXGJWMANQ-SFHVURJKSA-N 1 0 312.413 3.627 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000110386629 563927245 /nfs/dbraw/zinc/92/72/45/563927245.db2.gz IDFUZNKFAJDGGG-UHFFFAOYSA-N 1 0 324.193 3.887 50 0 DHAARO Cc1ncn(C[C@H](C)[NH2+][C@@H](c2ccccc2)c2ccccn2)c1C ZINC000095427063 563931621 /nfs/dbraw/zinc/93/16/21/563931621.db2.gz GMKJMPDXEJKZPA-YWZLYKJASA-N 1 0 320.440 3.663 50 0 DHAARO Fc1ccc([C@@H](Cn2ccnc2)[NH2+]Cc2ccsc2)cc1 ZINC000096013568 563934814 /nfs/dbraw/zinc/93/48/14/563934814.db2.gz PFRQRRKBTIMSBZ-MRXNPFEDSA-N 1 0 301.390 3.615 50 0 DHAARO Fc1ccc(C2CC([NH2+]CCc3ccc4c(c3)OCO4)C2)cc1 ZINC000096008898 563934962 /nfs/dbraw/zinc/93/49/62/563934962.db2.gz VESZYBGFYOUHNC-UHFFFAOYSA-N 1 0 313.372 3.633 50 0 DHAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]c1=O ZINC000097201671 563937799 /nfs/dbraw/zinc/93/77/99/563937799.db2.gz HNYCDJKCINCFKC-IBGZPJMESA-N 1 0 319.408 3.569 50 0 DHAARO C[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000097132245 563937819 /nfs/dbraw/zinc/93/78/19/563937819.db2.gz JMBDWKKGOUZKHY-QGZVFWFLSA-N 1 0 308.425 3.596 50 0 DHAARO CC(C)[C@H]([NH2+]C1CCCCC1)c1nc(-c2cccnc2)no1 ZINC000162815630 563941742 /nfs/dbraw/zinc/94/17/42/563941742.db2.gz IXMBORLHSKPGLU-HNNXBMFYSA-N 1 0 300.406 3.751 50 0 DHAARO c1csc(N2CCC[N@@H+]([C@@H]3CCCc4ccccc43)CC2)n1 ZINC000068254842 563951203 /nfs/dbraw/zinc/95/12/03/563951203.db2.gz DIBIIPNEWVIFBK-QGZVFWFLSA-N 1 0 313.470 3.733 50 0 DHAARO Cc1ccc(/C=C/C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000069413821 563952895 /nfs/dbraw/zinc/95/28/95/563952895.db2.gz JEAKQOQKPULJHX-FMQWLBJXSA-N 1 0 314.473 3.635 50 0 DHAARO CC[NH+](CC)C1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000069453058 563952980 /nfs/dbraw/zinc/95/29/80/563952980.db2.gz YHWAIBTXSMZZOT-UHFFFAOYSA-N 1 0 313.445 3.648 50 0 DHAARO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000069529441 563953156 /nfs/dbraw/zinc/95/31/56/563953156.db2.gz IHRKRSJTDORLMY-UHFFFAOYSA-N 1 0 303.450 3.581 50 0 DHAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cc(-c3ccccc3)no2)c1 ZINC000069520684 563953133 /nfs/dbraw/zinc/95/31/33/563953133.db2.gz DDRSUZLRZIGMMB-LSDHHAIUSA-N 1 0 310.401 3.586 50 0 DHAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CCCc2nc3ccccc3o2)c1 ZINC000069655247 563954009 /nfs/dbraw/zinc/95/40/09/563954009.db2.gz VAOQJDSUQCONNZ-CABCVRRESA-N 1 0 312.417 3.505 50 0 DHAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000069814990 563954701 /nfs/dbraw/zinc/95/47/01/563954701.db2.gz ANOQGVUQBXHHJQ-OLZOCXBDSA-N 1 0 316.430 3.647 50 0 DHAARO CC(C)[C@@H](C)CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000069808791 563954748 /nfs/dbraw/zinc/95/47/48/563954748.db2.gz JQTCZLQXTHIPNN-HNNXBMFYSA-N 1 0 317.477 3.813 50 0 DHAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000070040115 563955725 /nfs/dbraw/zinc/95/57/25/563955725.db2.gz UWYALZPYAUNLIH-KRWDZBQOSA-N 1 0 322.412 3.511 50 0 DHAARO c1nnc(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)[nH]1 ZINC000365919840 563961857 /nfs/dbraw/zinc/96/18/57/563961857.db2.gz MQPFAQMOPTZOLV-UHFFFAOYSA-N 1 0 318.424 3.851 50 0 DHAARO Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000045950354 568415444 /nfs/dbraw/zinc/41/54/44/568415444.db2.gz DVBGIHOQNNXRLR-MRXNPFEDSA-N 1 0 317.477 3.937 50 0 DHAARO C[C@@H](Cc1ccccc1)[NH2+]CCC[NH2+][C@@H](C)Cc1ccccc1 ZINC000003058772 568416805 /nfs/dbraw/zinc/41/68/05/568416805.db2.gz XDCNUKURGSLYKZ-OALUTQOASA-N 1 0 310.485 3.818 50 0 DHAARO COC(=O)c1oc([C@H](C)[N@H+](C)Cc2ccc(C)cc2)cc1C ZINC000089632264 568420244 /nfs/dbraw/zinc/42/02/44/568420244.db2.gz GRTWOOLMVFTKCJ-AWEZNQCLSA-N 1 0 301.386 3.876 50 0 DHAARO CC(C)(C)[C@@H](NC(=O)c1ccn2c[nH+]cc2c1)c1ccccc1 ZINC000089621633 568420303 /nfs/dbraw/zinc/42/03/03/568420303.db2.gz VKUNYDPECUSIBY-KRWDZBQOSA-N 1 0 307.397 3.852 50 0 DHAARO COc1cccc([C@@H](O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000000406098 568421602 /nfs/dbraw/zinc/42/16/02/568421602.db2.gz OWPDNPXNAVGVSB-FQEVSTJZSA-N 1 0 311.425 3.641 50 0 DHAARO CC(=O)Nc1ccccc1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000290247380 1014902121 /nfs/dbraw/zinc/90/21/21/1014902121.db2.gz VJFQFRNBDKFSJT-UHFFFAOYSA-N 1 0 324.424 3.818 50 0 DHAARO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000248574757 1015400563 /nfs/dbraw/zinc/40/05/63/1015400563.db2.gz NAODRTDKUWYMRL-BPQIPLTHSA-N 1 0 320.521 3.924 50 0 DHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)C2CC=CC2)cc1 ZINC000952861854 1032663405 /nfs/dbraw/zinc/66/34/05/1032663405.db2.gz LICZFNMNMPAGMQ-LJQANCHMSA-N 1 0 312.457 3.768 50 0 DHAARO Cc1cc(NCC(C)(C)[NH+]2CCCC2)nc2cc(F)ccc12 ZINC000952860067 1032665707 /nfs/dbraw/zinc/66/57/07/1032665707.db2.gz BWCYXUOGTZAOLS-UHFFFAOYSA-N 1 0 301.409 3.969 50 0 DHAARO Cc1ccc(F)c(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1F ZINC000952869895 1032669386 /nfs/dbraw/zinc/66/93/86/1032669386.db2.gz ONASXXYGQRNSRW-HNNXBMFYSA-N 1 0 307.388 3.674 50 0 DHAARO O=C(C[NH+]1CCCCCC1)N(Cc1ccccc1)C1CCCC1 ZINC000952864859 1032670476 /nfs/dbraw/zinc/67/04/76/1032670476.db2.gz MXHGZZPUXFCRTC-UHFFFAOYSA-N 1 0 314.473 3.834 50 0 DHAARO COc1ccc(-n2cccn2)c(C[NH2+][C@H](C)C2=CCCCC2)c1 ZINC000952986861 1032681929 /nfs/dbraw/zinc/68/19/29/1032681929.db2.gz IVLOLFULSZTPGN-OAHLLOKOSA-N 1 0 311.429 3.859 50 0 DHAARO CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccc(C)c(F)c3F)C2)C1 ZINC000952983642 1032682218 /nfs/dbraw/zinc/68/22/18/1032682218.db2.gz UMFZOBCHHIOCPD-IBGZPJMESA-N 1 0 322.443 3.971 50 0 DHAARO OCC[NH2+]CCCCCCOc1cccc(Cl)c1Cl ZINC000002901819 1017179959 /nfs/dbraw/zinc/17/99/59/1017179959.db2.gz KZDGHXVEYAQQLM-UHFFFAOYSA-N 1 0 306.233 3.515 50 0 DHAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC001506430457 1032730466 /nfs/dbraw/zinc/73/04/66/1032730466.db2.gz BBBFSFQVKSOOCC-SNVBAGLBSA-N 1 0 317.260 3.776 50 0 DHAARO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc2ccncc2s1 ZINC000657975675 1020056200 /nfs/dbraw/zinc/05/62/00/1020056200.db2.gz CZQYBXZHRWQWNL-GWCFXTLKSA-N 1 0 304.440 3.742 50 0 DHAARO C[C@H](COc1ccccc1)[NH2+]CC1(N2CCCCC2)CCCC1 ZINC000821376742 1020249057 /nfs/dbraw/zinc/24/90/57/1020249057.db2.gz ANGFXEMTBVNNAR-GOSISDBHSA-N 1 0 316.489 3.842 50 0 DHAARO C[C@H](Cc1cccs1)NC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000821772403 1020271189 /nfs/dbraw/zinc/27/11/89/1020271189.db2.gz BDVLURXVKJMGMY-OAHLLOKOSA-N 1 0 320.502 3.594 50 0 DHAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023280735 1020473221 /nfs/dbraw/zinc/47/32/21/1020473221.db2.gz JPXWTDOUGVVMTG-RWMBFGLXSA-N 1 0 301.352 3.746 50 0 DHAARO CCC(CC)C[N@@H+]1CC[C@@H](n2c(C)cnc2C2CCOCC2)C1 ZINC000575547998 1020975430 /nfs/dbraw/zinc/97/54/30/1020975430.db2.gz DZMNOUBNEDUIRJ-GOSISDBHSA-N 1 0 319.493 3.769 50 0 DHAARO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CC1CCOCC1)CC2 ZINC000178282760 1021562444 /nfs/dbraw/zinc/56/24/44/1021562444.db2.gz AGRQCFWPXJSLNN-HNNXBMFYSA-N 1 0 315.335 3.589 50 0 DHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)C2CCCC2)CC1 ZINC000581787883 1021834479 /nfs/dbraw/zinc/83/44/79/1021834479.db2.gz GSKZRADFNDIKHD-GOSISDBHSA-N 1 0 306.494 3.680 50 0 DHAARO C[C@@]1(COc2ccncc2)CCC[N@H+](Cc2ccccc2F)C1 ZINC000257188968 1022247477 /nfs/dbraw/zinc/24/74/77/1022247477.db2.gz NHMBRURYHMOBFM-LJQANCHMSA-N 1 0 314.404 3.902 50 0 DHAARO CCc1ccc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)nc1 ZINC000257371831 1022556438 /nfs/dbraw/zinc/55/64/38/1022556438.db2.gz DVURGHNQKDZXNP-HXUWFJFHSA-N 1 0 315.505 3.586 50 0 DHAARO O=C(CCC(F)(F)F)Nc1ccccc1C[NH+]1CCCC1 ZINC000079542578 1023198858 /nfs/dbraw/zinc/19/88/58/1023198858.db2.gz GLJCBFJKHNZSFL-UHFFFAOYSA-N 1 0 300.324 3.563 50 0 DHAARO CC(C)[N@H+](Cc1csc([C@@H]2CCCO2)n1)[C@H]1CCCC[C@@H]1O ZINC000108373122 1023550297 /nfs/dbraw/zinc/55/02/97/1023550297.db2.gz BODNXNGDKXODRO-JYJNAYRXSA-N 1 0 324.490 3.509 50 0 DHAARO CCOC(=O)c1ccoc1CN1CCC[C@H]1c1ccsc1 ZINC000046088423 1023663455 /nfs/dbraw/zinc/66/34/55/1023663455.db2.gz JNMMWMJCBAUWMT-AWEZNQCLSA-N 1 0 305.399 3.855 50 0 DHAARO COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000004982720 1024151313 /nfs/dbraw/zinc/15/13/13/1024151313.db2.gz ARZOOODAWDOBHI-GOSISDBHSA-N 1 0 310.397 3.595 50 0 DHAARO C[N@H+](CCc1ccccn1)Cc1ccc2cccc(Cl)c2n1 ZINC000215821031 1024524577 /nfs/dbraw/zinc/52/45/77/1024524577.db2.gz IBFNMTJBPSEPNA-UHFFFAOYSA-N 1 0 311.816 3.958 50 0 DHAARO CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc3cc(Cl)ccc3n1)C2 ZINC000102768860 1024540592 /nfs/dbraw/zinc/54/05/92/1024540592.db2.gz AJPREOYUOUIFLW-UOIKSKOESA-N 1 0 316.832 3.745 50 0 DHAARO OCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)c1ccccc1 ZINC000863983404 1028157210 /nfs/dbraw/zinc/15/72/10/1028157210.db2.gz GYXDNUIXIDWRSI-SFHLNBCPSA-N 1 0 324.468 3.549 50 0 DHAARO CCCN(CC[NH+]1CCCC1)C(=O)c1cc2cccc(F)c2o1 ZINC000585082350 1029626801 /nfs/dbraw/zinc/62/68/01/1029626801.db2.gz HHVRKAVVNMQOQQ-UHFFFAOYSA-N 1 0 318.392 3.520 50 0 DHAARO C[NH2+]CCCCn1cnc(-c2ccccc2)c1-c1ccc(O)cc1 ZINC000065492943 1034114774 /nfs/dbraw/zinc/11/47/74/1034114774.db2.gz RPGDXSLRXWKVJQ-UHFFFAOYSA-N 1 0 321.424 3.922 50 0 DHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1C1CCC1 ZINC000102876074 1034665287 /nfs/dbraw/zinc/66/52/87/1034665287.db2.gz UDYUZIVHFBRLNG-IBGZPJMESA-N 1 0 312.457 3.687 50 0 DHAARO C[NH+](C)CCCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000036613356 1035076897 /nfs/dbraw/zinc/07/68/97/1035076897.db2.gz FLIUKRTYWAXKBE-UHFFFAOYSA-N 1 0 324.350 3.584 50 0 DHAARO Cc1cc(C)cc(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000014903402 1036082624 /nfs/dbraw/zinc/08/26/24/1036082624.db2.gz RTSAKYDQNUKHQU-UHFFFAOYSA-N 1 0 302.462 3.688 50 0 DHAARO Clc1ccccc1-c1cnc(C[N@@H+]2CC[C@@]3(CCOC3)C2)o1 ZINC000153723241 1037173824 /nfs/dbraw/zinc/17/38/24/1037173824.db2.gz BAJODZHOMWZGIK-QGZVFWFLSA-N 1 0 318.804 3.607 50 0 DHAARO CCOc1ccccc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000078940969 185132414 /nfs/dbraw/zinc/13/24/14/185132414.db2.gz QGHMATYUKKVXJG-QGZVFWFLSA-N 1 0 314.429 3.605 50 0 DHAARO Cc1noc(CCC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000078970998 185137252 /nfs/dbraw/zinc/13/72/52/185137252.db2.gz WHNBNJYPCKYWTM-BLLLJJGKSA-N 1 0 315.417 3.692 50 0 DHAARO CC(C)C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1 ZINC000079015303 185146295 /nfs/dbraw/zinc/14/62/95/185146295.db2.gz IDPFXIURGIFVBL-LJQANCHMSA-N 1 0 310.441 3.793 50 0 DHAARO CSCc1ccc(N2CCC[C@@H](C[NH+]3CCCCC3)C2)nc1 ZINC000082166447 185174251 /nfs/dbraw/zinc/17/42/51/185174251.db2.gz YETLXLRZUZVWEV-KRWDZBQOSA-N 1 0 319.518 3.647 50 0 DHAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000082108798 192356705 /nfs/dbraw/zinc/35/67/05/192356705.db2.gz UYNNBVOHUZHBAS-AWEZNQCLSA-N 1 0 323.362 3.819 50 0 DHAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000095402461 185354738 /nfs/dbraw/zinc/35/47/38/185354738.db2.gz SWYSHFYEMCJEEY-VCBZYWHSSA-N 1 0 316.489 3.892 50 0 DHAARO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)Cc1ccsc1 ZINC000095419324 185359672 /nfs/dbraw/zinc/35/96/72/185359672.db2.gz JYLDHIHPOQQMMP-CQSZACIVSA-N 1 0 302.443 3.524 50 0 DHAARO C[C@H]([NH2+]CCCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000095419173 185359944 /nfs/dbraw/zinc/35/99/44/185359944.db2.gz FWNXXRRWMUETGI-BTYIYWSLSA-N 1 0 301.455 3.707 50 0 DHAARO C[C@@H]([NH2+]C1CCOCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000095420271 185360103 /nfs/dbraw/zinc/36/01/03/185360103.db2.gz IJNAMFYJFOFPCF-OAHLLOKOSA-N 1 0 324.424 3.769 50 0 DHAARO COC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)cc1 ZINC000095420444 185360269 /nfs/dbraw/zinc/36/02/69/185360269.db2.gz RHUNSMDWSBNVDR-NSHDSACASA-N 1 0 320.339 3.994 50 0 DHAARO COc1ccccc1C1(C[NH2+][C@H](C)c2cnccn2)CCCC1 ZINC000095420731 185360416 /nfs/dbraw/zinc/36/04/16/185360416.db2.gz OWQTWIZOADOGHD-OAHLLOKOSA-N 1 0 311.429 3.648 50 0 DHAARO C[C@H](Cc1ccsc1)[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000095421848 185360955 /nfs/dbraw/zinc/36/09/55/185360955.db2.gz OJIAIZNLXJXFOR-GFCCVEGCSA-N 1 0 321.417 3.517 50 0 DHAARO CC(C)c1ccc(/C=C/CC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000095450366 185368760 /nfs/dbraw/zinc/36/87/60/185368760.db2.gz BSSZSEVSHWQANN-SQRWCISFSA-N 1 0 314.473 3.812 50 0 DHAARO COC(=O)CC1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000095453403 185369560 /nfs/dbraw/zinc/36/95/60/185369560.db2.gz ZNWCPXSYALLPKP-IRXDYDNUSA-N 1 0 301.430 3.646 50 0 DHAARO C[C@@H](C[C@H](C)[NH2+]CCc1ccccc1F)NC(=O)OC(C)(C)C ZINC000095455501 185369899 /nfs/dbraw/zinc/36/98/99/185369899.db2.gz OEFKDZZTXCQPOH-KBPBESRZSA-N 1 0 324.440 3.650 50 0 DHAARO Clc1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1Cl ZINC000095459516 185370621 /nfs/dbraw/zinc/37/06/21/185370621.db2.gz WPYXOBZUBNQDCK-GFCCVEGCSA-N 1 0 316.228 3.769 50 0 DHAARO COc1cccc(C[C@H](C)[NH2+]Cc2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000067982106 190741499 /nfs/dbraw/zinc/74/14/99/190741499.db2.gz AOQVSGGXACTGSD-HNNXBMFYSA-N 1 0 323.440 3.909 50 0 DHAARO CC[N@@H+]1CC[C@@H](N(C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000071769281 191029871 /nfs/dbraw/zinc/02/98/71/191029871.db2.gz KRDBFLFYOFKQKD-GOSISDBHSA-N 1 0 309.413 3.819 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000072117755 191039116 /nfs/dbraw/zinc/03/91/16/191039116.db2.gz AVSXQKVXXSQBMQ-ZIAGYGMSSA-N 1 0 323.868 3.830 50 0 DHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)C1 ZINC000237445245 186289846 /nfs/dbraw/zinc/28/98/46/186289846.db2.gz NCZUIKOAHMTTGZ-RDJZCZTQSA-N 1 0 308.425 3.553 50 0 DHAARO CC[NH+](CC)CCN(Cc1c(C)noc1C)Cc1ccccc1 ZINC000072308258 191118950 /nfs/dbraw/zinc/11/89/50/191118950.db2.gz FZBXTYQXUJYBFW-UHFFFAOYSA-N 1 0 315.461 3.635 50 0 DHAARO c1cn([C@@H]2CC[NH2+]C2)c(-c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000072429348 191163684 /nfs/dbraw/zinc/16/36/84/191163684.db2.gz UQZXJNFADAITPN-QGZVFWFLSA-N 1 0 301.393 3.656 50 0 DHAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072453463 191171590 /nfs/dbraw/zinc/17/15/90/191171590.db2.gz PVEIPQDOFXHKTR-INIZCTEOSA-N 1 0 312.457 3.978 50 0 DHAARO Cc1cc2cccc(C(=O)N3CCCC[C@H]3CC[NH+](C)C)c2o1 ZINC000072473627 191175973 /nfs/dbraw/zinc/17/59/73/191175973.db2.gz OYGQVBRSJFTOMS-INIZCTEOSA-N 1 0 314.429 3.688 50 0 DHAARO C[N@H+](Cc1cc(F)cc2cccnc21)[C@@H](CCO)c1ccccc1 ZINC000072773177 191227201 /nfs/dbraw/zinc/22/72/01/191227201.db2.gz GUVJOHOAEPVRAY-IBGZPJMESA-N 1 0 324.399 3.929 50 0 DHAARO CC1(C)C[C@](CC[NH3+])(c2cccc(C(F)(F)F)c2)CCO1 ZINC000002416163 180923431 /nfs/dbraw/zinc/92/34/31/180923431.db2.gz CFLWWOUJHSGOBX-OAHLLOKOSA-N 1 0 301.352 3.881 50 0 DHAARO CCC[C@@H](Cc1ccccc1)C(=O)OCC(C)(C)C[NH+](C)C ZINC000002998542 180976153 /nfs/dbraw/zinc/97/61/53/180976153.db2.gz FZHTXISFMCZHLX-KRWDZBQOSA-N 1 0 305.462 3.776 50 0 DHAARO Cc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000003338312 181008350 /nfs/dbraw/zinc/00/83/50/181008350.db2.gz CJHGXPOGHWPUIO-GFCCVEGCSA-N 1 0 320.795 3.904 50 0 DHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000004027758 181064225 /nfs/dbraw/zinc/06/42/25/181064225.db2.gz OGSUSYWHICVFPZ-XJKSGUPXSA-N 1 0 307.821 3.761 50 0 biogenic DHAARO O[C@]12CCCC[C@@H]1[C@H](c1c(Cl)cccc1Cl)[NH2+]CC2 ZINC000004031363 181065219 /nfs/dbraw/zinc/06/52/19/181065219.db2.gz ADCRKOWUVHTZCP-KMUNFCNLSA-N 1 0 300.229 3.949 50 0 biogenic DHAARO Cc1cc(CSC(N)=[NH2+])c2oc(-c3ccccc3)cc(=O)c2c1 ZINC000004099537 181073301 /nfs/dbraw/zinc/07/33/01/181073301.db2.gz MHQZKSKFGQHELB-UHFFFAOYSA-N 1 0 324.405 3.895 50 0 DHAARO CC[N@H+](Cc1ccncc1)Cc1ccc(Br)cc1 ZINC000004676932 181135301 /nfs/dbraw/zinc/13/53/01/181135301.db2.gz IJMSRENJAYRLKG-UHFFFAOYSA-N 1 0 305.219 3.866 50 0 DHAARO C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942920 181176758 /nfs/dbraw/zinc/17/67/58/181176758.db2.gz PBINHKISSDLYSG-SECBINFHSA-N 1 0 300.185 3.724 50 0 DHAARO C[NH+](C)CCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942970 181176827 /nfs/dbraw/zinc/17/68/27/181176827.db2.gz YIQFCULBVMFGTR-UHFFFAOYSA-N 1 0 310.800 3.780 50 0 DHAARO CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](O)C2)cc(C(C)(C)C)c1O ZINC000004990174 181185717 /nfs/dbraw/zinc/18/57/17/181185717.db2.gz FUQNVSQQCQUZOK-OAHLLOKOSA-N 1 0 319.489 3.944 50 0 DHAARO CC[C@H]1CCCC[N@@H+]1CC(=O)c1c(C)[nH]c2ccc(OC)cc21 ZINC000005024852 181192043 /nfs/dbraw/zinc/19/20/43/181192043.db2.gz ICQLMOAFMAOMME-AWEZNQCLSA-N 1 0 314.429 3.932 50 0 DHAARO COc1ccc2[nH]c(C)c(C(=O)C[N@@H+]3CCCC[C@H]3C)c2c1 ZINC000005030359 181192976 /nfs/dbraw/zinc/19/29/76/181192976.db2.gz LSTJUJINCBOIHO-GFCCVEGCSA-N 1 0 300.402 3.542 50 0 DHAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccccc1C(C)(C)C ZINC000005049800 181196739 /nfs/dbraw/zinc/19/67/39/181196739.db2.gz HNHQAOOBEYWCDN-ZACQAIPSSA-N 1 0 319.489 3.987 50 0 DHAARO CCc1nc2c3ccccc3oc2c(NCC[NH+](CC)CC)n1 ZINC000005218820 181218293 /nfs/dbraw/zinc/21/82/93/181218293.db2.gz FWQDORFQQQGUON-UHFFFAOYSA-N 1 0 312.417 3.692 50 0 DHAARO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2cccc(O)c2)n1 ZINC000194931706 201313062 /nfs/dbraw/zinc/31/30/62/201313062.db2.gz DOKGOHMVCCNXLH-HNNXBMFYSA-N 1 0 307.397 3.737 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000006725664 181377625 /nfs/dbraw/zinc/37/76/25/181377625.db2.gz KFQRDWWPWCOGNM-RYUDHWBXSA-N 1 0 314.351 3.622 50 0 DHAARO Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000006729168 181378428 /nfs/dbraw/zinc/37/84/28/181378428.db2.gz YICZNHYXCVBUIM-UHFFFAOYSA-N 1 0 323.440 3.781 50 0 DHAARO CCc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006741273 181380403 /nfs/dbraw/zinc/38/04/03/181380403.db2.gz SSNJLIUTFJNJOZ-UHFFFAOYSA-N 1 0 315.461 3.731 50 0 DHAARO C[C@@H]1C(=O)CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]12 ZINC000257355999 203068327 /nfs/dbraw/zinc/06/83/27/203068327.db2.gz FBSPYDKHZVACEY-TVFIUFHYSA-N 1 0 308.425 3.702 50 0 DHAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCC2(CCCC2)C1 ZINC000095365323 193433132 /nfs/dbraw/zinc/43/31/32/193433132.db2.gz MGBHEYCVISSFNP-SFHVURJKSA-N 1 0 312.457 3.560 50 0 DHAARO Cc1cc([C@H]([NH2+]Cc2ccnc(N(C)C)n2)C(C)C)c(C)s1 ZINC000095988220 193480185 /nfs/dbraw/zinc/48/01/85/193480185.db2.gz BMGHJVPUEPIYSU-MRXNPFEDSA-N 1 0 318.490 3.708 50 0 DHAARO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063556 181599391 /nfs/dbraw/zinc/59/93/91/181599391.db2.gz CHXCBEZNSUAWRJ-UHFFFAOYSA-N 1 0 312.388 3.676 50 0 DHAARO Clc1ccc(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000097288738 193704589 /nfs/dbraw/zinc/70/45/89/193704589.db2.gz LHGSKMYRXOTURD-CVEARBPZSA-N 1 0 316.832 3.926 50 0 DHAARO O=C(CCC1CC[NH+](CCCC2CCCC2)CC1)NC1CC1 ZINC000015074785 181987173 /nfs/dbraw/zinc/98/71/73/181987173.db2.gz DKQYITFZUGDCCX-UHFFFAOYSA-N 1 0 306.494 3.728 50 0 DHAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(O)c2)cc1 ZINC000015836942 182020215 /nfs/dbraw/zinc/02/02/15/182020215.db2.gz ZWARLLURPHMZTF-QGZVFWFLSA-N 1 0 313.397 3.747 50 0 DHAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2F)c(C)c1 ZINC000016353714 182042075 /nfs/dbraw/zinc/04/20/75/182042075.db2.gz SJGAQAQUOFQQAO-OAHLLOKOSA-N 1 0 314.404 3.902 50 0 DHAARO Cc1cccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000016606446 182053195 /nfs/dbraw/zinc/05/31/95/182053195.db2.gz MZSAIOONZVPBPU-UHFFFAOYSA-N 1 0 314.473 3.656 50 0 DHAARO CC1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000017053995 182072293 /nfs/dbraw/zinc/07/22/93/182072293.db2.gz OMYUVOCSWOFXBC-UHFFFAOYSA-N 1 0 316.426 3.771 50 0 DHAARO CCOc1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019359662 182118682 /nfs/dbraw/zinc/11/86/82/182118682.db2.gz CFSBYLBRWKJABK-GOSISDBHSA-N 1 0 314.473 3.559 50 0 DHAARO CC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019499999 182126212 /nfs/dbraw/zinc/12/62/12/182126212.db2.gz SEZBPXGYGXVRJL-MRXNPFEDSA-N 1 0 322.452 3.773 50 0 DHAARO Clc1ccccc1OC1CC[NH+](CCc2ccccn2)CC1 ZINC000019595507 182133324 /nfs/dbraw/zinc/13/33/24/182133324.db2.gz BMNDFWQLWYMSGX-UHFFFAOYSA-N 1 0 316.832 3.821 50 0 DHAARO Cc1ccccc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000019771270 182145142 /nfs/dbraw/zinc/14/51/42/182145142.db2.gz SGOWAVDVXWZXJE-UHFFFAOYSA-N 1 0 324.512 3.937 50 0 DHAARO Fc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000019842470 182155647 /nfs/dbraw/zinc/15/56/47/182155647.db2.gz NQZRCBYSGCLKDD-UHFFFAOYSA-N 1 0 312.432 3.576 50 0 DHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ccc(F)cc3)c2c1 ZINC000019798229 182150866 /nfs/dbraw/zinc/15/08/66/182150866.db2.gz NERBHMRYVPQZRO-UHFFFAOYSA-N 1 0 312.388 3.956 50 0 DHAARO CN1CC[NH+](CCCCOc2ccccc2-c2ccccc2)CC1 ZINC000020118527 182189138 /nfs/dbraw/zinc/18/91/38/182189138.db2.gz ZPRZGEJEFRDCKP-UHFFFAOYSA-N 1 0 324.468 3.760 50 0 DHAARO CC[NH+]1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020406450 182214822 /nfs/dbraw/zinc/21/48/22/182214822.db2.gz RFLMDZCYHCLEGJ-UHFFFAOYSA-N 1 0 324.468 3.760 50 0 DHAARO Cc1nccn1CCC[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000020406537 182215233 /nfs/dbraw/zinc/21/52/33/182215233.db2.gz FPDLTWWMJGKDTP-UHFFFAOYSA-N 1 0 307.441 3.642 50 0 DHAARO O=C(C[C@H]1[NH2+]CCc2ccccc21)Nc1ccccc1Cl ZINC000020404871 182215359 /nfs/dbraw/zinc/21/53/59/182215359.db2.gz ABJDZBPTRZYDHL-MRXNPFEDSA-N 1 0 300.789 3.556 50 0 DHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3cccc(F)c3)c2c1 ZINC000020436674 182216897 /nfs/dbraw/zinc/21/68/97/182216897.db2.gz OPJXOMXBTNWHHU-UHFFFAOYSA-N 1 0 312.388 3.956 50 0 DHAARO Clc1cccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000020437271 182217974 /nfs/dbraw/zinc/21/79/74/182217974.db2.gz OIDXZLIXHSLXJS-MRXNPFEDSA-N 1 0 304.865 3.814 50 0 DHAARO CCOc1cc2c(cc1OC)[C@@H](c1ccc(F)c(F)c1)[NH2+]CC2 ZINC000020506894 182225540 /nfs/dbraw/zinc/22/55/40/182225540.db2.gz UDCZEDUWHLWAPI-GOSISDBHSA-N 1 0 319.351 3.607 50 0 biogenic DHAARO Clc1c(OCCCN2CCOCC2)ccc2ccccc21 ZINC000020639401 182240835 /nfs/dbraw/zinc/24/08/35/182240835.db2.gz ANEKOQUGHACQKW-UHFFFAOYSA-N 1 0 305.805 3.594 50 0 DHAARO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c(C)c1 ZINC000021175254 182268340 /nfs/dbraw/zinc/26/83/40/182268340.db2.gz NXGWUWNENBAVNT-INIZCTEOSA-N 1 0 315.461 3.689 50 0 DHAARO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 ZINC000021918361 182298424 /nfs/dbraw/zinc/29/84/24/182298424.db2.gz KBOWDIBQQFDXMY-UHFFFAOYSA-N 1 0 312.413 3.546 50 0 DHAARO CCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000022078720 182308641 /nfs/dbraw/zinc/30/86/41/182308641.db2.gz FVMXKUBHEQLGFD-KRWDZBQOSA-N 1 0 316.445 3.605 50 0 DHAARO c1[nH]nc2ccc(NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000023549779 182362940 /nfs/dbraw/zinc/36/29/40/182362940.db2.gz GURWIHFJWAKPGX-UHFFFAOYSA-N 1 0 306.413 3.639 50 0 DHAARO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)NCc1cccs1 ZINC000024985722 182397694 /nfs/dbraw/zinc/39/76/94/182397694.db2.gz OYZDIASZDFTYCR-VXGBXAGGSA-N 1 0 322.861 3.757 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 ZINC000025329756 182409664 /nfs/dbraw/zinc/40/96/64/182409664.db2.gz YQYISKFWOAWNPE-CQSZACIVSA-N 1 0 314.410 3.527 50 0 DHAARO Cc1sc2ncn(C3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)c2c1C ZINC000032519470 182646039 /nfs/dbraw/zinc/64/60/39/182646039.db2.gz NZKIFYFXOAMVQD-UHFFFAOYSA-N 1 0 319.474 3.557 50 0 DHAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccccc1 ZINC000040002684 183027737 /nfs/dbraw/zinc/02/77/37/183027737.db2.gz OHCMDCOUVYMADX-WMLDXEAASA-N 1 0 316.470 3.740 50 0 DHAARO Cc1cc(NCc2ccc3c(c2)OCCO3)c2ccccc2[nH+]1 ZINC000040047093 183029924 /nfs/dbraw/zinc/02/99/24/183029924.db2.gz USQVMMJROPSLSI-UHFFFAOYSA-N 1 0 306.365 3.927 50 0 DHAARO O=C(Cc1ccccc1F)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000040086934 183032123 /nfs/dbraw/zinc/03/21/23/183032123.db2.gz RKXYLNPUGABJBM-UHFFFAOYSA-N 1 0 312.388 3.603 50 0 DHAARO [NH3+]CCCc1csc(-c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000040566674 183103976 /nfs/dbraw/zinc/10/39/76/183103976.db2.gz CUYOQVNXWSJVKF-UHFFFAOYSA-N 1 0 304.312 3.859 50 0 DHAARO CCc1cc(Br)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770198 183307205 /nfs/dbraw/zinc/30/72/05/183307205.db2.gz MBFYWHWBQSQWJE-LBPRGKRZSA-N 1 0 312.251 3.780 50 0 DHAARO Brc1ccc(O[C@@H]2CC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042774912 183307808 /nfs/dbraw/zinc/30/78/08/183307808.db2.gz FZADDFYCHGUDIM-CQSZACIVSA-N 1 0 318.214 3.857 50 0 DHAARO CC(C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774717 183308041 /nfs/dbraw/zinc/30/80/41/183308041.db2.gz GVYYXJYEMSSNNV-LBPRGKRZSA-N 1 0 312.251 3.951 50 0 DHAARO C[C@@H](NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc2ccccc2o1 ZINC000105765296 194124804 /nfs/dbraw/zinc/12/48/04/194124804.db2.gz GOERPSNRBVKGSI-RBSFLKMASA-N 1 0 314.429 3.588 50 0 DHAARO O=C(CCC1CCCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000057288281 184032023 /nfs/dbraw/zinc/03/20/23/184032023.db2.gz RYMPBFXVBIFCEW-MRXNPFEDSA-N 1 0 320.502 3.972 50 0 DHAARO Cc1ccc(C)c(NC(=O)C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000058171223 184084561 /nfs/dbraw/zinc/08/45/61/184084561.db2.gz UKVOCCWSSMMAOV-UHFFFAOYSA-N 1 0 302.805 3.685 50 0 DHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000058183293 184085369 /nfs/dbraw/zinc/08/53/69/184085369.db2.gz WAJMXFRMRUIJBO-QGZVFWFLSA-N 1 0 315.461 3.662 50 0 DHAARO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058218590 184089858 /nfs/dbraw/zinc/08/98/58/184089858.db2.gz YDAPBHRJLCKNNR-UHFFFAOYSA-N 1 0 322.412 3.753 50 0 DHAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000064053584 184292176 /nfs/dbraw/zinc/29/21/76/184292176.db2.gz RSFHCLPDFWOTOY-GFCCVEGCSA-N 1 0 310.426 3.759 50 0 DHAARO Cc1cc(-n2nc(CCc3ccccc3)nc2C2CC2)cc[nH+]1 ZINC000065394616 184334393 /nfs/dbraw/zinc/33/43/93/184334393.db2.gz AGESVOCUXWRYGS-UHFFFAOYSA-N 1 0 304.397 3.633 50 0 DHAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1cc2c(cc1Cl)OCO2 ZINC000065383890 184332580 /nfs/dbraw/zinc/33/25/80/184332580.db2.gz ODKHFUMAXAQNDM-LBPRGKRZSA-N 1 0 318.804 3.527 50 0 DHAARO CC(=O)NCC1=CCC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000065432941 184344010 /nfs/dbraw/zinc/34/40/10/184344010.db2.gz HIGJXEZNOCEOPO-UHFFFAOYSA-N 1 0 320.436 3.544 50 0 DHAARO CC(C)(C)c1n[nH]cc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000065462991 184349479 /nfs/dbraw/zinc/34/94/79/184349479.db2.gz GQXVPEMSJRARJA-UHFFFAOYSA-N 1 0 303.372 3.918 50 0 DHAARO COc1cccc(NC(=O)c2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000065465684 184350030 /nfs/dbraw/zinc/35/00/30/184350030.db2.gz KWFNWGJPULYHTK-UHFFFAOYSA-N 1 0 312.413 3.788 50 0 DHAARO CC(=O)NCCC1=CCC[N@H+](CCc2cccc3ccccc32)C1 ZINC000065528649 184360506 /nfs/dbraw/zinc/36/05/06/184360506.db2.gz IMJQGLRBHIAAKZ-UHFFFAOYSA-N 1 0 322.452 3.541 50 0 DHAARO O=C(NCC1CC[NH+](Cc2ccc3ccccc3c2)CC1)C1CC1 ZINC000067641669 184475686 /nfs/dbraw/zinc/47/56/86/184475686.db2.gz DNHOXPYPMNKRON-UHFFFAOYSA-N 1 0 322.452 3.578 50 0 DHAARO CC(C)C[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000094696946 256548960 /nfs/dbraw/zinc/54/89/60/256548960.db2.gz GRANSQCOQUDLNC-WDEREUQCSA-N 1 0 317.260 3.792 50 0 DHAARO CC(C)[C@H]1CC([NH2+]Cc2ccc3c(c2)OCO3)C[C@H](C(C)C)O1 ZINC000524735306 257213230 /nfs/dbraw/zinc/21/32/30/257213230.db2.gz QFCSLHUPMINKGK-QZTJIDSGSA-N 1 0 319.445 3.733 50 0 DHAARO C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3ccc4occc4c3)cc2)C1 ZINC000426715848 257243532 /nfs/dbraw/zinc/24/35/32/257243532.db2.gz IXYMJTRAFAYFCR-SFHVURJKSA-N 1 0 320.392 3.534 50 0 DHAARO CC[C@@H](C[NH+]1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 ZINC000408514008 257256410 /nfs/dbraw/zinc/25/64/10/257256410.db2.gz HUZNJIMUIFUYTB-ROUUACIJSA-N 1 0 317.473 3.698 50 0 DHAARO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000252476801 257258621 /nfs/dbraw/zinc/25/86/21/257258621.db2.gz BWGRJYMAQGUNDJ-OOVWBHHBSA-N 1 0 311.516 3.795 50 0 DHAARO c1csc(COc2ccc(C[NH2+]C[C@@H]3CCCO3)cc2)c1 ZINC000016430655 257268632 /nfs/dbraw/zinc/26/86/32/257268632.db2.gz FXCLMISDXDCPOL-INIZCTEOSA-N 1 0 303.427 3.596 50 0 DHAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000534653254 334312842 /nfs/dbraw/zinc/31/28/42/334312842.db2.gz VECSPDDMQJFEOI-GFCCVEGCSA-N 1 0 308.853 3.612 50 0 DHAARO Cc1cc(F)ccc1N1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000534667429 334319112 /nfs/dbraw/zinc/31/91/12/334319112.db2.gz MXHFBRHVKQKPMU-INIZCTEOSA-N 1 0 320.452 3.509 50 0 DHAARO CSC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000130077412 337383181 /nfs/dbraw/zinc/38/31/81/337383181.db2.gz RBZPUAQPNVQIKY-VXGBXAGGSA-N 1 0 311.413 3.609 50 0 DHAARO Cc1ncc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)s1 ZINC000237856349 340674619 /nfs/dbraw/zinc/67/46/19/340674619.db2.gz XYZDOJLMVCCCEJ-UHFFFAOYSA-N 1 0 305.834 3.919 50 0 DHAARO Cc1ccc(-c2csc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)s1 ZINC000102662500 525786054 /nfs/dbraw/zinc/78/60/54/525786054.db2.gz WAFQKRCVMDREHJ-DGCLKSJQSA-N 1 0 306.456 3.716 50 0 DHAARO Cc1noc(C2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000053618262 563863954 /nfs/dbraw/zinc/86/39/54/563863954.db2.gz GIXNMWGCYVLLAO-NSHDSACASA-N 1 0 305.809 3.972 50 0 DHAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090540294 563870752 /nfs/dbraw/zinc/87/07/52/563870752.db2.gz XNPBLQRQYDQCNS-UMVBOHGHSA-N 1 0 303.537 3.551 50 0 DHAARO CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC000006935693 563900118 /nfs/dbraw/zinc/90/01/18/563900118.db2.gz UYGDJVDSLOZSTR-IRXDYDNUSA-N 1 0 323.477 3.629 50 0 DHAARO C[C@H](c1cccc(Br)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000242242346 563914067 /nfs/dbraw/zinc/91/40/67/563914067.db2.gz XUBABOMOGAUIIY-CJNGLKHVSA-N 1 0 323.278 3.680 50 0 DHAARO CCOCCC[NH2+]Cc1ccc(OCCC(C)C)c(OC)c1 ZINC000002923958 563941083 /nfs/dbraw/zinc/94/10/83/563941083.db2.gz HBOOEZOTHHGDJC-UHFFFAOYSA-N 1 0 309.450 3.636 50 0 DHAARO CC[NH+](CC)CCOCCOc1ccc(Cl)cc1Cl ZINC000002894780 563317422 /nfs/dbraw/zinc/31/74/22/563317422.db2.gz KIFLERXDDKDEJY-UHFFFAOYSA-N 1 0 306.233 3.731 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1Cl ZINC000010543009 563357667 /nfs/dbraw/zinc/35/76/67/563357667.db2.gz MKKHVRSSWZNVME-CQSZACIVSA-N 1 0 308.853 3.724 50 0 DHAARO CC(C)[C@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000029596996 563435141 /nfs/dbraw/zinc/43/51/41/563435141.db2.gz GHQSAUPEWUARBG-VBQJREDUSA-N 1 0 308.491 3.539 50 0 DHAARO CC(C)C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccccn1 ZINC000095422977 563477241 /nfs/dbraw/zinc/47/72/41/563477241.db2.gz PWHSZVALJYDNOB-DOTOQJQBSA-N 1 0 304.459 3.728 50 0 DHAARO Cc1cc(C)c2c(C[N@@H+]3CCc4ccccc4C3)cc(=O)oc2c1 ZINC000012445423 560212010 /nfs/dbraw/zinc/21/20/10/560212010.db2.gz IUEMWJYKAIDIHO-UHFFFAOYSA-N 1 0 319.404 3.968 50 0 biogenic,in-vitro DHAARO CC(C)(C)c1cc(C[NH+]2CCC(O)CC2)cc(C(C)(C)C)c1O ZINC000000045179 563211756 /nfs/dbraw/zinc/21/17/56/563211756.db2.gz BYWITTZEBMRPSI-UHFFFAOYSA-N 1 0 319.489 3.944 50 0 DHAARO c1ccc(COc2ccccc2C[NH2+]Cc2cccnc2)cc1 ZINC000000119153 563219817 /nfs/dbraw/zinc/21/98/17/563219817.db2.gz NIAXBZLCBZKKRR-UHFFFAOYSA-N 1 0 304.393 3.950 50 0 DHAARO COC(=O)CN1C(C)=[NH+]c2ccc(C)cc2[C@@H]1c1ccccc1 ZINC000000179151 563228724 /nfs/dbraw/zinc/22/87/24/563228724.db2.gz VWBYNUFXYIBZNI-IBGZPJMESA-N 1 0 308.381 3.623 50 0 DHAARO COc1ccc(CNc2ccc3c(c2)[nH+]c(C)n3C)cc1OC ZINC000000237853 563232162 /nfs/dbraw/zinc/23/21/62/563232162.db2.gz GAHJUOIVAKWIIW-UHFFFAOYSA-N 1 0 311.385 3.511 50 0 DHAARO CCOC(=O)c1c2cc(OC)ccc2oc1C[NH+]1CCCCC1 ZINC000000380835 563247727 /nfs/dbraw/zinc/24/77/27/563247727.db2.gz GCWVFAKIMDGKKD-UHFFFAOYSA-N 1 0 317.385 3.604 50 0 DHAARO CCOc1ccc(-[n+]2c(-c3ccccc3)cn3c2SCC3)cc1 ZINC000000389451 563249159 /nfs/dbraw/zinc/24/91/59/563249159.db2.gz JUAWJOBLKBGIQD-UHFFFAOYSA-N 1 0 323.441 3.936 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000001229435 563280091 /nfs/dbraw/zinc/28/00/91/563280091.db2.gz ZYDIJYHBHFHSQJ-QZTJIDSGSA-N 1 0 300.490 3.671 50 0 DHAARO O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000001481738 563284124 /nfs/dbraw/zinc/28/41/24/563284124.db2.gz YSXKPIUOCJLQIE-ZFMNYDKASA-N 1 0 311.469 3.962 50 0 in-vitro DHAARO O=C(NCCCn1ccnc1)c1sc2ccccc2c1Cl ZINC000001802775 563296368 /nfs/dbraw/zinc/29/63/68/563296368.db2.gz NSZMAPXYHRDBAA-UHFFFAOYSA-N 1 0 319.817 3.571 50 0 DHAARO O=C(c1ccc(F)cc1F)c1ccccc1C[NH+]1CCCC1 ZINC000002515585 563306042 /nfs/dbraw/zinc/30/60/42/563306042.db2.gz DCJLKQSQWINJMH-UHFFFAOYSA-N 1 0 301.336 3.792 50 0 DHAARO CCOc1cc(C=O)ccc1OCCCC[NH+]1CCCCC1 ZINC000002846371 563314776 /nfs/dbraw/zinc/31/47/76/563314776.db2.gz DFZMQAKUYPYJNF-UHFFFAOYSA-N 1 0 305.418 3.543 50 0 DHAARO Cc1cc(C)c(OCC[NH2+]C2CCCC2)c(Br)c1 ZINC000002844491 563315100 /nfs/dbraw/zinc/31/51/00/563315100.db2.gz AJJUASACPYGDED-UHFFFAOYSA-N 1 0 312.251 3.977 50 0 DHAARO CC(C)(C)[NH2+]CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000003003638 563320411 /nfs/dbraw/zinc/32/04/11/563320411.db2.gz UOTFDWGQABYYJS-UHFFFAOYSA-N 1 0 306.233 3.777 50 0 DHAARO CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063156 563351317 /nfs/dbraw/zinc/35/13/17/563351317.db2.gz MQWJRYAOHOSEOH-MRXNPFEDSA-N 1 0 302.462 3.512 50 0 DHAARO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009062871 563351581 /nfs/dbraw/zinc/35/15/81/563351581.db2.gz IXFMWZAJDWYATR-UHFFFAOYSA-N 1 0 308.425 3.846 50 0 DHAARO Fc1cccc(CNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000036379408 563354724 /nfs/dbraw/zinc/35/47/24/563354724.db2.gz DEOXVDKEGOJWGA-UHFFFAOYSA-N 1 0 312.432 3.622 50 0 DHAARO c1cn(CCC[NH2+]Cc2cccc(OCc3ccccc3)c2)cn1 ZINC000010314015 563356093 /nfs/dbraw/zinc/35/60/93/563356093.db2.gz DIMRDCFQDBLTCQ-UHFFFAOYSA-N 1 0 321.424 3.642 50 0 DHAARO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000011815020 563359159 /nfs/dbraw/zinc/35/91/59/563359159.db2.gz WSORWUCARJFHLM-HNNXBMFYSA-N 1 0 315.438 3.857 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)[nH]1 ZINC000011817073 563359801 /nfs/dbraw/zinc/35/98/01/563359801.db2.gz AWVGPOKARKRIDF-AWEZNQCLSA-N 1 0 319.399 3.841 50 0 DHAARO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+](C)C1CCOCC1 ZINC000011879658 563359954 /nfs/dbraw/zinc/35/99/54/563359954.db2.gz JOBSXKRZRSBQNR-UHFFFAOYSA-N 1 0 322.355 3.539 50 0 DHAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]C1CCC1 ZINC000012112132 563361951 /nfs/dbraw/zinc/36/19/51/563361951.db2.gz KUZRZCARZINRCZ-CQSZACIVSA-N 1 0 302.466 3.759 50 0 DHAARO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229923051 563372251 /nfs/dbraw/zinc/37/22/51/563372251.db2.gz KKOOIDKFASFXOP-WCQYABFASA-N 1 0 324.350 3.764 50 0 DHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1 ZINC000012806194 563374225 /nfs/dbraw/zinc/37/42/25/563374225.db2.gz CNWSNZSSJSLCTJ-GOSISDBHSA-N 1 0 309.413 3.645 50 0 DHAARO CC1CC[NH+]([C@H](CNC(=O)c2ccoc2)c2cccs2)CC1 ZINC000012903815 563375324 /nfs/dbraw/zinc/37/53/24/563375324.db2.gz IOTYXMAPWMUFAU-OAHLLOKOSA-N 1 0 318.442 3.544 50 0 DHAARO CCc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000012997389 563376899 /nfs/dbraw/zinc/37/68/99/563376899.db2.gz KRUMMNVRRRNDNZ-UHFFFAOYSA-N 1 0 322.452 3.775 50 0 DHAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCc2ccccc21 ZINC000013675538 563385482 /nfs/dbraw/zinc/38/54/82/563385482.db2.gz GBXCGKJZQZDILE-UHFFFAOYSA-N 1 0 320.436 3.875 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C)cc2)cc1 ZINC000014198946 563397457 /nfs/dbraw/zinc/39/74/57/563397457.db2.gz BXYJVLKEANOYQX-UHFFFAOYSA-N 1 0 310.441 3.767 50 0 DHAARO O=C(NCCC[NH+]1CCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000014186505 563397765 /nfs/dbraw/zinc/39/77/65/563397765.db2.gz VDTLXADZBXEILU-UHFFFAOYSA-N 1 0 316.232 3.601 50 0 DHAARO O=C(CCc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032818562 563398371 /nfs/dbraw/zinc/39/83/71/563398371.db2.gz FARUBFLAUFDAKZ-UHFFFAOYSA-N 1 0 322.452 3.531 50 0 DHAARO Cc1c2cc(F)ccc2oc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000032819057 563399197 /nfs/dbraw/zinc/39/91/97/563399197.db2.gz FJLHYAKKOCABSI-UHFFFAOYSA-N 1 0 320.408 3.729 50 0 DHAARO O=C(Nc1ccccc1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015070912 563406890 /nfs/dbraw/zinc/40/68/90/563406890.db2.gz BBYQVAVZXVCYRE-QGZVFWFLSA-N 1 0 315.461 3.995 50 0 DHAARO C[C@@H]1[C@H](OC(=O)c2ccccc2)CC[N@H+](Cc2ccco2)[C@H]1C ZINC000015319279 563409203 /nfs/dbraw/zinc/40/92/03/563409203.db2.gz IEDBZMWATZKGIT-RLFYNMQTSA-N 1 0 313.397 3.736 50 0 DHAARO Cc1sc2ncnc(NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)c2c1C ZINC000071954220 563415755 /nfs/dbraw/zinc/41/57/55/563415755.db2.gz PDLMYBBSGDMRDG-RYUDHWBXSA-N 1 0 318.490 3.840 50 0 DHAARO CN(C)CC[NH2+]CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000020548458 563417545 /nfs/dbraw/zinc/41/75/45/563417545.db2.gz SJTZTKSEPKJZMN-RBUKOAKNSA-N 1 0 318.505 3.517 50 0 DHAARO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)c(C)c1 ZINC000025443461 563422522 /nfs/dbraw/zinc/42/25/22/563422522.db2.gz RUILGCSVWDQWRJ-UHFFFAOYSA-N 1 0 302.462 3.688 50 0 DHAARO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCCC1 ZINC000025418796 563422767 /nfs/dbraw/zinc/42/27/67/563422767.db2.gz IAMYJZLYBHNNIY-MRXNPFEDSA-N 1 0 308.425 3.700 50 0 DHAARO Cc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027582117 563428516 /nfs/dbraw/zinc/42/85/16/563428516.db2.gz UAADRYPVYYEZSK-INIZCTEOSA-N 1 0 314.454 3.623 50 0 DHAARO CCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027663855 563429502 /nfs/dbraw/zinc/42/95/02/563429502.db2.gz HIDPYNRFYJXCER-MRXNPFEDSA-N 1 0 308.853 3.783 50 0 DHAARO Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c1 ZINC000029483007 563434207 /nfs/dbraw/zinc/43/42/07/563434207.db2.gz YBWIDZRCOYRQLD-IBGZPJMESA-N 1 0 308.425 3.861 50 0 DHAARO CCSCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000072304851 563443816 /nfs/dbraw/zinc/44/38/16/563443816.db2.gz GJHWIMNYVZVZAT-HNNXBMFYSA-N 1 0 307.459 3.738 50 0 DHAARO Cc1ccc2oc(=O)cc(C[N@H+](C)Cc3ccc(F)cc3)c2c1 ZINC000033018660 563443890 /nfs/dbraw/zinc/44/38/90/563443890.db2.gz CNKAXPMFBVMKKZ-UHFFFAOYSA-N 1 0 311.356 3.873 50 0 DHAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000033087111 563444268 /nfs/dbraw/zinc/44/42/68/563444268.db2.gz PILGVLAABXGSPG-SFHVURJKSA-N 1 0 301.409 3.985 50 0 DHAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(C)nc2ccccc21 ZINC000002075185 563447953 /nfs/dbraw/zinc/44/79/53/563447953.db2.gz UYSILKUEMQOYJF-AWEZNQCLSA-N 1 0 300.450 3.861 50 0 DHAARO CCCCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000001773231 563447967 /nfs/dbraw/zinc/44/79/67/563447967.db2.gz BGRBXELRMMVNBC-WMZOPIPTSA-N 1 0 300.446 3.710 50 0 biogenic DHAARO CCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000000568118 563448103 /nfs/dbraw/zinc/44/81/03/563448103.db2.gz BHCBMINIBNBATN-QFBILLFUSA-N 1 0 313.441 3.730 50 0 DHAARO CC(C)C[NH+](CC(C)C)C[C@H](O)COc1ccccc1Cl ZINC000002988530 563449620 /nfs/dbraw/zinc/44/96/20/563449620.db2.gz HDXHODJLOSXAJJ-HNNXBMFYSA-N 1 0 313.869 3.694 50 0 DHAARO Clc1ccccc1-c1ccc(C[NH2+]CCCn2ccnc2)o1 ZINC000035268967 563452525 /nfs/dbraw/zinc/45/25/25/563452525.db2.gz LNNCOZNPHKPCTK-UHFFFAOYSA-N 1 0 315.804 3.976 50 0 DHAARO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)Oc1ccccn1 ZINC000035287331 563452637 /nfs/dbraw/zinc/45/26/37/563452637.db2.gz JCNMXUVOLRRIAV-NSHDSACASA-N 1 0 311.212 3.946 50 0 DHAARO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000044910263 563464451 /nfs/dbraw/zinc/46/44/51/563464451.db2.gz GOVUANTXUSCFKV-UHFFFAOYSA-N 1 0 308.425 3.562 50 0 DHAARO CCCCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000013704614 563469101 /nfs/dbraw/zinc/46/91/01/563469101.db2.gz RIKXLROQYQSOHV-IIDMSEBBSA-N 1 0 319.445 3.751 50 0 DHAARO [NH3+]C1CCC(Oc2ccc(Cl)cc2Br)CC1 ZINC000055144036 563471961 /nfs/dbraw/zinc/47/19/61/563471961.db2.gz BJLILVAILUADPE-UHFFFAOYSA-N 1 0 304.615 3.751 50 0 DHAARO COc1ccc(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)cc1CO ZINC000055326218 563474571 /nfs/dbraw/zinc/47/45/71/563474571.db2.gz OKGLRNGOQJKKBX-HNNXBMFYSA-N 1 0 317.429 3.827 50 0 DHAARO C[NH+](C)Cc1cccc(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000096410957 563480336 /nfs/dbraw/zinc/48/03/36/563480336.db2.gz WDXOIDZEMTWUTJ-INIZCTEOSA-N 1 0 312.438 3.576 50 0 DHAARO O[C@@H](C[C@@H]1CCCCCN1Cc1cscn1)c1ccco1 ZINC000096468675 563483683 /nfs/dbraw/zinc/48/36/83/563483683.db2.gz HFGVCZNETUBZOA-GJZGRUSLSA-N 1 0 306.431 3.604 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)CCc1cccc(F)c1 ZINC000096482510 563484185 /nfs/dbraw/zinc/48/41/85/563484185.db2.gz NCPWEUYLAHEKOA-UHFFFAOYSA-N 1 0 300.377 3.507 50 0 DHAARO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000096477400 563484783 /nfs/dbraw/zinc/48/47/83/563484783.db2.gz GVABNABXBHEWNY-FPTDNZKUSA-N 1 0 319.445 3.847 50 0 DHAARO COc1nccnc1Oc1ccc(C[NH+]2CCCC2)cc1Cl ZINC000067694672 563489898 /nfs/dbraw/zinc/48/98/98/563489898.db2.gz KLQOUJNBROUQOU-UHFFFAOYSA-N 1 0 319.792 3.527 50 0 DHAARO C[C@@H](c1ccc(-c2nccn2Cc2ccccn2)cc1)[NH+](C)C ZINC000067787568 563490404 /nfs/dbraw/zinc/49/04/04/563490404.db2.gz XAHDUQRDMXZYLJ-HNNXBMFYSA-N 1 0 306.413 3.616 50 0 DHAARO CC(C)=CC(=O)NCC[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000067789017 563490702 /nfs/dbraw/zinc/49/07/02/563490702.db2.gz KAJLAUXDEJJENE-KRWDZBQOSA-N 1 0 306.494 3.894 50 0 DHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)C(C)(C)C)CC2)c(C)c1 ZINC000067854846 563492338 /nfs/dbraw/zinc/49/23/38/563492338.db2.gz KDSPABXYIGNUIP-UHFFFAOYSA-N 1 0 316.489 3.678 50 0 DHAARO c1[nH]nc(C2CC[NH+](Cc3ccccn3)CC2)c1-c1ccccc1 ZINC000067847198 563492364 /nfs/dbraw/zinc/49/23/64/563492364.db2.gz CSWYEOCQIAZITB-UHFFFAOYSA-N 1 0 318.424 3.851 50 0 DHAARO Cc1cc(C[NH2+]Cc2c(C)n(CC(C)C)c3ccccc23)[nH]n1 ZINC000067920699 563493604 /nfs/dbraw/zinc/49/36/04/563493604.db2.gz CWBJSTUEMJOXNR-UHFFFAOYSA-N 1 0 310.445 3.927 50 0 DHAARO Cc1[nH]cnc1-c1nccn1-c1ccccc1C[NH+]1CCCCC1 ZINC000071419061 563499430 /nfs/dbraw/zinc/49/94/30/563499430.db2.gz ZGMKJNCAOHYHOI-UHFFFAOYSA-N 1 0 321.428 3.557 50 0 DHAARO Cc1nnc(C[NH2+][C@H](C)[C@H](C)c2ccccc2C(F)(F)F)o1 ZINC000097110972 563506298 /nfs/dbraw/zinc/50/62/98/563506298.db2.gz WTUPZDTZCPOHTK-VHSXEESVSA-N 1 0 313.323 3.679 50 0 DHAARO Fc1ccc(N2CCC([NH2+][C@H]3CC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000077287864 563508254 /nfs/dbraw/zinc/50/82/54/563508254.db2.gz MVGDAROFGGSABP-JVPBZIDWSA-N 1 0 302.437 3.963 50 0 DHAARO Cc1ccc([C@@H]2CN(CCCC(F)(F)F)C[C@H]2[NH+](C)C)cc1 ZINC000077322993 563509426 /nfs/dbraw/zinc/50/94/26/563509426.db2.gz ILRYOMIQBKVRCP-JKSUJKDBSA-N 1 0 314.395 3.667 50 0 DHAARO O=C(NCC1([NH+]2CCCC2)CCCC1)Nc1ccccc1Cl ZINC000097572248 563540031 /nfs/dbraw/zinc/54/00/31/563540031.db2.gz YNQIOKIZWCEPRZ-UHFFFAOYSA-N 1 0 321.852 3.870 50 0 DHAARO Oc1ccc2cc(CN3CC[C@H]([NH+]4CCCCC4)C3)ccc2c1 ZINC000097570809 563540248 /nfs/dbraw/zinc/54/02/48/563540248.db2.gz WMRJFHMYFCUEBF-IBGZPJMESA-N 1 0 310.441 3.606 50 0 DHAARO CCCCOc1ccc(CN2CCC[C@@H]2c2nnc(C)[nH]2)cc1 ZINC000097823415 563542445 /nfs/dbraw/zinc/54/24/45/563542445.db2.gz TZIRTAOIKNUWLT-QGZVFWFLSA-N 1 0 314.433 3.629 50 0 DHAARO CC(C)[NH+](CCNC(=O)c1cc2c(s1)CCCCC2)C(C)C ZINC000014070460 563558696 /nfs/dbraw/zinc/55/86/96/563558696.db2.gz CYZNVPPIOWDIER-UHFFFAOYSA-N 1 0 322.518 3.866 50 0 DHAARO c1coc([C@H](CNc2ncnc3ccccc32)[NH+]2CCCCC2)c1 ZINC000014165414 563560612 /nfs/dbraw/zinc/56/06/12/563560612.db2.gz MGADAHVNGBYYMX-KRWDZBQOSA-N 1 0 322.412 3.862 50 0 DHAARO CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2ccccc2Cl)N1O ZINC000000191947 563576905 /nfs/dbraw/zinc/57/69/05/563576905.db2.gz QTNMNIWZIRANDS-INIZCTEOSA-N 1 0 316.788 3.822 50 0 DHAARO CC(C)c1ccc(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)cc1 ZINC000000299655 563585284 /nfs/dbraw/zinc/58/52/84/563585284.db2.gz HBFZGNZOCIRZJD-UHFFFAOYSA-N 1 0 316.489 3.937 50 0 DHAARO O[C@@H](c1ccccc1)c1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1 ZINC000000382803 563591344 /nfs/dbraw/zinc/59/13/44/563591344.db2.gz AHBSFBQHTBVUMG-RXVVDRJESA-N 1 0 318.420 3.704 50 0 DHAARO CCCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000075552500 563606018 /nfs/dbraw/zinc/60/60/18/563606018.db2.gz TZGNQXONJOBXCN-KRWDZBQOSA-N 1 0 323.444 3.549 50 0 DHAARO O=C(c1ccoc1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069414581 563615652 /nfs/dbraw/zinc/61/56/52/563615652.db2.gz YTUUAGUYVVANQS-MOPGFXCFSA-N 1 0 324.424 3.549 50 0 DHAARO C[NH2+][C@@H]1Cc2cc(OC)c(OC)cc2Sc2ccccc21 ZINC000002001013 563620972 /nfs/dbraw/zinc/62/09/72/563620972.db2.gz ZGRXNASCHPJSHC-CYBMUJFWSA-N 1 0 301.411 3.672 50 0 DHAARO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OC ZINC000002901274 563635475 /nfs/dbraw/zinc/63/54/75/563635475.db2.gz SMAPHRIENRUXTC-UHFFFAOYSA-N 1 0 324.424 3.908 50 0 DHAARO COCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000008469131 563643597 /nfs/dbraw/zinc/64/35/97/563643597.db2.gz JPBQEBMCDIESRU-UHFFFAOYSA-N 1 0 323.795 3.794 50 0 DHAARO C[C@H](NC(=O)CC1=CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454930 563644844 /nfs/dbraw/zinc/64/48/44/563644844.db2.gz VSXAAPCHPFVBBF-DOTOQJQBSA-N 1 0 304.478 3.646 50 0 DHAARO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccccc2)cc1 ZINC000000568284 563671446 /nfs/dbraw/zinc/67/14/46/563671446.db2.gz NRDSDJKEOXPHFS-UHFFFAOYSA-N 1 0 312.413 3.546 50 0 DHAARO FC(F)(F)c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000047975378 563692493 /nfs/dbraw/zinc/69/24/93/563692493.db2.gz MWUCWAYOQTVIDR-NWDGAFQWSA-N 1 0 319.758 3.793 50 0 DHAARO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000048299318 563695801 /nfs/dbraw/zinc/69/58/01/563695801.db2.gz PQNXPRPDGLHCMK-KRWDZBQOSA-N 1 0 314.816 3.943 50 0 DHAARO Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000048367874 563698244 /nfs/dbraw/zinc/69/82/44/563698244.db2.gz LBFVPFRIXPMZOZ-AWEZNQCLSA-N 1 0 313.401 3.610 50 0 DHAARO Clc1cccc(C[NH+]2CCC(c3nnc(C4CC4)o3)CC2)c1 ZINC000049377617 563701134 /nfs/dbraw/zinc/70/11/34/563701134.db2.gz WLFQCVRPEIUUFQ-UHFFFAOYSA-N 1 0 317.820 3.980 50 0 DHAARO C[N@H+](CC(=O)NC(C)(C)C)C1c2ccccc2-c2ccccc21 ZINC000049974456 563702350 /nfs/dbraw/zinc/70/23/50/563702350.db2.gz SWBXGPFPJXKVGA-UHFFFAOYSA-N 1 0 308.425 3.603 50 0 DHAARO Cc1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c2cccnc12 ZINC000215471455 563705388 /nfs/dbraw/zinc/70/53/88/563705388.db2.gz YYCIUTCPWKBZDF-KRWDZBQOSA-N 1 0 320.440 3.656 50 0 DHAARO C[N@H+](CCC[C@H]1CCCO1)Cc1cnc(C2CCCCC2)nc1 ZINC000215456236 563705856 /nfs/dbraw/zinc/70/58/56/563705856.db2.gz DNMXYKFFWZMQDM-SFHVURJKSA-N 1 0 317.477 3.915 50 0 DHAARO C[C@@H](c1cccnc1)N(C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215552435 563706088 /nfs/dbraw/zinc/70/60/88/563706088.db2.gz NVDFIYJIRDLZMB-HNNXBMFYSA-N 1 0 315.486 3.932 50 0 DHAARO CCc1nn(C)c(Cl)c1CN1CC[C@@H]1c1cccc(OC)c1 ZINC000216451312 563709934 /nfs/dbraw/zinc/70/99/34/563709934.db2.gz CQBXNULUQHYHRS-MRXNPFEDSA-N 1 0 319.836 3.592 50 0 DHAARO [NH2+]=c1ccn(C/C=C/CN2C=CC(=CN=O)C=C2)c2ccccc12 ZINC000038172543 563739097 /nfs/dbraw/zinc/73/90/97/563739097.db2.gz LAROJPYFOGYZEQ-DKFURHEUSA-N 1 0 318.380 3.670 50 0 DHAARO C[C@@H](CO)C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000225517478 563758170 /nfs/dbraw/zinc/75/81/70/563758170.db2.gz STWKJNAUVUFHHC-SNVBAGLBSA-N 1 0 314.212 3.971 50 0 DHAARO COc1c(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)c(C)nn1C ZINC000058307320 563771138 /nfs/dbraw/zinc/77/11/38/563771138.db2.gz QZJJLMYZSXGJJX-INIZCTEOSA-N 1 0 319.424 3.753 50 0 DHAARO c1ccc2[nH]c([C@H]3CCC[N@H+](C4CCSCC4)C3)nc2c1 ZINC000244874584 563779728 /nfs/dbraw/zinc/77/97/28/563779728.db2.gz XDQRLZSXTPBMNR-ZDUSSCGKSA-N 1 0 301.459 3.638 50 0 DHAARO CCCn1cc(C[NH2+]C[C@H](O)c2ccccc2)c2ccccc21 ZINC000247985990 563782090 /nfs/dbraw/zinc/78/20/90/563782090.db2.gz ISWURTSBJOARJW-FQEVSTJZSA-N 1 0 308.425 3.875 50 0 DHAARO CCCn1cc(C[NH2+]CCC[NH+](CC)CC)c2ccccc21 ZINC000248023066 563782682 /nfs/dbraw/zinc/78/26/82/563782682.db2.gz VIFQKABGDWENDJ-UHFFFAOYSA-N 1 0 301.478 3.873 50 0 DHAARO OCCC[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000052759526 563794092 /nfs/dbraw/zinc/79/40/92/563794092.db2.gz AFDLODLWSPKQBW-HNNXBMFYSA-N 1 0 304.821 3.625 50 0 DHAARO Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC000012525245 563797612 /nfs/dbraw/zinc/79/76/12/563797612.db2.gz ITHAUMBMSXXONL-MRXNPFEDSA-N 1 0 319.408 3.980 50 0 DHAARO CC(=O)c1c(F)cccc1N[C@H](c1nccn1C)c1ccccc1 ZINC000012525603 563797741 /nfs/dbraw/zinc/79/77/41/563797741.db2.gz GJDGACIENSVHPG-SFHVURJKSA-N 1 0 323.371 3.963 50 0 DHAARO [NH2+]=C(NC1CC1)SCc1cccc(OCC(F)(F)F)c1 ZINC000120809629 563799828 /nfs/dbraw/zinc/79/98/28/563799828.db2.gz STDJXCTVKQKVRA-UHFFFAOYSA-N 1 0 304.337 3.548 50 0 DHAARO Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC(C)(C)C)C3)o1 ZINC000012596267 563802747 /nfs/dbraw/zinc/80/27/47/563802747.db2.gz DHVHKXLEDLKJMR-IBGZPJMESA-N 1 0 304.478 3.922 50 0 DHAARO c1ccc(N2CCC([NH2+]CCCOC3CCCCC3)CC2)cc1 ZINC000162992983 563811467 /nfs/dbraw/zinc/81/14/67/563811467.db2.gz WGRKSHRUCICTKO-UHFFFAOYSA-N 1 0 316.489 3.984 50 0 DHAARO CC[C@@H](C(=O)Nc1ccc2c3c(cccc31)CC2)[NH+](CC)CC ZINC000084718767 563830511 /nfs/dbraw/zinc/83/05/11/563830511.db2.gz TVIOEDGEZWCMPA-SFHVURJKSA-N 1 0 310.441 3.997 50 0 DHAARO CC[C@@H](C[NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000085298538 563835402 /nfs/dbraw/zinc/83/54/02/563835402.db2.gz KUTAHDNOOTYVIX-KKSFZXQISA-N 1 0 301.455 3.707 50 0 DHAARO Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000012817669 563837275 /nfs/dbraw/zinc/83/72/75/563837275.db2.gz HRSVFPLNFRQJRT-GOSISDBHSA-N 1 0 312.388 3.910 50 0 DHAARO C[C@H]1C[NH+](CCCOc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000020167149 563843218 /nfs/dbraw/zinc/84/32/18/563843218.db2.gz LIKHRWUHHPZKIE-RYUDHWBXSA-N 1 0 318.244 3.872 50 0 DHAARO C[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000012915376 563853811 /nfs/dbraw/zinc/85/38/11/563853811.db2.gz HBTMUDONYBWYLD-JTQLQIEISA-N 1 0 322.380 3.584 50 0 DHAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000012924735 563854417 /nfs/dbraw/zinc/85/44/17/563854417.db2.gz CPFFPUOUXLYVBL-VQIMIIECSA-N 1 0 308.425 3.701 50 0 DHAARO COc1ccc2c(C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)cc(=O)oc2c1 ZINC000035288685 563855011 /nfs/dbraw/zinc/85/50/11/563855011.db2.gz CTFXTOYBBHKMCQ-OGHNNQOOSA-N 1 0 315.413 3.716 50 0 DHAARO CC(C)(O)c1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000186601980 563856471 /nfs/dbraw/zinc/85/64/71/563856471.db2.gz IQXMAZPPQYOCEJ-UHFFFAOYSA-N 1 0 324.468 3.673 50 0 DHAARO C[N@H+](CC(=O)Nc1ccccc1SC(F)F)C1CCCC1 ZINC000053436563 563863202 /nfs/dbraw/zinc/86/32/02/563863202.db2.gz VPSDLXQZWZULSE-UHFFFAOYSA-N 1 0 314.401 3.814 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000575608607 563865060 /nfs/dbraw/zinc/86/50/60/563865060.db2.gz ORLUAKQPPLQENK-HOCLYGCPSA-N 1 0 312.413 3.508 50 0 DHAARO CS[C@H](C)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000053547388 563879128 /nfs/dbraw/zinc/87/91/28/563879128.db2.gz LZSGBQMBZVGJMT-GFCCVEGCSA-N 1 0 315.442 3.576 50 0 DHAARO c1n[nH]cc1[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000092809862 563882735 /nfs/dbraw/zinc/88/27/35/563882735.db2.gz SNBUGIVIYIUGLU-IBGZPJMESA-N 1 0 318.424 3.851 50 0 DHAARO CCc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)o1 ZINC000089286776 563883412 /nfs/dbraw/zinc/88/34/12/563883412.db2.gz OSGHUBVSVYDRNZ-UHFFFAOYSA-N 1 0 303.377 3.777 50 0 DHAARO C[C@H]1CCC[N@H+](CCCOc2cccc(Br)c2)C1 ZINC000002823716 563913047 /nfs/dbraw/zinc/91/30/47/563913047.db2.gz WRLSMDUFLFOSHF-ZDUSSCGKSA-N 1 0 312.251 3.950 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036098772 563893908 /nfs/dbraw/zinc/89/39/08/563893908.db2.gz QVFNTCUEMSBHSV-HKUYNNGSSA-N 1 0 307.478 3.629 50 0 DHAARO CC(C)[N@@H+](Cc1cccs1)C[C@H](O)COCc1ccccc1 ZINC000036103351 563894104 /nfs/dbraw/zinc/89/41/04/563894104.db2.gz ODUNOJLHYWADCI-KRWDZBQOSA-N 1 0 319.470 3.536 50 0 DHAARO O[C@H](C[NH2+]C1CCCCCC1)COCc1ccc(Cl)cc1 ZINC000006937344 563900001 /nfs/dbraw/zinc/90/00/01/563900001.db2.gz VDUBQYXWVHZJPG-QGZVFWFLSA-N 1 0 311.853 3.530 50 0 DHAARO CCC(CC)[NH2+]C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000006941031 563900101 /nfs/dbraw/zinc/90/01/01/563900101.db2.gz LKHPRSIVYNTDCO-OAHLLOKOSA-N 1 0 323.477 3.511 50 0 DHAARO CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000170070852 563903634 /nfs/dbraw/zinc/90/36/34/563903634.db2.gz FEELPSFIJDRPPC-VAMGGRTRSA-N 1 0 322.452 3.556 50 0 DHAARO c1sc(CCC[NH2+][C@H]2CCCSC2)nc1-c1ccncc1 ZINC000170074699 563903638 /nfs/dbraw/zinc/90/36/38/563903638.db2.gz WJEMIVREUYXVTL-AWEZNQCLSA-N 1 0 319.499 3.623 50 0 DHAARO c1nc2ccccc2n1-c1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000009883981 563909132 /nfs/dbraw/zinc/90/91/32/563909132.db2.gz FCBXACQEKLHNOH-UHFFFAOYSA-N 1 0 314.392 3.710 50 0 DHAARO CC[C@@H](C)c1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000013775553 563909998 /nfs/dbraw/zinc/90/99/98/563909998.db2.gz QJKVYXBBYWHJTG-CYBMUJFWSA-N 1 0 305.491 3.581 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(C)c2)cc1 ZINC000014188473 563910415 /nfs/dbraw/zinc/91/04/15/563910415.db2.gz FCRJAMOMVBMLNZ-UHFFFAOYSA-N 1 0 310.441 3.767 50 0 DHAARO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1nnc(-c2cccs2)o1 ZINC000089904289 563912242 /nfs/dbraw/zinc/91/22/42/563912242.db2.gz ZUPYFITZSMJOKL-NSHDSACASA-N 1 0 319.455 3.923 50 0 DHAARO C[C@@H]1CCC[N@H+](CCCOc2ccccc2Br)C1 ZINC000002825305 563913085 /nfs/dbraw/zinc/91/30/85/563913085.db2.gz MSTANEPWKCZWDO-CYBMUJFWSA-N 1 0 312.251 3.950 50 0 DHAARO CCCC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000002159961 563915691 /nfs/dbraw/zinc/91/56/91/563915691.db2.gz BGSZDPJMIDBZCN-HXUWFJFHSA-N 1 0 324.468 3.819 50 0 DHAARO CC[N@H+](CCCO[C@H]1CCCCO1)[C@H](C)c1cccc(O)c1 ZINC000252514937 563916691 /nfs/dbraw/zinc/91/66/91/563916691.db2.gz FIEPZQXAIFSRSQ-QAPCUYQASA-N 1 0 307.434 3.708 50 0 DHAARO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000037547431 563918727 /nfs/dbraw/zinc/91/87/27/563918727.db2.gz AVVAEKZIMWTVDW-UHFFFAOYSA-N 1 0 322.452 3.849 50 0 DHAARO CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000037619326 563919352 /nfs/dbraw/zinc/91/93/52/563919352.db2.gz OSLLVFGCOKJNNK-RNCFNFMXSA-N 1 0 303.233 3.688 50 0 DHAARO C[N@@H+]1C[C@H](C(=O)c2cccs2)[C@H](c2ccc(Cl)cc2)C1 ZINC000108006305 563924155 /nfs/dbraw/zinc/92/41/55/563924155.db2.gz DQDLEPZVHJFUCX-KBPBESRZSA-N 1 0 305.830 3.930 50 0 DHAARO COCCCC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000253430630 563925275 /nfs/dbraw/zinc/92/52/75/563925275.db2.gz ROSVMFRKEXQQJA-HNNXBMFYSA-N 1 0 307.825 3.780 50 0 DHAARO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1(c2cccs2)CCCCC1 ZINC000253428380 563925342 /nfs/dbraw/zinc/92/53/42/563925342.db2.gz AFWFHJYTFHOSCU-OAHLLOKOSA-N 1 0 322.518 3.795 50 0 DHAARO O=C(Nc1ccccc1)C1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000253431742 563925724 /nfs/dbraw/zinc/92/57/24/563925724.db2.gz XIQNYOZAPNBVPI-UHFFFAOYSA-N 1 0 312.457 3.917 50 0 DHAARO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)cc1C ZINC000109022577 563927157 /nfs/dbraw/zinc/92/71/57/563927157.db2.gz NXNUNTBCTJCGTI-HZPDHXFCSA-N 1 0 304.478 3.847 50 0 DHAARO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)c1C ZINC000225475260 563928596 /nfs/dbraw/zinc/92/85/96/563928596.db2.gz WWZPNJBXEYRSQV-ZBEGNZNMSA-N 1 0 317.408 3.833 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccsc1 ZINC000013011260 563929111 /nfs/dbraw/zinc/92/91/11/563929111.db2.gz MAPPXDKCJSKEDF-SFHVURJKSA-N 1 0 324.449 3.934 50 0 DHAARO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000095459059 563931493 /nfs/dbraw/zinc/93/14/93/563931493.db2.gz ULAXSTQSVWGPCE-KUHUBIRLSA-N 1 0 315.413 3.570 50 0 DHAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Cl)s1 ZINC000095951879 563932101 /nfs/dbraw/zinc/93/21/01/563932101.db2.gz UGEDMKHJENWVRB-DRZSPHRISA-N 1 0 313.850 3.708 50 0 DHAARO C[C@H](c1ccc(F)cc1F)N1CCc2c(ncn2C2CC2)C1 ZINC000095950597 563932203 /nfs/dbraw/zinc/93/22/03/563932203.db2.gz KPDKMMYXYLFOBO-LLVKDONJSA-N 1 0 303.356 3.616 50 0 DHAARO Cc1csc(=O)n1CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000095964896 563932706 /nfs/dbraw/zinc/93/27/06/563932706.db2.gz MWVJDMARCWDUNZ-UHFFFAOYSA-N 1 0 316.470 3.667 50 0 DHAARO Cc1cccc([C@H]([NH2+]Cc2cc(=O)c(O)co2)C(C)(C)C)c1 ZINC000095985704 563934079 /nfs/dbraw/zinc/93/40/79/563934079.db2.gz FXKRVDRWQUQBPL-KRWDZBQOSA-N 1 0 301.386 3.531 50 0 DHAARO CCCOc1ccc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)cc1 ZINC000095989204 563934236 /nfs/dbraw/zinc/93/42/36/563934236.db2.gz WDBPPHHAYWXQGQ-SFHVURJKSA-N 1 0 319.445 3.641 50 0 DHAARO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc([S@](C)=O)cc1 ZINC000095991427 563934495 /nfs/dbraw/zinc/93/44/95/563934495.db2.gz FPPSDWMBNHPRFV-WHEQGISXSA-N 1 0 317.429 3.903 50 0 DHAARO COc1ccccc1CC[C@H]1CCCC[N@@H+]1CCCCCO ZINC000096026584 563935062 /nfs/dbraw/zinc/93/50/62/563935062.db2.gz LIKSNOBEDZSLJM-GOSISDBHSA-N 1 0 305.462 3.645 50 0 DHAARO Cc1nnc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000096493204 563937512 /nfs/dbraw/zinc/93/75/12/563937512.db2.gz OQMVPTATLXXRSO-CQSZACIVSA-N 1 0 311.307 3.638 50 0 DHAARO C[C@H](C[N@H+](C)CCc1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000283389168 563937642 /nfs/dbraw/zinc/93/76/42/563937642.db2.gz UIAPRGHLTGUQLV-CYBMUJFWSA-N 1 0 323.362 3.773 50 0 DHAARO Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)c(-c2cccnc2)n1 ZINC000097159737 563937822 /nfs/dbraw/zinc/93/78/22/563937822.db2.gz BTLYGPYEMRAPDU-IBGZPJMESA-N 1 0 318.424 3.649 50 0 DHAARO Cc1nc2ccccc2n1C[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000058140468 563943746 /nfs/dbraw/zinc/94/37/46/563943746.db2.gz BBQRVNLGANCMLJ-MRXNPFEDSA-N 1 0 318.323 3.680 50 0 DHAARO c1cc2c(ncnc2NC[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000007980164 563945934 /nfs/dbraw/zinc/94/59/34/563945934.db2.gz ZZFYXEYVPKNIQU-INIZCTEOSA-N 1 0 324.453 3.940 50 0 DHAARO Cc1nc2scc(-c3ccccc3)c2c(NCC[NH+](C)C)n1 ZINC000008147782 563946986 /nfs/dbraw/zinc/94/69/86/563946986.db2.gz UQVRSYLYYJOQTK-UHFFFAOYSA-N 1 0 312.442 3.640 50 0 DHAARO Nc1ncc(C[N@@H+]2CCC[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000670469750 563947238 /nfs/dbraw/zinc/94/72/38/563947238.db2.gz PPDCALCXYZAEPF-LBPRGKRZSA-N 1 0 307.850 3.758 50 0 DHAARO C[NH+](C)CCCNc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000008327595 563947890 /nfs/dbraw/zinc/94/78/90/563947890.db2.gz CYFOUHUGIFYDKI-UHFFFAOYSA-N 1 0 301.459 3.662 50 0 DHAARO C[NH+](C)Cc1cccc(NC(=O)c2sccc2C2CC2)c1 ZINC000067162523 563948573 /nfs/dbraw/zinc/94/85/73/563948573.db2.gz XZDNQNCBUDCFMQ-UHFFFAOYSA-N 1 0 300.427 3.939 50 0 DHAARO CCCc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnc3C)C2)o1 ZINC000670472261 563948977 /nfs/dbraw/zinc/94/89/77/563948977.db2.gz QYSDJSZDLDGFIZ-MRXNPFEDSA-N 1 0 301.434 3.649 50 0 DHAARO Cc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000008613181 563949601 /nfs/dbraw/zinc/94/96/01/563949601.db2.gz YZBKGMQNIOICHR-GOSISDBHSA-N 1 0 314.473 3.866 50 0 DHAARO COc1cccc2c(=O)c(C[N@H+](C)Cc3ccccc3)c(C)[nH]c12 ZINC000008700876 563949816 /nfs/dbraw/zinc/94/98/16/563949816.db2.gz HLHVHTCYEKJRRR-UHFFFAOYSA-N 1 0 322.408 3.889 50 0 DHAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008700902 563949832 /nfs/dbraw/zinc/94/98/32/563949832.db2.gz XRYMUXGFVRVDAZ-UHFFFAOYSA-N 1 0 302.418 3.879 50 0 DHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)c2ccc[nH]2)cc1 ZINC000008939389 563951490 /nfs/dbraw/zinc/95/14/90/563951490.db2.gz UBSXDIIKTZPUDR-SFHVURJKSA-N 1 0 312.413 3.823 50 0 DHAARO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000040158612 563951632 /nfs/dbraw/zinc/95/16/32/563951632.db2.gz HSCZLEZTUNQHHO-FQEVSTJZSA-N 1 0 322.452 3.523 50 0 DHAARO C[N@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000245339448 563952620 /nfs/dbraw/zinc/95/26/20/563952620.db2.gz SXCQNQHUJDUUMR-GVDBMIGSSA-N 1 0 312.413 3.587 50 0 DHAARO C[C@H]([C@H](C)[NH2+]Cc1csc(-c2cccs2)n1)n1cccn1 ZINC000069442841 563952831 /nfs/dbraw/zinc/95/28/31/563952831.db2.gz ZLGVPEIKEWLYQU-NWDGAFQWSA-N 1 0 318.471 3.807 50 0 DHAARO CC[N@@H+](Cc1csc(-c2ccccc2F)n1)C[C@@H]1CCOC1 ZINC000069595336 563953800 /nfs/dbraw/zinc/95/38/00/563953800.db2.gz LEMFZXKIVUNZNJ-ZDUSSCGKSA-N 1 0 320.433 3.808 50 0 DHAARO C[N@@H+]1CCC[C@H](CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000069587117 563953832 /nfs/dbraw/zinc/95/38/32/563953832.db2.gz XIWQXUYQIUFACG-NSHDSACASA-N 1 0 323.849 3.824 50 0 DHAARO O[C@@H](C[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000069737986 563954310 /nfs/dbraw/zinc/95/43/10/563954310.db2.gz XXXVGSWKBKQDCE-YJBOKZPZSA-N 1 0 301.817 3.863 50 0 DHAARO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C)o3)ccc2NC1=O ZINC000174138708 563956362 /nfs/dbraw/zinc/95/63/62/563956362.db2.gz RADOCNDIDVTTEV-LRDDRELGSA-N 1 0 314.385 3.548 50 0 DHAARO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000009912437 563958003 /nfs/dbraw/zinc/95/80/03/563958003.db2.gz BLJYNIAWZKUEJS-RYUDHWBXSA-N 1 0 314.351 3.764 50 0 DHAARO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1OC ZINC000071837178 563958946 /nfs/dbraw/zinc/95/89/46/563958946.db2.gz SYBGPPBJWOUDCB-INIZCTEOSA-N 1 0 301.361 3.620 50 0 DHAARO COc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1OC ZINC000071837141 563958980 /nfs/dbraw/zinc/95/89/80/563958980.db2.gz JDDPJLOVKGQYOG-INIZCTEOSA-N 1 0 301.361 3.620 50 0 DHAARO CC(C)[C@H](C)[N@H+](Cc1csc(-c2ncccn2)n1)C1CC1 ZINC000076675450 563960723 /nfs/dbraw/zinc/96/07/23/563960723.db2.gz ZWIARTOXRIQENA-LBPRGKRZSA-N 1 0 302.447 3.609 50 0 DHAARO C[C@@H](c1cccc(O)c1)[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000077285097 563960792 /nfs/dbraw/zinc/96/07/92/563960792.db2.gz XRUDUXCJBONNPF-AWEZNQCLSA-N 1 0 323.396 3.678 50 0 DHAARO C[C@H](Sc1nc(N)cc(N)[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000078480828 563961035 /nfs/dbraw/zinc/96/10/35/563961035.db2.gz XLFBHXSMODHARP-ZETCQYMHSA-N 1 0 314.336 3.513 50 0 DHAARO CCc1[nH+]c2ccccc2c(N2CCC(n3cncn3)CC2)c1C ZINC000252498595 568413746 /nfs/dbraw/zinc/41/37/46/568413746.db2.gz RFRXZJOBBYJDSO-UHFFFAOYSA-N 1 0 321.428 3.539 50 0 DHAARO CC[NH+](CC)CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000049077124 568415676 /nfs/dbraw/zinc/41/56/76/568415676.db2.gz UUFXSHJGGDNKFJ-UHFFFAOYSA-N 1 0 308.853 3.534 50 0 DHAARO CC(C)CC[NH+]1CCC(c2nnc(-c3ccccc3O)o2)CC1 ZINC000299803973 1013329953 /nfs/dbraw/zinc/32/99/53/1013329953.db2.gz NZPYPFOWDRAXBO-UHFFFAOYSA-N 1 0 315.417 3.668 50 0 DHAARO CC[N@H+](Cc1nc(-c2cccs2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289803133 1014464202 /nfs/dbraw/zinc/46/42/02/1014464202.db2.gz NCEGUIXDQJYNCU-GFCCVEGCSA-N 1 0 321.446 3.578 50 0 DHAARO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000097086147 1015061918 /nfs/dbraw/zinc/06/19/18/1015061918.db2.gz CDILGGYSDIBFRO-RDJZCZTQSA-N 1 0 302.462 3.671 50 0 DHAARO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(C(F)F)nc1 ZINC000850448153 1032516754 /nfs/dbraw/zinc/51/67/54/1032516754.db2.gz QLAVDRUIMQMSLP-SGTLLEGYSA-N 1 0 318.367 3.504 50 0 DHAARO Cc1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000952867824 1032670995 /nfs/dbraw/zinc/67/09/95/1032670995.db2.gz SGAUPIPNUGVCMD-QGZVFWFLSA-N 1 0 319.452 3.887 50 0 DHAARO c1sc(-c2ccccc2)nc1C[NH2+]C1CSCCSC1 ZINC000952970053 1032676059 /nfs/dbraw/zinc/67/60/59/1032676059.db2.gz HBMBQGILKPHWBC-UHFFFAOYSA-N 1 0 322.524 3.748 50 0 DHAARO Cc1cccc(N2CCC([NH2+]Cc3ccnc(C(C)C)n3)CC2)c1 ZINC000952969143 1032680200 /nfs/dbraw/zinc/68/02/00/1032680200.db2.gz IACXSUMVJPIVKI-UHFFFAOYSA-N 1 0 324.472 3.667 50 0 DHAARO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc(C)n1 ZINC000952989405 1032684661 /nfs/dbraw/zinc/68/46/61/1032684661.db2.gz MFUXGAJCEAMRPH-UHFFFAOYSA-N 1 0 309.413 3.547 50 0 DHAARO COC(=O)c1cc(C[NH2+]Cc2c(C)c(C)c(C)c(C)c2C)c[nH]1 ZINC000158864200 1019557657 /nfs/dbraw/zinc/55/76/57/1019557657.db2.gz WKLCEHDOOLLXEK-UHFFFAOYSA-N 1 0 314.429 3.633 50 0 DHAARO CCC[N@@H+](Cc1nc(-c2ccoc2)oc1C)C[C@H]1CCCO1 ZINC000011933977 1019584435 /nfs/dbraw/zinc/58/44/35/1019584435.db2.gz HMDGQQUSQRRGKL-OAHLLOKOSA-N 1 0 304.390 3.634 50 0 DHAARO O=C(CCC(F)(F)F)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012112357 1019885790 /nfs/dbraw/zinc/88/57/90/1019885790.db2.gz DDIADLZHNQSJKT-ZDUSSCGKSA-N 1 0 320.399 3.632 50 0 DHAARO C[C@H](CC(=O)Nc1cc(C[NH+](C)C)ccn1)C1CCCCC1 ZINC000176914819 1019915488 /nfs/dbraw/zinc/91/54/88/1019915488.db2.gz ZABCELCWVOXPSU-CQSZACIVSA-N 1 0 303.450 3.688 50 0 DHAARO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H]2CCCO2)C3)cs1 ZINC000180875998 1020356182 /nfs/dbraw/zinc/35/61/82/1020356182.db2.gz LUUOYTAHPZIKLS-CYBMUJFWSA-N 1 0 320.483 3.717 50 0 DHAARO OC[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000023281785 1020480881 /nfs/dbraw/zinc/48/08/81/1020480881.db2.gz YETALOLVHXGFBT-LJQANCHMSA-N 1 0 311.425 3.612 50 0 DHAARO Cc1cnc(C[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1C(C)C ZINC000575554308 1020976941 /nfs/dbraw/zinc/97/69/41/1020976941.db2.gz GPDJPBUANPSZFT-QGZVFWFLSA-N 1 0 312.461 3.622 50 0 DHAARO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CC1CCOCC1)CC2 ZINC000178282748 1021563035 /nfs/dbraw/zinc/56/30/35/1021563035.db2.gz AGRQCFWPXJSLNN-OAHLLOKOSA-N 1 0 315.335 3.589 50 0 DHAARO CCCn1c(C)cnc1C[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581805955 1021846998 /nfs/dbraw/zinc/84/69/98/1021846998.db2.gz IYEBAOMJQFPACK-LJQANCHMSA-N 1 0 311.473 3.975 50 0 DHAARO COC1(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CCC1 ZINC000180193809 1022658589 /nfs/dbraw/zinc/65/85/89/1022658589.db2.gz LZTQQUOOLXNUSW-CYBMUJFWSA-N 1 0 317.408 3.540 50 0 DHAARO O=C(Cc1cccs1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000047452082 1023315616 /nfs/dbraw/zinc/31/56/16/1023315616.db2.gz NAYQGQZMPILPTA-UHFFFAOYSA-N 1 0 300.427 3.525 50 0 DHAARO C[C@@H](CNC(=O)Nc1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000012223537 1023380314 /nfs/dbraw/zinc/38/03/14/1023380314.db2.gz IHOSEXFZLLQUKJ-ZDUSSCGKSA-N 1 0 309.841 3.582 50 0 DHAARO CC[C@H](C)NC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000107137896 1023408167 /nfs/dbraw/zinc/40/81/67/1023408167.db2.gz PRMXUEOOCRAFFI-JZXOWHBKSA-N 1 0 319.493 3.850 50 0 DHAARO CCC[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000047700711 1023684507 /nfs/dbraw/zinc/68/45/07/1023684507.db2.gz WHORDNDDDSXQGD-UHFFFAOYSA-N 1 0 321.774 3.676 50 0 DHAARO CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000236765523 1023822314 /nfs/dbraw/zinc/82/23/14/1023822314.db2.gz PSTAENYGUSOYGN-KRWDZBQOSA-N 1 0 316.832 3.607 50 0 DHAARO COCc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)ccc1F ZINC000178483574 1024039434 /nfs/dbraw/zinc/03/94/34/1024039434.db2.gz HYADFKBMYJSGPH-ZDUSSCGKSA-N 1 0 315.388 3.758 50 0 DHAARO Fc1ccc(NC2CC[NH+](Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000888100571 1024705922 /nfs/dbraw/zinc/70/59/22/1024705922.db2.gz YKGHCXBCCDKCED-UHFFFAOYSA-N 1 0 315.392 3.768 50 0 DHAARO Cc1cc(C[N@H+](C)Cc2c[nH]nc2-c2cccc(F)c2)ccn1 ZINC000216455785 1025258371 /nfs/dbraw/zinc/25/83/71/1025258371.db2.gz XIQAPYXTKJJCNF-UHFFFAOYSA-N 1 0 310.376 3.551 50 0 DHAARO O=C1CCC(C[NH+]2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC000239667472 1025527152 /nfs/dbraw/zinc/52/71/52/1025527152.db2.gz BQHGKICYAVTCIR-UHFFFAOYSA-N 1 0 303.421 3.840 50 0 DHAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cccc(OCCO)c1 ZINC000055035883 1025531277 /nfs/dbraw/zinc/53/12/77/1025531277.db2.gz DVZIGLQEMIWXOT-OAHLLOKOSA-N 1 0 319.470 3.920 50 0 DHAARO C[NH+]1CCC2(CC1)N=C(c1ccc(C(C)(C)C)cc1)C(=S)N2 ZINC000067172589 1025637627 /nfs/dbraw/zinc/63/76/27/1025637627.db2.gz URSXYWGTYABNDV-UHFFFAOYSA-N 1 0 315.486 3.537 50 0 DHAARO Cc1cccn2cc(C[S@](=O)C/C=C\c3ccccc3)nc12 ZINC000221840372 1026101871 /nfs/dbraw/zinc/10/18/71/1026101871.db2.gz FYNFUAUUVIODCR-RWKBYAJOSA-N 1 0 310.422 3.605 50 0 DHAARO C[N@@H+]1CCN(C/C=C\c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000222084097 1026136273 /nfs/dbraw/zinc/13/62/73/1026136273.db2.gz QVTWPJZKSRILMC-WAYWQWQTSA-N 1 0 302.437 3.789 50 0 DHAARO FC(F)(F)CCC(CCC(F)(F)F)[NH2+]CCn1ccnc1 ZINC000863983645 1028157158 /nfs/dbraw/zinc/15/71/58/1028157158.db2.gz KQSZTQVOOMYZHH-UHFFFAOYSA-N 1 0 317.277 3.526 50 0 DHAARO CC(C)c1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)n1 ZINC000131623572 1028581808 /nfs/dbraw/zinc/58/18/08/1028581808.db2.gz LMAPLHHMRTVZCD-HXUWFJFHSA-N 1 0 310.441 3.687 50 0 DHAARO C[C@H]([NH2+]C[C@H]1CCSC1)c1nc2ccccc2n1C(F)F ZINC000585079624 1029620775 /nfs/dbraw/zinc/62/07/75/1029620775.db2.gz NNBAZWWVTZYVBS-WDEREUQCSA-N 1 0 311.401 3.835 50 0 DHAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cnc3n1CCCC3)CCCO2 ZINC000585081437 1029625823 /nfs/dbraw/zinc/62/58/23/1029625823.db2.gz HWTUEPAMSWZZRX-KRWDZBQOSA-N 1 0 311.429 3.531 50 0 DHAARO c1cncc(-c2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)c1 ZINC000032534881 1035848302 /nfs/dbraw/zinc/84/83/02/1035848302.db2.gz DTGIKYVYXMUROF-UHFFFAOYSA-N 1 0 318.376 3.767 50 0 DHAARO CC(C)C(=O)N1CCC2(C[N@@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000169786998 1040885267 /nfs/dbraw/zinc/88/52/67/1040885267.db2.gz VQGUNPOKVUFDMK-SFHVURJKSA-N 1 0 314.473 3.717 50 0 DHAARO Cc1cccc(Cl)c1NC(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000095498159 185374498 /nfs/dbraw/zinc/37/44/98/185374498.db2.gz QRVDAVAKGPXZNF-ZDUSSCGKSA-N 1 0 321.852 3.739 50 0 DHAARO C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cccc2ccccc21 ZINC000079000546 185143934 /nfs/dbraw/zinc/14/39/34/185143934.db2.gz DZALNNOSSXEZSZ-GFCCVEGCSA-N 1 0 310.422 3.851 50 0 DHAARO CCc1ncc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)s1 ZINC000079053234 185150302 /nfs/dbraw/zinc/15/03/02/185150302.db2.gz ZKRQTSVPAQFRNX-UHFFFAOYSA-N 1 0 320.433 3.640 50 0 DHAARO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3CC3CC3)C2)c1 ZINC000082166824 185174441 /nfs/dbraw/zinc/17/44/41/185174441.db2.gz LQMTXLVGXQZTLJ-LJQANCHMSA-N 1 0 309.457 3.981 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)[C@H](CC)C1 ZINC000089949003 185271264 /nfs/dbraw/zinc/27/12/64/185271264.db2.gz MYISRYVKJWFWIP-YLJYHZDGSA-N 1 0 324.468 3.967 50 0 DHAARO CCCn1nc(C)c(C[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c1C ZINC000095414135 185358458 /nfs/dbraw/zinc/35/84/58/185358458.db2.gz FVLQODLKOSQCAO-UHFFFAOYSA-N 1 0 323.444 3.590 50 0 DHAARO C[C@@H]([NH2+]CCCn1ccnc1)c1nc(-c2ccccc2)cs1 ZINC000095419105 185359924 /nfs/dbraw/zinc/35/99/24/185359924.db2.gz UVEPHHNWSUNNCS-CQSZACIVSA-N 1 0 312.442 3.748 50 0 DHAARO c1cnn(-c2cc(C[NH2+][C@@H]3CCSc4ccccc43)ccn2)c1 ZINC000095420076 185360045 /nfs/dbraw/zinc/36/00/45/185360045.db2.gz FHLWWHHLXFSYMM-MRXNPFEDSA-N 1 0 322.437 3.594 50 0 DHAARO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CCOCC1 ZINC000095420727 185360550 /nfs/dbraw/zinc/36/05/50/185360550.db2.gz NSSMWYPJMGBSEG-LBPRGKRZSA-N 1 0 312.251 3.539 50 0 DHAARO C[C@H](CCn1cncn1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000095421073 185360601 /nfs/dbraw/zinc/36/06/01/185360601.db2.gz IRRGBWPQHMTZHE-BXUZGUMPSA-N 1 0 322.865 3.537 50 0 DHAARO C[C@@H]1C[C@H]([NH2+]CCCc2cnn(C)c2)c2ccccc2S1 ZINC000095421666 185360652 /nfs/dbraw/zinc/36/06/52/185360652.db2.gz GENVDDMUZVGLPL-CJNGLKHVSA-N 1 0 301.459 3.568 50 0 DHAARO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cncc(F)c1 ZINC000095421701 185360941 /nfs/dbraw/zinc/36/09/41/185360941.db2.gz SMSYHPZVZHSWII-GFCCVEGCSA-N 1 0 319.449 3.839 50 0 DHAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000095423637 185361219 /nfs/dbraw/zinc/36/12/19/185361219.db2.gz BWGRJYMAQGUNDJ-IFIYUWNVSA-N 1 0 311.516 3.795 50 0 DHAARO Cc1cc(N(C)CCC2CC2)nc([C@H](C)[N@H+](C)CCC2CC2)n1 ZINC000095452733 185369166 /nfs/dbraw/zinc/36/91/66/185369166.db2.gz QQKZAWVVDDGGFZ-HNNXBMFYSA-N 1 0 316.493 3.814 50 0 DHAARO Cc1ccc(C)c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000095440195 185365932 /nfs/dbraw/zinc/36/59/32/185365932.db2.gz YBIBXFRXPKTPES-BTYIYWSLSA-N 1 0 301.455 3.892 50 0 DHAARO CC[C@H]1CN(Cc2cc3cc(C)ccc3n2C)CC[N@@H+]1C(C)C ZINC000072162178 191062037 /nfs/dbraw/zinc/06/20/37/191062037.db2.gz GVGBJBVEHFMKIB-SFHVURJKSA-N 1 0 313.489 3.791 50 0 DHAARO CC(C)C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072166274 191064651 /nfs/dbraw/zinc/06/46/51/191064651.db2.gz IKTICHBCOIBYIN-UHFFFAOYSA-N 1 0 301.352 3.645 50 0 DHAARO CC(=O)c1cccc(-n2ccnc2-c2cccc(C[NH+](C)C)c2)c1 ZINC000072166375 191065241 /nfs/dbraw/zinc/06/52/41/191065241.db2.gz CDYXGLRWMUJDGT-UHFFFAOYSA-N 1 0 319.408 3.804 50 0 DHAARO C[C@H](CC[NH+]1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000225584704 186280319 /nfs/dbraw/zinc/28/03/19/186280319.db2.gz ZTLYKZYTKZAMLB-QZTJIDSGSA-N 1 0 317.473 3.698 50 0 DHAARO C[C@H](CC[NH+]1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 ZINC000225584664 186280441 /nfs/dbraw/zinc/28/04/41/186280441.db2.gz ZTLYKZYTKZAMLB-MSOLQXFVSA-N 1 0 317.473 3.698 50 0 DHAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237459587 186293146 /nfs/dbraw/zinc/29/31/46/186293146.db2.gz VZDBZZIDDKUOBW-RYUDHWBXSA-N 1 0 320.820 3.594 50 0 DHAARO COc1ccc(CN2CCCC[C@@H]2CC[NH+](C)C)cc1Cl ZINC000072463495 191174750 /nfs/dbraw/zinc/17/47/50/191174750.db2.gz HKTCCWBKVGKKEO-OAHLLOKOSA-N 1 0 310.869 3.655 50 0 DHAARO Cc1cc2cccc(C(=O)N3CCCC[C@@H]3CC[NH+](C)C)c2o1 ZINC000072473626 191174998 /nfs/dbraw/zinc/17/49/98/191174998.db2.gz OYGQVBRSJFTOMS-MRXNPFEDSA-N 1 0 314.429 3.688 50 0 DHAARO Cc1cc(C)nc(N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072478105 191180097 /nfs/dbraw/zinc/18/00/97/191180097.db2.gz HLEZDSUPURBVTL-LJQANCHMSA-N 1 0 324.472 3.603 50 0 DHAARO COc1ccc(CCNC(=[NH2+])[C@H](C)c2ccccc2)cc1OC ZINC000000502500 180808785 /nfs/dbraw/zinc/80/87/85/180808785.db2.gz HIOYAHWBPJRPHG-CQSZACIVSA-N 1 0 312.413 3.617 50 0 DHAARO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000073052024 191273194 /nfs/dbraw/zinc/27/31/94/191273194.db2.gz ASFIILPESQKESB-OAHLLOKOSA-N 1 0 305.422 3.503 50 0 DHAARO CC[C@@H](C)[NH2+]CCOc1ccc(Br)cc1Cl ZINC000002824072 180961933 /nfs/dbraw/zinc/96/19/33/180961933.db2.gz SVNGPLJLOSYAIH-SECBINFHSA-N 1 0 306.631 3.869 50 0 DHAARO CC(C)(C)[NH2+]CCOc1ccc(Br)cc1Cl ZINC000003003431 180976688 /nfs/dbraw/zinc/97/66/88/180976688.db2.gz WEXKZXSITRPJJM-UHFFFAOYSA-N 1 0 306.631 3.869 50 0 DHAARO CCc1cccc(CC)c1NC(=O)C[NH2+]Cc1cccs1 ZINC000003339087 181008268 /nfs/dbraw/zinc/00/82/68/181008268.db2.gz QNTNNMPLGFOFOE-UHFFFAOYSA-N 1 0 302.443 3.601 50 0 DHAARO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000003343609 181009412 /nfs/dbraw/zinc/00/94/12/181009412.db2.gz CEONVQJNAZKJEP-UHFFFAOYSA-N 1 0 310.825 3.552 50 0 DHAARO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000003443532 181020195 /nfs/dbraw/zinc/02/01/95/181020195.db2.gz OYCJQUVRJNGLKX-LJQANCHMSA-N 1 0 324.424 3.861 50 0 DHAARO CC(=O)N[C@]1(c2ccccc2)CC[N@@H+](C)[C@@H](c2ccccc2)[C@H]1C ZINC000004011761 181062209 /nfs/dbraw/zinc/06/22/09/181062209.db2.gz LTMCHGVWSAGBIT-MAODMQOUSA-N 1 0 322.452 3.731 50 0 DHAARO CC[NH+](CC)CCN(C(C)=O)c1nc2cc(C)cc(C)c2s1 ZINC000004359499 181101964 /nfs/dbraw/zinc/10/19/64/181101964.db2.gz AAIPCGIOIJEFOT-UHFFFAOYSA-N 1 0 319.474 3.608 50 0 DHAARO c1ccc(-c2nc3ccccc3c(NCC[NH+]3CCCC3)n2)cc1 ZINC000004541733 181121683 /nfs/dbraw/zinc/12/16/83/181121683.db2.gz WQQOFYNHQPRAIT-UHFFFAOYSA-N 1 0 318.424 3.805 50 0 DHAARO FC(F)(F)c1ccc(CN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000004710729 181141108 /nfs/dbraw/zinc/14/11/08/181141108.db2.gz WJFFCDWBNBAZKV-UHFFFAOYSA-N 1 0 317.314 3.902 50 0 DHAARO FC(F)(F)c1ccccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000004745762 181147047 /nfs/dbraw/zinc/14/70/47/181147047.db2.gz TVEYXIYXOKLJTQ-UHFFFAOYSA-N 1 0 312.379 3.766 50 0 DHAARO C[NH+](C)CCOC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000004794761 181152528 /nfs/dbraw/zinc/15/25/28/181152528.db2.gz VBJALSNRSMMLOO-UHFFFAOYSA-N 1 0 311.596 3.757 50 0 DHAARO C[NH+]1C(C)(C)CC(NC(=O)Nc2ccc(F)cc2)CC1(C)C ZINC000004895826 181169120 /nfs/dbraw/zinc/16/91/20/181169120.db2.gz WIGGKTGWQLSJFZ-UHFFFAOYSA-N 1 0 307.413 3.599 50 0 DHAARO COc1ccc(CC[C@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000004989466 181185845 /nfs/dbraw/zinc/18/58/45/181185845.db2.gz BCIZWOFSFPFXGL-HNNXBMFYSA-N 1 0 301.405 3.988 50 0 DHAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000005073471 181201239 /nfs/dbraw/zinc/20/12/39/181201239.db2.gz FXAIWIDYRBAWFK-PBHICJAKSA-N 1 0 319.832 3.739 50 0 DHAARO CC1CC[NH+](CCOCCOc2ccc3ccccc3c2)CC1 ZINC000005102257 181203752 /nfs/dbraw/zinc/20/37/52/181203752.db2.gz OLXYINYMDCLYRQ-UHFFFAOYSA-N 1 0 313.441 3.967 50 0 DHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)Nc1c[nH]c2ccccc12 ZINC000005299866 181227552 /nfs/dbraw/zinc/22/75/52/181227552.db2.gz HBNQHDFVUDBCCV-AWEZNQCLSA-N 1 0 316.449 3.800 50 0 DHAARO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000005696612 181273301 /nfs/dbraw/zinc/27/33/01/181273301.db2.gz XMKSAGCGRQFRHW-LLVKDONJSA-N 1 0 300.324 3.518 50 0 DHAARO C[NH+](C)CC/C=C1\c2ccccc2C[S@@](=O)c2ccccc21 ZINC000005764822 181281502 /nfs/dbraw/zinc/28/15/02/181281502.db2.gz NBNPVRZHUPMVQS-BVZCLVNKSA-N 1 0 311.450 3.691 50 0 DHAARO CCC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(C(F)(F)F)c1 ZINC000005818913 181287005 /nfs/dbraw/zinc/28/70/05/181287005.db2.gz KGOIKOVSEVRHNH-LLVKDONJSA-N 1 0 324.774 3.753 50 0 in-vitro DHAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc3ccccc3s2)C1 ZINC000188156543 200201835 /nfs/dbraw/zinc/20/18/35/200201835.db2.gz BMHLVSKIGLAEOX-OCCSQVGLSA-N 1 0 302.443 3.563 50 0 DHAARO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000237687451 202327956 /nfs/dbraw/zinc/32/79/56/202327956.db2.gz WITIWHTWCLSDHD-NWDGAFQWSA-N 1 0 320.820 3.656 50 0 DHAARO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH+]1CCCCCC1 ZINC000006059311 181309095 /nfs/dbraw/zinc/30/90/95/181309095.db2.gz YGPNEIVSLKNXKA-UHFFFAOYSA-N 1 0 316.426 3.915 50 0 DHAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C1CCCCC1 ZINC000006284958 181326244 /nfs/dbraw/zinc/32/62/44/181326244.db2.gz KUCXLTVQCVLNGY-NSHDSACASA-N 1 0 310.825 3.598 50 0 DHAARO C[C@H](CCn1cncn1)[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000090034598 192920951 /nfs/dbraw/zinc/92/09/51/192920951.db2.gz HLDUSLIEUJBYKV-VXGBXAGGSA-N 1 0 318.808 3.807 50 0 DHAARO Cc1cc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)ccc1C(C)C ZINC000006425094 181339942 /nfs/dbraw/zinc/33/99/42/181339942.db2.gz YUQUOARDRCHJKB-DLBZAZTESA-N 1 0 305.462 3.733 50 0 DHAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000195541212 201401837 /nfs/dbraw/zinc/40/18/37/201401837.db2.gz YXAPHSUDXGTWLZ-HLBODDRNSA-N 1 0 305.553 3.576 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000006626663 181362363 /nfs/dbraw/zinc/36/23/63/181362363.db2.gz SZXXXOBSIGXURT-AAEUAGOBSA-N 1 0 318.244 3.608 50 0 DHAARO CC[C@H](C)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000006731244 181378985 /nfs/dbraw/zinc/37/89/85/181378985.db2.gz LTADXZKUHAHAGS-HNNXBMFYSA-N 1 0 303.450 3.808 50 0 DHAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000006741142 181380629 /nfs/dbraw/zinc/38/06/29/181380629.db2.gz NXTXNKVWTSFFHI-UHFFFAOYSA-N 1 0 309.841 3.644 50 0 DHAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C)c1 ZINC000006877288 181399988 /nfs/dbraw/zinc/39/99/88/181399988.db2.gz CMJZIODWWNXNKU-UHFFFAOYSA-N 1 0 315.461 3.643 50 0 DHAARO CC1(C)C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@]1(C)O ZINC000091594183 193077817 /nfs/dbraw/zinc/07/78/17/193077817.db2.gz SPSCCJRCFSBNES-HNNXBMFYSA-N 1 0 317.351 3.568 50 0 DHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000249276171 202794833 /nfs/dbraw/zinc/79/48/33/202794833.db2.gz MBRAPPMKHXNEQR-ZOBORPQBSA-N 1 0 323.424 3.752 50 0 DHAARO CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2cc(OC)ccc21 ZINC000008743586 181581742 /nfs/dbraw/zinc/58/17/42/181581742.db2.gz IKOYSHPJZLFADV-UHFFFAOYSA-N 1 0 307.417 3.973 50 0 DHAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccsc1 ZINC000012576326 181779090 /nfs/dbraw/zinc/77/90/90/181779090.db2.gz COBGIMCZKMGGGK-HNNXBMFYSA-N 1 0 306.475 3.665 50 0 DHAARO c1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000012893805 181808166 /nfs/dbraw/zinc/80/81/66/181808166.db2.gz NRTMPMOIKZXEKE-UHFFFAOYSA-N 1 0 303.409 3.557 50 0 DHAARO CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000016606812 182052844 /nfs/dbraw/zinc/05/28/44/182052844.db2.gz MJMWCVSFUJDHBD-MRXNPFEDSA-N 1 0 302.462 3.512 50 0 DHAARO COc1cc2[nH+]c(N3CCCCCC3)cc(C)c2c(OC)c1 ZINC000016667832 182056969 /nfs/dbraw/zinc/05/69/69/182056969.db2.gz IWDMMVQKPKMGIY-UHFFFAOYSA-N 1 0 300.402 3.941 50 0 DHAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)NCCC1=CCCCC1 ZINC000016695448 182057832 /nfs/dbraw/zinc/05/78/32/182057832.db2.gz YXEMIKLXKXCMNF-LJQANCHMSA-N 1 0 312.457 3.660 50 0 DHAARO CCc1ccc(CN2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000019359440 182118881 /nfs/dbraw/zinc/11/88/81/182118881.db2.gz IOSGVSNXYJVSHE-FXAWDEMLSA-N 1 0 300.490 3.945 50 0 DHAARO COc1cccc(CC[NH2+]Cc2cccc(Br)c2)c1 ZINC000019720526 182138463 /nfs/dbraw/zinc/13/84/63/182138463.db2.gz OZSHKXQIJYMSJG-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO CSc1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019842554 182155979 /nfs/dbraw/zinc/15/59/79/182155979.db2.gz MUAMSZXLXZJADT-QGZVFWFLSA-N 1 0 316.514 3.882 50 0 DHAARO COc1cccc(CN2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000019788311 182148634 /nfs/dbraw/zinc/14/86/34/182148634.db2.gz DOYNEOFITQPRMC-UHFFFAOYSA-N 1 0 302.462 3.536 50 0 DHAARO Cc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000019832096 182154507 /nfs/dbraw/zinc/15/45/07/182154507.db2.gz WEPZQTVRQQNVED-UHFFFAOYSA-N 1 0 314.860 3.966 50 0 DHAARO CCCC[NH2+][C@@H]1C(C)=C(C)C(=O)N1[C@H](C)CCc1ccccc1 ZINC000020058092 182184534 /nfs/dbraw/zinc/18/45/34/182184534.db2.gz SSBLOYDKKYDGAY-BEFAXECRSA-N 1 0 314.473 3.902 50 0 DHAARO CC[NH+]1CCN(CCOc2ccc(Cl)cc2C(C)(C)C)CC1 ZINC000020389831 182213327 /nfs/dbraw/zinc/21/33/27/182213327.db2.gz LZLYWWBJJMMILR-UHFFFAOYSA-N 1 0 324.896 3.654 50 0 DHAARO c1coc(C[N@@H+]2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)c1 ZINC000020512222 182225918 /nfs/dbraw/zinc/22/59/18/182225918.db2.gz HGAHWGBYEUHTJM-KRWDZBQOSA-N 1 0 321.424 3.973 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000020549647 182230385 /nfs/dbraw/zinc/23/03/85/182230385.db2.gz QINSVRMMPBYANP-UHFFFAOYSA-N 1 0 315.244 3.596 50 0 DHAARO CC(C)Oc1ccc([C@@H](CC[NH+]2CCN(C)CC2)C(C)C)cc1 ZINC000020589781 182235654 /nfs/dbraw/zinc/23/56/54/182235654.db2.gz VQJJGCNIZPNNAP-FQEVSTJZSA-N 1 0 318.505 3.851 50 0 DHAARO c1cncc([C@@H]2CCCC[N@H+]2Cc2ccc3c(c2)OCCO3)c1 ZINC000022078442 182308704 /nfs/dbraw/zinc/30/87/04/182308704.db2.gz TYVLUXFYNPKKEL-KRWDZBQOSA-N 1 0 310.397 3.580 50 0 DHAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CCCCC1 ZINC000022455378 182321867 /nfs/dbraw/zinc/32/18/67/182321867.db2.gz IPVAQYBSKJLMME-CQSZACIVSA-N 1 0 314.395 3.712 50 0 DHAARO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(-n2cncn2)cc1 ZINC000022817008 182335669 /nfs/dbraw/zinc/33/56/69/182335669.db2.gz WVZFLCIWABOYCD-NSHDSACASA-N 1 0 318.833 3.833 50 0 DHAARO Cc1ccccc1NC(=S)NC[C@H](c1cccs1)[NH+](C)C ZINC000023243243 182353597 /nfs/dbraw/zinc/35/35/97/182353597.db2.gz BHUHJRLAHARVJP-CQSZACIVSA-N 1 0 319.499 3.646 50 0 DHAARO OCC[C@@H]1CN(CC2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000023374173 182357887 /nfs/dbraw/zinc/35/78/87/182357887.db2.gz VNASBOLHKIJHSV-HXUWFJFHSA-N 1 0 322.537 3.516 50 0 DHAARO CSc1ccccc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025329186 182409514 /nfs/dbraw/zinc/40/95/14/182409514.db2.gz AZYCZCFSABPKHQ-AWEZNQCLSA-N 1 0 320.483 3.503 50 0 DHAARO CC1CC[NH+](CCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000028068772 182507168 /nfs/dbraw/zinc/50/71/68/182507168.db2.gz JPHKLEADWYZKAO-UHFFFAOYSA-N 1 0 316.470 3.753 50 0 DHAARO c1ccc([C@@H](C[NH+]2CCCC2)Nc2ncnc3ccccc32)cc1 ZINC000032770053 182661642 /nfs/dbraw/zinc/66/16/42/182661642.db2.gz YWVKDFGHMVMCNL-LJQANCHMSA-N 1 0 318.424 3.879 50 0 DHAARO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000040002638 183027240 /nfs/dbraw/zinc/02/72/40/183027240.db2.gz PTLLDARMZVXRNV-OAHLLOKOSA-N 1 0 316.470 3.502 50 0 DHAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000040110337 183037153 /nfs/dbraw/zinc/03/71/53/183037153.db2.gz ZMQBFUQUPRFWIQ-QGZVFWFLSA-N 1 0 322.452 3.815 50 0 DHAARO Clc1cc(Br)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772256 183306662 /nfs/dbraw/zinc/30/66/62/183306662.db2.gz CKAPMCKFVWBRDN-SNVBAGLBSA-N 1 0 318.642 3.871 50 0 DHAARO COc1ccc([C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c(OC)c1 ZINC000042926788 183319150 /nfs/dbraw/zinc/31/91/50/183319150.db2.gz LZANOVSWANCXJZ-CYBMUJFWSA-N 1 0 317.433 3.506 50 0 DHAARO CCc1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042770574 183307073 /nfs/dbraw/zinc/30/70/73/183307073.db2.gz NRNFDROSCVDTOA-UHFFFAOYSA-N 1 0 312.251 3.780 50 0 DHAARO CC(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000105655303 194118056 /nfs/dbraw/zinc/11/80/56/194118056.db2.gz OZRVVVJFFFLTPJ-KSSFIOAISA-N 1 0 306.425 3.513 50 0 DHAARO CC[NH+](CC)CC1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000049075181 183710815 /nfs/dbraw/zinc/71/08/15/183710815.db2.gz WTKPFVUVAYXBQN-UHFFFAOYSA-N 1 0 316.489 3.590 50 0 DHAARO CCc1oc(C(=O)N2CCC[C@H]2CC)cc1C[NH+](CC)CC ZINC000055099754 183964471 /nfs/dbraw/zinc/96/44/71/183964471.db2.gz LOPRMLDDKBCRNJ-OAHLLOKOSA-N 1 0 306.450 3.698 50 0 DHAARO CSc1ccc(-c2noc(C[NH+]3CCC(C)CC3)n2)cc1 ZINC000057427603 184038140 /nfs/dbraw/zinc/03/81/40/184038140.db2.gz KKNTXOAAKSUUHQ-UHFFFAOYSA-N 1 0 303.431 3.690 50 0 DHAARO CC[NH+]1CCC(N(C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000057529809 184041292 /nfs/dbraw/zinc/04/12/92/184041292.db2.gz LLHLOYONHDCWJB-UHFFFAOYSA-N 1 0 311.429 3.788 50 0 DHAARO C[N@H+](CCOc1ccc(F)cc1)C[C@H](O)c1ccccc1Cl ZINC000058562936 184122660 /nfs/dbraw/zinc/12/26/60/184122660.db2.gz NMBSOZNGKRHKAZ-KRWDZBQOSA-N 1 0 323.795 3.523 50 0 DHAARO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000059578278 184139745 /nfs/dbraw/zinc/13/97/45/184139745.db2.gz GSOXCCXZVROLMH-FQEVSTJZSA-N 1 0 322.452 3.953 50 0 DHAARO CCc1ccsc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000059983828 184143497 /nfs/dbraw/zinc/14/34/97/184143497.db2.gz WHGLHZKRUATWFI-CYBMUJFWSA-N 1 0 308.491 3.551 50 0 DHAARO Cc1c([C@H](C)[NH2+]Cc2cccnc2)cnn1-c1ccc(F)cc1 ZINC000062420791 184235182 /nfs/dbraw/zinc/23/51/82/184235182.db2.gz TWXRHQPVISYILP-ZDUSSCGKSA-N 1 0 310.376 3.566 50 0 DHAARO Cc1c([C@H](C)[NH2+]Cc2ccncc2)cnn1-c1ccc(F)cc1 ZINC000062420805 184235200 /nfs/dbraw/zinc/23/52/00/184235200.db2.gz KSGHIKKHDKOFBP-ZDUSSCGKSA-N 1 0 310.376 3.566 50 0 DHAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000064053586 184292240 /nfs/dbraw/zinc/29/22/40/184292240.db2.gz RSFHCLPDFWOTOY-LBPRGKRZSA-N 1 0 310.426 3.759 50 0 DHAARO Cc1ccc(C)c(CC[NH2+]CC(=O)Nc2cc(C)ccc2F)c1 ZINC000065374592 184331262 /nfs/dbraw/zinc/33/12/62/184331262.db2.gz MSXLCMZNYGLENW-UHFFFAOYSA-N 1 0 314.404 3.522 50 0 DHAARO Clc1ccc(C[NH+]2CCC(CCn3cccn3)CC2)s1 ZINC000065424658 184342738 /nfs/dbraw/zinc/34/27/38/184342738.db2.gz ZCOAKSIGHXZGST-UHFFFAOYSA-N 1 0 309.866 3.900 50 0 DHAARO c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)cn1 ZINC000065451637 184346582 /nfs/dbraw/zinc/34/65/82/184346582.db2.gz OMVGAWSXNCTLTG-SFHVURJKSA-N 1 0 320.440 3.876 50 0 DHAARO Cc1cc(-n2nc(C3CC3)nc2[C@@H]2Cc3ccccc3O2)cc[nH+]1 ZINC000065396155 184335325 /nfs/dbraw/zinc/33/53/25/184335325.db2.gz UOHWIDRHTFJSET-KRWDZBQOSA-N 1 0 318.380 3.524 50 0 DHAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1-c1ccc(=S)[nH]c1 ZINC000065398678 184336622 /nfs/dbraw/zinc/33/66/22/184336622.db2.gz ZGHANQVRNRFIFO-UHFFFAOYSA-N 1 0 309.398 3.573 50 0 DHAARO C[C@@H](c1cccc(-c2ccc(NC(=O)C3CC3)nc2)c1)[NH+](C)C ZINC000065405878 184338451 /nfs/dbraw/zinc/33/84/51/184338451.db2.gz YTLMXXQUDQOCED-ZDUSSCGKSA-N 1 0 309.413 3.720 50 0 DHAARO COc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000065553494 184365529 /nfs/dbraw/zinc/36/55/29/184365529.db2.gz OGDRVNUUYGJSEK-HNNXBMFYSA-N 1 0 324.424 3.673 50 0 DHAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)Nc1cccc(F)c1 ZINC000065575519 184367726 /nfs/dbraw/zinc/36/77/26/184367726.db2.gz WAZHJRLOQLIVMF-INIZCTEOSA-N 1 0 312.388 3.644 50 0 DHAARO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000065586735 184369410 /nfs/dbraw/zinc/36/94/10/184369410.db2.gz FCYSJNTXPBNHDZ-LBPRGKRZSA-N 1 0 315.335 3.605 50 0 DHAARO CC(C)(C)n1cc(C2=CC[N@H+](CCc3ccccc3)CC2)cn1 ZINC000065507616 184356771 /nfs/dbraw/zinc/35/67/71/184356771.db2.gz WAQWPCQGXQDDDL-UHFFFAOYSA-N 1 0 309.457 3.970 50 0 DHAARO Oc1ccc(C2CCC([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000155113171 197023208 /nfs/dbraw/zinc/02/32/08/197023208.db2.gz WRQWNDSBORMSRQ-NXFLIZTESA-N 1 0 315.457 3.966 50 0 DHAARO CCSc1n[nH]c(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426552324 257247285 /nfs/dbraw/zinc/24/72/85/257247285.db2.gz KVEHDHHSFPLSLR-LBPRGKRZSA-N 1 0 302.447 3.741 50 0 DHAARO COc1ccc(O)c(-c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000426388392 257252699 /nfs/dbraw/zinc/25/26/99/257252699.db2.gz KMWRWURAWKKJIV-UHFFFAOYSA-N 1 0 313.397 3.542 50 0 DHAARO C[C@@H](c1cccc(-c2nc(C(F)(F)F)nn2C)c1)[NH+]1CCCC1 ZINC000426388574 257252794 /nfs/dbraw/zinc/25/27/94/257252794.db2.gz UMWPQJVMWJNFKA-NSHDSACASA-N 1 0 324.350 3.658 50 0 DHAARO c1cc(C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)co1 ZINC000023192794 257269147 /nfs/dbraw/zinc/26/91/47/257269147.db2.gz SIEDYBPEVGXLKC-UHFFFAOYSA-N 1 0 321.424 3.973 50 0 DHAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CCCc2nc3ccccc3o2)c1 ZINC000069655253 184832688 /nfs/dbraw/zinc/83/26/88/184832688.db2.gz VAOQJDSUQCONNZ-LSDHHAIUSA-N 1 0 312.417 3.505 50 0 DHAARO FC1(F)CC(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000296752223 131984696 /nfs/dbraw/zinc/98/46/96/131984696.db2.gz KRDGLXUYWVNIMG-UHFFFAOYSA-N 1 0 303.356 3.697 50 0 DHAARO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccc2ccccc2c1 ZINC000007446883 331502682 /nfs/dbraw/zinc/50/26/82/331502682.db2.gz DDVDJWNVLHISBM-INIZCTEOSA-N 1 0 310.441 3.749 50 0 DHAARO Clc1ccc([C@@H]([NH2+]C2CCOCC2)c2cccnc2)cc1 ZINC000534593343 334294914 /nfs/dbraw/zinc/29/49/14/334294914.db2.gz URSFQGVQIOGLDM-QGZVFWFLSA-N 1 0 302.805 3.593 50 0 DHAARO Cc1ccc2[nH]c(CCC[NH2+][C@H]3CCCSC3)nc2c1C ZINC000534642189 334306047 /nfs/dbraw/zinc/30/60/47/334306047.db2.gz UZHCVECMBKXEKK-AWEZNQCLSA-N 1 0 303.475 3.598 50 0 DHAARO c1cn(Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)cn1 ZINC000192653455 341882350 /nfs/dbraw/zinc/88/23/50/341882350.db2.gz WEHHZJRAVVVQHM-GOSISDBHSA-N 1 0 307.397 3.692 50 0 DHAARO Cc1ccc(-c2csc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)s1 ZINC000102662499 525785935 /nfs/dbraw/zinc/78/59/35/525785935.db2.gz WAFQKRCVMDREHJ-YPMHNXCESA-N 1 0 306.456 3.716 50 0 DHAARO C[C@H](Cc1c(F)c(F)c(F)c(F)c1F)[NH2+]Cc1nccs1 ZINC000583651339 563651767 /nfs/dbraw/zinc/65/17/67/563651767.db2.gz LFJMGRUXZIAOEZ-ZCFIWIBFSA-N 1 0 322.302 3.559 50 0 DHAARO C[NH+]1CCC([C@]2(O)CCCSc3ccc(Cl)cc32)CC1 ZINC000075259682 563861612 /nfs/dbraw/zinc/86/16/12/563861612.db2.gz LETNNPBCRUBGRD-MRXNPFEDSA-N 1 0 311.878 3.755 50 0 DHAARO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1cnc(C)s1 ZINC000170056718 563903279 /nfs/dbraw/zinc/90/32/79/563903279.db2.gz GWNXHFYUZMKKFN-QMTHXVAHSA-N 1 0 304.415 3.635 50 0 DHAARO COc1cc(C[NH2+]Cc2ccc(SC)cc2)cc(OC)c1 ZINC000000172192 563227607 /nfs/dbraw/zinc/22/76/07/563227607.db2.gz QQQBKKSIWXTIBX-UHFFFAOYSA-N 1 0 303.427 3.716 50 0 DHAARO O=C(NCC[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000000198872 563229775 /nfs/dbraw/zinc/22/97/75/563229775.db2.gz DMWPXNXPANKPGY-UHFFFAOYSA-N 1 0 322.861 3.770 50 0 DHAARO COc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000000556307 563266068 /nfs/dbraw/zinc/26/60/68/563266068.db2.gz YHLLAOPUUNDWCI-UHFFFAOYSA-N 1 0 324.424 3.933 50 0 DHAARO C[C@H]1C(c2cccs2)[N+](=O)[C@](C)(c2ccc(Cl)cc2)N1O ZINC000001152032 563278490 /nfs/dbraw/zinc/27/84/90/563278490.db2.gz PNYRXTISNSZHDQ-ZUZCIYMTSA-N 1 0 322.817 3.667 50 0 DHAARO CCOc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000001227458 563280070 /nfs/dbraw/zinc/28/00/70/563280070.db2.gz RLEQYWMWAJUIGZ-UHFFFAOYSA-N 1 0 310.441 3.716 50 0 DHAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001456777 563284147 /nfs/dbraw/zinc/28/41/47/563284147.db2.gz VNTNOLGODDWLEJ-YOEHRIQHSA-N 1 0 320.864 3.677 50 0 DHAARO CC[NH+](CC)CCN(C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000001726487 563293898 /nfs/dbraw/zinc/29/38/98/563293898.db2.gz WQPLHXSSUBPMGT-UHFFFAOYSA-N 1 0 324.468 3.619 50 0 DHAARO Fc1ccc(N2CCC([NH2+]CCCC[C@@H]3CCCO3)CC2)cc1 ZINC000584901520 563297479 /nfs/dbraw/zinc/29/74/79/563297479.db2.gz RBGLOXHBCJMVNK-LJQANCHMSA-N 1 0 320.452 3.733 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000002164634 563301016 /nfs/dbraw/zinc/30/10/16/563301016.db2.gz LWGPQGCCDUPZBP-CYBMUJFWSA-N 1 0 309.841 3.726 50 0 DHAARO C[C@H](CCc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000003683573 563325979 /nfs/dbraw/zinc/32/59/79/563325979.db2.gz CDARRQFNEBYXLP-QGZVFWFLSA-N 1 0 312.432 3.969 50 0 DHAARO CCCCOc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)cc1 ZINC000584904394 563338777 /nfs/dbraw/zinc/33/87/77/563338777.db2.gz COKPFBSWXKLWQT-APWZRJJASA-N 1 0 302.462 3.534 50 0 DHAARO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062788 563351565 /nfs/dbraw/zinc/35/15/65/563351565.db2.gz YCUVGTZSPPRPQR-UHFFFAOYSA-N 1 0 312.388 3.676 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH2+]C2CCCCC2)c1 ZINC000009970624 563355191 /nfs/dbraw/zinc/35/51/91/563355191.db2.gz PXSXERKKHNSNOZ-QGZVFWFLSA-N 1 0 305.462 3.780 50 0 DHAARO COc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010338366 563355779 /nfs/dbraw/zinc/35/57/79/563355779.db2.gz HQFVFPIUQDZELY-UHFFFAOYSA-N 1 0 324.424 3.933 50 0 DHAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2ccccc21 ZINC000010449408 563356574 /nfs/dbraw/zinc/35/65/74/563356574.db2.gz UCPOSIKPOIFHNW-UHFFFAOYSA-N 1 0 320.436 3.875 50 0 DHAARO OCC1(CCCc2ccccc2)CC[NH+]([C@@H]2CCSC2)CC1 ZINC000011947374 563361086 /nfs/dbraw/zinc/36/10/86/563361086.db2.gz ZJFHEZSUAHCNBJ-GOSISDBHSA-N 1 0 319.514 3.589 50 0 DHAARO Cc1oc(-c2ccoc2)nc1C[N@H+](CC1CC1)C[C@@H]1CCCO1 ZINC000012208079 563364597 /nfs/dbraw/zinc/36/45/97/563364597.db2.gz RVOGEOUIPAOAJK-INIZCTEOSA-N 1 0 316.401 3.634 50 0 DHAARO COc1ccc(-c2noc(C[N@H+](C)C3CCCCC3)n2)cc1 ZINC000012386974 563368284 /nfs/dbraw/zinc/36/82/84/563368284.db2.gz UBRZGTBWOJAPTC-UHFFFAOYSA-N 1 0 301.390 3.510 50 0 DHAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000012458815 563370059 /nfs/dbraw/zinc/37/00/59/563370059.db2.gz GEHXVKCRMFFFPT-HNNXBMFYSA-N 1 0 318.436 3.600 50 0 DHAARO Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012939623 563375114 /nfs/dbraw/zinc/37/51/14/563375114.db2.gz HUHGDKCLOCANDO-LJQANCHMSA-N 1 0 323.440 3.954 50 0 DHAARO Cc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012979934 563376031 /nfs/dbraw/zinc/37/60/31/563376031.db2.gz WWFIAXDMGLNXHU-LJQANCHMSA-N 1 0 323.440 3.954 50 0 DHAARO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000013056678 563377640 /nfs/dbraw/zinc/37/76/40/563377640.db2.gz JUEDHDJGNFBYDF-RYUDHWBXSA-N 1 0 324.852 3.573 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000013326121 563380656 /nfs/dbraw/zinc/38/06/56/563380656.db2.gz ATVACTMIMBRPDL-UHFFFAOYSA-N 1 0 315.244 3.598 50 0 DHAARO CCn1c2ccccc2c2cc(C[NH2+]CCn3ccnc3)ccc21 ZINC000032735869 563388806 /nfs/dbraw/zinc/38/88/06/563388806.db2.gz OCAVMKVWIDNDMV-UHFFFAOYSA-N 1 0 318.424 3.801 50 0 DHAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](CC(C)(C)CO)C2)cc1 ZINC000015077092 563407030 /nfs/dbraw/zinc/40/70/30/563407030.db2.gz IMTCBIXKJCBWFM-SFHVURJKSA-N 1 0 304.478 3.705 50 0 DHAARO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072050578 563418209 /nfs/dbraw/zinc/41/82/09/563418209.db2.gz VZWBCJJVUDLYCA-MRXNPFEDSA-N 1 0 322.424 3.705 50 0 DHAARO Cc1nc2cc(NC(=O)COc3cccc(C)c3C)ccc2[nH]1 ZINC000010895635 563419660 /nfs/dbraw/zinc/41/96/60/563419660.db2.gz PCGGADINRVFYAL-UHFFFAOYSA-N 1 0 309.369 3.506 50 0 DHAARO CC[NH2+]CCOc1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000023231273 563419830 /nfs/dbraw/zinc/41/98/30/563419830.db2.gz DWJDKTZIIRNSPV-UHFFFAOYSA-N 1 0 307.397 3.732 50 0 DHAARO CCc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)sc1C ZINC000025420091 563423007 /nfs/dbraw/zinc/42/30/07/563423007.db2.gz QDOFSSPEUQCFDL-MRXNPFEDSA-N 1 0 316.470 3.652 50 0 DHAARO CCCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581892 563428620 /nfs/dbraw/zinc/42/86/20/563428620.db2.gz IFEKPPILQYZJHT-SFHVURJKSA-N 1 0 302.462 3.828 50 0 DHAARO CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582702 563428674 /nfs/dbraw/zinc/42/86/74/563428674.db2.gz MYKDRCCAVFCVOT-MRXNPFEDSA-N 1 0 308.853 3.783 50 0 DHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cccs1 ZINC000027584185 563428828 /nfs/dbraw/zinc/42/88/28/563428828.db2.gz GKPSLPOBEAMFHS-CYBMUJFWSA-N 1 0 320.483 3.767 50 0 DHAARO CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582708 563428866 /nfs/dbraw/zinc/42/88/66/563428866.db2.gz MYKDRCCAVFCVOT-INIZCTEOSA-N 1 0 308.853 3.783 50 0 DHAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000027793196 563430290 /nfs/dbraw/zinc/43/02/90/563430290.db2.gz WKQFZTLWDQLJQK-HXUWFJFHSA-N 1 0 322.452 3.870 50 0 DHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000028292017 563431563 /nfs/dbraw/zinc/43/15/63/563431563.db2.gz BOGSOCYYADMCRF-IBGZPJMESA-N 1 0 308.425 3.644 50 0 DHAARO c1cc2c(ncnc2N[C@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000029526858 563434533 /nfs/dbraw/zinc/43/45/33/563434533.db2.gz VBQHWKWTNZGUER-MRXNPFEDSA-N 1 0 324.453 3.940 50 0 DHAARO C[C@H](Cc1ccc(F)cc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022455168 563449811 /nfs/dbraw/zinc/44/98/11/563449811.db2.gz CMJFRSBXJLAIIS-QGZVFWFLSA-N 1 0 312.432 3.575 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1ccc(C)o1)C[C@H](O)COc1ccccc1 ZINC000036097740 563454600 /nfs/dbraw/zinc/45/46/00/563454600.db2.gz CQJRVHSQODLXPZ-RDJZCZTQSA-N 1 0 317.429 3.628 50 0 DHAARO COc1cccc(CC[C@H]2CCC[N@H+](Cc3cnc(C)[nH]3)C2)c1 ZINC000055054567 563470882 /nfs/dbraw/zinc/47/08/82/563470882.db2.gz BPBUTLFAKZAVMF-QGZVFWFLSA-N 1 0 313.445 3.572 50 0 DHAARO Fc1cc(Cl)ccc1-c1ccc(C[NH2+]CCc2c[nH]cn2)o1 ZINC000055167331 563471991 /nfs/dbraw/zinc/47/19/91/563471991.db2.gz KDLOZMYIPCYDPL-UHFFFAOYSA-N 1 0 319.767 3.795 50 0 DHAARO C[N@@H+](Cc1cccc2cnccc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055211246 563472681 /nfs/dbraw/zinc/47/26/81/563472681.db2.gz JJOPFNIZMMCFON-PZJWPPBQSA-N 1 0 323.484 3.931 50 0 DHAARO CCOc1ccc(C[N@H+](Cc2cccnc2NC)C2CC2)cc1 ZINC000055252833 563472856 /nfs/dbraw/zinc/47/28/56/563472856.db2.gz ZRZZULMWFOKMFT-UHFFFAOYSA-N 1 0 311.429 3.687 50 0 DHAARO Cc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)s1 ZINC000055292168 563473526 /nfs/dbraw/zinc/47/35/26/563473526.db2.gz NOZLHKFLIODZNV-UHFFFAOYSA-N 1 0 300.471 3.996 50 0 DHAARO Clc1ccccc1C1(C[NH2+]Cc2ccccn2)CCOCC1 ZINC000078602423 563477176 /nfs/dbraw/zinc/47/71/76/563477176.db2.gz CGNLNGOUGJNAMI-UHFFFAOYSA-N 1 0 316.832 3.573 50 0 DHAARO Fc1c(C[NH+]2CCCC2)cccc1Oc1ccc(Cl)nn1 ZINC000067654824 563488912 /nfs/dbraw/zinc/48/89/12/563488912.db2.gz WSBITTLJSNZDPJ-UHFFFAOYSA-N 1 0 307.756 3.657 50 0 DHAARO O[C@@H]1C[N@H+](Cc2cccc3cc[nH]c32)CC[C@H]1c1ccc(F)cc1 ZINC000067840267 563491656 /nfs/dbraw/zinc/49/16/56/563491656.db2.gz PMBHLDZMKDSSRF-RBUKOAKNSA-N 1 0 324.399 3.657 50 0 DHAARO CC(C)[NH2+]Cc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067789719 563491687 /nfs/dbraw/zinc/49/16/87/563491687.db2.gz NNCKWYBCACHTEF-UHFFFAOYSA-N 1 0 310.376 3.776 50 0 DHAARO COc1cc(C)c(-c2nc(C[NH+]3CCCC3)c(C)o2)cc1C ZINC000067868578 563492289 /nfs/dbraw/zinc/49/22/89/563492289.db2.gz QSRYROURAHPJKX-UHFFFAOYSA-N 1 0 300.402 3.871 50 0 DHAARO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1cn2ccccc2n1 ZINC000067884505 563492971 /nfs/dbraw/zinc/49/29/71/563492971.db2.gz UOCURWNOQYWBKS-HNNXBMFYSA-N 1 0 318.424 3.927 50 0 DHAARO CC[NH+](CC)Cc1cccc(C(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000067965682 563494132 /nfs/dbraw/zinc/49/41/32/563494132.db2.gz OSDCEQINTBYKDE-UHFFFAOYSA-N 1 0 322.412 3.657 50 0 DHAARO C[C@H](c1cccc(-c2nccn2Cc2cccnc2)c1)[NH+](C)C ZINC000067955598 563494248 /nfs/dbraw/zinc/49/42/48/563494248.db2.gz TZUIMIKXJZBELM-OAHLLOKOSA-N 1 0 306.413 3.616 50 0 DHAARO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC000071375570 563499145 /nfs/dbraw/zinc/49/91/45/563499145.db2.gz PJBMMEVGNHXLNB-INIZCTEOSA-N 1 0 316.489 3.591 50 0 DHAARO CSc1cccc(C[N@H+](C)[C@H]2CCOC3(CCOCC3)C2)c1 ZINC000077455412 563511273 /nfs/dbraw/zinc/51/12/73/563511273.db2.gz SIIBWWQREQBXIJ-INIZCTEOSA-N 1 0 321.486 3.569 50 0 DHAARO Cc1cc(C)n(CCC[NH2+]Cc2c(Cl)cccc2Cl)n1 ZINC000098078544 563523497 /nfs/dbraw/zinc/52/34/97/563523497.db2.gz PLCUCVUQOXRLHR-UHFFFAOYSA-N 1 0 312.244 3.987 50 0 DHAARO C[C@@H](Cc1cnccn1)N(C)Cc1nc(-c2ccccc2)cs1 ZINC000097402346 563539493 /nfs/dbraw/zinc/53/94/93/563539493.db2.gz QIHKIERZJWGXIB-AWEZNQCLSA-N 1 0 324.453 3.663 50 0 DHAARO OCC[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000097604097 563540573 /nfs/dbraw/zinc/54/05/73/563540573.db2.gz GRYGUFOCZCHHHR-LJQANCHMSA-N 1 0 311.425 3.612 50 0 DHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)on1 ZINC000097674284 563541127 /nfs/dbraw/zinc/54/11/27/563541127.db2.gz QJKLJQYWVGEGFQ-AWEZNQCLSA-N 1 0 314.414 3.772 50 0 DHAARO c1oc(-c2ccccc2)nc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000097785341 563542500 /nfs/dbraw/zinc/54/25/00/563542500.db2.gz LLBCYKLYHOQNDU-LJQANCHMSA-N 1 0 320.392 3.915 50 0 DHAARO c1coc([C@@H](CNc2ncnc3ccccc32)[NH+]2CCCCC2)c1 ZINC000014165418 563560634 /nfs/dbraw/zinc/56/06/34/563560634.db2.gz MGADAHVNGBYYMX-QGZVFWFLSA-N 1 0 322.412 3.862 50 0 DHAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)c1ccc(F)cc1F ZINC000247927963 563598299 /nfs/dbraw/zinc/59/82/99/563598299.db2.gz JBTLARYYYPTLPW-NXOUGTEYSA-N 1 0 322.399 3.501 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000247938434 563598805 /nfs/dbraw/zinc/59/88/05/563598805.db2.gz CSCSLHMXLNLJSP-RLFYNMQTSA-N 1 0 315.486 3.704 50 0 DHAARO Cc1cc(Cl)ccc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000136190078 563618720 /nfs/dbraw/zinc/61/87/20/563618720.db2.gz ABHYGDVQUKXNEO-UHFFFAOYSA-N 1 0 323.864 3.808 50 0 DHAARO Cc1cccc(C)c1NC(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000583651150 563651749 /nfs/dbraw/zinc/65/17/49/563651749.db2.gz IFZQQOUOKNKASK-DLBZAZTESA-N 1 0 317.477 3.888 50 0 DHAARO OC[C@H]1CC[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000101693208 563656937 /nfs/dbraw/zinc/65/69/37/563656937.db2.gz GMMCFLBYXLATLO-ZOBUZTSGSA-N 1 0 301.430 3.574 50 0 DHAARO Clc1ccc(OCCSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000014196666 563665759 /nfs/dbraw/zinc/66/57/59/563665759.db2.gz OVGUHKDYNWRFGA-ZIAGYGMSSA-N 1 0 310.850 3.722 50 0 DHAARO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000103305104 563666805 /nfs/dbraw/zinc/66/68/05/563666805.db2.gz BLJYNIAWZKUEJS-NWDGAFQWSA-N 1 0 314.351 3.764 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[N@H+]2CCCC[C@H]2C)c2ccc(C)cc12 ZINC000104042998 563672001 /nfs/dbraw/zinc/67/20/01/563672001.db2.gz VTDUMFHAAHMNGU-QAPCUYQASA-N 1 0 314.473 3.802 50 0 DHAARO Cc1ncsc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000107151394 563683077 /nfs/dbraw/zinc/68/30/77/563683077.db2.gz RLDBTHYNMMIFNI-YOEHRIQHSA-N 1 0 315.486 3.594 50 0 DHAARO CN(C(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC000048324388 563695915 /nfs/dbraw/zinc/69/59/15/563695915.db2.gz RZMABAZELVXQMN-FQEVSTJZSA-N 1 0 322.452 3.747 50 0 DHAARO CCCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048885360 563699817 /nfs/dbraw/zinc/69/98/17/563699817.db2.gz JZSZMMFGRKCTBS-HZPDHXFCSA-N 1 0 302.462 3.581 50 0 DHAARO COc1cccc([C@@H]2CCN2Cc2c(C)nc3ccccn32)c1 ZINC000215439381 563705271 /nfs/dbraw/zinc/70/52/71/563705271.db2.gz ZDSIWYWUEXNWBI-KRWDZBQOSA-N 1 0 307.397 3.598 50 0 DHAARO Cc1cc(C[N@@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)on1 ZINC000215529059 563706211 /nfs/dbraw/zinc/70/62/11/563706211.db2.gz OAQNOZUOTLJFCS-AWEZNQCLSA-N 1 0 310.401 3.547 50 0 DHAARO CCn1ccc2cc(CN3CC[C@H]([NH+]4CCCCC4)C3)ccc21 ZINC000215855532 563707352 /nfs/dbraw/zinc/70/73/52/563707352.db2.gz BDDJRXQZDZGRGQ-IBGZPJMESA-N 1 0 311.473 3.721 50 0 DHAARO CCc1ccc(C[N@H+](C)Cc2cccc(Cn3cccn3)c2)nc1 ZINC000216250909 563707946 /nfs/dbraw/zinc/70/79/46/563707946.db2.gz LGNWLXXJQWRSKS-UHFFFAOYSA-N 1 0 320.440 3.521 50 0 DHAARO Cc1c2cc(C)ccc2oc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000216146832 563708353 /nfs/dbraw/zinc/70/83/53/563708353.db2.gz NSXVJKFYEFIKHC-CQSZACIVSA-N 1 0 310.401 3.547 50 0 DHAARO Cc1ccc(C)c(-c2n[nH]cc2C[NH+]2CCC(F)(F)CC2)c1 ZINC000216533981 563710271 /nfs/dbraw/zinc/71/02/71/563710271.db2.gz LVLLMCWNCMXGLK-UHFFFAOYSA-N 1 0 305.372 3.925 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c2ccccc12 ZINC000000811134 563719202 /nfs/dbraw/zinc/71/92/02/563719202.db2.gz RJMNRFYYYWPFQK-APWZRJJASA-N 1 0 322.452 3.970 50 0 DHAARO Cc1csc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000221868077 563723800 /nfs/dbraw/zinc/72/38/00/563723800.db2.gz PDCDDWPMQCJPNE-LSDHHAIUSA-N 1 0 320.458 3.913 50 0 DHAARO COC(=O)C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000027344410 563739419 /nfs/dbraw/zinc/73/94/19/563739419.db2.gz KUHNFMHMFQUJIZ-UHFFFAOYSA-N 1 0 323.845 3.940 50 0 DHAARO Cc1c[nH+]ccc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000225360306 563752704 /nfs/dbraw/zinc/75/27/04/563752704.db2.gz QYGPUZUDGLUWFG-GJZGRUSLSA-N 1 0 319.449 3.520 50 0 DHAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000097528002 563775202 /nfs/dbraw/zinc/77/52/02/563775202.db2.gz QMLUMZVJISHTKV-HOTGVXAUSA-N 1 0 313.363 3.832 50 0 DHAARO C[C@@H](SCC[NH+](C)C)c1nnc(-c2cccc(F)c2)s1 ZINC000241644280 563777220 /nfs/dbraw/zinc/77/72/20/563777220.db2.gz PPRFYQMFMPYVFU-SNVBAGLBSA-N 1 0 311.451 3.700 50 0 DHAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000248199721 563782774 /nfs/dbraw/zinc/78/27/74/563782774.db2.gz UOURFKGBHOLYSC-INIZCTEOSA-N 1 0 320.440 3.593 50 0 DHAARO CC[NH+](CC)CCOC(=O)[C@H](c1cccs1)[C@@H]1C=CCC1 ZINC000002039596 563798563 /nfs/dbraw/zinc/79/85/63/563798563.db2.gz PAQHBGYZMGCRMG-ZBFHGGJFSA-N 1 0 307.459 3.683 50 0 DHAARO Cc1ccccc1[C@@](O)(Cc1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000001259764 563809717 /nfs/dbraw/zinc/80/97/17/563809717.db2.gz FPDWKSDUHWWBCL-YADHBBJMSA-N 1 0 321.464 3.767 50 0 DHAARO FC(F)c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000184990209 563832250 /nfs/dbraw/zinc/83/22/50/563832250.db2.gz WSUZGAJWZBYVHD-UHFFFAOYSA-N 1 0 323.412 3.839 50 0 DHAARO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085324799 563834979 /nfs/dbraw/zinc/83/49/79/563834979.db2.gz HXWZHCWGBBQQFJ-RCDICMHDSA-N 1 0 319.445 3.674 50 0 DHAARO COc1ccc2c(C[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)cc(=O)oc2c1 ZINC000012818682 563837339 /nfs/dbraw/zinc/83/73/39/563837339.db2.gz CTFXTOYBBHKMCQ-IIYDPXPESA-N 1 0 315.413 3.716 50 0 DHAARO CCc1cc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000020167286 563843023 /nfs/dbraw/zinc/84/30/23/563843023.db2.gz YGPXOYRAXDAZHM-ZIAGYGMSSA-N 1 0 311.853 3.781 50 0 DHAARO CC[C@H]([NH2+]Cc1cc[nH]c1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000086254341 563844804 /nfs/dbraw/zinc/84/48/04/563844804.db2.gz KWSDZVXVSHIWKR-LSDHHAIUSA-N 1 0 312.335 3.635 50 0 DHAARO CC(C)c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000012908767 563853350 /nfs/dbraw/zinc/85/33/50/563853350.db2.gz YYCMRVATHPLUMQ-UHFFFAOYSA-N 1 0 302.462 3.849 50 0 DHAARO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)NCc1cccs1 ZINC000012900269 563853397 /nfs/dbraw/zinc/85/33/97/563853397.db2.gz BGRGOKOVTSEWIK-RYUDHWBXSA-N 1 0 322.861 3.757 50 0 DHAARO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)o1 ZINC000075107974 563859754 /nfs/dbraw/zinc/85/97/54/563859754.db2.gz DFFOHYOVJIJKSU-HUUCEWRRSA-N 1 0 308.422 3.514 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000053720502 563866309 /nfs/dbraw/zinc/86/63/09/563866309.db2.gz FNKBFXZVBDRAJY-OAHLLOKOSA-N 1 0 309.413 3.708 50 0 DHAARO CO[C@H](C[NH2+][C@@H](C)c1cnc(C)nc1C)c1ccccc1Cl ZINC000090453404 563870537 /nfs/dbraw/zinc/87/05/37/563870537.db2.gz JRVXACUDALASGE-APPDUMDISA-N 1 0 319.836 3.785 50 0 DHAARO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720436 563871122 /nfs/dbraw/zinc/87/11/22/563871122.db2.gz DFRMMUMHXXUGPK-SQGPQFPESA-N 1 0 322.452 3.742 50 0 DHAARO COc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000090890055 563876557 /nfs/dbraw/zinc/87/65/57/563876557.db2.gz CHEFIUIZGVKAAA-CKNFYHOISA-N 1 0 303.446 3.676 50 0 DHAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1 ZINC000090845076 563876712 /nfs/dbraw/zinc/87/67/12/563876712.db2.gz QMCFYAZVLOMJEV-KSMMKXTCSA-N 1 0 324.424 3.860 50 0 DHAARO Cc1ccc(-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1 ZINC000001775400 563878267 /nfs/dbraw/zinc/87/82/67/563878267.db2.gz IQTMTVMZPBOYLY-UHFFFAOYSA-N 1 0 320.440 3.969 50 0 DHAARO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1nccs1 ZINC000245630291 563882300 /nfs/dbraw/zinc/88/23/00/563882300.db2.gz ZPSIKNYSGPBYPP-CQDKDKBSSA-N 1 0 321.877 3.893 50 0 DHAARO C[C@@H](C[NH2+][C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000075572739 563884698 /nfs/dbraw/zinc/88/46/98/563884698.db2.gz RAISYGIMJPZXCH-RXVVDRJESA-N 1 0 308.469 3.697 50 0 DHAARO c1ccc(CN2CCC([NH2+]CC3(c4ccccc4)CC3)CC2)cc1 ZINC000075572418 563884710 /nfs/dbraw/zinc/88/47/10/563884710.db2.gz IMEUNEYLQAFDHO-UHFFFAOYSA-N 1 0 320.480 3.972 50 0 DHAARO C[C@H](C[NH2+][C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000075572738 563884850 /nfs/dbraw/zinc/88/48/50/563884850.db2.gz RAISYGIMJPZXCH-WIYYLYMNSA-N 1 0 308.469 3.697 50 0 DHAARO C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCc2ccccc2C1 ZINC000035945779 563890472 /nfs/dbraw/zinc/89/04/72/563890472.db2.gz FVDPMBKMZSQEEX-CQSZACIVSA-N 1 0 304.393 3.797 50 0 DHAARO CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1cc(OC)cc(OC)c1 ZINC000036095139 563892725 /nfs/dbraw/zinc/89/27/25/563892725.db2.gz VKDZDYGOTZHGSJ-QGZVFWFLSA-N 1 0 323.477 3.713 50 0 DHAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@H](O)Cc1ccccc1 ZINC000036099211 563893448 /nfs/dbraw/zinc/89/34/48/563893448.db2.gz CFPMQMHGTVRPME-GOSISDBHSA-N 1 0 303.471 3.810 50 0 DHAARO CCC[N@@H+](Cc1ccco1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096517 563893960 /nfs/dbraw/zinc/89/39/60/563893960.db2.gz BTTQTPLLTKJMIP-HNNXBMFYSA-N 1 0 323.820 3.585 50 0 DHAARO Cc1ccccc1NC(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000006877156 563898027 /nfs/dbraw/zinc/89/80/27/563898027.db2.gz WCHJPKNHLDTFSY-UHFFFAOYSA-N 1 0 315.461 3.725 50 0 DHAARO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1cccc2ccccc21 ZINC000036422070 563899220 /nfs/dbraw/zinc/89/92/20/563899220.db2.gz JPHNFGDUMGHUFQ-JKSUJKDBSA-N 1 0 310.441 3.891 50 0 DHAARO O[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)c1ccc(Cl)s1 ZINC000192914179 563901244 /nfs/dbraw/zinc/90/12/44/563901244.db2.gz ZHCBFOCLKKRBRN-KBPBESRZSA-N 1 0 322.861 3.972 50 0 DHAARO c1noc(-c2ccccc2)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000065288897 563902634 /nfs/dbraw/zinc/90/26/34/563902634.db2.gz MJQWYOHMAVTLIT-UHFFFAOYSA-N 1 0 319.408 3.664 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1F ZINC000170084551 563903639 /nfs/dbraw/zinc/90/36/39/563903639.db2.gz LWMHWEMSCWUKSY-CUOATXAZSA-N 1 0 316.214 3.542 50 0 DHAARO CC[N@H+](CCCc1nc(C)no1)C12CC3CC(CC(C3)C1)C2 ZINC000170607205 563907838 /nfs/dbraw/zinc/90/78/38/563907838.db2.gz TVFCPTODXYJTPR-UHFFFAOYSA-N 1 0 303.450 3.601 50 0 DHAARO c1coc(-c2nnc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)o2)c1 ZINC000170612367 563908072 /nfs/dbraw/zinc/90/80/72/563908072.db2.gz IEEZYUITRLTGHI-HOTGVXAUSA-N 1 0 323.396 3.831 50 0 DHAARO Cc1ccc(CCC[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cn1 ZINC000170616092 563908450 /nfs/dbraw/zinc/90/84/50/563908450.db2.gz ODJXLIZSHRGBTI-NRFANRHFSA-N 1 0 324.468 3.656 50 0 DHAARO CC[N@H+](C)[C@@H]1CCN([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000170616797 563908486 /nfs/dbraw/zinc/90/84/86/563908486.db2.gz JIIAKJLVXRYYLZ-GXTWGEPZSA-N 1 0 316.367 3.672 50 0 DHAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccccc2Cl)C1 ZINC000250211466 563909874 /nfs/dbraw/zinc/90/98/74/563909874.db2.gz ZCYDXOCZAXWALB-IOASZLSFSA-N 1 0 306.837 3.521 50 0 DHAARO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cccs1 ZINC000089597120 563910734 /nfs/dbraw/zinc/91/07/34/563910734.db2.gz IVCOSDLHXCLTQQ-AWEZNQCLSA-N 1 0 314.454 3.721 50 0 DHAARO Cc1ccc2c(C[N@@H+](C)[C@H](C)c3ccccn3)cc(=O)oc2c1C ZINC000089665826 563910940 /nfs/dbraw/zinc/91/09/40/563910940.db2.gz WRJWLPFMUGAXHQ-OAHLLOKOSA-N 1 0 322.408 3.998 50 0 DHAARO CC(C)C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccccn1 ZINC000089821044 563911568 /nfs/dbraw/zinc/91/15/68/563911568.db2.gz FLQIYKYCGCIGPD-SFHVURJKSA-N 1 0 308.429 3.649 50 0 DHAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089857752 563911735 /nfs/dbraw/zinc/91/17/35/563911735.db2.gz OTWPDRCIRATEGQ-NUJGCVRESA-N 1 0 312.457 3.649 50 0 DHAARO CC[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000076092540 563912358 /nfs/dbraw/zinc/91/23/58/563912358.db2.gz BGTDRYAJDUGXOL-KRWDZBQOSA-N 1 0 316.832 3.811 50 0 DHAARO CCO[C@H]1C[C@H](N(C)Cc2csc(CC)n2)C12CCCC2 ZINC000170637259 563913729 /nfs/dbraw/zinc/91/37/29/563913729.db2.gz BSCLIKUOKSLGAP-GJZGRUSLSA-N 1 0 308.491 3.875 50 0 DHAARO C[C@@H](c1cccc(Br)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000242242345 563914078 /nfs/dbraw/zinc/91/40/78/563914078.db2.gz XUBABOMOGAUIIY-BBRMVZONSA-N 1 0 323.278 3.680 50 0 DHAARO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000252444261 563914910 /nfs/dbraw/zinc/91/49/10/563914910.db2.gz FHNLQMOTWOJGGY-HIFRSBDPSA-N 1 0 300.427 3.912 50 0 DHAARO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000252509274 563916565 /nfs/dbraw/zinc/91/65/65/563916565.db2.gz YJCQQPVKHOPQMQ-UHFFFAOYSA-N 1 0 314.404 3.849 50 0 DHAARO Cc1nccn1Cc1ccc(NC2CC[NH+](C(C)C)CC2)cc1 ZINC000195557895 563919717 /nfs/dbraw/zinc/91/97/17/563919717.db2.gz YSGPOFLNWGISFJ-UHFFFAOYSA-N 1 0 312.461 3.525 50 0 DHAARO C[C@H]1C[C@H](C)CN(CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000007811676 563920010 /nfs/dbraw/zinc/92/00/10/563920010.db2.gz QYFXWAOZEOHFSL-QWRGUYRKSA-N 1 0 315.244 3.910 50 0 DHAARO C[C@@H](c1cccnc1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000253425647 563925156 /nfs/dbraw/zinc/92/51/56/563925156.db2.gz BDBWOJFVZQKCPM-INIZCTEOSA-N 1 0 318.424 3.513 50 0 DHAARO CC[C@H]([NH2+]C1CCN(c2ccccc2F)CC1)c1nc(C)c[nH]1 ZINC000584889360 563925444 /nfs/dbraw/zinc/92/54/44/563925444.db2.gz JKLDNYWGACNIIU-INIZCTEOSA-N 1 0 316.424 3.567 50 0 DHAARO C[NH+](C)[C@H]1CCC[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000002353819 563927259 /nfs/dbraw/zinc/92/72/59/563927259.db2.gz KWBLUDBBNZTNOA-OALUTQOASA-N 1 0 323.436 3.844 50 0 DHAARO C[C@@H]([NH2+]C[C@H]1CCCn2cc(C(C)(C)C)nc21)c1ccncc1 ZINC000095402215 563931259 /nfs/dbraw/zinc/93/12/59/563931259.db2.gz WZIQWIQQMPDDON-GDBMZVCRSA-N 1 0 312.461 3.804 50 0 DHAARO Cc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccn3)c2C)s1 ZINC000095420458 563931405 /nfs/dbraw/zinc/93/14/05/563931405.db2.gz BUMMUXAGCREJGP-ZDUSSCGKSA-N 1 0 312.442 3.796 50 0 DHAARO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000095940569 563931969 /nfs/dbraw/zinc/93/19/69/563931969.db2.gz GTIJEWBDIFSRSJ-CYBMUJFWSA-N 1 0 303.418 3.888 50 0 DHAARO CC[C@@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)C(C)C ZINC000095967920 563933228 /nfs/dbraw/zinc/93/32/28/563933228.db2.gz IJUKCVZXSYRRCW-QGZVFWFLSA-N 1 0 307.482 3.528 50 0 DHAARO Cc1ncsc1CNc1cccc(OCC[NH+]2CCCC2)c1 ZINC000095971944 563933373 /nfs/dbraw/zinc/93/33/73/563933373.db2.gz QKCVZVMOOWLUTH-UHFFFAOYSA-N 1 0 317.458 3.538 50 0 DHAARO CCC1(CO)CC[NH+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000095978946 563933577 /nfs/dbraw/zinc/93/35/77/563933577.db2.gz PWOGWUNVHJTDAO-UHFFFAOYSA-N 1 0 317.473 3.799 50 0 DHAARO CCS[C@H]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000095983581 563933984 /nfs/dbraw/zinc/93/39/84/563933984.db2.gz YFYKQIQQWSWSKV-JYJNAYRXSA-N 1 0 313.894 3.979 50 0 DHAARO COc1ccc(O)cc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000096006905 563934852 /nfs/dbraw/zinc/93/48/52/563934852.db2.gz RMWLNTJSFFBVFH-DIFFPNOSSA-N 1 0 301.361 3.878 50 0 DHAARO CCOc1ccccc1OCC[NH2+]CCCOc1ccccc1 ZINC000096026887 563935065 /nfs/dbraw/zinc/93/50/65/563935065.db2.gz IUKQQVPJOIQUAO-UHFFFAOYSA-N 1 0 315.413 3.523 50 0 DHAARO C[C@H](OCCC[NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000096476438 563937119 /nfs/dbraw/zinc/93/71/19/563937119.db2.gz QHTXLTLCMSNBFM-MAUKXSAKSA-N 1 0 313.445 3.555 50 0 DHAARO C[C@@H](NCc1nc2ccccc2o1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491045 563937500 /nfs/dbraw/zinc/93/75/00/563937500.db2.gz VSFMMTCENBNVBB-GFCCVEGCSA-N 1 0 321.380 3.563 50 0 DHAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000096583234 563937601 /nfs/dbraw/zinc/93/76/01/563937601.db2.gz JMTXRVKJNYOUHO-UHFFFAOYSA-N 1 0 312.413 3.789 50 0 DHAARO CSc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000097037152 563937660 /nfs/dbraw/zinc/93/76/60/563937660.db2.gz FMRNZBCYSIZSBU-UHFFFAOYSA-N 1 0 313.470 3.880 50 0 DHAARO Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000097159738 563937865 /nfs/dbraw/zinc/93/78/65/563937865.db2.gz JGHYNKOZUADUHI-LJQANCHMSA-N 1 0 318.424 3.649 50 0 DHAARO Cc1ccc(-n2c(SCC[NH3+])nnc2-c2cccc(C)c2)cc1 ZINC000002639014 563939952 /nfs/dbraw/zinc/93/99/52/563939952.db2.gz JBUHPRCWTSZLDH-UHFFFAOYSA-N 1 0 324.453 3.602 50 0 DHAARO Clc1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000057829488 563942735 /nfs/dbraw/zinc/94/27/35/563942735.db2.gz VHWSRPDMRIITKD-UHFFFAOYSA-N 1 0 316.832 3.541 50 0 DHAARO O=C(NCc1cc2ccccc2o1)c1ccc(C[NH+]2CCCC2)o1 ZINC000670437953 563943446 /nfs/dbraw/zinc/94/34/46/563943446.db2.gz GGDNQUCBHZCWKG-UHFFFAOYSA-N 1 0 324.380 3.552 50 0 DHAARO Cc1scc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1C ZINC000057992724 563943473 /nfs/dbraw/zinc/94/34/73/563943473.db2.gz PAQFEHWKTBIHQI-UHFFFAOYSA-N 1 0 304.434 3.826 50 0 DHAARO Cc1nccn1C[C@@H]1CCC[N@H+](CCc2c[nH]c3ccccc23)C1 ZINC000670441740 563943866 /nfs/dbraw/zinc/94/38/66/563943866.db2.gz USTFTSGLZTWKRD-QGZVFWFLSA-N 1 0 322.456 3.628 50 0 DHAARO CC1=C(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)C(C)(C)CCC1 ZINC000670440563 563943978 /nfs/dbraw/zinc/94/39/78/563943978.db2.gz UIUFPOLXGNKJIA-OAHLLOKOSA-N 1 0 315.461 3.888 50 0 DHAARO CC(=O)c1cccc(OCCN2CCCC[C@@H]2c2cccnc2)c1 ZINC000008741369 563950418 /nfs/dbraw/zinc/95/04/18/563950418.db2.gz MXMZVZNVJILHAB-HXUWFJFHSA-N 1 0 324.424 3.890 50 0 biogenic DHAARO CC(C)(C)c1ncc2c(n1)CN(c1cc(C(F)(F)F)ccn1)C2 ZINC000067947031 563950841 /nfs/dbraw/zinc/95/08/41/563950841.db2.gz UIOUKHUZSSMFMY-UHFFFAOYSA-N 1 0 322.334 3.708 50 0 DHAARO CCc1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000069417864 563952898 /nfs/dbraw/zinc/95/28/98/563952898.db2.gz ROVIZUNMWDHGJW-BEFAXECRSA-N 1 0 317.477 3.881 50 0 DHAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCCc2nc3ccccc3o2)c1 ZINC000069655251 563953925 /nfs/dbraw/zinc/95/39/25/563953925.db2.gz VAOQJDSUQCONNZ-GJZGRUSLSA-N 1 0 312.417 3.505 50 0 DHAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CCCc2nc3ccccc3o2)c1 ZINC000069655249 563953933 /nfs/dbraw/zinc/95/39/33/563953933.db2.gz VAOQJDSUQCONNZ-HUUCEWRRSA-N 1 0 312.417 3.505 50 0 DHAARO CCCC[C@@H](CC)CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000069704330 563954335 /nfs/dbraw/zinc/95/43/35/563954335.db2.gz RSFNVIBYGARWDG-OAHLLOKOSA-N 1 0 305.466 3.568 50 0 DHAARO c1cc2c(ncnc2NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000009609035 563957152 /nfs/dbraw/zinc/95/71/52/563957152.db2.gz LHSDIKAGPLOEFV-UHFFFAOYSA-N 1 0 324.453 3.899 50 0 DHAARO Cc1ccc(C)c(OCCSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000009691500 563957289 /nfs/dbraw/zinc/95/72/89/563957289.db2.gz MGQBPZIHPKNTFB-GASCZTMLSA-N 1 0 304.459 3.686 50 0 DHAARO Clc1ccccc1OCCSC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000009691496 563957299 /nfs/dbraw/zinc/95/72/99/563957299.db2.gz LKQMLYXTQLNVRS-BETUJISGSA-N 1 0 310.850 3.722 50 0 DHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cccc(O)c1 ZINC000071008049 563957686 /nfs/dbraw/zinc/95/76/86/563957686.db2.gz OBINDDDTHGQDHW-UHFFFAOYSA-N 1 0 321.424 3.544 50 0 DHAARO C[NH+](C)CC(C)(C)CNC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000071796248 563958462 /nfs/dbraw/zinc/95/84/62/563958462.db2.gz WACSJXXXSLKALJ-UHFFFAOYSA-N 1 0 323.440 3.639 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000010328208 563958540 /nfs/dbraw/zinc/95/85/40/563958540.db2.gz VBJZIFQVVPNNAX-HXUWFJFHSA-N 1 0 318.420 3.873 50 0 DHAARO COc1ccccc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000071831365 563958948 /nfs/dbraw/zinc/95/89/48/563958948.db2.gz DCMSLASSYNIYTB-HNNXBMFYSA-N 1 0 324.424 3.673 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1cccs1 ZINC000071870453 563959449 /nfs/dbraw/zinc/95/94/49/563959449.db2.gz YEGIBBZXAWFRQE-SJORKVTESA-N 1 0 320.502 3.546 50 0 DHAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)c1 ZINC000071875820 563959497 /nfs/dbraw/zinc/95/94/97/563959497.db2.gz ZXLKDPGTJCLSOI-SFHVURJKSA-N 1 0 322.412 3.511 50 0 DHAARO CC(C)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000025702188 568412795 /nfs/dbraw/zinc/41/27/95/568412795.db2.gz ORXJTLLHQRHJGB-MRXNPFEDSA-N 1 0 316.470 3.904 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1)c1cnccn1 ZINC000252486279 568413673 /nfs/dbraw/zinc/41/36/73/568413673.db2.gz HPDNWOPSOCAKNI-KVSKMBFKSA-N 1 0 311.429 3.655 50 0 DHAARO Cc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)no1 ZINC000051425890 568415910 /nfs/dbraw/zinc/41/59/10/568415910.db2.gz DQFQTHGKCJDFBR-LBPRGKRZSA-N 1 0 321.808 3.658 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC000012980088 568418632 /nfs/dbraw/zinc/41/86/32/568418632.db2.gz SWCHDLXRJBQKBP-UHFFFAOYSA-N 1 0 314.404 3.598 50 0 DHAARO COc1cccc([C@H](O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000000406097 568421650 /nfs/dbraw/zinc/42/16/50/568421650.db2.gz OWPDNPXNAVGVSB-HXUWFJFHSA-N 1 0 311.425 3.641 50 0 DHAARO Cc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H](C)n3cccn3)cs2)o1 ZINC000069921818 1013378276 /nfs/dbraw/zinc/37/82/76/1013378276.db2.gz OGXNPVGQKCTXQJ-CHWSQXEVSA-N 1 0 316.430 3.647 50 0 DHAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C[NH2+]C1CCN(C)CC1 ZINC000022077841 1013706947 /nfs/dbraw/zinc/70/69/47/1013706947.db2.gz XTSWVUOIBDKVOJ-OAHLLOKOSA-N 1 0 311.473 3.580 50 0 DHAARO CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000299757860 1014747766 /nfs/dbraw/zinc/74/77/66/1014747766.db2.gz KRJSBFSHVAZQIK-UHFFFAOYSA-N 1 0 303.789 3.927 50 0 DHAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000952870044 1032666922 /nfs/dbraw/zinc/66/69/22/1032666922.db2.gz QQDVRWFPTSIPGO-KRWDZBQOSA-N 1 0 314.429 3.722 50 0 DHAARO CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000952977829 1032678532 /nfs/dbraw/zinc/67/85/32/1032678532.db2.gz WASJZFXVWVQUSK-FQEVSTJZSA-N 1 0 322.452 3.796 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Cl)c1cccc(F)c1 ZINC000012945125 1017837131 /nfs/dbraw/zinc/83/71/31/1017837131.db2.gz QCYOAANQKDRXAH-MRXNPFEDSA-N 1 0 320.795 3.512 50 0 DHAARO O[C@]1(C#Cc2ccccc2)CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000206481739 1018306312 /nfs/dbraw/zinc/30/63/12/1018306312.db2.gz RPLFNJRZTWWRMD-RTWAWAEBSA-N 1 0 305.421 3.502 50 0 DHAARO CCN1CC[C@@H]([N@H+](C)CC23CC4CC(CC(C4)C2)C3)CCC1=O ZINC000012150524 1019919162 /nfs/dbraw/zinc/91/91/62/1019919162.db2.gz BWWXKWWXFUGHSF-AZRLCKCBSA-N 1 0 318.505 3.536 50 0 DHAARO CC(C)c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000186217866 1020017248 /nfs/dbraw/zinc/01/72/48/1020017248.db2.gz IMRJWXQCKPPGIN-HNNXBMFYSA-N 1 0 320.502 3.962 50 0 DHAARO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc2ccncc2s1 ZINC000657975676 1020056856 /nfs/dbraw/zinc/05/68/56/1020056856.db2.gz CZQYBXZHRWQWNL-GXFFZTMASA-N 1 0 304.440 3.742 50 0 DHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2)cc1 ZINC000823778621 1020445418 /nfs/dbraw/zinc/44/54/18/1020445418.db2.gz FWDYUMFQJYLCCK-HXUWFJFHSA-N 1 0 322.452 3.844 50 0 DHAARO COCC[N@H+](Cc1ccc(C)s1)Cc1ccc(OC)c(F)c1 ZINC000824405502 1020565562 /nfs/dbraw/zinc/56/55/62/1020565562.db2.gz RZBQQLFGACSNCS-UHFFFAOYSA-N 1 0 323.433 3.853 50 0 DHAARO O=C(N1CC[C@H]1c1ccc(F)cc1)C1([NH+]2CCCC2)CCCC1 ZINC000826584993 1020714852 /nfs/dbraw/zinc/71/48/52/1020714852.db2.gz LKEBZVFCYNMLIX-KRWDZBQOSA-N 1 0 316.420 3.508 50 0 DHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCc2ccccc21 ZINC000827762971 1020794074 /nfs/dbraw/zinc/79/40/74/1020794074.db2.gz AMYLWGWRMWGCEL-FQEVSTJZSA-N 1 0 320.436 3.951 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)c2ccsc2)CC1 ZINC000575549669 1020976282 /nfs/dbraw/zinc/97/62/82/1020976282.db2.gz LNJOIUQEOTWXQF-UHFFFAOYSA-N 1 0 315.442 3.608 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)Nc1ccc(C)c(C)c1 ZINC000575558098 1020978453 /nfs/dbraw/zinc/97/84/53/1020978453.db2.gz QSJVRNXROYKCFP-UHFFFAOYSA-N 1 0 312.417 3.507 50 0 DHAARO Cc1cccc(C[NH+]2CCC(Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000581805889 1021846517 /nfs/dbraw/zinc/84/65/17/1021846517.db2.gz ZEYIDLWFLOETKR-UHFFFAOYSA-N 1 0 322.452 3.549 50 0 DHAARO CCCn1c(C)cnc1[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000581816493 1021853701 /nfs/dbraw/zinc/85/37/01/1021853701.db2.gz XMGIHBANNRJORI-HNNXBMFYSA-N 1 0 319.399 3.869 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1CCC1CCN(C(=O)CC(C)C)CC1 ZINC000581814167 1021857036 /nfs/dbraw/zinc/85/70/36/1021857036.db2.gz YGMIGGKEIFIOAI-UHFFFAOYSA-N 1 0 317.477 3.744 50 0 DHAARO CCCC(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257191996 1022254726 /nfs/dbraw/zinc/25/47/26/1022254726.db2.gz SDXJUKHJGJDULC-LJQANCHMSA-N 1 0 314.473 3.861 50 0 DHAARO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)C1CCCCC1 ZINC000183742791 1022340639 /nfs/dbraw/zinc/34/06/39/1022340639.db2.gz MXQLOYSKRRBYRC-AWEZNQCLSA-N 1 0 302.418 3.702 50 0 DHAARO Cc1nc(CCC2CC[NH+](Cc3ccccc3Cl)CC2)no1 ZINC000675018954 1022750180 /nfs/dbraw/zinc/75/01/80/1022750180.db2.gz HEYNGVZSHKEFEJ-UHFFFAOYSA-N 1 0 319.836 3.876 50 0 DHAARO Cc1ccccc1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000014879796 1023269856 /nfs/dbraw/zinc/26/98/56/1023269856.db2.gz OJAKOFWRBNSKAI-HXUWFJFHSA-N 1 0 322.452 3.666 50 0 DHAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000200486593 1023710019 /nfs/dbraw/zinc/71/00/19/1023710019.db2.gz DNYXQZYYADJHKS-CYBMUJFWSA-N 1 0 317.383 3.944 50 0 DHAARO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1ccc(N2CCNC2=O)cc1 ZINC000786924864 1024258174 /nfs/dbraw/zinc/25/81/74/1024258174.db2.gz AWJDSKGODOJBCP-RHSMWYFYSA-N 1 0 313.445 3.590 50 0 DHAARO CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000215988756 1024528657 /nfs/dbraw/zinc/52/86/57/1024528657.db2.gz KUPXBTFAPOLVDV-INIZCTEOSA-N 1 0 300.377 3.609 50 0 DHAARO COc1ccc([C@H]2C[C@H]([NH2+]Cc3cnc(C4CC4)o3)C2)cc1F ZINC000888100608 1024705761 /nfs/dbraw/zinc/70/57/61/1024705761.db2.gz SFZSYSVMWPNOQB-HDJSIYSDSA-N 1 0 316.376 3.736 50 0 DHAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc(F)c(F)c1F ZINC000214979986 1025053620 /nfs/dbraw/zinc/05/36/20/1025053620.db2.gz REMWEGHMOSBCCM-UHFFFAOYSA-N 1 0 300.349 3.543 50 0 DHAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccccn2)CC1 ZINC000054991792 1025530586 /nfs/dbraw/zinc/53/05/86/1025530586.db2.gz NFFAHSMPXYOZBR-UHFFFAOYSA-N 1 0 309.457 3.568 50 0 DHAARO CSCC1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000243914677 1025643160 /nfs/dbraw/zinc/64/31/60/1025643160.db2.gz BJHWALTVKNEXQH-UHFFFAOYSA-N 1 0 315.486 3.506 50 0 DHAARO COc1cccc([C@@H](O)C[N@@H+]2Cc3ccccc3C3(CCC3)C2)c1 ZINC000585081735 1029622898 /nfs/dbraw/zinc/62/28/98/1029622898.db2.gz RBOLDWLQLZEQSW-FQEVSTJZSA-N 1 0 323.436 3.666 50 0 DHAARO [NH3+][C@@H]1CCO[C@H]1c1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000585090621 1029734534 /nfs/dbraw/zinc/73/45/34/1029734534.db2.gz AWQIJQBCZXFUKA-CABCVRRESA-N 1 0 309.196 3.844 50 0 DHAARO CC1=C(C)C[C@@H]([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000630061011 1031606738 /nfs/dbraw/zinc/60/67/38/1031606738.db2.gz VTUFEUYOEULELE-LSTDLKDCSA-N 1 0 317.477 3.612 50 0 DHAARO CCOCc1cc(C[N@H+](C)[C@@H](C)c2ccncc2)ccc1OC ZINC000183705716 1034414842 /nfs/dbraw/zinc/41/48/42/1034414842.db2.gz ORZPJJXEOLMPEC-HNNXBMFYSA-N 1 0 314.429 3.820 50 0 DHAARO CC(C)c1noc(CC[NH2+][C@H](C)c2ccc(F)cc2Cl)n1 ZINC000089577987 1037160201 /nfs/dbraw/zinc/16/02/01/1037160201.db2.gz YZYRNKDUFYNZQX-SNVBAGLBSA-N 1 0 311.788 3.879 50 0 DHAARO CCOc1ccc([C@H]2CCC[N@@H+]2CCCc2nc(C)no2)cc1 ZINC000078970884 185137491 /nfs/dbraw/zinc/13/74/91/185137491.db2.gz ZNSLKXJNDDOBIY-QGZVFWFLSA-N 1 0 315.417 3.546 50 0 DHAARO Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)c(C[NH+](C)C)c1 ZINC000079305598 185164060 /nfs/dbraw/zinc/16/40/60/185164060.db2.gz GKCHNNLMWWBJEW-UHFFFAOYSA-N 1 0 307.397 3.790 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000225436798 201708088 /nfs/dbraw/zinc/70/80/88/201708088.db2.gz JOTVAHQQQMFYDR-SOLBZPMBSA-N 1 0 308.510 3.685 50 0 DHAARO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2F)cc1 ZINC000089977509 185273269 /nfs/dbraw/zinc/27/32/69/185273269.db2.gz QXNXDXFAKOJSDA-GFCCVEGCSA-N 1 0 318.367 3.565 50 0 DHAARO CC(C)C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccccn1 ZINC000090542097 185301886 /nfs/dbraw/zinc/30/18/86/185301886.db2.gz HRWWUTPLMCKERL-BPQIPLTHSA-N 1 0 320.502 3.813 50 0 DHAARO Fc1cccc(CN[C@H](C[NH+]2CCCC2)c2ccccc2)c1F ZINC000095393943 185352113 /nfs/dbraw/zinc/35/21/13/185352113.db2.gz YKDOEWJJJWBHKR-GOSISDBHSA-N 1 0 316.395 3.892 50 0 DHAARO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@H](C)c1ccccc1 ZINC000095406060 185355910 /nfs/dbraw/zinc/35/59/10/185355910.db2.gz BMORSXNJUVYLDN-LSDHHAIUSA-N 1 0 306.409 3.810 50 0 DHAARO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1cccnc1)c1ccco1 ZINC000095413240 185358117 /nfs/dbraw/zinc/35/81/17/185358117.db2.gz XCEGMYDVNHNARH-IRXDYDNUSA-N 1 0 300.402 3.543 50 0 DHAARO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2F)CN1Cc1ccccc1 ZINC000095419363 185359790 /nfs/dbraw/zinc/35/97/90/185359790.db2.gz JAPHTMCASRQQGO-APWZRJJASA-N 1 0 312.432 3.621 50 0 DHAARO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(-n3cncn3)cc1)CC2 ZINC000095419441 185359882 /nfs/dbraw/zinc/35/98/82/185359882.db2.gz FTSVKBAMOFXCJD-MGPUTAFESA-N 1 0 318.424 3.914 50 0 DHAARO C[NH2+]Cc1cccc(NC(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000095427851 185362002 /nfs/dbraw/zinc/36/20/02/185362002.db2.gz VSPLIBPJLAFCNM-UHFFFAOYSA-N 1 0 322.330 3.606 50 0 DHAARO CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)cc1 ZINC000095421125 185360503 /nfs/dbraw/zinc/36/05/03/185360503.db2.gz GGMHKWVBXRNJLY-OAHLLOKOSA-N 1 0 322.412 3.517 50 0 DHAARO C[C@H](C1CC1)n1nccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000097009608 185396732 /nfs/dbraw/zinc/39/67/32/185396732.db2.gz DVDAWGCQDBQDTD-MRXNPFEDSA-N 1 0 324.472 3.931 50 0 DHAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095423673 185361168 /nfs/dbraw/zinc/36/11/68/185361168.db2.gz YDQZGRCFHHXKIA-GGPKGHCWSA-N 1 0 321.420 3.681 50 0 DHAARO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000095423914 185361225 /nfs/dbraw/zinc/36/12/25/185361225.db2.gz KPNPBGLPBDAABH-GOEBONIOSA-N 1 0 318.486 3.506 50 0 DHAARO CCc1ccc(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)s1 ZINC000095453104 185369535 /nfs/dbraw/zinc/36/95/35/185369535.db2.gz MPWIMCGKAUZGLZ-UHFFFAOYSA-N 1 0 308.491 3.580 50 0 DHAARO COC(=O)CC1([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000095453401 185369553 /nfs/dbraw/zinc/36/95/53/185369553.db2.gz ZNWCPXSYALLPKP-DLBZAZTESA-N 1 0 301.430 3.646 50 0 DHAARO C[NH+](C)CC[C@H]1CCCCN1Cc1cncn1C1CCCCC1 ZINC000072127483 191042953 /nfs/dbraw/zinc/04/29/53/191042953.db2.gz GVPNXSOARAWYFA-QGZVFWFLSA-N 1 0 318.509 3.695 50 0 DHAARO Cc1cc(CN2CCC[N@H+](Cc3cccs3)CC2)oc1C ZINC000072132974 191044718 /nfs/dbraw/zinc/04/47/18/191044718.db2.gz ZUKUYVMNRIXQAK-UHFFFAOYSA-N 1 0 304.459 3.666 50 0 DHAARO Cc1sc2ccccc2c1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000072133191 191044768 /nfs/dbraw/zinc/04/47/68/191044768.db2.gz MZPVUHWHWIWDMW-AWEZNQCLSA-N 1 0 316.470 3.687 50 0 DHAARO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1cccc2nonc21 ZINC000072154174 191059154 /nfs/dbraw/zinc/05/91/54/191059154.db2.gz NQPLVNXIQWXNNS-UHFFFAOYSA-N 1 0 320.352 3.510 50 0 DHAARO O=C(Nc1cccc2ncccc21)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072158810 191061654 /nfs/dbraw/zinc/06/16/54/191061654.db2.gz FXUQJQKFWNRDAC-AWEZNQCLSA-N 1 0 317.392 3.564 50 0 DHAARO Fc1ccc(OC[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000072141928 191048836 /nfs/dbraw/zinc/04/88/36/191048836.db2.gz IUNZVMXHDUWCKU-INIZCTEOSA-N 1 0 300.377 3.512 50 0 DHAARO CC(C)n1ccnc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000072171434 191069049 /nfs/dbraw/zinc/06/90/49/191069049.db2.gz ABDDMIPHCWBUNY-KRWDZBQOSA-N 1 0 313.445 3.911 50 0 DHAARO CC[NH+](CC)CCSc1nc(C)nc2sc3c(c21)CCC3 ZINC000072301760 191115005 /nfs/dbraw/zinc/11/50/05/191115005.db2.gz YGYLRILGWQCPBC-UHFFFAOYSA-N 1 0 321.515 3.922 50 0 DHAARO Cc1cccc(C[NH2+][C@H]2CSC[C@@H]2C)c1Br ZINC000253393514 186303752 /nfs/dbraw/zinc/30/37/52/186303752.db2.gz DYSKIDLOLXLQAJ-JQWIXIFHSA-N 1 0 300.265 3.599 50 0 DHAARO CC(C)(O)CCc1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000072435456 191166285 /nfs/dbraw/zinc/16/62/85/191166285.db2.gz FGJZLJNEXBQIGS-UHFFFAOYSA-N 1 0 324.468 3.950 50 0 DHAARO O[C@H](CCc1ccccc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000072468335 191175644 /nfs/dbraw/zinc/17/56/44/191175644.db2.gz JDWANCVGTUEVNJ-LJQANCHMSA-N 1 0 315.482 3.954 50 0 DHAARO Cc1ccc2[nH]c(=O)c(-[n+]3ccccc3)c(-c3ccccc3)c2c1 ZINC000000194566 180721767 /nfs/dbraw/zinc/72/17/67/180721767.db2.gz RDLDLNJBWAJVSJ-UHFFFAOYSA-O 1 0 313.380 3.780 50 0 DHAARO COc1cc(C)c(CN2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000000276839 180746152 /nfs/dbraw/zinc/74/61/52/180746152.db2.gz QAGDSFZSOFYZTB-UHFFFAOYSA-N 1 0 316.489 3.762 50 0 DHAARO C[C@H]1C(c2ccc(Cl)cc2)[N+](=O)[C@@](C)(c2ccccc2)N1O ZINC000000304435 180753545 /nfs/dbraw/zinc/75/35/45/180753545.db2.gz FLUZNXLMFXJQIA-SJCJKPOMSA-N 1 0 316.788 3.606 50 0 DHAARO COc1ccccc1C(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000002515491 180930230 /nfs/dbraw/zinc/93/02/30/180930230.db2.gz MLFQOWCXNRAXPV-UHFFFAOYSA-N 1 0 309.409 3.912 50 0 DHAARO CC[NH+](CC)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000004108424 181074072 /nfs/dbraw/zinc/07/40/72/181074072.db2.gz ZTDPCMHYSZWOHQ-UHFFFAOYSA-N 1 0 308.425 3.792 50 0 DHAARO CC(C)[C@@]12CC[C@@](C)(O1)[C@H](Oc1cccc(Cl)c1C[NH3+])C2 ZINC000004110221 181074850 /nfs/dbraw/zinc/07/48/50/181074850.db2.gz XDWGFIVVEJQCFN-ZACQAIPSSA-N 1 0 309.837 3.914 50 0 DHAARO CC(=O)O[C@]1([C@H](C)C[NH+](C)C)CCCC[C@@H]1c1ccccc1 ZINC000004213958 181085412 /nfs/dbraw/zinc/08/54/12/181085412.db2.gz TVQPXLMQOZWEBA-LZQZEXGQSA-N 1 0 303.446 3.844 50 0 in-man DHAARO COc1ccc(-c2cc(N3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000004542560 181122342 /nfs/dbraw/zinc/12/23/42/181122342.db2.gz SZHWHPXVUVDSCM-UHFFFAOYSA-N 1 0 320.392 3.747 50 0 DHAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004488522 181114354 /nfs/dbraw/zinc/11/43/54/181114354.db2.gz CBFFWRRTANHSOQ-UHFFFAOYSA-N 1 0 321.376 3.867 50 0 DHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccs2)N3)C1 ZINC000004556134 181123898 /nfs/dbraw/zinc/12/38/98/181123898.db2.gz VNNDLTJLUMCMCA-CYBMUJFWSA-N 1 0 319.455 3.617 50 0 DHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccco2)N3)C1 ZINC000004554032 181124157 /nfs/dbraw/zinc/12/41/57/181124157.db2.gz DPERDGXWKFXBOX-AWEZNQCLSA-N 1 0 317.414 3.537 50 0 DHAARO CCCCOc1cc(Br)c(C[NH2+]CC)cc1OC ZINC000004670853 181134694 /nfs/dbraw/zinc/13/46/94/181134694.db2.gz QQNRSKBNEPSOKN-UHFFFAOYSA-N 1 0 316.239 3.746 50 0 DHAARO COc1cccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)c1 ZINC000004678653 181136162 /nfs/dbraw/zinc/13/61/62/181136162.db2.gz WJDPPPQPDWKXBB-UHFFFAOYSA-N 1 0 311.360 3.847 50 0 DHAARO CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=[NH2+])o1 ZINC000004709658 181140443 /nfs/dbraw/zinc/14/04/43/181140443.db2.gz VHVBZMYQNGVFQN-UHFFFAOYSA-N 1 0 317.414 3.714 50 0 DHAARO CCOc1ccc2ccccc2c1/C=C1/[C@@H](O)C2CC[NH+]1CC2 ZINC000004833085 181158584 /nfs/dbraw/zinc/15/85/84/181158584.db2.gz XMHHNSHTAVYEQV-LVSKKATPSA-N 1 0 309.409 3.666 50 0 DHAARO CC(=O)CCc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000004841719 181161339 /nfs/dbraw/zinc/16/13/39/181161339.db2.gz DZAGTDBLILVYNL-UHFFFAOYSA-N 1 0 303.446 3.709 50 0 DHAARO COc1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(OC)c1 ZINC000004862953 181165002 /nfs/dbraw/zinc/16/50/02/181165002.db2.gz FVYAKXPHDKXQFM-FMIVXFBMSA-N 1 0 306.385 3.852 50 0 DHAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000005019781 181191597 /nfs/dbraw/zinc/19/15/97/181191597.db2.gz XVGXLEKSUXPQER-GFCCVEGCSA-N 1 0 304.217 3.661 50 0 DHAARO O[C@]12CCCC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)[NH2+]CC2 ZINC000005030752 181193797 /nfs/dbraw/zinc/19/37/97/181193797.db2.gz ACIPGBAJNWOPTK-CQDKDKBSSA-N 1 0 300.229 3.949 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000005030951 181194206 /nfs/dbraw/zinc/19/42/06/181194206.db2.gz JHZGVRGOFWFLNQ-DLBZAZTESA-N 1 0 305.462 3.590 50 0 DHAARO CCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC ZINC000005051138 181196942 /nfs/dbraw/zinc/19/69/42/181196942.db2.gz RSOCFTQYHGQQGV-UHFFFAOYSA-N 1 0 324.424 3.908 50 0 DHAARO CCC[NH+](CCC)CP12(O[C@H](C)[C@H](C)O1)O[C@H](C)[C@H](C)O2 ZINC000005298660 181227946 /nfs/dbraw/zinc/22/79/46/181227946.db2.gz RXAWBXAKAOSLAY-NMWPEEMBSA-N 1 0 321.398 3.927 50 0 DHAARO C/C(=C\c1ccccc1)C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000192674862 200920924 /nfs/dbraw/zinc/92/09/24/200920924.db2.gz RPWCTJNJBYYWPW-SAPNQHFASA-N 1 0 314.473 3.717 50 0 DHAARO Cc1cc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)ccc1C(C)C ZINC000195528923 201398455 /nfs/dbraw/zinc/39/84/55/201398455.db2.gz OJDWWRKFGQIMLD-WBVHZDCISA-N 1 0 305.462 3.590 50 0 DHAARO O[C@]12CCCC[C@@H]1[C@H](c1cccc(Cl)c1Cl)[NH2+]CC2 ZINC000006658428 181366408 /nfs/dbraw/zinc/36/64/08/181366408.db2.gz VIWGFBVZEDAVEE-UGFHNGPFSA-N 1 0 300.229 3.949 50 0 DHAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000006731381 181379011 /nfs/dbraw/zinc/37/90/11/181379011.db2.gz FNPGPPKOMSXJIK-UHFFFAOYSA-N 1 0 308.425 3.580 50 0 DHAARO Cc1nc([C@@H](C)N(C)C(=O)C[NH+]2CCCCCCC2)c(C)s1 ZINC000091873351 193121100 /nfs/dbraw/zinc/12/11/00/193121100.db2.gz MACBEUGRVNMNOG-CYBMUJFWSA-N 1 0 323.506 3.545 50 0 DHAARO C[C@@H]1C(=O)CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]12 ZINC000257356000 203068361 /nfs/dbraw/zinc/06/83/61/203068361.db2.gz FBSPYDKHZVACEY-URLYELCFSA-N 1 0 308.425 3.702 50 0 DHAARO O=C(c1c(F)cc(F)cc1F)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000093440812 193252566 /nfs/dbraw/zinc/25/25/66/193252566.db2.gz NTGACIBCEJQUMT-UHFFFAOYSA-N 1 0 322.330 3.527 50 0 DHAARO CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1C ZINC000093444954 193252794 /nfs/dbraw/zinc/25/27/94/193252794.db2.gz VOMGCURWBJJXLE-LJQANCHMSA-N 1 0 312.461 3.950 50 0 DHAARO Cn1cc(C[NH2+][C@H]2CCCOc3c4ccccc4ccc32)cn1 ZINC000096460040 193657126 /nfs/dbraw/zinc/65/71/26/193657126.db2.gz HORCHTPFIMRMHE-SFHVURJKSA-N 1 0 307.397 3.577 50 0 DHAARO CCn1c2ccccc2nc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000008165439 181532019 /nfs/dbraw/zinc/53/20/19/181532019.db2.gz JYTRMNXYAZKBIN-QGZVFWFLSA-N 1 0 305.425 3.703 50 0 DHAARO O=C(c1ccccc1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000008613172 181569376 /nfs/dbraw/zinc/56/93/76/181569376.db2.gz RCDIVBQDGNALGO-GOSISDBHSA-N 1 0 300.446 3.557 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000016445027 182045188 /nfs/dbraw/zinc/04/51/88/182045188.db2.gz URMKPZLFZGJRDW-CQSZACIVSA-N 1 0 301.386 3.572 50 0 DHAARO O=C(Nc1cccc2ccccc21)N1CC[NH+](C2CCCC2)CC1 ZINC000016578315 182049732 /nfs/dbraw/zinc/04/97/32/182049732.db2.gz KKPBSRWQOXWDAH-UHFFFAOYSA-N 1 0 323.440 3.932 50 0 DHAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000016604214 182052520 /nfs/dbraw/zinc/05/25/20/182052520.db2.gz BWVHDQURWSPAJW-UHFFFAOYSA-N 1 0 322.452 3.698 50 0 DHAARO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016607063 182053067 /nfs/dbraw/zinc/05/30/67/182053067.db2.gz JDWYCZKNINXFTE-UHFFFAOYSA-N 1 0 312.388 3.676 50 0 DHAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016606859 182053177 /nfs/dbraw/zinc/05/31/77/182053177.db2.gz KKIFSLIULRKCGM-UHFFFAOYSA-N 1 0 308.425 3.846 50 0 DHAARO CCc1ccc([C@@H](CNC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000018180263 182097088 /nfs/dbraw/zinc/09/70/88/182097088.db2.gz VWYIHAWWBCPLPP-GOSISDBHSA-N 1 0 311.429 3.673 50 0 DHAARO COc1ccc(CC[NH2+]Cc2ccccc2Br)cc1 ZINC000019554719 182129197 /nfs/dbraw/zinc/12/91/97/182129197.db2.gz FVXLXLDZFXFCQP-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO COc1cccc(C[NH2+]CCc2cccc(Cl)c2)c1OC ZINC000019642963 182134372 /nfs/dbraw/zinc/13/43/72/182134372.db2.gz BZEWYTAZWAZJJA-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2CC)C1 ZINC000019744991 182141899 /nfs/dbraw/zinc/14/18/99/182141899.db2.gz LWASBAYXMLHKKB-KRWDZBQOSA-N 1 0 313.445 3.750 50 0 DHAARO Cc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019781873 182148501 /nfs/dbraw/zinc/14/85/01/182148501.db2.gz CXEOXHFRVSMJHA-UHFFFAOYSA-N 1 0 314.860 3.966 50 0 DHAARO CCc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000019842360 182155713 /nfs/dbraw/zinc/15/57/13/182155713.db2.gz MOPWHVWGYGEVEB-UHFFFAOYSA-N 1 0 312.432 3.706 50 0 DHAARO Cc1cccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000019781972 182148527 /nfs/dbraw/zinc/14/85/27/182148527.db2.gz KFKYJOPUCCKHKB-UHFFFAOYSA-N 1 0 314.860 3.966 50 0 DHAARO CN1CC[NH+]([C@@H]2Cc3ccccc3Sc3ccccc32)CC1 ZINC000019801865 182151518 /nfs/dbraw/zinc/15/15/18/182151518.db2.gz MYFNXITXHNLSJY-QGZVFWFLSA-N 1 0 310.466 3.682 50 0 DHAARO CCc1cccc2c1Sc1ccccc1C[C@H]2N1CC[NH2+]CC1 ZINC000019802448 182151679 /nfs/dbraw/zinc/15/16/79/182151679.db2.gz VRWXAWXVRQECLB-GOSISDBHSA-N 1 0 324.493 3.903 50 0 DHAARO Fc1ccccc1CN1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000019836566 182155047 /nfs/dbraw/zinc/15/50/47/182155047.db2.gz KDCAQERTCVPUAM-IBGZPJMESA-N 1 0 312.432 3.622 50 0 DHAARO C[C@H]1CCC[C@@H]([NH+]2CCN(CCCc3ccccc3)CC2)C1 ZINC000019900099 182161684 /nfs/dbraw/zinc/16/16/84/182161684.db2.gz KOXWBYMAFNJUMY-AZUAARDMSA-N 1 0 300.490 3.816 50 0 DHAARO Fc1ccccc1-c1n[nH]c2c1C[N@H+](C/C=C/c1ccco1)CC2 ZINC000019852007 182157410 /nfs/dbraw/zinc/15/74/10/182157410.db2.gz OSMQMBVCYFYIKT-HWKANZROSA-N 1 0 323.371 3.880 50 0 DHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(CCCc3ccccc3)CC2)C1 ZINC000019900098 182161426 /nfs/dbraw/zinc/16/14/26/182161426.db2.gz KOXWBYMAFNJUMY-UYAOXDASSA-N 1 0 300.490 3.816 50 0 DHAARO CC[NH+]1CCN(CCCOc2cc(C)ccc2C(C)C)CC1 ZINC000020322711 182206713 /nfs/dbraw/zinc/20/67/13/182206713.db2.gz ZMBRKJBFLYRRKY-UHFFFAOYSA-N 1 0 304.478 3.525 50 0 DHAARO Cc1ccc2nc(-c3ccccc3)c(C[NH+]3CCSCC3)n2c1 ZINC000020366664 182211507 /nfs/dbraw/zinc/21/15/07/182211507.db2.gz XOSJREHQEMLOML-UHFFFAOYSA-N 1 0 323.465 3.859 50 0 DHAARO FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000020528361 182227072 /nfs/dbraw/zinc/22/70/72/182227072.db2.gz WVAZFWKUGWRAPQ-KRWDZBQOSA-N 1 0 320.358 3.682 50 0 DHAARO CC(C)Oc1ccc([C@H](CC[NH+]2CCN(C)CC2)C(C)C)cc1 ZINC000020589784 182235879 /nfs/dbraw/zinc/23/58/79/182235879.db2.gz VQJJGCNIZPNNAP-HXUWFJFHSA-N 1 0 318.505 3.851 50 0 DHAARO Clc1ccc(C[NH2+]CCc2ccc3c(c2)OCCO3)s1 ZINC000021009238 182259595 /nfs/dbraw/zinc/25/95/95/182259595.db2.gz LJZMYZAKHLIVBJ-UHFFFAOYSA-N 1 0 309.818 3.505 50 0 DHAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000021175370 182268080 /nfs/dbraw/zinc/26/80/80/182268080.db2.gz GJHBPYFLHLNCQU-CYBMUJFWSA-N 1 0 321.852 3.726 50 0 DHAARO Cc1ccsc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000021639685 182282405 /nfs/dbraw/zinc/28/24/05/182282405.db2.gz MIJKYHDAHKNCLQ-UHFFFAOYSA-N 1 0 314.454 3.582 50 0 DHAARO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)CCCC(C)(C)O)cc1 ZINC000023283022 182355437 /nfs/dbraw/zinc/35/54/37/182355437.db2.gz SGLFAELVOKUDOS-HZPDHXFCSA-N 1 0 307.478 3.936 50 0 DHAARO COc1ccc(CC[C@H](C)[NH2+]CCc2cccc(F)c2)cc1 ZINC000023282928 182355964 /nfs/dbraw/zinc/35/59/64/182355964.db2.gz QSKHDTKGKVYOGI-HNNXBMFYSA-N 1 0 301.405 3.988 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000030662019 182595162 /nfs/dbraw/zinc/59/51/62/182595162.db2.gz INLZZKNSPOOZFG-LSDHHAIUSA-N 1 0 314.351 3.856 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+](C(C)C)C(C)C ZINC000035052950 182749230 /nfs/dbraw/zinc/74/92/30/182749230.db2.gz FVWVHROWEIKEIH-NCXUSEDFSA-N 1 0 313.526 3.944 50 0 DHAARO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1 ZINC000036095244 182798459 /nfs/dbraw/zinc/79/84/59/182798459.db2.gz MPCZEEFOLWCWEH-LJQANCHMSA-N 1 0 313.441 3.511 50 0 DHAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000042229415 183244386 /nfs/dbraw/zinc/24/43/86/183244386.db2.gz WZVMSSLVZWQECD-CQSZACIVSA-N 1 0 309.335 3.606 50 0 DHAARO Clc1cc(Br)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772252 183306791 /nfs/dbraw/zinc/30/67/91/183306791.db2.gz CKAPMCKFVWBRDN-JTQLQIEISA-N 1 0 318.642 3.871 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CCC2)C1 ZINC000048313379 183642675 /nfs/dbraw/zinc/64/26/75/183642675.db2.gz CGKXGEHWHBMPTD-HOTGVXAUSA-N 1 0 314.473 3.581 50 0 DHAARO CCOC(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000057626559 184042749 /nfs/dbraw/zinc/04/27/49/184042749.db2.gz MXKMBOKOUCGVTP-KRWDZBQOSA-N 1 0 305.418 3.566 50 0 DHAARO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000058160069 184082358 /nfs/dbraw/zinc/08/23/58/184082358.db2.gz DTMCRDYHTUVPJB-KBPBESRZSA-N 1 0 310.397 3.567 50 0 DHAARO COc1c(C[NH2+][C@H]2CCCc3ccccc32)c(C(C)C)nn1C ZINC000058407784 184114350 /nfs/dbraw/zinc/11/43/50/184114350.db2.gz VNVLKDYWMKMHMO-KRWDZBQOSA-N 1 0 313.445 3.719 50 0 DHAARO CC1(C)CC(NC(=O)c2sccc2C2CC2)CC(C)(C)[NH2+]1 ZINC000060476732 184150078 /nfs/dbraw/zinc/15/00/78/184150078.db2.gz PNQIGVCHTQGYMD-UHFFFAOYSA-N 1 0 306.475 3.665 50 0 DHAARO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000059578275 184139550 /nfs/dbraw/zinc/13/95/50/184139550.db2.gz GSOXCCXZVROLMH-HXUWFJFHSA-N 1 0 322.452 3.953 50 0 DHAARO c1ccc(-c2ncc3c(n2)CCC[C@@H]3[NH2+]Cc2ccncc2)cc1 ZINC000064166829 184292372 /nfs/dbraw/zinc/29/23/72/184292372.db2.gz RRHISCCPUKCBMN-SFHVURJKSA-N 1 0 316.408 3.706 50 0 DHAARO c1ccc2c(c1)cccc2OCCN1CCC([NH+]2CCCC2)CC1 ZINC000065041073 184309366 /nfs/dbraw/zinc/30/93/66/184309366.db2.gz MXRYNBWFQGRPNZ-UHFFFAOYSA-N 1 0 324.468 3.779 50 0 DHAARO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000065387468 184334152 /nfs/dbraw/zinc/33/41/52/184334152.db2.gz RVGUHUCBUQHVNJ-NRFANRHFSA-N 1 0 318.420 3.637 50 0 DHAARO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000065373101 184330622 /nfs/dbraw/zinc/33/06/22/184330622.db2.gz IKFVDRFLLDJNMB-ZDUSSCGKSA-N 1 0 311.360 3.597 50 0 DHAARO CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000065376304 184331419 /nfs/dbraw/zinc/33/14/19/184331419.db2.gz HMWJZFKYRZZPFZ-QGZVFWFLSA-N 1 0 312.413 3.696 50 0 DHAARO COc1ccc(-c2[nH]cnc2-c2ccccc2)cc1C[NH+](C)C ZINC000065381240 184331961 /nfs/dbraw/zinc/33/19/61/184331961.db2.gz OUYJTOBYLUUNOD-UHFFFAOYSA-N 1 0 307.397 3.814 50 0 DHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccn1-c1ccccn1 ZINC000065505945 184356484 /nfs/dbraw/zinc/35/64/84/184356484.db2.gz XELDMFFDIIEOSX-KRWDZBQOSA-N 1 0 322.412 3.814 50 0 DHAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cc(-c3ccccc3)no2)c1 ZINC000069520680 184522353 /nfs/dbraw/zinc/52/23/53/184522353.db2.gz DDRSUZLRZIGMMB-HUUCEWRRSA-N 1 0 310.401 3.586 50 0 DHAARO Oc1ccc(C2CCC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000155113067 197023876 /nfs/dbraw/zinc/02/38/76/197023876.db2.gz WRQWNDSBORMSRQ-UNJRMKSESA-N 1 0 315.457 3.966 50 0 DHAARO Cc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1C ZINC000022147088 256530500 /nfs/dbraw/zinc/53/05/00/256530500.db2.gz QRJRNPCRRILKBV-INIZCTEOSA-N 1 0 307.478 3.848 50 0 DHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237523876 257238720 /nfs/dbraw/zinc/23/87/20/257238720.db2.gz SRWLELUVGURBRO-FZMZJTMJSA-N 1 0 318.417 3.506 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl)[C@H]1CCOC1 ZINC000521394536 257241219 /nfs/dbraw/zinc/24/12/19/257241219.db2.gz PJRCCRQYDWQHAA-UTLUCORTSA-N 1 0 322.758 3.829 50 0 DHAARO c1ccc2c(c1)sc1c2cccc1CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC000426677349 257244185 /nfs/dbraw/zinc/24/41/85/257244185.db2.gz CDFZLCDCMVKPGU-SUMWQHHRSA-N 1 0 308.450 3.848 50 0 DHAARO CCOc1ncccc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000426685448 257244585 /nfs/dbraw/zinc/24/45/85/257244585.db2.gz ULWJMWNZESFVJG-UHFFFAOYSA-N 1 0 312.413 3.622 50 0 DHAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)cn2ccnc12 ZINC000426632937 257245172 /nfs/dbraw/zinc/24/51/72/257245172.db2.gz VIEVEJVNGUYYQI-INIZCTEOSA-N 1 0 321.424 3.703 50 0 DHAARO CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)C1CCOCC1 ZINC000408513193 257256015 /nfs/dbraw/zinc/25/60/15/257256015.db2.gz PSMOGYQKEINAEQ-QGZVFWFLSA-N 1 0 300.402 3.636 50 0 DHAARO O=[N+]1C(c2cccc(C(F)(F)F)c2)=CN(O)[C@@H]2CCCC[C@H]21 ZINC000334157312 257261656 /nfs/dbraw/zinc/26/16/56/257261656.db2.gz IQSMOYZICQIYJL-CHWSQXEVSA-N 1 0 313.299 3.799 50 0 DHAARO c1csc(COc2ccc(C[NH2+]C[C@H]3CCCO3)cc2)c1 ZINC000016430653 257268608 /nfs/dbraw/zinc/26/86/08/257268608.db2.gz FXCLMISDXDCPOL-MRXNPFEDSA-N 1 0 303.427 3.596 50 0 DHAARO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(F)cc1 ZINC000066970180 134832439 /nfs/dbraw/zinc/83/24/39/134832439.db2.gz HUYLHTWBGCRVCO-OAHLLOKOSA-N 1 0 314.404 3.513 50 0 DHAARO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000186141349 332914942 /nfs/dbraw/zinc/91/49/42/332914942.db2.gz WKOPWPPIFLCJPW-GFCCVEGCSA-N 1 0 318.442 3.791 50 0 DHAARO Cc1ccc([C@@H](C)[NH2+]CCc2nccn2Cc2ccccc2)o1 ZINC000095420012 332170141 /nfs/dbraw/zinc/17/01/41/332170141.db2.gz WWJRVQASSAKUIC-MRXNPFEDSA-N 1 0 309.413 3.726 50 0 DHAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000534574476 334287497 /nfs/dbraw/zinc/28/74/97/334287497.db2.gz WHGIMXVKOAHTCN-GFCCVEGCSA-N 1 0 308.853 3.612 50 0 DHAARO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C1CCCC1 ZINC000534667091 334319169 /nfs/dbraw/zinc/31/91/69/334319169.db2.gz MQPYXIMFDBJPDB-KRWDZBQOSA-N 1 0 320.864 3.783 50 0 DHAARO CC(C)(Cc1ccccc1Cl)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000105492103 336387640 /nfs/dbraw/zinc/38/76/40/336387640.db2.gz URHJLPMMYGGWAB-UHFFFAOYSA-N 1 0 316.832 3.550 50 0 DHAARO Cc1cc(-c2nnc(C[N@@H+](C)[C@H]3CCCC[C@@H]3C)o2)c(C)o1 ZINC000097103347 337382351 /nfs/dbraw/zinc/38/23/51/337382351.db2.gz NPLHIJKKNIZWBC-NHYWBVRUSA-N 1 0 303.406 3.957 50 0 DHAARO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115636725 337382944 /nfs/dbraw/zinc/38/29/44/337382944.db2.gz SNAIUNSQVSFVCO-UHFFFAOYSA-N 1 0 315.442 3.534 50 0 DHAARO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925556 518178299 /nfs/dbraw/zinc/17/82/99/518178299.db2.gz BCRJUUNOJFQCPO-GFCCVEGCSA-N 1 0 300.427 3.947 50 0 DHAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1 ZINC000247767261 563538774 /nfs/dbraw/zinc/53/87/74/563538774.db2.gz LPIQBFXXSMMTNJ-KBPBESRZSA-N 1 0 306.837 3.791 50 0 DHAARO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000107363546 563683297 /nfs/dbraw/zinc/68/32/97/563683297.db2.gz DLGNDWTWKHHPGJ-HZPDHXFCSA-N 1 0 320.502 3.548 50 0 DHAARO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249400763 563909442 /nfs/dbraw/zinc/90/94/42/563909442.db2.gz UXPVCZLLUGMTLH-BNOWGMLFSA-N 1 0 303.372 3.538 50 0 DHAARO O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000000052311 563212047 /nfs/dbraw/zinc/21/20/47/563212047.db2.gz QGDPUOFWKLLOFY-OAHLLOKOSA-N 1 0 321.852 3.869 50 0 DHAARO CCOc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000243789 563232880 /nfs/dbraw/zinc/23/28/80/563232880.db2.gz BDGUYDMMFGREGX-UHFFFAOYSA-N 1 0 302.462 3.536 50 0 DHAARO Cc1cc(OC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1C(C)C ZINC000000280891 563235327 /nfs/dbraw/zinc/23/53/27/563235327.db2.gz SXCRVWNKGOOLGY-KRWDZBQOSA-N 1 0 305.462 3.590 50 0 DHAARO CC[NH+](CC)C[C@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 ZINC000000340723 563242031 /nfs/dbraw/zinc/24/20/31/563242031.db2.gz UEJSOIXKDUIOAO-UXHICEINSA-N 1 0 313.441 3.854 50 0 DHAARO O=C(c1cccc2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000000355314 563243777 /nfs/dbraw/zinc/24/37/77/563243777.db2.gz NYUWWJZZBJQJNA-UHFFFAOYSA-N 1 0 322.452 3.930 50 0 DHAARO C[C@H](C[NH+]1CCCC1)OC(=O)c1ccc(Cl)cc1Cl ZINC000000383062 563248391 /nfs/dbraw/zinc/24/83/91/563248391.db2.gz IILDXKCGGVSCJN-SNVBAGLBSA-N 1 0 302.201 3.635 50 0 DHAARO CCc1ccc([C@]2(O)C[n+]3ccccc3N2c2ccccc2)cc1 ZINC000000390335 563249309 /nfs/dbraw/zinc/24/93/09/563249309.db2.gz WIQXBUDTSZZSQG-OAQYLSRUSA-N 1 0 317.412 3.534 50 0 DHAARO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000000455521 563257730 /nfs/dbraw/zinc/25/77/30/563257730.db2.gz YZJISGOMNUVGSS-UHFFFAOYSA-N 1 0 320.864 3.565 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000001229436 563279891 /nfs/dbraw/zinc/27/98/91/563279891.db2.gz ZYDIJYHBHFHSQJ-ROUUACIJSA-N 1 0 300.490 3.671 50 0 DHAARO C[NH+](C)CCCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000001972929 563297569 /nfs/dbraw/zinc/29/75/69/563297569.db2.gz NEXJNUVGUPSFHS-UHFFFAOYSA-N 1 0 312.442 3.722 50 0 DHAARO OCCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000002178086 563301680 /nfs/dbraw/zinc/30/16/80/563301680.db2.gz YINNFAZGMMIJFN-UHFFFAOYSA-N 1 0 319.832 3.781 50 0 DHAARO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1C ZINC000002485501 563304350 /nfs/dbraw/zinc/30/43/50/563304350.db2.gz TYXVKJFVMFVWGF-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO Cc1cc(OCCOCC[NH+]2CCCCC2)cc(C)c1Cl ZINC000002896206 563317373 /nfs/dbraw/zinc/31/73/73/563317373.db2.gz IDEXVKFORPKFIQ-UHFFFAOYSA-N 1 0 311.853 3.838 50 0 DHAARO Cc1cccc(Cl)c1OCCOCC[NH+]1CCC(C)CC1 ZINC000002956429 563317983 /nfs/dbraw/zinc/31/79/83/563317983.db2.gz ZCTCDRCCEKXUMW-UHFFFAOYSA-N 1 0 311.853 3.776 50 0 DHAARO CCCC[NH2+]CCCOc1ccc(Br)cc1C ZINC000003001737 563320680 /nfs/dbraw/zinc/32/06/80/563320680.db2.gz PKXZWHXROMUSSW-UHFFFAOYSA-N 1 0 300.240 3.916 50 0 DHAARO CCCCOc1ccccc1NC(=O)OC[C@H]1CCCC[N@@H+]1C ZINC000003130186 563322558 /nfs/dbraw/zinc/32/25/58/563322558.db2.gz JHFFPLHBCMXGSF-OAHLLOKOSA-N 1 0 320.433 3.898 50 0 DHAARO Cc1ccccc1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004685212 563327477 /nfs/dbraw/zinc/32/74/77/563327477.db2.gz JIDSDOFVWLDODV-UHFFFAOYSA-N 1 0 305.491 3.591 50 0 DHAARO C[C@H]1SCCN(Cc2nc(C3CC3)no2)[C@@H]1c1ccccc1 ZINC000071911158 563333262 /nfs/dbraw/zinc/33/32/62/563333262.db2.gz KNMAFRRAMVBWNN-WBMJQRKESA-N 1 0 315.442 3.626 50 0 DHAARO Cc1ccc(-c2nnc(NCCC[NH+](C)C)c3ccccc32)cc1 ZINC000002889257 563343406 /nfs/dbraw/zinc/34/34/06/563343406.db2.gz MXQHJEXIRAGIOT-UHFFFAOYSA-N 1 0 320.440 3.969 50 0 DHAARO Cc1ccc([C@@]2(O)C[N+](c3cccc(C)c3)=C3CCCCN32)cc1 ZINC000002966457 563345420 /nfs/dbraw/zinc/34/54/20/563345420.db2.gz CGUMXROHAWDPNA-NRFANRHFSA-N 1 0 321.444 3.564 50 0 DHAARO CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000011911987 563359892 /nfs/dbraw/zinc/35/98/92/563359892.db2.gz QABQQBLEZXMWTQ-GFCCVEGCSA-N 1 0 305.372 3.944 50 0 DHAARO CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)c(C)c1)C[C@H]1CCCO1 ZINC000011819800 563360244 /nfs/dbraw/zinc/36/02/44/563360244.db2.gz UUBIODINCSCANT-GOSISDBHSA-N 1 0 313.445 3.694 50 0 DHAARO C[N@H+](Cc1nc(Cc2ccccc2F)no1)C1CCCCC1 ZINC000012058303 563361734 /nfs/dbraw/zinc/36/17/34/563361734.db2.gz ZFHJWCYXLOTWML-UHFFFAOYSA-N 1 0 303.381 3.564 50 0 DHAARO CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2C(=O)Nc2cccc(F)c2)CC1 ZINC000012164206 563363047 /nfs/dbraw/zinc/36/30/47/563363047.db2.gz ANYJBAZROMFFPC-RHSMWYFYSA-N 1 0 318.436 3.912 50 0 DHAARO COc1ccc(CC[C@@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)cc1 ZINC000012198008 563363916 /nfs/dbraw/zinc/36/39/16/563363916.db2.gz KOHAIZVKOFCOSE-KRWDZBQOSA-N 1 0 313.445 3.572 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000012382550 563367784 /nfs/dbraw/zinc/36/77/84/563367784.db2.gz PPXYGQKIQTYVSC-UHFFFAOYSA-N 1 0 315.244 3.596 50 0 DHAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000012978685 563375809 /nfs/dbraw/zinc/37/58/09/563375809.db2.gz FJFSQZNOTCAUII-CQSZACIVSA-N 1 0 324.424 3.741 50 0 DHAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCc3ccccc32)c(C)c1 ZINC000032739757 563388901 /nfs/dbraw/zinc/38/89/01/563388901.db2.gz HEPKGBCEDQVFCN-QGZVFWFLSA-N 1 0 322.452 3.713 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000032755355 563391459 /nfs/dbraw/zinc/39/14/59/563391459.db2.gz GSFSTPBMDAZBRL-VQTJNVASSA-N 1 0 322.452 3.526 50 0 DHAARO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000014360279 563400460 /nfs/dbraw/zinc/40/04/60/563400460.db2.gz QLYHNZAWWXYRRP-AOIWGVFYSA-N 1 0 316.489 3.838 50 0 DHAARO CCC(=O)c1ccc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489089 563412325 /nfs/dbraw/zinc/41/23/25/563412325.db2.gz XMWUZASLQCBKFX-IYBDPMFKSA-N 1 0 319.445 3.548 50 0 DHAARO CCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1Cl ZINC000020177134 563417099 /nfs/dbraw/zinc/41/70/99/563417099.db2.gz NPDWDTUSCZVFMZ-INIZCTEOSA-N 1 0 305.805 3.562 50 0 DHAARO Cc1nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2[nH]1 ZINC000010896066 563419677 /nfs/dbraw/zinc/41/96/77/563419677.db2.gz WZSJLAFHSJHFGZ-UHFFFAOYSA-N 1 0 315.760 3.542 50 0 DHAARO C[C@@H]1C[N@@H+](CCOc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000013153583 563420784 /nfs/dbraw/zinc/42/07/84/563420784.db2.gz NHWONOABSYXUBC-CALCHBBNSA-N 1 0 311.425 3.842 50 0 DHAARO CC1CC[NH+]([C@H](CNC(=O)C2CCCC2)c2cccs2)CC1 ZINC000027573600 563428142 /nfs/dbraw/zinc/42/81/42/563428142.db2.gz SKXAWUPZHRAEFD-MRXNPFEDSA-N 1 0 320.502 3.828 50 0 DHAARO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000029482966 563434589 /nfs/dbraw/zinc/43/45/89/563434589.db2.gz UKXXAOVUAKNERU-QGZVFWFLSA-N 1 0 314.816 3.898 50 0 DHAARO C[C@@H](Nc1nc(C(F)F)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000072284380 563434840 /nfs/dbraw/zinc/43/48/40/563434840.db2.gz RPVXTMQJJDARPW-LLVKDONJSA-N 1 0 320.387 3.710 50 0 DHAARO CCN(CC)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)c1ccco1 ZINC000032553508 563442846 /nfs/dbraw/zinc/44/28/46/563442846.db2.gz YMKSNRWUBIMEHM-INIZCTEOSA-N 1 0 308.372 3.731 50 0 DHAARO COc1ccc(C[N@H+](C)Cc2cc(=O)oc3ccc(C)cc23)cc1 ZINC000033018621 563444154 /nfs/dbraw/zinc/44/41/54/563444154.db2.gz DQFGYVZFAOKZCY-UHFFFAOYSA-N 1 0 323.392 3.742 50 0 biogenic DHAARO CC(=O)N1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000000214749 563446810 /nfs/dbraw/zinc/44/68/10/563446810.db2.gz HKYLOUGVTGSBTD-OAQYLSRUSA-N 1 0 322.452 3.571 50 0 DHAARO Fc1cccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000003683561 563449761 /nfs/dbraw/zinc/44/97/61/563449761.db2.gz AGKWBTBGGXNSAK-UHFFFAOYSA-N 1 0 312.432 3.622 50 0 DHAARO COc1cc2[nH+]c(N3CCC(C)CC3)cc(C)c2c(OC)c1 ZINC000005006095 563450546 /nfs/dbraw/zinc/45/05/46/563450546.db2.gz IQQKHVGJXOYDKH-UHFFFAOYSA-N 1 0 300.402 3.797 50 0 DHAARO C[C@H](C[NH2+]Cc1cccc(Cl)c1Cl)Oc1ccccn1 ZINC000035287334 563452508 /nfs/dbraw/zinc/45/25/08/563452508.db2.gz QLIXCNJLFQTWCT-LLVKDONJSA-N 1 0 311.212 3.946 50 0 DHAARO C[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)Oc1ccccn1 ZINC000035287329 563452569 /nfs/dbraw/zinc/45/25/69/563452569.db2.gz GDOPUQCTURWFRZ-NSHDSACASA-N 1 0 311.212 3.946 50 0 DHAARO C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000037020896 563457936 /nfs/dbraw/zinc/45/79/36/563457936.db2.gz BHJSUOSPYWNLPB-ZYHUDNBSSA-N 1 0 308.834 3.669 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)[nH]1 ZINC000055109199 563472002 /nfs/dbraw/zinc/47/20/02/563472002.db2.gz CVWDHFNUGNRUIF-AWEZNQCLSA-N 1 0 319.399 3.841 50 0 DHAARO CCn1ncnc1CN(C)[C@H](CCC(C)C)c1ccccc1 ZINC000055254794 563472944 /nfs/dbraw/zinc/47/29/44/563472944.db2.gz IKDOJXJOLDWWSU-QGZVFWFLSA-N 1 0 300.450 3.907 50 0 DHAARO CCC[N@H+](Cc1ccc(OC)nc1)Cc1ccccc1OC ZINC000055212167 563473063 /nfs/dbraw/zinc/47/30/63/563473063.db2.gz RUGTVHYIYLJITR-UHFFFAOYSA-N 1 0 300.402 3.511 50 0 DHAARO CC(C)C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccccn1 ZINC000095422978 563477210 /nfs/dbraw/zinc/47/72/10/563477210.db2.gz PWHSZVALJYDNOB-NVXWUHKLSA-N 1 0 304.459 3.728 50 0 DHAARO O=C(C[NH+]1CCC(CCc2ccccc2)CC1)Nc1ccccc1 ZINC000011154983 563477923 /nfs/dbraw/zinc/47/79/23/563477923.db2.gz ILYKZTIPQMFBKX-UHFFFAOYSA-N 1 0 322.452 3.970 50 0 DHAARO O[C@H](C[C@H]1CCCCCN1Cc1cscn1)c1ccco1 ZINC000096468678 563483530 /nfs/dbraw/zinc/48/35/30/563483530.db2.gz HFGVCZNETUBZOA-HUUCEWRRSA-N 1 0 306.431 3.604 50 0 DHAARO Cc1nc(C)c(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)s1 ZINC000096486375 563485292 /nfs/dbraw/zinc/48/52/92/563485292.db2.gz ZATPWJOVCLIQBD-ZUZCIYMTSA-N 1 0 308.422 3.501 50 0 DHAARO CC[N@@H+](Cc1cnc(C2CCCCC2)nc1)CC1CCOCC1 ZINC000067540943 563488056 /nfs/dbraw/zinc/48/80/56/563488056.db2.gz RGHSHRGITUVMKZ-UHFFFAOYSA-N 1 0 317.477 3.773 50 0 DHAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000067643001 563488894 /nfs/dbraw/zinc/48/88/94/563488894.db2.gz RPEPPMNQSJGCDN-CQSZACIVSA-N 1 0 314.429 3.551 50 0 DHAARO Cc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)CC2)cc1Cl ZINC000067772334 563490383 /nfs/dbraw/zinc/49/03/83/563490383.db2.gz LJDFDOGTQYBOMV-UHFFFAOYSA-N 1 0 320.864 3.644 50 0 DHAARO CC(=O)Oc1c(C)cc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1C ZINC000067771008 563490471 /nfs/dbraw/zinc/49/04/71/563490471.db2.gz KQINZVLBTPNRDK-OAHLLOKOSA-N 1 0 312.413 3.817 50 0 DHAARO CC(C)Oc1ccccc1-c1ccc(CN2CC[NH2+]CC2)cc1 ZINC000067773813 563490594 /nfs/dbraw/zinc/49/05/94/563490594.db2.gz YZSCYGWQKBODHZ-UHFFFAOYSA-N 1 0 310.441 3.546 50 0 DHAARO Cc1cc(C)c(C(=O)NCC2CC[NH+](CC(C)C)CC2)c(C)c1 ZINC000067965502 563493984 /nfs/dbraw/zinc/49/39/84/563493984.db2.gz WJEADOWHWYPEQN-UHFFFAOYSA-N 1 0 316.489 3.710 50 0 DHAARO CC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000071385463 563499001 /nfs/dbraw/zinc/49/90/01/563499001.db2.gz JJHKAKGWSYMJAV-SFHVURJKSA-N 1 0 302.462 3.603 50 0 DHAARO Fc1ccc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000072408623 563503292 /nfs/dbraw/zinc/50/32/92/563503292.db2.gz KJVZXSNCRUPDHD-OAQYLSRUSA-N 1 0 324.443 3.501 50 0 DHAARO COc1ccccc1-c1nnc(C[NH2+][C@H]2CCCCC2(C)C)o1 ZINC000097099910 563506009 /nfs/dbraw/zinc/50/60/09/563506009.db2.gz MLPHRDIDRQXACK-HNNXBMFYSA-N 1 0 315.417 3.804 50 0 DHAARO COc1ccc(Cl)c2c(=O)c(C[NH+]3CCCC3)c(C)[nH]c12 ZINC000008717391 563523282 /nfs/dbraw/zinc/52/32/82/563523282.db2.gz RLQWBSUNPXQHJD-UHFFFAOYSA-N 1 0 306.793 3.507 50 0 DHAARO C/C=C\c1ccc(OCCOCC[NH2+]C2CCCC2)c(OC)c1 ZINC000033349997 563524885 /nfs/dbraw/zinc/52/48/85/563524885.db2.gz DGIJXXIRCQKQTN-UTCJRWHESA-N 1 0 319.445 3.656 50 0 DHAARO C[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000158013382 563524888 /nfs/dbraw/zinc/52/48/88/563524888.db2.gz OWVVFDKUZXHOPO-MNOVXSKESA-N 1 0 322.321 3.722 50 0 DHAARO C[C@@H](c1ccc(-c2cnc3cccnn32)cc1)[NH+]1CCCCC1 ZINC000096130413 563533403 /nfs/dbraw/zinc/53/34/03/563533403.db2.gz AEOYWYICVREAFU-HNNXBMFYSA-N 1 0 306.413 3.943 50 0 DHAARO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000247735633 563538127 /nfs/dbraw/zinc/53/81/27/563538127.db2.gz KQJHYRJEUXJJMC-ZBFHGGJFSA-N 1 0 323.483 3.524 50 0 DHAARO COCC[C@H]1C[N@H+](Cc2ccccc2-c2ccccc2)CCO1 ZINC000097594713 563540542 /nfs/dbraw/zinc/54/05/42/563540542.db2.gz PRVRYSLTUUYZOX-IBGZPJMESA-N 1 0 311.425 3.591 50 0 DHAARO CCNC(=O)c1ccc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)nc1 ZINC000097654106 563541199 /nfs/dbraw/zinc/54/11/99/563541199.db2.gz ASOMQDZEMJHERH-OAHLLOKOSA-N 1 0 323.440 3.655 50 0 DHAARO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000097757868 563542685 /nfs/dbraw/zinc/54/26/85/563542685.db2.gz BUTXOXVVIDDAJH-ZDUSSCGKSA-N 1 0 319.342 3.827 50 0 DHAARO CCn1cc(C[NH2+]Cc2nc3ccccc3[nH]2)c2ccccc21 ZINC000113397909 563581547 /nfs/dbraw/zinc/58/15/47/563581547.db2.gz KRCJSNWEGKLFDE-UHFFFAOYSA-N 1 0 304.397 3.827 50 0 DHAARO CC(C)[C@H]1CN(Cc2ccccc2)[C@@]2(C)c3ccccc3C(=O)N12 ZINC000033704902 563596327 /nfs/dbraw/zinc/59/63/27/563596327.db2.gz VYARWIQLNHRAML-TZIWHRDSSA-N 1 0 320.436 3.856 50 0 DHAARO Cc1nccn1CCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000124825309 563601099 /nfs/dbraw/zinc/60/10/99/563601099.db2.gz DHRUOJQYDIZVPO-UHFFFAOYSA-N 1 0 311.351 3.732 50 0 DHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CCCNc2ccccc21 ZINC000225575539 563603365 /nfs/dbraw/zinc/60/33/65/563603365.db2.gz UTOWXQLRNWTZFN-COXVUDFISA-N 1 0 300.402 3.628 50 0 DHAARO O=C(c1ccoc1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069414583 563615773 /nfs/dbraw/zinc/61/57/73/563615773.db2.gz YTUUAGUYVVANQS-OALUTQOASA-N 1 0 324.424 3.549 50 0 DHAARO Cc1c(-c2ccccc2)[n+](=O)c(-c2ccc(F)cc2)c(C)n1O ZINC000136553648 563622999 /nfs/dbraw/zinc/62/29/99/563622999.db2.gz QQXKKGKROMCLBT-UHFFFAOYSA-N 1 0 311.336 3.730 50 0 DHAARO OCC[N@H+](Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC000000278249 563629153 /nfs/dbraw/zinc/62/91/53/563629153.db2.gz GWUZQIJVTPWLKW-UHFFFAOYSA-N 1 0 309.331 3.700 50 0 DHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000005747516 563675983 /nfs/dbraw/zinc/67/59/83/563675983.db2.gz AVCYXRKRGKMSCJ-HKUYNNGSSA-N 1 0 324.399 3.582 50 0 DHAARO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000105934253 563677511 /nfs/dbraw/zinc/67/75/11/563677511.db2.gz GJZFCXFLSIUPBM-HZPDHXFCSA-N 1 0 314.473 3.617 50 0 DHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1oc2c(cccc2Cl)c1C ZINC000044571138 563684429 /nfs/dbraw/zinc/68/44/29/563684429.db2.gz XXLDMNFKSSJKEB-LBPRGKRZSA-N 1 0 320.820 3.609 50 0 DHAARO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C)s2)c1 ZINC000044973839 563687576 /nfs/dbraw/zinc/68/75/76/563687576.db2.gz HWDASWDMHXFJAK-UHFFFAOYSA-N 1 0 313.426 3.745 50 0 DHAARO CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000047827922 563692512 /nfs/dbraw/zinc/69/25/12/563692512.db2.gz LHQXAAFSTVMNEA-CQSZACIVSA-N 1 0 324.424 3.821 50 0 DHAARO Cc1oc(-c2cccs2)nc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000048235376 563694139 /nfs/dbraw/zinc/69/41/39/563694139.db2.gz FMNARGRYNBPQND-CYBMUJFWSA-N 1 0 318.442 3.712 50 0 DHAARO CS[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000048226855 563694152 /nfs/dbraw/zinc/69/41/52/563694152.db2.gz HIKANEAPRBBLDM-ZIAGYGMSSA-N 1 0 306.475 3.609 50 0 DHAARO CCN(C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000048286886 563694997 /nfs/dbraw/zinc/69/49/97/563694997.db2.gz SMSPZZLTZYZTNL-FQEVSTJZSA-N 1 0 322.452 3.747 50 0 DHAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccccc2Cl)c1 ZINC000048299492 563695603 /nfs/dbraw/zinc/69/56/03/563695603.db2.gz JNWQLZRIJJIEMC-UHFFFAOYSA-N 1 0 316.832 3.722 50 0 DHAARO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000048374094 563698219 /nfs/dbraw/zinc/69/82/19/563698219.db2.gz HKEXSRJQMGAAOF-DLBZAZTESA-N 1 0 310.441 3.659 50 0 DHAARO CCCCCC(=O)Nc1ccc2c(ccn2CC[NH+](C)C)c1 ZINC000051433614 563703595 /nfs/dbraw/zinc/70/35/95/563703595.db2.gz GJNKVALASJSLSF-UHFFFAOYSA-N 1 0 301.434 3.722 50 0 DHAARO CCOc1cc(C)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1C(C)C ZINC000215232310 563704345 /nfs/dbraw/zinc/70/43/45/563704345.db2.gz HNEOOTVNGMHBQL-HDICACEKSA-N 1 0 316.489 3.511 50 0 DHAARO Cc1c2cc(C)ccc2oc1C[N@@H+](C)[C@@H](C)Cc1cnccn1 ZINC000215340602 563705237 /nfs/dbraw/zinc/70/52/37/563705237.db2.gz BOORDPFJEMMNMU-AWEZNQCLSA-N 1 0 309.413 3.903 50 0 DHAARO COCCC[C@@H]1CCCCN1Cc1c(F)cc(F)cc1F ZINC000215462950 563705431 /nfs/dbraw/zinc/70/54/31/563705431.db2.gz NWGVFILNNDBZSW-ZDUSSCGKSA-N 1 0 301.352 3.885 50 0 DHAARO Cc1cncnc1C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000215314895 563705804 /nfs/dbraw/zinc/70/58/04/563705804.db2.gz HBWMXUFDIMKAPV-UHFFFAOYSA-N 1 0 306.413 3.646 50 0 DHAARO Cc1cc(-n2cccn2)ccc1C[N@H+](C)CCC[C@H]1CCCO1 ZINC000215291371 563705849 /nfs/dbraw/zinc/70/58/49/563705849.db2.gz AIKNTMZMTJRKBV-IBGZPJMESA-N 1 0 313.445 3.572 50 0 DHAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000025356082 563726593 /nfs/dbraw/zinc/72/65/93/563726593.db2.gz YJYNCVFVEHLGNN-HNNXBMFYSA-N 1 0 307.397 3.732 50 0 DHAARO Cc1cccc(-c2cccc(C(=O)N(C)C[C@@H]3CCC[NH2+]C3)c2)c1 ZINC000223870710 563737183 /nfs/dbraw/zinc/73/71/83/563737183.db2.gz KBPBDJCBMYKLIU-QGZVFWFLSA-N 1 0 322.452 3.734 50 0 DHAARO C[C@H]1SCCN(Cc2cnc(Cl)cn2)[C@@H]1c1ccccc1 ZINC000225574000 563759250 /nfs/dbraw/zinc/75/92/50/563759250.db2.gz VWRDNWUQGFJJIE-WBMJQRKESA-N 1 0 319.861 3.809 50 0 DHAARO CC[C@H](C(=O)N1CCC[C@@H](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000225802401 563764000 /nfs/dbraw/zinc/76/40/00/563764000.db2.gz FNQHQBXDKHTKCX-SJLPKXTDSA-N 1 0 302.462 3.546 50 0 DHAARO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897261 563776397 /nfs/dbraw/zinc/77/63/97/563776397.db2.gz IRPLYMXOSLDCKE-AFYVEPGGSA-N 1 0 321.468 3.928 50 0 DHAARO CCc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000241383567 563777466 /nfs/dbraw/zinc/77/74/66/563777466.db2.gz MWFZTPAVPAYYIA-AWEZNQCLSA-N 1 0 308.425 3.985 50 0 DHAARO C[N@H+](CCCc1cccnc1)Cc1cc(-c2cccs2)n[nH]1 ZINC000244719236 563778981 /nfs/dbraw/zinc/77/89/81/563778981.db2.gz LZIPUNOZEOPGBS-UHFFFAOYSA-N 1 0 312.442 3.598 50 0 DHAARO Cc1cccc(-c2ccccc2C(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000244633251 563779159 /nfs/dbraw/zinc/77/91/59/563779159.db2.gz FZTNTFWENFLTJR-SFHVURJKSA-N 1 0 322.452 3.924 50 0 DHAARO c1ccc2[nH]c([C@@H]3CCC[N@H+](C4CCSCC4)C3)nc2c1 ZINC000244874583 563779934 /nfs/dbraw/zinc/77/99/34/563779934.db2.gz XDQRLZSXTPBMNR-CYBMUJFWSA-N 1 0 301.459 3.638 50 0 DHAARO OCCCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000247792231 563782286 /nfs/dbraw/zinc/78/22/86/563782286.db2.gz OUWUQQZPVCLTEF-UHFFFAOYSA-N 1 0 322.452 3.942 50 0 DHAARO Cc1ccc(C(=O)[C@H]2C[NH+](C)C[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000052525323 563788726 /nfs/dbraw/zinc/78/87/26/563788726.db2.gz DHOWIUDKAWCXFP-OALUTQOASA-N 1 0 321.420 3.547 50 0 DHAARO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035047783 563795994 /nfs/dbraw/zinc/79/59/94/563795994.db2.gz NMZGDAGBEYLRLH-SNVBAGLBSA-N 1 0 323.223 3.943 50 0 DHAARO CC[NH+](CC)CCOC(=O)[C@H](c1cccs1)[C@H]1C=CCC1 ZINC000002039598 563798347 /nfs/dbraw/zinc/79/83/47/563798347.db2.gz PAQHBGYZMGCRMG-HOCLYGCPSA-N 1 0 307.459 3.683 50 0 DHAARO COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@H]1CCCCO1 ZINC000299778263 563805534 /nfs/dbraw/zinc/80/55/34/563805534.db2.gz IRGXRMGGZYEQGR-QGZVFWFLSA-N 1 0 319.445 3.675 50 0 DHAARO [NH3+]Cc1ccc(C(=O)N(CCc2ccccc2)C2CCCC2)cc1 ZINC000158149407 563811647 /nfs/dbraw/zinc/81/16/47/563811647.db2.gz YZTMQFJYPHSPMB-UHFFFAOYSA-N 1 0 322.452 3.773 50 0 DHAARO O[C@H](C[NH+]1CCCCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000084392949 563826213 /nfs/dbraw/zinc/82/62/13/563826213.db2.gz BURYQIHVYDZXOG-OAHLLOKOSA-N 1 0 317.351 3.885 50 0 DHAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000084622403 563829347 /nfs/dbraw/zinc/82/93/47/563829347.db2.gz ZNACLXOVMHQUSC-HNNXBMFYSA-N 1 0 317.864 3.844 50 0 DHAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)s1 ZINC000097785574 563840035 /nfs/dbraw/zinc/84/00/35/563840035.db2.gz SEEJJRCFRBMEDM-UHFFFAOYSA-N 1 0 312.438 3.542 50 0 DHAARO CCOC(=O)C1([NH+]2CCCC2)c2ccccc2-c2ccccc21 ZINC000075260326 563862237 /nfs/dbraw/zinc/86/22/37/563862237.db2.gz JPBNVLXKYSMRMF-UHFFFAOYSA-N 1 0 307.393 3.570 50 0 DHAARO CC(C)[C@@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)Nc1ccccc1 ZINC000118449294 563869436 /nfs/dbraw/zinc/86/94/36/563869436.db2.gz OWPQJXWAMDZQOM-GOSISDBHSA-N 1 0 314.477 3.864 50 0 DHAARO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720305 563870818 /nfs/dbraw/zinc/87/08/18/563870818.db2.gz WLMRZHOTYMHCHD-FUHWJXTLSA-N 1 0 308.425 3.527 50 0 DHAARO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(Cc2ccccc2)o1 ZINC000241132896 563880328 /nfs/dbraw/zinc/88/03/28/563880328.db2.gz JMYNPIRIZRDSJX-DJIMGWMZSA-N 1 0 311.429 3.813 50 0 DHAARO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)o1 ZINC000245566205 563881986 /nfs/dbraw/zinc/88/19/86/563881986.db2.gz SNPFBPXJLNNIRB-OLMNPRSZSA-N 1 0 319.445 3.563 50 0 DHAARO O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000026817552 563882569 /nfs/dbraw/zinc/88/25/69/563882569.db2.gz MXLNSGUGFGDRLN-UHFFFAOYSA-N 1 0 322.452 3.970 50 0 DHAARO CN(C)c1ccccc1C[NH2+]Cc1cccc(Br)c1 ZINC000075582518 563884957 /nfs/dbraw/zinc/88/49/57/563884957.db2.gz TYHHSBQQBTYBNA-UHFFFAOYSA-N 1 0 319.246 3.805 50 0 DHAARO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000089375150 563885604 /nfs/dbraw/zinc/88/56/04/563885604.db2.gz CSMYIWLVWJTCFC-SJORKVTESA-N 1 0 314.816 3.515 50 0 DHAARO CSc1nnc(CN(C2CC2)[C@@H]2CCc3ccccc32)s1 ZINC000089496661 563887854 /nfs/dbraw/zinc/88/78/54/563887854.db2.gz IBLSBRWYZOBDBE-CQSZACIVSA-N 1 0 317.483 3.912 50 0 DHAARO CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccc(OC)c(OC)c1 ZINC000036096127 563892954 /nfs/dbraw/zinc/89/29/54/563892954.db2.gz POFBJDSJKFGKDT-QGZVFWFLSA-N 1 0 323.477 3.713 50 0 DHAARO COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccccc2)c1 ZINC000036100071 563893877 /nfs/dbraw/zinc/89/38/77/563893877.db2.gz MSPSQIASWHUSMI-HXUWFJFHSA-N 1 0 313.441 3.887 50 0 DHAARO CC(C)CC[N@@H+](Cc1ccsc1)C[C@@H](O)COCC(C)C ZINC000036099605 563893952 /nfs/dbraw/zinc/89/39/52/563893952.db2.gz YRUQNNXKFLLCML-QGZVFWFLSA-N 1 0 313.507 3.630 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000169678025 563895089 /nfs/dbraw/zinc/89/50/89/563895089.db2.gz KVQZSNKFMCHHNE-PKOBYXMFSA-N 1 0 307.478 3.629 50 0 DHAARO CCC[NH+](CCC)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000006937390 563899950 /nfs/dbraw/zinc/89/99/50/563899950.db2.gz KMRCGKPATBIVGO-HKUYNNGSSA-N 1 0 305.462 3.564 50 0 DHAARO CCC[NH+](CCC)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000006937381 563900047 /nfs/dbraw/zinc/90/00/47/563900047.db2.gz KMRCGKPATBIVGO-PKOBYXMFSA-N 1 0 305.462 3.564 50 0 DHAARO CCC[NH2+]Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000007003298 563901202 /nfs/dbraw/zinc/90/12/02/563901202.db2.gz BFMVHWLDFFMUPH-UHFFFAOYSA-N 1 0 306.431 3.717 50 0 DHAARO CC[C@@H](C)[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000007015563 563901233 /nfs/dbraw/zinc/90/12/33/563901233.db2.gz SLEVKNBKEAGVQC-KGLIPLIRSA-N 1 0 313.869 3.900 50 0 DHAARO O[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)c1ccc(Cl)s1 ZINC000192914190 563901330 /nfs/dbraw/zinc/90/13/30/563901330.db2.gz ZHCBFOCLKKRBRN-ZIAGYGMSSA-N 1 0 322.861 3.972 50 0 DHAARO c1[nH]c2ccccc2c1CC[NH2+][C@@H](Cc1ccccn1)C1CC1 ZINC000151326727 563901462 /nfs/dbraw/zinc/90/14/62/563901462.db2.gz XDJKXTKXSZXUNY-FQEVSTJZSA-N 1 0 305.425 3.716 50 0 DHAARO CCCCc1ccc(NC(=S)NC2CC[NH+](CC)CC2)cc1 ZINC000007368728 563905409 /nfs/dbraw/zinc/90/54/09/563905409.db2.gz LXYAIUHADNUYBY-UHFFFAOYSA-N 1 0 319.518 3.800 50 0 DHAARO Fc1cccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000037302748 563908544 /nfs/dbraw/zinc/90/85/44/563908544.db2.gz WXUKSNFPZASATQ-UHFFFAOYSA-N 1 0 307.752 3.540 50 0 DHAARO CCCCc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000007561251 563908739 /nfs/dbraw/zinc/90/87/39/563908739.db2.gz OYXBBJFZVIRYGN-KRWDZBQOSA-N 1 0 319.518 3.800 50 0 DHAARO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccnc2)c(Cl)c1 ZINC000089669703 563910938 /nfs/dbraw/zinc/91/09/38/563910938.db2.gz JJJAVRJQNBIIMB-CYBMUJFWSA-N 1 0 317.820 3.723 50 0 DHAARO O=C(C[N@H+](C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1)N1CCC1 ZINC000089818292 563911474 /nfs/dbraw/zinc/91/14/74/563911474.db2.gz YRVDDIDNXVPRNZ-RBUKOAKNSA-N 1 0 318.505 3.822 50 0 DHAARO OCc1ccccc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000089813984 563911537 /nfs/dbraw/zinc/91/15/37/563911537.db2.gz JKDZLIYHLXSSKF-GOSISDBHSA-N 1 0 309.409 3.715 50 0 DHAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000076056440 563912246 /nfs/dbraw/zinc/91/22/46/563912246.db2.gz AESHEFFZZCIMHS-DCGLDWPTSA-N 1 0 324.415 3.508 50 0 DHAARO C/C=C/c1ccc(OCCOCC[NH2+][C@H](C)CC)c(OC)c1 ZINC000002825484 563913156 /nfs/dbraw/zinc/91/31/56/563913156.db2.gz WESQFUKAPRTHFY-KEDPEKRHSA-N 1 0 307.434 3.512 50 0 DHAARO CCCN(CCC[NH+](C)C)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000252497699 563916172 /nfs/dbraw/zinc/91/61/72/563916172.db2.gz QNKDUGYFZLQTRD-UHFFFAOYSA-N 1 0 321.852 3.625 50 0 DHAARO Cc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)o1 ZINC000007738642 563918496 /nfs/dbraw/zinc/91/84/96/563918496.db2.gz QITUYWPDOJTEPJ-CYBMUJFWSA-N 1 0 309.369 3.573 50 0 DHAARO CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccc(Br)cc1 ZINC000037886425 563930458 /nfs/dbraw/zinc/93/04/58/563930458.db2.gz OMCVDSWLSNYPJR-CQSZACIVSA-N 1 0 308.223 3.722 50 0 DHAARO c1ccc(OCC[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000020601444 563931718 /nfs/dbraw/zinc/93/17/18/563931718.db2.gz ZOJDUPVXWFGDAP-MRXNPFEDSA-N 1 0 321.424 3.821 50 0 DHAARO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000095967051 563932901 /nfs/dbraw/zinc/93/29/01/563932901.db2.gz QMLUMZVJISHTKV-CVEARBPZSA-N 1 0 313.363 3.832 50 0 DHAARO C[C@H](NCc1cscn1)c1cc(Br)ccc1F ZINC000095967550 563933002 /nfs/dbraw/zinc/93/30/02/563933002.db2.gz TWVNOLGKYPNHMK-QMMMGPOBSA-N 1 0 315.211 3.896 50 0 DHAARO CCS[C@H]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000095983583 563933877 /nfs/dbraw/zinc/93/38/77/563933877.db2.gz YFYKQIQQWSWSKV-PMPSAXMXSA-N 1 0 313.894 3.979 50 0 DHAARO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000095991430 563934380 /nfs/dbraw/zinc/93/43/80/563934380.db2.gz FPPSDWMBNHPRFV-DMZKTXOQSA-N 1 0 317.429 3.903 50 0 DHAARO COC[C@@](C)([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000096013791 563934952 /nfs/dbraw/zinc/93/49/52/563934952.db2.gz PWCVXWKETFGQHO-HXUWFJFHSA-N 1 0 321.424 3.524 50 0 DHAARO COc1ccc(O)cc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000096006902 563934954 /nfs/dbraw/zinc/93/49/54/563934954.db2.gz RMWLNTJSFFBVFH-APPDUMDISA-N 1 0 301.361 3.878 50 0 DHAARO C[NH+]1CCC(OC(=O)[C@@H](c2cccs2)[C@H]2C=CCCC2)CC1 ZINC000096028035 563935328 /nfs/dbraw/zinc/93/53/28/563935328.db2.gz TUYPAMBSJBATIZ-WMLDXEAASA-N 1 0 319.470 3.825 50 0 DHAARO C[C@@H](OCCC[NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000096476440 563937210 /nfs/dbraw/zinc/93/72/10/563937210.db2.gz QHTXLTLCMSNBFM-CRAIPNDOSA-N 1 0 313.445 3.555 50 0 DHAARO CS[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000096478663 563937420 /nfs/dbraw/zinc/93/74/20/563937420.db2.gz HQJSCWFTKZSBSR-ROUUACIJSA-N 1 0 304.503 3.525 50 0 DHAARO Cc1cc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)ccc1C(C)C ZINC000002659890 563940273 /nfs/dbraw/zinc/94/02/73/563940273.db2.gz YUQUOARDRCHJKB-IRXDYDNUSA-N 1 0 305.462 3.733 50 0 DHAARO O[C@](CCC[NH+]1CCCCC1)(c1ccccc1)c1ccccn1 ZINC000029557240 563941325 /nfs/dbraw/zinc/94/13/25/563941325.db2.gz AMDGFYHJCHHTOS-HXUWFJFHSA-N 1 0 310.441 3.584 50 0 DHAARO CCc1nn(C)c(CC)c1C[NH2+]CCc1cc2ccccc2o1 ZINC000162836633 563941901 /nfs/dbraw/zinc/94/19/01/563941901.db2.gz GACAZZYSDWITLQ-UHFFFAOYSA-N 1 0 311.429 3.623 50 0 DHAARO C[NH2+][C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004061450 563944923 /nfs/dbraw/zinc/94/49/23/563944923.db2.gz LXUIGQVHABEBDW-JTPNSUKHSA-N 1 0 305.506 3.978 50 0 biogenic DHAARO C[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000008548295 563949042 /nfs/dbraw/zinc/94/90/42/563949042.db2.gz ICHHZXDFTNZSLP-VQIMIIECSA-N 1 0 314.473 3.909 50 0 DHAARO CCn1cncc1C[NH+]1CCC(Sc2cccc(C)c2)CC1 ZINC000670472902 563949760 /nfs/dbraw/zinc/94/97/60/563949760.db2.gz SDMLQKLLPZUVKI-UHFFFAOYSA-N 1 0 315.486 3.968 50 0 DHAARO O=C1OCCN1CCC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000068334012 563951144 /nfs/dbraw/zinc/95/11/44/563951144.db2.gz XCUQEOQUXOWYKB-LJQANCHMSA-N 1 0 324.424 3.819 50 0 DHAARO CCc1ccccc1NC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000069417863 563952750 /nfs/dbraw/zinc/95/27/50/563952750.db2.gz ROVIZUNMWDHGJW-HNAYVOBHSA-N 1 0 317.477 3.881 50 0 DHAARO Cc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H](C)n3cccn3)cs2)o1 ZINC000069921822 563955417 /nfs/dbraw/zinc/95/54/17/563955417.db2.gz OGXNPVGQKCTXQJ-STQMWFEESA-N 1 0 316.430 3.647 50 0 DHAARO O=c1cc(C[NH+]2CCCCC2)c2ccc(Br)cc2o1 ZINC000009595740 563957083 /nfs/dbraw/zinc/95/70/83/563957083.db2.gz RNZICEIGFSHEBC-UHFFFAOYSA-N 1 0 322.202 3.541 50 0 DHAARO Clc1ccccc1OCCSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000009691498 563957374 /nfs/dbraw/zinc/95/73/74/563957374.db2.gz LKQMLYXTQLNVRS-CHWSQXEVSA-N 1 0 310.850 3.722 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1cccs1)c1cccc2ccccc21 ZINC000010330469 563958661 /nfs/dbraw/zinc/95/86/61/563958661.db2.gz YLFLKXBUVZEYNR-QGZVFWFLSA-N 1 0 324.449 3.934 50 0 DHAARO COc1ccccc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000071831366 563959054 /nfs/dbraw/zinc/95/90/54/563959054.db2.gz DCMSLASSYNIYTB-OAHLLOKOSA-N 1 0 324.424 3.673 50 0 DHAARO Cc1nc(N)nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)c1Cl ZINC000426387148 563960544 /nfs/dbraw/zinc/96/05/44/563960544.db2.gz VNWFYPDLYRMCRJ-LBPRGKRZSA-N 1 0 316.836 3.844 50 0 DHAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000078553177 563961138 /nfs/dbraw/zinc/96/11/38/563961138.db2.gz ZFLLQRUSPLRTHV-CYBMUJFWSA-N 1 0 301.434 3.675 50 0 DHAARO Cc1ccc(-c2nc(CC[NH2+]Cc3cccc(O)c3)co2)cc1 ZINC000078552480 563961203 /nfs/dbraw/zinc/96/12/03/563961203.db2.gz WSADPHRDNRKFFQ-UHFFFAOYSA-N 1 0 308.381 3.688 50 0 DHAARO COc1ccc(-c2nc(CC[NH2+]Cc3ccc(C)o3)co2)cc1 ZINC000078552601 563961226 /nfs/dbraw/zinc/96/12/26/563961226.db2.gz QDVMCYPMKCKGOU-UHFFFAOYSA-N 1 0 312.369 3.584 50 0 DHAARO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC ZINC000002738791 568414168 /nfs/dbraw/zinc/41/41/68/568414168.db2.gz SSUFBOOHILVGKZ-UHFFFAOYSA-N 1 0 303.377 3.565 50 0 DHAARO Cc1ccc(C)c2c(N)c3c([nH+]c12)N(Cc1ccccc1)CC3 ZINC000000980175 1013426940 /nfs/dbraw/zinc/42/69/40/1013426940.db2.gz PGYUCISHJLHTJZ-UHFFFAOYSA-N 1 0 303.409 3.997 50 0 DHAARO C[NH+]1CCN(c2ccc(-c3ccc4ccccc4n3)cc2)CC1 ZINC000004051039 1013438092 /nfs/dbraw/zinc/43/80/92/1013438092.db2.gz NFZVJHWAJYJGOY-UHFFFAOYSA-N 1 0 303.409 3.654 50 0 DHAARO CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000072307017 1013719399 /nfs/dbraw/zinc/71/93/99/1013719399.db2.gz NIGGZDINOBZLBW-OAHLLOKOSA-N 1 0 320.502 3.996 50 0 DHAARO CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000022147072 1013882155 /nfs/dbraw/zinc/88/21/55/1013882155.db2.gz FCQATVDOPYYSFE-INIZCTEOSA-N 1 0 307.478 3.793 50 0 DHAARO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000078966632 1014242356 /nfs/dbraw/zinc/24/23/56/1014242356.db2.gz VTEJOMZVGODZSE-CQSZACIVSA-N 1 0 310.441 3.934 50 0 DHAARO CC[N@H+](Cc1nc(-c2cccs2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289803140 1014463691 /nfs/dbraw/zinc/46/36/91/1014463691.db2.gz NCEGUIXDQJYNCU-LBPRGKRZSA-N 1 0 321.446 3.578 50 0 DHAARO C[C@@](O)(C[NH2+]Cc1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000185110291 1016578458 /nfs/dbraw/zinc/57/84/58/1016578458.db2.gz NDZFVXIKXRNWCF-GOSISDBHSA-N 1 0 314.816 3.819 50 0 DHAARO Cc1ccc([C@H](C)CC[NH2+]Cc2ccc3nsnc3c2)o1 ZINC000952861017 1032666097 /nfs/dbraw/zinc/66/60/97/1032666097.db2.gz BKRVKOOJEWLWIT-LLVKDONJSA-N 1 0 301.415 3.876 50 0 DHAARO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000952985441 1032681647 /nfs/dbraw/zinc/68/16/47/1032681647.db2.gz SQLDPJKZWHTILV-INIZCTEOSA-N 1 0 319.408 3.658 50 0 DHAARO CCCOc1ccc(NC(=O)C[N@H+](C)C2CCCC2)cc1Cl ZINC000952985922 1032682794 /nfs/dbraw/zinc/68/27/94/1032682794.db2.gz CNHXXBMXUHRYHX-UHFFFAOYSA-N 1 0 324.852 3.942 50 0 DHAARO C[N@H+](Cc1cnn2cccnc12)C[C@]1(c2ccccc2)CC1(C)C ZINC000952984433 1032683310 /nfs/dbraw/zinc/68/33/10/1032683310.db2.gz LBTZLKLPPXORAN-FQEVSTJZSA-N 1 0 320.440 3.529 50 0 DHAARO c1coc(CN2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)c1 ZINC000952988314 1032685241 /nfs/dbraw/zinc/68/52/41/1032685241.db2.gz LBSJRMSOGXQWEF-HXUWFJFHSA-N 1 0 310.441 3.911 50 0 DHAARO COc1cncc(/C=C/CC[N@@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000568388760 1020304880 /nfs/dbraw/zinc/30/48/80/1020304880.db2.gz ROONRGPMNPCZRO-ZVVFDCPKSA-N 1 0 313.401 3.627 50 0 DHAARO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(Cl)o3)C2)c1OC ZINC000824521390 1020573932 /nfs/dbraw/zinc/57/39/32/1020573932.db2.gz SZVCRXFOQJTYED-GFCCVEGCSA-N 1 0 321.804 3.940 50 0 DHAARO COc1ccc(C[N@H+](C)[C@H](C)Cc2cc(C)ccn2)cc1F ZINC000824721388 1020581523 /nfs/dbraw/zinc/58/15/23/1020581523.db2.gz NKSPOUFEECICNE-CQSZACIVSA-N 1 0 302.393 3.601 50 0 DHAARO COc1ncc(C[N@H+](Cc2ccc(C)s2)C2CCCC2)cn1 ZINC000824852120 1020598210 /nfs/dbraw/zinc/59/82/10/1020598210.db2.gz WLIILLLBYPLOQG-UHFFFAOYSA-N 1 0 317.458 3.800 50 0 DHAARO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(N2CCOC2=O)cc1 ZINC000177726846 1020772947 /nfs/dbraw/zinc/77/29/47/1020772947.db2.gz JZHGVBYWJJGVGY-CYBMUJFWSA-N 1 0 316.426 3.598 50 0 DHAARO O=C(Nc1ccccc1F)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581787752 1021834818 /nfs/dbraw/zinc/83/48/18/1021834818.db2.gz BGMBICQNOIEGSZ-HNNXBMFYSA-N 1 0 319.424 3.556 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000581805819 1021845804 /nfs/dbraw/zinc/84/58/04/1021845804.db2.gz GGRKSIFVSHJKDU-GOSISDBHSA-N 1 0 323.440 3.855 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000581805510 1021848434 /nfs/dbraw/zinc/84/84/34/1021848434.db2.gz AYVZHVXTGYNXDJ-CQSZACIVSA-N 1 0 315.442 3.608 50 0 DHAARO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1nc(C)ccc1O ZINC000103343265 1022499431 /nfs/dbraw/zinc/49/94/31/1022499431.db2.gz FBABELBPRRMXRP-CQSZACIVSA-N 1 0 300.402 3.800 50 0 DHAARO Cc1ccc(C[NH+]2CCC(CCc3noc(C)n3)CC2)s1 ZINC000675019669 1022750103 /nfs/dbraw/zinc/75/01/03/1022750103.db2.gz OZQWLHIUZDPIJY-UHFFFAOYSA-N 1 0 305.447 3.593 50 0 DHAARO [NH3+]C[C@@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1 ZINC000299797650 1023305609 /nfs/dbraw/zinc/30/56/09/1023305609.db2.gz NQDCTTIQSLUWFF-AWEZNQCLSA-N 1 0 309.287 3.514 50 0 DHAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccs1 ZINC000027143580 1023454930 /nfs/dbraw/zinc/45/49/30/1023454930.db2.gz NHWNFYHJSBZQGS-UHFFFAOYSA-N 1 0 300.427 3.986 50 0 DHAARO COc1ccc(-c2cccc(-c3ccn(CC[NH+](C)C)n3)c2)cc1 ZINC000200490762 1023709020 /nfs/dbraw/zinc/70/90/20/1023709020.db2.gz RXCJEOUSJRAEGX-UHFFFAOYSA-N 1 0 321.424 3.787 50 0 DHAARO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)[C@@H]1C[C@H]1c1cccs1 ZINC000841753466 1027208811 /nfs/dbraw/zinc/20/88/11/1027208811.db2.gz CWBNMOJKOTVFJJ-UZMCECQYSA-N 1 0 307.484 3.799 50 0 DHAARO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@@H]1C[C@H]1c1cccs1 ZINC000841753464 1027208924 /nfs/dbraw/zinc/20/89/24/1027208924.db2.gz CWBNMOJKOTVFJJ-UJDVCPFMSA-N 1 0 307.484 3.799 50 0 DHAARO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1cccnc1 ZINC000158557236 1027572785 /nfs/dbraw/zinc/57/27/85/1027572785.db2.gz ONNZPZYNTRJBPK-PCVOSPCESA-N 1 0 321.424 3.565 50 0 DHAARO COc1cccc([C@H](O)C[N@@H+]2Cc3ccccc3C3(CCC3)C2)c1 ZINC000585081736 1029623196 /nfs/dbraw/zinc/62/31/96/1029623196.db2.gz RBOLDWLQLZEQSW-HXUWFJFHSA-N 1 0 323.436 3.666 50 0 DHAARO Cc1cc(F)ccc1-c1ccc(CN2CC[C@H]([NH+](C)C)C2)o1 ZINC000585084572 1029665863 /nfs/dbraw/zinc/66/58/63/1029665863.db2.gz BBPOUVFZZBLGDP-HNNXBMFYSA-N 1 0 302.393 3.530 50 0 DHAARO CN(C)c1ncc(CSC2CCOCC2)c2ccccc21 ZINC000585138111 1029825983 /nfs/dbraw/zinc/82/59/83/1029825983.db2.gz OPQVVRKSXKIGGA-UHFFFAOYSA-N 1 0 302.443 3.713 50 0 DHAARO COc1ccc([C@H]2CC[N@H+](Cc3cc(C(C)(C)C)on3)C2)cc1 ZINC000809939896 1034147860 /nfs/dbraw/zinc/14/78/60/1034147860.db2.gz YUKGBNRTNCIMLO-HNNXBMFYSA-N 1 0 314.429 3.970 50 0 DHAARO Cc1ccccc1C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)C1CC1 ZINC000793527139 1035145499 /nfs/dbraw/zinc/14/54/99/1035145499.db2.gz UAPWJBUWUUGXNU-IBGZPJMESA-N 1 0 323.440 3.597 50 0 DHAARO FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000084504679 1035328945 /nfs/dbraw/zinc/32/89/45/1035328945.db2.gz YDCZYQXIIKZQCL-ZDUSSCGKSA-N 1 0 309.335 3.808 50 0 DHAARO COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1O ZINC000000201340 1036746682 /nfs/dbraw/zinc/74/66/82/1036746682.db2.gz JNMQABYLOAKRSJ-UHFFFAOYSA-N 1 0 311.425 3.856 50 0 DHAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](O)C3)ccc21 ZINC000002490681 1037162710 /nfs/dbraw/zinc/16/27/10/1037162710.db2.gz FNDKJWBXYGZEKO-INIZCTEOSA-N 1 0 308.425 3.771 50 0 DHAARO CC(C)Oc1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1N ZINC000095495922 185374148 /nfs/dbraw/zinc/37/41/48/185374148.db2.gz BGOKSBYBLOVYNM-UHFFFAOYSA-N 1 0 317.477 3.511 50 0 DHAARO Cc1cccc(Cl)c1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000095528411 185378556 /nfs/dbraw/zinc/37/85/56/185378556.db2.gz PWQFZYIYLZJXHQ-UHFFFAOYSA-N 1 0 323.868 3.987 50 0 DHAARO CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000079029632 185147635 /nfs/dbraw/zinc/14/76/35/185147635.db2.gz YVILFDXRBRCRHL-FQEVSTJZSA-N 1 0 309.457 3.787 50 0 DHAARO Cc1cccc(C[N@@H+]2CCC[C@H](c3nccn3CC3CC3)C2)c1 ZINC000082166821 185174461 /nfs/dbraw/zinc/17/44/61/185174461.db2.gz LQMTXLVGXQZTLJ-IBGZPJMESA-N 1 0 309.457 3.981 50 0 DHAARO Fc1ccc2c(c1)[nH]cc2C1CC[NH+](CC2=CCCOC2)CC1 ZINC000092668494 185332389 /nfs/dbraw/zinc/33/23/89/185332389.db2.gz YMSLSWBOTKMMBN-UHFFFAOYSA-N 1 0 314.404 3.833 50 0 DHAARO CC[C@@H](C)[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000007015570 190627499 /nfs/dbraw/zinc/62/74/99/190627499.db2.gz SLEVKNBKEAGVQC-ZIAGYGMSSA-N 1 0 313.869 3.900 50 0 DHAARO Cc1cc2cccc(C(=O)N3CCC([C@@H](C)[NH+](C)C)CC3)c2o1 ZINC000082121253 192358758 /nfs/dbraw/zinc/35/87/58/192358758.db2.gz VZIQILUPSVYWQW-CQSZACIVSA-N 1 0 314.429 3.544 50 0 DHAARO Cc1c2ccccc2oc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082147714 192362074 /nfs/dbraw/zinc/36/20/74/192362074.db2.gz YXTWPDSNBHMPDU-HNNXBMFYSA-N 1 0 315.413 3.559 50 0 DHAARO Cc1ccc(C[NH2+]Cc2ccsc2)c(O[C@@H]2CCOC2)c1 ZINC000095412299 185357630 /nfs/dbraw/zinc/35/76/30/185357630.db2.gz YBUFOFFUMRREDS-MRXNPFEDSA-N 1 0 303.427 3.514 50 0 DHAARO Cc1csc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000095413242 185357959 /nfs/dbraw/zinc/35/79/59/185357959.db2.gz PDCDDWPMQCJPNE-GJZGRUSLSA-N 1 0 320.458 3.913 50 0 DHAARO Cc1c([C@@H](C)[NH2+]CCc2ccccn2)cnn1-c1ccc(F)cc1 ZINC000095419169 185359876 /nfs/dbraw/zinc/35/98/76/185359876.db2.gz YDQHERKJRIYOAH-CQSZACIVSA-N 1 0 324.403 3.608 50 0 DHAARO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000095419763 185360209 /nfs/dbraw/zinc/36/02/09/185360209.db2.gz FJHXGVKFBKPZKY-AWEZNQCLSA-N 1 0 312.442 3.547 50 0 DHAARO CCCC[C@@H](CC)CC[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000095445332 185367330 /nfs/dbraw/zinc/36/73/30/185367330.db2.gz KUMXUKUEQLTAQY-SJORKVTESA-N 1 0 304.482 3.642 50 0 DHAARO CC[C@@H]1CCC[N@H+](C[C@@H]2CO[C@H](c3ccc(Cl)cc3)O2)C1 ZINC000095448091 185368203 /nfs/dbraw/zinc/36/82/03/185368203.db2.gz FDFYOMATIOQVAJ-XYPHTWIQSA-N 1 0 309.837 3.876 50 0 DHAARO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000097014462 185397233 /nfs/dbraw/zinc/39/72/33/185397233.db2.gz BRSSXUUEBBKWCU-VXGBXAGGSA-N 1 0 324.387 3.564 50 0 DHAARO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ncc(C)s2)cc1OC ZINC000097017226 185397474 /nfs/dbraw/zinc/39/74/74/185397474.db2.gz YCFROBBDZUUCHR-WCQYABFASA-N 1 0 320.458 3.751 50 0 DHAARO CNc1nc(NCc2ccc3[nH]c(C)c(C)c3c2)[nH+]c2c1CCC2 ZINC000071763600 191028089 /nfs/dbraw/zinc/02/80/89/191028089.db2.gz GISSDWOWALNUBQ-UHFFFAOYSA-N 1 0 321.428 3.717 50 0 DHAARO Cc1cccc(C[C@@H](O)C[N@H+](Cc2ccccc2)C(C)(C)C)n1 ZINC000071767425 191029221 /nfs/dbraw/zinc/02/92/21/191029221.db2.gz CQGFJAOXVRQIFH-LJQANCHMSA-N 1 0 312.457 3.594 50 0 DHAARO COc1ccc([C@@H](O)[C@@H]2CCCC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000071769983 191029950 /nfs/dbraw/zinc/02/99/50/191029950.db2.gz GWMOZBYKFUIADH-CEXWTWQISA-N 1 0 303.446 3.773 50 0 DHAARO Cc1nc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)co1 ZINC000072121936 191039764 /nfs/dbraw/zinc/03/97/64/191039764.db2.gz UNKMZAOOSSJFFL-QGZVFWFLSA-N 1 0 300.402 3.676 50 0 DHAARO c1nc(-c2ccccc2)sc1C[NH+]1CC(c2cccnc2)C1 ZINC000072143006 191049408 /nfs/dbraw/zinc/04/94/08/191049408.db2.gz PPSMIBXVLAPNLN-UHFFFAOYSA-N 1 0 307.422 3.805 50 0 DHAARO Fc1ccccc1OC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000072147808 191052495 /nfs/dbraw/zinc/05/24/95/191052495.db2.gz XSAZSLWNVFQAKC-MRXNPFEDSA-N 1 0 300.377 3.512 50 0 DHAARO c1cn(-c2cccc(C[NH+]3CCCC3)c2)c(-c2ccncc2)n1 ZINC000072150393 191056501 /nfs/dbraw/zinc/05/65/01/191056501.db2.gz LYOJIXPMTVHTNL-UHFFFAOYSA-N 1 0 304.397 3.530 50 0 DHAARO Clc1ccc(C[NH+]2CCC(OCc3cccnc3)CC2)s1 ZINC000072161152 191061824 /nfs/dbraw/zinc/06/18/24/191061824.db2.gz GOHFWOKGXKAIAI-UHFFFAOYSA-N 1 0 322.861 3.978 50 0 DHAARO O=C(CCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000072411932 191155490 /nfs/dbraw/zinc/15/54/90/191155490.db2.gz SOAYATPGMFHHFX-LJQANCHMSA-N 1 0 323.436 3.806 50 0 DHAARO Cc1cccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000000307344 180754418 /nfs/dbraw/zinc/75/44/18/180754418.db2.gz LFXAEWRPNJDFKB-UHFFFAOYSA-N 1 0 319.518 3.899 50 0 DHAARO Cc1ccccc1N1C[C@](O)(c2ccccc2)[N+]2=C1CCCCC2 ZINC000002974630 180973470 /nfs/dbraw/zinc/97/34/70/180973470.db2.gz ODAHCXRWMZFEPH-NRFANRHFSA-N 1 0 321.444 3.645 50 0 DHAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1ccc(Cl)cc1Cl ZINC000003314859 181003457 /nfs/dbraw/zinc/00/34/57/181003457.db2.gz CRWRAGHIALXDSJ-SNVBAGLBSA-N 1 0 304.217 3.881 50 0 DHAARO CCOc1ccccc1NC(=O)[C@@H]([NH2+]C(C)C)c1ccccc1 ZINC000003414796 181016866 /nfs/dbraw/zinc/01/68/66/181016866.db2.gz LVGGMEWBHPEMRF-SFHVURJKSA-N 1 0 312.413 3.763 50 0 DHAARO COc1ccc(CC[NH2+]Cc2cn(C)c3ccccc23)cc1OC ZINC000003772342 181045399 /nfs/dbraw/zinc/04/53/99/181045399.db2.gz YURPACHWRLMDTP-UHFFFAOYSA-N 1 0 324.424 3.528 50 0 DHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004028096 181064169 /nfs/dbraw/zinc/06/41/69/181064169.db2.gz DCCMPFQEWVSVEQ-WJFTUGDTSA-N 1 0 313.441 3.598 50 0 biogenic DHAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c2ccccc12 ZINC000004177783 181082802 /nfs/dbraw/zinc/08/28/02/181082802.db2.gz GDDCYANZONIPGV-YJLNNSPDSA-N 1 0 314.473 3.787 50 0 DHAARO CCCCNC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000004680282 181136169 /nfs/dbraw/zinc/13/61/69/181136169.db2.gz IHHFUCNFXHQNHH-UHFFFAOYSA-N 1 0 324.468 3.968 50 0 DHAARO Cc1ccccc1CN1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000004745698 181146727 /nfs/dbraw/zinc/14/67/27/181146727.db2.gz DJMARARVQRPHAU-IAGOWNOFSA-N 1 0 300.490 3.937 50 0 DHAARO [NH2+]=C1N=C2Sc3ccccc3N2[C@@H](c2ccccc2Cl)N1 ZINC000004747293 181147544 /nfs/dbraw/zinc/14/75/44/181147544.db2.gz SAWOCHQAEXFKHE-ZDUSSCGKSA-N 1 0 314.801 3.635 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004833934 181159183 /nfs/dbraw/zinc/15/91/83/181159183.db2.gz OOUWLKQIFUITQD-AAEUAGOBSA-N 1 0 318.244 3.608 50 0 DHAARO COc1ccc2[nH]c(C)c(C(=O)C[N@@H+]3CCCC[C@@H]3C)c2c1 ZINC000005030352 181193092 /nfs/dbraw/zinc/19/30/92/181193092.db2.gz LSTJUJINCBOIHO-LBPRGKRZSA-N 1 0 300.402 3.542 50 0 DHAARO C[NH+](C)CCSc1nc(-c2ccccc2)nc2c1CCCC2 ZINC000005164650 181212501 /nfs/dbraw/zinc/21/25/01/181212501.db2.gz OIOIVQUTUSYVRX-UHFFFAOYSA-N 1 0 313.470 3.676 50 0 DHAARO CCn1cc(NC(=O)NCCC[NH+](CC)CC)c2ccccc21 ZINC000005266022 181224531 /nfs/dbraw/zinc/22/45/31/181224531.db2.gz JIYNUEKHTNZWQD-UHFFFAOYSA-N 1 0 316.449 3.515 50 0 DHAARO C[NH+](C)C1(CNC(=O)c2ccc3ccccc3c2)CCCCC1 ZINC000005336255 181230786 /nfs/dbraw/zinc/23/07/86/181230786.db2.gz MKAJZTVEWIUHGM-UHFFFAOYSA-N 1 0 310.441 3.834 50 0 DHAARO c1cn(CCCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000089857755 192887039 /nfs/dbraw/zinc/88/70/39/192887039.db2.gz SXRBAHOSQLLZNU-QGZVFWFLSA-N 1 0 311.429 3.699 50 0 DHAARO CC(C)(C)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000005976799 181302939 /nfs/dbraw/zinc/30/29/39/181302939.db2.gz ZEZSVLQRBBDXBN-INIZCTEOSA-N 1 0 319.412 3.621 50 0 DHAARO CCCCO[P@](C)(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000006397669 181337227 /nfs/dbraw/zinc/33/72/27/181337227.db2.gz MHYQTYYTGDIMIE-MDOVXXIYSA-N 1 0 303.383 3.907 50 0 DHAARO COc1cc(Cl)ccc1NC(=O)C[C@@H](C)[NH2+]C1CCCC1 ZINC000006650970 181365123 /nfs/dbraw/zinc/36/51/23/181365123.db2.gz PBOUVTVJLXWYSB-LLVKDONJSA-N 1 0 310.825 3.598 50 0 DHAARO O=C(Nc1cccc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000006697567 181371555 /nfs/dbraw/zinc/37/15/55/181371555.db2.gz FTMKHOVWLRZSNJ-UHFFFAOYSA-N 1 0 321.852 3.822 50 0 DHAARO CC(C)Oc1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000006701971 181373387 /nfs/dbraw/zinc/37/33/87/181373387.db2.gz GPZABOCDVWWOCP-UHFFFAOYSA-N 1 0 318.461 3.513 50 0 DHAARO COc1ccc2c(c1)c1c3n2CCN(C2CCCCC2)C3=[NH+]CC1 ZINC000006710512 181375859 /nfs/dbraw/zinc/37/58/59/181375859.db2.gz GLGVXUZRAPAKTI-UHFFFAOYSA-N 1 0 323.440 3.601 50 0 DHAARO CC[C@@H](C)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000006731243 181379079 /nfs/dbraw/zinc/37/90/79/181379079.db2.gz LTADXZKUHAHAGS-OAHLLOKOSA-N 1 0 303.450 3.808 50 0 DHAARO OCc1cccc(C[C@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000091664595 193086943 /nfs/dbraw/zinc/08/69/43/193086943.db2.gz YDQRIRJDFKXOIX-GOSISDBHSA-N 1 0 320.436 3.725 50 0 DHAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ccccc3)c1)C2 ZINC000091736635 193098875 /nfs/dbraw/zinc/09/88/75/193098875.db2.gz APANZXZIILHZLL-OXQOHEQNSA-N 1 0 320.436 3.520 50 0 DHAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000091987125 193137497 /nfs/dbraw/zinc/13/74/97/193137497.db2.gz ANZXIPHFPXWBIL-OAHLLOKOSA-N 1 0 303.837 3.936 50 0 DHAARO c1ccc2nc(N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)ccc2c1 ZINC000091988382 193137807 /nfs/dbraw/zinc/13/78/07/193137807.db2.gz RQODJSXJGRVSDX-SJLPKXTDSA-N 1 0 307.441 3.545 50 0 DHAARO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000093737857 193298137 /nfs/dbraw/zinc/29/81/37/193298137.db2.gz WRQZBIYTGHVIJU-CVEARBPZSA-N 1 0 303.446 3.601 50 0 DHAARO CC[N@H+](C)C[C@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000093770130 193304235 /nfs/dbraw/zinc/30/42/35/193304235.db2.gz KBMKXLFWABCUFM-CQSZACIVSA-N 1 0 307.507 3.574 50 0 DHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1Cl ZINC000010543011 181673684 /nfs/dbraw/zinc/67/36/84/181673684.db2.gz MKKHVRSSWZNVME-AWEZNQCLSA-N 1 0 308.853 3.724 50 0 DHAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2F)cc1OC ZINC000012383606 181755263 /nfs/dbraw/zinc/75/52/63/181755263.db2.gz PRPJCZIPKBGMGL-CYBMUJFWSA-N 1 0 303.377 3.564 50 0 DHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000015549902 182006028 /nfs/dbraw/zinc/00/60/28/182006028.db2.gz IPIKXRHLVLBQJO-SFHVURJKSA-N 1 0 318.367 3.890 50 0 DHAARO CCC[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000015356900 181998809 /nfs/dbraw/zinc/99/88/09/181998809.db2.gz QGGAKCNSJDAIHB-UHFFFAOYSA-N 1 0 313.397 3.536 50 0 DHAARO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860007 182021628 /nfs/dbraw/zinc/02/16/28/182021628.db2.gz GSVAVLALCYHGIF-QGZVFWFLSA-N 1 0 312.413 3.545 50 0 DHAARO Cc1ccc2[nH]c(C[N@@H+](C)Cc3ccc(F)cc3)cc(=O)c2c1 ZINC000015862323 182022718 /nfs/dbraw/zinc/02/27/18/182022718.db2.gz IRPSIKVAWRXGFQ-UHFFFAOYSA-N 1 0 310.372 3.608 50 0 DHAARO C[C@@H]1C[N@@H+](CCCOc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000016247432 182038720 /nfs/dbraw/zinc/03/87/20/182038720.db2.gz LIKHRWUHHPZKIE-TXEJJXNPSA-N 1 0 318.244 3.872 50 0 DHAARO Cc1ccccc1C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 ZINC000017208734 182080157 /nfs/dbraw/zinc/08/01/57/182080157.db2.gz RGOZBNLLIDZQFB-UHFFFAOYSA-N 1 0 307.392 3.885 50 0 DHAARO OC(C[NH2+]Cc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000019205300 182107380 /nfs/dbraw/zinc/10/73/80/182107380.db2.gz JMFMVUJQIGHMRN-UHFFFAOYSA-N 1 0 303.405 3.712 50 0 DHAARO CCOc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019359664 182118587 /nfs/dbraw/zinc/11/85/87/182118587.db2.gz CFSBYLBRWKJABK-SFHVURJKSA-N 1 0 314.473 3.559 50 0 DHAARO C[NH+]1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000019536758 182129475 /nfs/dbraw/zinc/12/94/75/182129475.db2.gz RHTVLVXDZUFGCM-UHFFFAOYSA-N 1 0 316.832 3.880 50 0 DHAARO COc1ccc(C[NH2+]CCc2ccccc2)cc1Br ZINC000019720378 182138706 /nfs/dbraw/zinc/13/87/06/182138706.db2.gz SEISJRLLHMFHON-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO COc1ccc(CC[N@H+](C)Cc2ccc(F)cc2F)cc1OC ZINC000019607233 182132845 /nfs/dbraw/zinc/13/28/45/182132845.db2.gz TWJCDJXLJCCMEU-UHFFFAOYSA-N 1 0 321.367 3.657 50 0 DHAARO C(=C/c1ccccc1)\CN1CC[NH+](CCc2ccccc2)CC1 ZINC000019633908 182133983 /nfs/dbraw/zinc/13/39/83/182133983.db2.gz KQTQRXCHAVUXGV-KPKJPENVSA-N 1 0 306.453 3.560 50 0 DHAARO Clc1ccccc1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019788048 182148305 /nfs/dbraw/zinc/14/83/05/182148305.db2.gz WDEUKRRXDADAJJ-MRXNPFEDSA-N 1 0 304.865 3.814 50 0 DHAARO CCOc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019842303 182155608 /nfs/dbraw/zinc/15/56/08/182155608.db2.gz IFKBWBBKZKEALA-PKOBYXMFSA-N 1 0 316.489 3.782 50 0 DHAARO Cc1[nH]c2ccc(F)cc2c(=O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000019793453 182149933 /nfs/dbraw/zinc/14/99/33/182149933.db2.gz BLSSUORJMFYQBY-UHFFFAOYSA-N 1 0 322.383 3.534 50 0 DHAARO Clc1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019809281 182152853 /nfs/dbraw/zinc/15/28/53/182152853.db2.gz DFEKGEVTPASXGK-MRXNPFEDSA-N 1 0 304.865 3.814 50 0 DHAARO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1OC ZINC000019831380 182154834 /nfs/dbraw/zinc/15/48/34/182154834.db2.gz GGTQQSYZSJJXKA-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO Cc1ccc(OCCCCCN2CC[NH2+]CC2)c(C(C)(C)C)c1 ZINC000019944965 182168727 /nfs/dbraw/zinc/16/87/27/182168727.db2.gz HNTGDIFPLRVSRZ-UHFFFAOYSA-N 1 0 318.505 3.747 50 0 DHAARO COc1ccc(CC[NH2+]Cc2ccc(Cl)s2)cc1OC ZINC000019994552 182175491 /nfs/dbraw/zinc/17/54/91/182175491.db2.gz UQBKVCLMIZELTR-UHFFFAOYSA-N 1 0 311.834 3.751 50 0 DHAARO Cc1cccc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000020211569 182197362 /nfs/dbraw/zinc/19/73/62/182197362.db2.gz XSDLPCVAJKZGJK-NRFANRHFSA-N 1 0 323.484 3.529 50 0 DHAARO CC(C)CC[C@@]1(CC[NH2+]CCN(C)C)CCO[C@@H](C(C)C)C1 ZINC000020649281 182241091 /nfs/dbraw/zinc/24/10/91/182241091.db2.gz SDZRWKJHFVQPCS-RTBURBONSA-N 1 0 312.542 3.785 50 0 DHAARO CCC(=O)c1ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020652925 182241814 /nfs/dbraw/zinc/24/18/14/182241814.db2.gz XMWUZASLQCBKFX-HOTGVXAUSA-N 1 0 319.445 3.548 50 0 DHAARO Cc1cc(C)n(CCC[NH+]2CCC3(C=Cc4ccccc43)CC2)n1 ZINC000020598442 182236702 /nfs/dbraw/zinc/23/67/02/182236702.db2.gz GZCVGSFIXCFORI-UHFFFAOYSA-N 1 0 321.468 3.951 50 0 DHAARO Cc1ccc(C(C)C)c(OCCCCC[NH+]2CCOCC2)c1 ZINC000021540283 182280105 /nfs/dbraw/zinc/28/01/05/182280105.db2.gz NXNYWNZULVTWMD-UHFFFAOYSA-N 1 0 305.462 4.000 50 0 DHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(O)c(OC)c1 ZINC000021720982 182286705 /nfs/dbraw/zinc/28/67/05/182286705.db2.gz HBLPXTLMFRCWNW-CQSZACIVSA-N 1 0 316.401 3.597 50 0 DHAARO FC(F)(F)c1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000022026830 182304446 /nfs/dbraw/zinc/30/44/46/182304446.db2.gz HLMJOIZGABPANJ-QGZVFWFLSA-N 1 0 320.358 3.700 50 0 DHAARO COc1ccc2ccccc2c1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@@H]12 ZINC000022023029 182304853 /nfs/dbraw/zinc/30/48/53/182304853.db2.gz IPCTZAPSIHIEIV-PWIZWCRZSA-N 1 0 311.425 3.804 50 0 DHAARO [NH3+]Cc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1 ZINC000022048622 182306291 /nfs/dbraw/zinc/30/62/91/182306291.db2.gz UKOHFWNBTUJMMN-UHFFFAOYSA-N 1 0 309.348 3.562 50 0 in-vitro DHAARO Cc1ccc(N(C[C@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000022216156 182313645 /nfs/dbraw/zinc/31/36/45/182313645.db2.gz GXZBMQKUWBEVGB-OAQYLSRUSA-N 1 0 324.468 3.980 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccco1)c1ccccc1Cl ZINC000022681718 182330588 /nfs/dbraw/zinc/33/05/88/182330588.db2.gz BYIHECRWRVEIPD-OAHLLOKOSA-N 1 0 320.820 3.746 50 0 DHAARO Cc1ccccc1NC(=S)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023243240 182353922 /nfs/dbraw/zinc/35/39/22/182353922.db2.gz BHUHJRLAHARVJP-AWEZNQCLSA-N 1 0 319.499 3.646 50 0 DHAARO CC(C)(CNC(=O)Nc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000023130130 182349998 /nfs/dbraw/zinc/34/99/98/182349998.db2.gz RGUCFVSLTQFQBJ-UHFFFAOYSA-N 1 0 323.440 3.645 50 0 DHAARO Cc1cc2ccccc2n1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000024811115 182391761 /nfs/dbraw/zinc/39/17/61/182391761.db2.gz NAVNZLNRUISAGS-UHFFFAOYSA-N 1 0 321.424 3.650 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)NCc1cccs1 ZINC000024985705 182397837 /nfs/dbraw/zinc/39/78/37/182397837.db2.gz OYZDIASZDFTYCR-NWDGAFQWSA-N 1 0 322.861 3.757 50 0 DHAARO CC(C)[N@H+](C)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000031087289 182605795 /nfs/dbraw/zinc/60/57/95/182605795.db2.gz OZICBSQLPNRVCF-UHFFFAOYSA-N 1 0 318.248 3.845 50 0 DHAARO CCC[N@@H+](Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036096294 182798010 /nfs/dbraw/zinc/79/80/10/182798010.db2.gz ZJSMBWIYKLPNHJ-GOSISDBHSA-N 1 0 301.405 3.641 50 0 DHAARO CCC(CC)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584344 183003491 /nfs/dbraw/zinc/00/34/91/183003491.db2.gz KEQFAFZPTJKMKW-UHFFFAOYSA-N 1 0 308.491 3.513 50 0 DHAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1ccccc1 ZINC000040002686 183027103 /nfs/dbraw/zinc/02/71/03/183027103.db2.gz OHCMDCOUVYMADX-RHSMWYFYSA-N 1 0 316.470 3.740 50 0 DHAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccccc1 ZINC000040002683 183027668 /nfs/dbraw/zinc/02/76/68/183027668.db2.gz OHCMDCOUVYMADX-YOEHRIQHSA-N 1 0 316.470 3.740 50 0 DHAARO C[N@H+](C[C@H](O)c1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000040105814 183035546 /nfs/dbraw/zinc/03/55/46/183035546.db2.gz FJEXHQGYPHSXAD-MSOLQXFVSA-N 1 0 301.817 3.993 50 0 DHAARO CCc1cc(Br)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770205 183306738 /nfs/dbraw/zinc/30/67/38/183306738.db2.gz BFUPUDZRJKIOBX-AWEZNQCLSA-N 1 0 312.251 3.923 50 0 DHAARO CS[C@@H](C)CC[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055414706 183986459 /nfs/dbraw/zinc/98/64/59/183986459.db2.gz VZOMXQQDGILGTR-AWEZNQCLSA-N 1 0 322.522 3.714 50 0 DHAARO CCC[NH+]1CCC(CC(=O)Nc2ccnn2[C@H](C)C(C)C)CC1 ZINC000055270592 183975873 /nfs/dbraw/zinc/97/58/73/183975873.db2.gz ATBKAFWBTXKZDN-OAHLLOKOSA-N 1 0 320.481 3.551 50 0 DHAARO C[C@H](CNC(=O)c1cc2ccccc2s1)[NH+]1CCCCC1 ZINC000055933593 184001183 /nfs/dbraw/zinc/00/11/83/184001183.db2.gz KPMOCSPSDYAQLY-CYBMUJFWSA-N 1 0 302.443 3.506 50 0 DHAARO C/C(=C\c1ccco1)C[N@@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000055575829 183992085 /nfs/dbraw/zinc/99/20/85/183992085.db2.gz VFQCBPPREPLZCE-APEZIOSESA-N 1 0 312.413 3.759 50 0 DHAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](CC(C)C)CC2)s1 ZINC000057360926 184036349 /nfs/dbraw/zinc/03/63/49/184036349.db2.gz WVQSTNACBAWGLI-AWEZNQCLSA-N 1 0 308.491 3.602 50 0 DHAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)no1 ZINC000057383493 184036810 /nfs/dbraw/zinc/03/68/10/184036810.db2.gz QTKQUOXQYQCFEA-INIZCTEOSA-N 1 0 321.808 3.562 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)ccc1C)c1ccco1 ZINC000058085194 184073555 /nfs/dbraw/zinc/07/35/55/184073555.db2.gz OPAUEIICZNYOGV-QGZVFWFLSA-N 1 0 314.429 3.709 50 0 DHAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@H](C)c1oc3ccccc3c1C)CN2 ZINC000058308399 184103618 /nfs/dbraw/zinc/10/36/18/184103618.db2.gz CEQFVOVFSWDWSY-HUUCEWRRSA-N 1 0 324.428 3.639 50 0 DHAARO Cc1cccc(C)c1-n1nnnc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000060478161 184150006 /nfs/dbraw/zinc/15/00/06/184150006.db2.gz IYKHUEBENWBBQH-UHFFFAOYSA-N 1 0 315.465 3.584 50 0 DHAARO c1coc(-c2c(-c3ccccc3)ncn2CC[NH+]2CCCC2)c1 ZINC000065388133 184334124 /nfs/dbraw/zinc/33/41/24/184334124.db2.gz APMIQEOPXDZRKU-UHFFFAOYSA-N 1 0 307.397 3.906 50 0 DHAARO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000065373102 184330695 /nfs/dbraw/zinc/33/06/95/184330695.db2.gz IKFVDRFLLDJNMB-CYBMUJFWSA-N 1 0 311.360 3.597 50 0 DHAARO CCn1cc(C2CC[NH+](Cc3cccc4cccnc43)CC2)cn1 ZINC000065458712 184348419 /nfs/dbraw/zinc/34/84/19/184348419.db2.gz JZMXKAIELXHCIB-UHFFFAOYSA-N 1 0 320.440 3.831 50 0 DHAARO CCc1c(C)sc2ncnc(NCc3ccc(C[NH3+])cc3)c12 ZINC000065492138 184353986 /nfs/dbraw/zinc/35/39/86/184353986.db2.gz QLBPLIKCRMTLJA-UHFFFAOYSA-N 1 0 312.442 3.633 50 0 DHAARO Cc1cc(C)c(C(N)=O)c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n1 ZINC000065396909 184335622 /nfs/dbraw/zinc/33/56/22/184335622.db2.gz JZQDNYWPLZECDH-HNNXBMFYSA-N 1 0 323.440 3.621 50 0 DHAARO c1cc(C[NH+]2CCC(c3ccncc3)CC2)n(-c2nccs2)c1 ZINC000065533762 184361857 /nfs/dbraw/zinc/36/18/57/184361857.db2.gz ZTLCUAXJTGRVAE-UHFFFAOYSA-N 1 0 324.453 3.708 50 0 DHAARO C[N@@H+]1CCCC[C@H]1CCc1nc(C2CC2)nn1-c1ccccc1 ZINC000065506824 184356888 /nfs/dbraw/zinc/35/68/88/184356888.db2.gz UBGPNAMPGYGJFQ-INIZCTEOSA-N 1 0 310.445 3.562 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000157236939 197172707 /nfs/dbraw/zinc/17/27/07/197172707.db2.gz XMPSKZSAWMRXOM-GOEBONIOSA-N 1 0 318.461 3.525 50 0 DHAARO Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1C ZINC000022147093 256529964 /nfs/dbraw/zinc/52/99/64/256529964.db2.gz QRJRNPCRRILKBV-MRXNPFEDSA-N 1 0 307.478 3.848 50 0 DHAARO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000236746925 257239194 /nfs/dbraw/zinc/23/91/94/257239194.db2.gz WGXXMXXWNMRZPI-RVKKMQEKSA-N 1 0 302.462 3.642 50 0 DHAARO Cc1[nH]nc(C(C)C)c1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000426529264 257247585 /nfs/dbraw/zinc/24/75/85/257247585.db2.gz KEYYTGWRJRVJJP-OAHLLOKOSA-N 1 0 313.445 3.902 50 0 DHAARO C[C@H](c1cccc(-c2nc(C(F)(F)F)nn2C)c1)[NH+]1CCCC1 ZINC000426388570 257252174 /nfs/dbraw/zinc/25/21/74/257252174.db2.gz UMWPQJVMWJNFKA-LLVKDONJSA-N 1 0 324.350 3.658 50 0 DHAARO CCC[C@H]1CCCN1C(=O)c1ccc(-c2cc(N)cc[nH+]2)cc1 ZINC000426359993 257253182 /nfs/dbraw/zinc/25/31/82/257253182.db2.gz UPGFXDLMLVOWIR-KRWDZBQOSA-N 1 0 309.413 3.736 50 0 DHAARO Cc1ccc2cc(C[NH2+][C@@H](CO)c3cccc(F)c3)ccc2n1 ZINC000408514296 257256429 /nfs/dbraw/zinc/25/64/29/257256429.db2.gz IZSNJPRFNFSWKF-IBGZPJMESA-N 1 0 310.372 3.506 50 0 DHAARO c1csc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000243893367 257259491 /nfs/dbraw/zinc/25/94/91/257259491.db2.gz AQLRASXAHOOIBE-ZWKOTPCHSA-N 1 0 304.503 3.977 50 0 DHAARO Fc1ccc(C[N@H+](Cc2ccc(F)cn2)C2CCOCC2)cc1 ZINC000287897702 131305539 /nfs/dbraw/zinc/30/55/39/131305539.db2.gz UOWVLVIVJZLNHY-UHFFFAOYSA-N 1 0 318.367 3.541 50 0 DHAARO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129715831 196070675 /nfs/dbraw/zinc/07/06/75/196070675.db2.gz UXPVCZLLUGMTLH-XBFCOCLRSA-N 1 0 303.372 3.538 50 0 DHAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnc2ccsc2c1 ZINC000134798219 196420040 /nfs/dbraw/zinc/42/00/40/196420040.db2.gz XFXSVYPJXXPKMP-BHADISHBSA-N 1 0 314.454 3.905 50 0 DHAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc[nH]c1=S ZINC000030606160 262540376 /nfs/dbraw/zinc/54/03/76/262540376.db2.gz UJZKXWNVOSGWPC-UHFFFAOYSA-N 1 0 313.426 3.592 50 0 DHAARO C[C@H](O)C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000092969343 332132848 /nfs/dbraw/zinc/13/28/48/332132848.db2.gz XQWWNFWUQYKERU-HNNXBMFYSA-N 1 0 303.446 3.601 50 0 DHAARO Clc1ccc([C@H]([NH2+]C2CCOCC2)c2cccnc2)cc1 ZINC000534593342 334294853 /nfs/dbraw/zinc/29/48/53/334294853.db2.gz URSFQGVQIOGLDM-KRWDZBQOSA-N 1 0 302.805 3.593 50 0 DHAARO Cc1nccn1CC[C@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534658904 334314933 /nfs/dbraw/zinc/31/49/33/334314933.db2.gz UFTBJYFXYJLTQU-AWEZNQCLSA-N 1 0 317.864 3.988 50 0 DHAARO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000345960855 335364171 /nfs/dbraw/zinc/36/41/71/335364171.db2.gz MBOIEKKGXKYNRZ-HNNXBMFYSA-N 1 0 316.436 3.535 50 0 DHAARO CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@H]1CCOC(C)(C)C1 ZINC000351926951 336179588 /nfs/dbraw/zinc/17/95/88/336179588.db2.gz QALPDIOILVXJHY-SFHVURJKSA-N 1 0 313.445 3.652 50 0 DHAARO COc1cccc2c(N3CCC(c4c[nH]nc4C)CC3)ccnc12 ZINC000376484996 337034677 /nfs/dbraw/zinc/03/46/77/337034677.db2.gz BYOUFQLNSVIKQQ-UHFFFAOYSA-N 1 0 322.412 3.659 50 0 DHAARO Fc1ccc(NC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000179426291 337169432 /nfs/dbraw/zinc/16/94/32/337169432.db2.gz JVTOGBJOYIJTAU-UHFFFAOYSA-N 1 0 324.403 3.779 50 0 DHAARO Cn1c(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)nnc1C1CCC1 ZINC000133668150 337383258 /nfs/dbraw/zinc/38/32/58/337383258.db2.gz WRYWXIHDQRCXCU-IAGOWNOFSA-N 1 0 310.445 3.509 50 0 DHAARO COc1ccc(CC[NH2+][C@H](C)CCc2ccc(OC)cc2)cc1 ZINC000004989180 338005948 /nfs/dbraw/zinc/00/59/48/338005948.db2.gz CVNUMLMIVJNQST-MRXNPFEDSA-N 1 0 313.441 3.857 50 0 DHAARO Clc1ccc(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000192704263 526953559 /nfs/dbraw/zinc/95/35/59/526953559.db2.gz UZCONEZDTRPXNK-UHFFFAOYSA-N 1 0 317.820 3.656 50 0 DHAARO Cc1ccsc1C[NH2+]CCNc1ccc(C(F)(F)F)cn1 ZINC000075109933 563860415 /nfs/dbraw/zinc/86/04/15/563860415.db2.gz HGRLZSNFOBBLNB-UHFFFAOYSA-N 1 0 315.364 3.672 50 0 DHAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)C)s1 ZINC000036101651 563893318 /nfs/dbraw/zinc/89/33/18/563893318.db2.gz PEPBEWNDMOTLQQ-MRXNPFEDSA-N 1 0 313.507 3.691 50 0 DHAARO CC[NH+](CC)CCCOC(=O)C1(c2ccccc2)CCCC1 ZINC000002269088 563920922 /nfs/dbraw/zinc/92/09/22/563920922.db2.gz CJUMSMMWZFHYSW-UHFFFAOYSA-N 1 0 303.446 3.774 50 0 DHAARO C[C@@H](NCc1cscn1)c1cc(Br)ccc1F ZINC000095967551 563932814 /nfs/dbraw/zinc/93/28/14/563932814.db2.gz TWVNOLGKYPNHMK-MRVPVSSYSA-N 1 0 315.211 3.896 50 0 DHAARO Cc1ccc(C)c(OCCSC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000009691501 563957360 /nfs/dbraw/zinc/95/73/60/563957360.db2.gz MGQBPZIHPKNTFB-GJZGRUSLSA-N 1 0 304.459 3.686 50 0 DHAARO Cc1ccc([C@H](CNC(=O)C(C)C)[NH+]2CCCCCC2)cc1 ZINC000027662459 563429418 /nfs/dbraw/zinc/42/94/18/563429418.db2.gz WGEQKDFGDBCSCQ-SFHVURJKSA-N 1 0 302.462 3.684 50 0 DHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000000238910 563232054 /nfs/dbraw/zinc/23/20/54/563232054.db2.gz XYQBXOHRHLJLIU-FQEVSTJZSA-N 1 0 324.468 3.920 50 0 DHAARO CCOc1ccc(CN2CCC([N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000000316893 563240044 /nfs/dbraw/zinc/24/00/44/563240044.db2.gz YTKFWXBFVGRGTA-KRWDZBQOSA-N 1 0 316.489 3.782 50 0 DHAARO CCc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccccc3)C2)cc1 ZINC000002966304 563345376 /nfs/dbraw/zinc/34/53/76/563345376.db2.gz WUVKJHSMAYGDQB-NRFANRHFSA-N 1 0 321.444 3.509 50 0 DHAARO CC[C@@H](CO)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000008326398 563345965 /nfs/dbraw/zinc/34/59/65/563345965.db2.gz BDVAVLGXDKQPIE-KRWDZBQOSA-N 1 0 319.832 3.780 50 0 DHAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012028894 563360895 /nfs/dbraw/zinc/36/08/95/563360895.db2.gz GJTNPEGLJVHCGH-UHFFFAOYSA-N 1 0 319.420 3.771 50 0 DHAARO C/C=C(\C)C[N@H+]1CCC[C@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012094071 563361640 /nfs/dbraw/zinc/36/16/40/563361640.db2.gz OYSHLVZUYVDPDF-RNDAEWJDSA-N 1 0 317.429 3.565 50 0 DHAARO CC(C)(C)C[NH+]1CCC2(C[C@@H]2C(=O)NCc2cccs2)CC1 ZINC000012155592 563363252 /nfs/dbraw/zinc/36/32/52/563363252.db2.gz HZINEHSMKSTCFP-OAHLLOKOSA-N 1 0 320.502 3.513 50 0 DHAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012320314 563366041 /nfs/dbraw/zinc/36/60/41/563366041.db2.gz CBPIDFGANMEGKQ-INIZCTEOSA-N 1 0 314.816 3.830 50 0 DHAARO Fc1ccccc1Oc1ncccc1C[NH2+]C1CCSCC1 ZINC000012307898 563366069 /nfs/dbraw/zinc/36/60/69/563366069.db2.gz QKSNFEKKOANQJI-UHFFFAOYSA-N 1 0 318.417 3.998 50 0 DHAARO Cc1n[nH]c(C)c1C[N@H+](C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000012306033 563366262 /nfs/dbraw/zinc/36/62/62/563366262.db2.gz UAZIBIMFPFJZKP-UHFFFAOYSA-N 1 0 323.444 3.665 50 0 DHAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+](C)C1CCOCC1 ZINC000012475030 563370836 /nfs/dbraw/zinc/37/08/36/563370836.db2.gz GUHOYCGKBAXZGI-UHFFFAOYSA-N 1 0 300.402 3.569 50 0 DHAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012711142 563373446 /nfs/dbraw/zinc/37/34/46/563373446.db2.gz BBMDSZXLIRIJRN-AWEZNQCLSA-N 1 0 321.848 3.722 50 0 DHAARO Cc1c([C@H](C)[NH2+]C2CCSCC2)cnn1-c1cccc(F)c1 ZINC000012755240 563373536 /nfs/dbraw/zinc/37/35/36/563373536.db2.gz SAKKOLLOJRWDPY-LBPRGKRZSA-N 1 0 319.449 3.866 50 0 DHAARO O=C(NCCCc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013674276 563385492 /nfs/dbraw/zinc/38/54/92/563385492.db2.gz CMHRQFNVRQNLNP-UHFFFAOYSA-N 1 0 322.452 3.645 50 0 DHAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1 ZINC000032739758 563388974 /nfs/dbraw/zinc/38/89/74/563388974.db2.gz HEPKGBCEDQVFCN-KRWDZBQOSA-N 1 0 322.452 3.713 50 0 DHAARO Cc1ccc(-c2c[n+](CC(=O)c3ccccc3)c3n2CCC3)cc1 ZINC000013769100 563388998 /nfs/dbraw/zinc/38/89/98/563388998.db2.gz HBDSZYLGZGYPPM-UHFFFAOYSA-N 1 0 317.412 3.580 50 0 DHAARO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccs2)cc1 ZINC000032754407 563390883 /nfs/dbraw/zinc/39/08/83/563390883.db2.gz YCDJKHICHPLNFJ-KRWDZBQOSA-N 1 0 314.454 3.510 50 0 DHAARO Brc1c(OC[C@@H]2CCC[NH2+]C2)ccc2ccccc21 ZINC000014631285 563402354 /nfs/dbraw/zinc/40/23/54/563402354.db2.gz HCOXBKMTQNDQBU-GFCCVEGCSA-N 1 0 320.230 3.981 50 0 DHAARO COc1ccc(-c2nnc([C@H](C)[NH+]3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000025507896 563423389 /nfs/dbraw/zinc/42/33/89/563423389.db2.gz QCBYCAKLDSMCBZ-MCIONIFRSA-N 1 0 315.417 3.784 50 0 DHAARO Cc1ccccc1[C@H](C)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000026180487 563425355 /nfs/dbraw/zinc/42/53/55/563425355.db2.gz ROPXRQDLZMDTPW-AWEZNQCLSA-N 1 0 317.477 3.664 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+]C2CCCCC2)c2ccc(C)cc12 ZINC000028297073 563431353 /nfs/dbraw/zinc/43/13/53/563431353.db2.gz PLHYIUNCCAEPCC-GOSISDBHSA-N 1 0 314.473 3.850 50 0 DHAARO c1cc2c(ncnc2N[C@@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000029526860 563434841 /nfs/dbraw/zinc/43/48/41/563434841.db2.gz VBQHWKWTNZGUER-INIZCTEOSA-N 1 0 324.453 3.940 50 0 DHAARO CCc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029810601 563436203 /nfs/dbraw/zinc/43/62/03/563436203.db2.gz ZWRMJKWVUYCIOD-IBGZPJMESA-N 1 0 308.425 3.807 50 0 DHAARO CC(C)[C@@H](NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccs1 ZINC000034870151 563452089 /nfs/dbraw/zinc/45/20/89/563452089.db2.gz GHQSAUPEWUARBG-CKEIUWERSA-N 1 0 308.491 3.539 50 0 DHAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000007984376 563460744 /nfs/dbraw/zinc/46/07/44/563460744.db2.gz UZGYTWUPCGXNQM-SOUVJXGZSA-N 1 0 304.434 3.581 50 0 DHAARO C[C@H]1SCCN(Cc2nc(C3CC3)no2)[C@H]1c1ccccc1 ZINC000071911156 563468976 /nfs/dbraw/zinc/46/89/76/563468976.db2.gz KNMAFRRAMVBWNN-MLGOLLRUSA-N 1 0 315.442 3.626 50 0 DHAARO CCC[C@H](O)C[N@H+](CCC(C)C)Cc1cc(OC)cc(OC)c1 ZINC000036095138 563469009 /nfs/dbraw/zinc/46/90/09/563469009.db2.gz VKDZDYGOTZHGSJ-KRWDZBQOSA-N 1 0 323.477 3.713 50 0 DHAARO Cc1ccnc(C[C@@H](C)N(C)c2nc(C)nc3sccc32)c1 ZINC000055358577 563474528 /nfs/dbraw/zinc/47/45/28/563474528.db2.gz LGVUZCBMGXZQBO-GFCCVEGCSA-N 1 0 312.442 3.771 50 0 DHAARO COc1ccccc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055543455 563476229 /nfs/dbraw/zinc/47/62/29/563476229.db2.gz QSHYHAPZDGXGSI-UHFFFAOYSA-N 1 0 316.832 3.671 50 0 DHAARO O[C@H](C[C@@H]1CCCCCN1Cc1cscn1)c1ccco1 ZINC000096468672 563483567 /nfs/dbraw/zinc/48/35/67/563483567.db2.gz HFGVCZNETUBZOA-LSDHHAIUSA-N 1 0 306.431 3.604 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)CCc1ccc(F)cc1 ZINC000096482509 563484405 /nfs/dbraw/zinc/48/44/05/563484405.db2.gz YRHPETUFSTXYLS-UHFFFAOYSA-N 1 0 300.377 3.507 50 0 DHAARO c1nc(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000096480635 563484747 /nfs/dbraw/zinc/48/47/47/563484747.db2.gz RPNJOXYCUKRWKE-OAHLLOKOSA-N 1 0 300.427 3.722 50 0 DHAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccccc2-c2ccccc2)C1 ZINC000067632624 563487993 /nfs/dbraw/zinc/48/79/93/563487993.db2.gz CRRZYCRIPCBIRC-QGZVFWFLSA-N 1 0 322.452 3.814 50 0 DHAARO C[NH+](C)Cc1cccc(-c2nccn2-c2ccc(F)cc2F)c1 ZINC000067743522 563490577 /nfs/dbraw/zinc/49/05/77/563490577.db2.gz HGRLEEDQDRRCNP-UHFFFAOYSA-N 1 0 313.351 3.879 50 0 DHAARO CC(C)=CC[N@@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000067821912 563491153 /nfs/dbraw/zinc/49/11/53/563491153.db2.gz XWLKXKXFGVMBLS-UHFFFAOYSA-N 1 0 304.340 3.944 50 0 DHAARO CC(C)n1c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)nc2ccccc21 ZINC000067842232 563492219 /nfs/dbraw/zinc/49/22/19/563492219.db2.gz GDOMOLMNXOVMTD-HNNXBMFYSA-N 1 0 323.444 3.720 50 0 DHAARO CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000068590937 563494668 /nfs/dbraw/zinc/49/46/68/563494668.db2.gz NQRUYCVWCPVFIP-IAGOWNOFSA-N 1 0 318.461 3.512 50 0 DHAARO COc1ccc2cc([C@H]3CN(c4cc[nH+]cc4)CCO3)ccc2c1 ZINC000071775515 563500683 /nfs/dbraw/zinc/50/06/83/563500683.db2.gz UNRIDEONXLJPBM-HXUWFJFHSA-N 1 0 320.392 3.821 50 0 DHAARO FC(F)(F)c1cccnc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000097034996 563504381 /nfs/dbraw/zinc/50/43/81/563504381.db2.gz PSEFAMJHVCYWPT-HIFRSBDPSA-N 1 0 324.350 3.570 50 0 DHAARO CC(C)=CC[N@@H+]1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095376479 563529505 /nfs/dbraw/zinc/52/95/05/563529505.db2.gz PXZLZYGPHQAEKD-HNNXBMFYSA-N 1 0 316.474 3.534 50 0 DHAARO CCCCn1ccnc1[C@@H]1CCC[N@H+](Cc2scnc2C)C1 ZINC000095387254 563529736 /nfs/dbraw/zinc/52/97/36/563529736.db2.gz UMEJFKQNSWELQF-OAHLLOKOSA-N 1 0 318.490 3.828 50 0 DHAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212876 563578773 /nfs/dbraw/zinc/57/87/73/563578773.db2.gz XVNNKHSGNCZNIR-IBGZPJMESA-N 1 0 314.473 3.610 50 0 DHAARO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C1CCCC1 ZINC000097491330 563594181 /nfs/dbraw/zinc/59/41/81/563594181.db2.gz STPFUIXKHMGDDT-ZDUSSCGKSA-N 1 0 324.415 3.749 50 0 DHAARO C[N@H+](C[C@H](O)c1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000247961525 563598710 /nfs/dbraw/zinc/59/87/10/563598710.db2.gz FJEXHQGYPHSXAD-ROUUACIJSA-N 1 0 301.817 3.993 50 0 DHAARO Cc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000000486106 563646844 /nfs/dbraw/zinc/64/68/44/563646844.db2.gz CMQKORYZVNPMIX-ICSRJNTNSA-N 1 0 320.436 3.752 50 0 biogenic DHAARO C[C@H](C(=O)Nc1ccccc1F)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000102462861 563659682 /nfs/dbraw/zinc/65/96/82/563659682.db2.gz OECUEFNXBZEQOJ-RBSFLKMASA-N 1 0 304.409 3.665 50 0 DHAARO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000107540604 563683961 /nfs/dbraw/zinc/68/39/61/563683961.db2.gz CSMYIWLVWJTCFC-IAGOWNOFSA-N 1 0 314.816 3.515 50 0 DHAARO Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000045951815 563691300 /nfs/dbraw/zinc/69/13/00/563691300.db2.gz MMNODLYVTWRJBH-DLBZAZTESA-N 1 0 317.477 3.996 50 0 DHAARO Cc1cc([C@@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)on1 ZINC000048278795 563694746 /nfs/dbraw/zinc/69/47/46/563694746.db2.gz QGQDLLMXKKCROX-HNNXBMFYSA-N 1 0 311.385 3.894 50 0 DHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000215100612 563704712 /nfs/dbraw/zinc/70/47/12/563704712.db2.gz BOANAYBNRUKTEH-SFHVURJKSA-N 1 0 322.412 3.814 50 0 DHAARO Cc1occc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000215722064 563706826 /nfs/dbraw/zinc/70/68/26/563706826.db2.gz XINUESZVENOOGX-SFHVURJKSA-N 1 0 312.413 3.545 50 0 DHAARO Cc1ccc(-c2ccccc2C[N@H+](C)CCCn2cccn2)o1 ZINC000216315970 563709115 /nfs/dbraw/zinc/70/91/15/563709115.db2.gz WIPNFGIJDSWQNX-UHFFFAOYSA-N 1 0 309.413 3.974 50 0 DHAARO OCC[N@H+](Cc1ccccc1)Cc1ccccc1C(F)(F)F ZINC000055292369 563714452 /nfs/dbraw/zinc/71/44/52/563714452.db2.gz SDGAIUPMSLQTSF-UHFFFAOYSA-N 1 0 309.331 3.700 50 0 DHAARO O=C(c1ccccc1-c1ccccc1)N1CC([NH+]2CCCCC2)C1 ZINC000219547134 563719864 /nfs/dbraw/zinc/71/98/64/563719864.db2.gz QXJFYOWPXISBEF-UHFFFAOYSA-N 1 0 320.436 3.664 50 0 DHAARO COc1ccc(-c2c[nH+]c(NCc3cccc(OC)c3)n2C)cc1 ZINC000000819125 563721110 /nfs/dbraw/zinc/72/11/10/563721110.db2.gz LCVOJBGSGIOMKF-UHFFFAOYSA-N 1 0 323.396 3.716 50 0 DHAARO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000025356086 563726750 /nfs/dbraw/zinc/72/67/50/563726750.db2.gz YJYNCVFVEHLGNN-OAHLLOKOSA-N 1 0 307.397 3.732 50 0 DHAARO CC(C)c1nc(CN(C)[C@H](C[NH+](C)C)c2ccccc2)co1 ZINC000230532644 563773406 /nfs/dbraw/zinc/77/34/06/563773406.db2.gz ZTZDASDCJYVYPF-QGZVFWFLSA-N 1 0 301.434 3.533 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCCCC2)c2c1cccc2Cl ZINC000012421920 563774412 /nfs/dbraw/zinc/77/44/12/563774412.db2.gz WYTXGWVXLDPQKM-HNNXBMFYSA-N 1 0 320.864 3.758 50 0 DHAARO CCCC[C@H]([NH2+]Cc1cc(C)nc(N(C)C)n1)c1ccccc1 ZINC000239869312 563776549 /nfs/dbraw/zinc/77/65/49/563776549.db2.gz CYEWJOJNFVJUDA-SFHVURJKSA-N 1 0 312.461 3.872 50 0 DHAARO Cc1cccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCO2)c1C ZINC000240662449 563776717 /nfs/dbraw/zinc/77/67/17/563776717.db2.gz PLDXCVOVIRTLIH-QGZVFWFLSA-N 1 0 318.461 3.523 50 0 DHAARO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000241121746 563776741 /nfs/dbraw/zinc/77/67/41/563776741.db2.gz JDQWVTNSQMTIOX-DIFFPNOSSA-N 1 0 309.331 3.970 50 0 DHAARO CCCC[C@@H]([NH2+]Cc1cc(C)nc(N(C)C)n1)c1ccccc1 ZINC000239869311 563776803 /nfs/dbraw/zinc/77/68/03/563776803.db2.gz CYEWJOJNFVJUDA-GOSISDBHSA-N 1 0 312.461 3.872 50 0 DHAARO Cc1nc(CO[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3F)C2)cs1 ZINC000241132956 563777068 /nfs/dbraw/zinc/77/70/68/563777068.db2.gz JNOQCLPXZHBYEZ-WFASDCNBSA-N 1 0 320.433 3.943 50 0 DHAARO Cc1nc(CO[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3F)C2)cs1 ZINC000241132955 563777386 /nfs/dbraw/zinc/77/73/86/563777386.db2.gz JNOQCLPXZHBYEZ-SWLSCSKDSA-N 1 0 320.433 3.943 50 0 DHAARO Cc1ccc(Oc2ccc(NC(=O)Cn3ccnc3)cc2)cc1 ZINC000012525571 563797528 /nfs/dbraw/zinc/79/75/28/563797528.db2.gz DUAKLLCNZFTVNP-UHFFFAOYSA-N 1 0 307.353 3.623 50 0 DHAARO Cn1ccc(C[N@H+](C)C(c2ccccc2)c2ccccc2)cc1=O ZINC000042112312 563798417 /nfs/dbraw/zinc/79/84/17/563798417.db2.gz QYFFGOIYSAGBOV-UHFFFAOYSA-N 1 0 318.420 3.607 50 0 DHAARO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)o1 ZINC000012596272 563802872 /nfs/dbraw/zinc/80/28/72/563802872.db2.gz DHVHKXLEDLKJMR-LJQANCHMSA-N 1 0 304.478 3.922 50 0 DHAARO Cc1cc(Cl)ccc1C(=O)N[C@@H](c1nccn1C)C(C)C ZINC000299799749 563806485 /nfs/dbraw/zinc/80/64/85/563806485.db2.gz ZWELPBQYRHPIRO-CQSZACIVSA-N 1 0 305.809 3.509 50 0 DHAARO CC[C@H]1C=CCN1C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299795218 563806694 /nfs/dbraw/zinc/80/66/94/563806694.db2.gz LRTKRRFMPHAWRK-IBGZPJMESA-N 1 0 312.457 3.853 50 0 DHAARO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(-n2ccnc2)c1 ZINC000083473198 563811458 /nfs/dbraw/zinc/81/14/58/563811458.db2.gz GFHAKBYEDWSNAN-ZDUSSCGKSA-N 1 0 312.804 3.772 50 0 DHAARO CC12CN3CC(C)(CN(C1)C3c1c[nH]c3cc(Cl)ccc31)C2 ZINC000032123814 563811638 /nfs/dbraw/zinc/81/16/38/563811638.db2.gz RMOQRZWGASUDQO-UHFFFAOYSA-N 1 0 315.848 3.867 50 0 biogenic DHAARO O[C@]12CCCC[C@H]1[C@H](c1c(Cl)cccc1Cl)[NH2+]CC2 ZINC000001322577 563811749 /nfs/dbraw/zinc/81/17/49/563811749.db2.gz ADCRKOWUVHTZCP-VQISRLSMSA-N 1 0 300.229 3.949 50 0 biogenic DHAARO Cc1[nH]c2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2c1C ZINC000012735699 563817532 /nfs/dbraw/zinc/81/75/32/563817532.db2.gz XFSXZFRHQAAFQA-UHFFFAOYSA-N 1 0 315.461 3.633 50 0 DHAARO Cc1ccccc1[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)C1CC1 ZINC000084234913 563825895 /nfs/dbraw/zinc/82/58/95/563825895.db2.gz BYFYPWOTIFWCAB-KNQAVFIVSA-N 1 0 313.466 3.973 50 0 DHAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000084622402 563828838 /nfs/dbraw/zinc/82/88/38/563828838.db2.gz ZNACLXOVMHQUSC-OAHLLOKOSA-N 1 0 317.864 3.844 50 0 DHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000084779991 563831540 /nfs/dbraw/zinc/83/15/40/563831540.db2.gz GZAAAPYZNNNXMH-SJORKVTESA-N 1 0 317.477 3.806 50 0 DHAARO O=C1CCCN1C1CC[NH+]([C@H]2CCCCc3ccccc32)CC1 ZINC000078972652 563861748 /nfs/dbraw/zinc/86/17/48/563861748.db2.gz YBKPAWFILVJLJG-IBGZPJMESA-N 1 0 312.457 3.541 50 0 DHAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000221901794 563869629 /nfs/dbraw/zinc/86/96/29/563869629.db2.gz BWGRJYMAQGUNDJ-VHTZSSMTSA-N 1 0 311.516 3.795 50 0 DHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123476031 563875589 /nfs/dbraw/zinc/87/55/89/563875589.db2.gz WIVIAKIZNNRZAZ-XVSSEFHLSA-N 1 0 305.340 3.802 50 0 DHAARO Cc1c(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)cnn1C ZINC000090888008 563876512 /nfs/dbraw/zinc/87/65/12/563876512.db2.gz IZDKVGJXVIXAQT-AWEZNQCLSA-N 1 0 306.413 3.641 50 0 DHAARO CCn1c(C[NH2+]CCc2c[nH]c3ccccc23)nc2ccccc21 ZINC000054041172 563882864 /nfs/dbraw/zinc/88/28/64/563882864.db2.gz VLMSWWRQUAAYJO-UHFFFAOYSA-N 1 0 318.424 3.870 50 0 DHAARO C[C@@H](C[NH2+][C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000075572737 563884636 /nfs/dbraw/zinc/88/46/36/563884636.db2.gz RAISYGIMJPZXCH-GHTZIAJQSA-N 1 0 308.469 3.697 50 0 DHAARO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000089310056 563884818 /nfs/dbraw/zinc/88/48/18/563884818.db2.gz WJDABNWSGRIIQQ-ZFWWWQNUSA-N 1 0 318.852 3.892 50 0 DHAARO c1ccc(C2(C[NH2+]C[C@@H]3COc4ccccc4O3)CCCC2)cc1 ZINC000000186725 563886807 /nfs/dbraw/zinc/88/68/07/563886807.db2.gz VLEKPJGZFAKGKV-GOSISDBHSA-N 1 0 323.436 3.928 50 0 biogenic DHAARO Cc1cc2ncc([C@@H](C)[NH2+]CCSC(C)(C)C)c(C)n2n1 ZINC000089516575 563889655 /nfs/dbraw/zinc/88/96/55/563889655.db2.gz DJBRNYMSBKZIPB-GFCCVEGCSA-N 1 0 306.479 3.528 50 0 DHAARO Cc1c(C)n(-c2ccccn2)c2[nH+]c3c(c(N)c12)CCCCC3 ZINC000036351262 563895767 /nfs/dbraw/zinc/89/57/67/563895767.db2.gz PECKCOXORPSUJX-UHFFFAOYSA-N 1 0 306.413 3.888 50 0 DHAARO CC[C@H](C)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192845348 563897555 /nfs/dbraw/zinc/89/75/55/563897555.db2.gz WUCHDHYQEOUJMT-ZDUSSCGKSA-N 1 0 315.417 3.723 50 0 DHAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c1C ZINC000007001488 563901194 /nfs/dbraw/zinc/90/11/94/563901194.db2.gz JJYYMWPJODJYLK-QGTPRVQTSA-N 1 0 305.462 3.520 50 0 DHAARO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000007141010 563903575 /nfs/dbraw/zinc/90/35/75/563903575.db2.gz QLYHNZAWWXYRRP-ZHALLVOQSA-N 1 0 316.489 3.838 50 0 DHAARO Cc1cccc(C)c1NC(=S)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000036847521 563904664 /nfs/dbraw/zinc/90/46/64/563904664.db2.gz DUDCZGJOECMPLN-JKSUJKDBSA-N 1 0 319.518 3.853 50 0 DHAARO CC(C)(C)OC(=O)N1CCC(CC[NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000170591399 563906673 /nfs/dbraw/zinc/90/66/73/563906673.db2.gz HCXJQDCEPZSZKN-IRXDYDNUSA-N 1 0 322.493 3.756 50 0 DHAARO CCCCc1ccc(N(C)C(=O)CCC2CC[NH2+]CC2)cc1 ZINC000170591222 563906696 /nfs/dbraw/zinc/90/66/96/563906696.db2.gz POUPBJJFCWUUGY-UHFFFAOYSA-N 1 0 302.462 3.772 50 0 DHAARO CCCC(=O)Nc1cccc(NC2CC[NH+](C(C)C)CC2)c1 ZINC000170593824 563907033 /nfs/dbraw/zinc/90/70/33/563907033.db2.gz MJSHHLVLUMRQNF-UHFFFAOYSA-N 1 0 303.450 3.710 50 0 DHAARO CCn1c(SCCC[NH+](CC)CC)nnc1-c1ccccc1 ZINC000170605480 563907783 /nfs/dbraw/zinc/90/77/83/563907783.db2.gz UHIMTHWFPARWTM-UHFFFAOYSA-N 1 0 318.490 3.789 50 0 DHAARO CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000170616058 563908434 /nfs/dbraw/zinc/90/84/34/563908434.db2.gz QBNWOOBCEQVTKT-PKOBYXMFSA-N 1 0 319.493 3.740 50 0 DHAARO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cccs1 ZINC000089597121 563910781 /nfs/dbraw/zinc/91/07/81/563910781.db2.gz IVCOSDLHXCLTQQ-CQSZACIVSA-N 1 0 314.454 3.721 50 0 DHAARO O=C(C[N@H+](C1CC1)[C@H]1CCCC[C@@H]1C1CCCCC1)N1CCC1 ZINC000089818290 563911506 /nfs/dbraw/zinc/91/15/06/563911506.db2.gz YRVDDIDNXVPRNZ-MOPGFXCFSA-N 1 0 318.505 3.822 50 0 DHAARO OCc1ccccc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000089813985 563911533 /nfs/dbraw/zinc/91/15/33/563911533.db2.gz JKDZLIYHLXSSKF-SFHVURJKSA-N 1 0 309.409 3.715 50 0 DHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000076057416 563912091 /nfs/dbraw/zinc/91/20/91/563912091.db2.gz ZLHJIEDJGZYRTR-UZLBHIALSA-N 1 0 324.468 3.822 50 0 DHAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000076059621 563912181 /nfs/dbraw/zinc/91/21/81/563912181.db2.gz QZKKPRVLOMBTET-YPMHNXCESA-N 1 0 324.350 3.764 50 0 DHAARO COc1ccc(C[NH2+][C@H](C)c2ccsc2)cc1NC(C)=O ZINC000170669832 563917537 /nfs/dbraw/zinc/91/75/37/563917537.db2.gz KXUMHRHTICSRKI-LLVKDONJSA-N 1 0 304.415 3.566 50 0 DHAARO [NH3+][C@H](CC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195544194 563919696 /nfs/dbraw/zinc/91/96/96/563919696.db2.gz WTHPQIOYMMPMPY-QZTJIDSGSA-N 1 0 312.388 3.579 50 0 DHAARO Cc1ccccc1[C@@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000225444223 563928173 /nfs/dbraw/zinc/92/81/73/563928173.db2.gz WEABRRZHMVYCHS-OALUTQOASA-N 1 0 308.425 3.749 50 0 DHAARO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)c1C ZINC000225475297 563928614 /nfs/dbraw/zinc/92/86/14/563928614.db2.gz WWZPNJBXEYRSQV-BZNIZROVSA-N 1 0 317.408 3.833 50 0 DHAARO CC[C@H](C)NC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000078822604 563929960 /nfs/dbraw/zinc/92/99/60/563929960.db2.gz PRMXUEOOCRAFFI-XYJFISCASA-N 1 0 319.493 3.850 50 0 DHAARO Fc1cccc(C[C@@H]2CCCN2Cc2nccn2C(F)F)c1 ZINC000330032933 563930632 /nfs/dbraw/zinc/93/06/32/563930632.db2.gz VDZSVRCLGCCDBI-AWEZNQCLSA-N 1 0 309.335 3.624 50 0 DHAARO C[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cnccn1 ZINC000095422914 563931378 /nfs/dbraw/zinc/93/13/78/563931378.db2.gz GCYSLJZYIUAWLE-IRXDYDNUSA-N 1 0 324.472 3.791 50 0 DHAARO Cc1cccc(N2CCC([NH2+][C@H](C)c3cccs3)CC2)n1 ZINC000095422610 563931425 /nfs/dbraw/zinc/93/14/25/563931425.db2.gz GXXWZGVNHZLTBV-CQSZACIVSA-N 1 0 301.459 3.771 50 0 DHAARO CC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000095423138 563931579 /nfs/dbraw/zinc/93/15/79/563931579.db2.gz MWNBNBQKNRXTND-FQEVSTJZSA-N 1 0 309.457 3.787 50 0 DHAARO C[C@H](C(=O)N1CCC[C@@H]1c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000095965543 563932721 /nfs/dbraw/zinc/93/27/21/563932721.db2.gz AGSKPWPTCXZGGR-IPELMVKDSA-N 1 0 308.425 3.686 50 0 DHAARO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1c(C)nn(C)c1C ZINC000095968717 563933119 /nfs/dbraw/zinc/93/31/19/563933119.db2.gz MGTYKPHEBLNZGX-PIGZYNQJSA-N 1 0 319.424 3.987 50 0 DHAARO Cc1cnc([C@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000096003612 563934551 /nfs/dbraw/zinc/93/45/51/563934551.db2.gz QHFJXWAANOXMLX-RDJZCZTQSA-N 1 0 313.445 3.687 50 0 DHAARO C[C@@H](OCCC[NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000096476444 563937162 /nfs/dbraw/zinc/93/71/62/563937162.db2.gz QHTXLTLCMSNBFM-QAPCUYQASA-N 1 0 313.445 3.555 50 0 DHAARO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000096479275 563937418 /nfs/dbraw/zinc/93/74/18/563937418.db2.gz ZULMEJBMFFLHSK-XJKSGUPXSA-N 1 0 321.490 3.763 50 0 DHAARO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1c[nH]nc1-c1ccccc1 ZINC000670459826 563945530 /nfs/dbraw/zinc/94/55/30/563945530.db2.gz BTPHJOKMADOKKR-LJQANCHMSA-N 1 0 321.424 3.632 50 0 DHAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCC(C)CC1 ZINC000008717524 563950305 /nfs/dbraw/zinc/95/03/05/563950305.db2.gz UWUHYMLLUJMLME-UHFFFAOYSA-N 1 0 313.445 3.547 50 0 DHAARO Cn1cc([C@H]2CCCN2Cc2csc(C3CCCC3)n2)cn1 ZINC000071797182 563958560 /nfs/dbraw/zinc/95/85/60/563958560.db2.gz JQBWIONSCXLHJH-MRXNPFEDSA-N 1 0 316.474 3.871 50 0 DHAARO O=C(Nc1cccc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071808117 563958808 /nfs/dbraw/zinc/95/88/08/563958808.db2.gz ZWMSZTUXGFVZQN-KRWDZBQOSA-N 1 0 323.440 3.932 50 0 DHAARO CCC[NH+](CCC)C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000010383804 563958834 /nfs/dbraw/zinc/95/88/34/563958834.db2.gz XNOVPCDBVNCATK-NRFBVMONSA-N 1 0 323.521 3.702 50 0 DHAARO CC(C)[C@@H](C)[N@H+](Cc1csc(-c2ncccn2)n1)C1CC1 ZINC000076675448 563960728 /nfs/dbraw/zinc/96/07/28/563960728.db2.gz ZWIARTOXRIQENA-GFCCVEGCSA-N 1 0 302.447 3.609 50 0 DHAARO CNc1cc[nH+]c(N(Cc2ccccc2)Cc2ccccc2)c1N ZINC000526059775 568419518 /nfs/dbraw/zinc/41/95/18/568419518.db2.gz CECPFRHDNLTBLM-UHFFFAOYSA-N 1 0 318.424 3.912 50 0 DHAARO O[C@H](c1cccs1)C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000952870099 1032668837 /nfs/dbraw/zinc/66/88/37/1032668837.db2.gz RTSDBYVJQPQMQC-IBGZPJMESA-N 1 0 313.466 3.661 50 0 DHAARO Cc1ccc(F)c(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1F ZINC000952869896 1032668902 /nfs/dbraw/zinc/66/89/02/1032668902.db2.gz ONASXXYGQRNSRW-OAHLLOKOSA-N 1 0 307.388 3.674 50 0 DHAARO FC(F)Oc1ccc(CN2CCCC[C@H]2c2ncccn2)cc1 ZINC000952883199 1032672829 /nfs/dbraw/zinc/67/28/29/1032672829.db2.gz VEVJOWJSUOXAHP-HNNXBMFYSA-N 1 0 319.355 3.805 50 0 DHAARO CSC(C)(C)C[C@H](C)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000952970988 1032676834 /nfs/dbraw/zinc/67/68/34/1032676834.db2.gz XKXAUNVCHXEJSF-HNNXBMFYSA-N 1 0 317.502 3.925 50 0 DHAARO Cc1n[nH]c(C)c1C[N@@H+](Cc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000952978415 1032678988 /nfs/dbraw/zinc/67/89/88/1032678988.db2.gz XYUGPORECVATKA-SFHVURJKSA-N 1 0 313.445 3.516 50 0 DHAARO C[NH+](C)C1(CNCc2c(Cl)cncc2Cl)CCCCC1 ZINC000952982975 1032682289 /nfs/dbraw/zinc/68/22/89/1032682289.db2.gz RZWHUQXEZILZBS-UHFFFAOYSA-N 1 0 316.276 3.743 50 0 DHAARO Cc1cccc(NC(=O)CC[NH2+]Cc2ccc3c(ccn3C)c2)c1 ZINC000952985486 1032682983 /nfs/dbraw/zinc/68/29/83/1032682983.db2.gz HLSCLESJOCCCCG-UHFFFAOYSA-N 1 0 321.424 3.605 50 0 DHAARO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417332332 1017368374 /nfs/dbraw/zinc/36/83/74/1017368374.db2.gz XCUCJDPZSMCLOL-CWRNSKLLSA-N 1 0 324.453 3.611 50 0 DHAARO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000119005424 1018794382 /nfs/dbraw/zinc/79/43/82/1018794382.db2.gz YTMGJVWTVMWNPQ-HNNXBMFYSA-N 1 0 317.458 3.622 50 0 DHAARO O=C1CC[C@H]([NH2+]C2CCCCC2)CCN1CC1CCCCC1 ZINC000012039846 1019753489 /nfs/dbraw/zinc/75/34/89/1019753489.db2.gz UIPFNQKHECPKOW-SFHVURJKSA-N 1 0 306.494 3.870 50 0 DHAARO CCCOc1ccc(NC(=O)[C@@H]2CCCCC[N@@H+]2C)cc1Cl ZINC000822983434 1020385849 /nfs/dbraw/zinc/38/58/49/1020385849.db2.gz POTAFKPHTCKIJZ-HNNXBMFYSA-N 1 0 324.852 3.942 50 0 DHAARO COc1ccc(C[C@H](C)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000023280657 1020472186 /nfs/dbraw/zinc/47/21/86/1020472186.db2.gz DLSOTLCAYZNDAW-HNNXBMFYSA-N 1 0 311.425 3.693 50 0 DHAARO Cc1ccc(-c2cccc(CN3CC([NH+]4CCCCC4)C3)c2)o1 ZINC000825197942 1020631214 /nfs/dbraw/zinc/63/12/14/1020631214.db2.gz XCTOUMZXAJMXNP-UHFFFAOYSA-N 1 0 310.441 3.925 50 0 DHAARO O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000128478962 1021845013 /nfs/dbraw/zinc/84/50/13/1021845013.db2.gz SFGLLAVNPUXNJN-HXUWFJFHSA-N 1 0 320.436 3.586 50 0 DHAARO c1ccc([C@@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000155073012 1021879606 /nfs/dbraw/zinc/87/96/06/1021879606.db2.gz RVZINNJNWRJPKM-LJQANCHMSA-N 1 0 322.452 3.513 50 0 DHAARO O=C(Nc1ccccc1F)N1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000257179335 1022208769 /nfs/dbraw/zinc/20/87/69/1022208769.db2.gz COEJURBTHHVXGW-OAHLLOKOSA-N 1 0 319.424 3.698 50 0 DHAARO Cc1ccc(C[N@@H+]2CCCCCCNC(=O)[C@@H]3CCC[C@@H]32)s1 ZINC000257181113 1022212490 /nfs/dbraw/zinc/21/24/90/1022212490.db2.gz MKCQHCSPYPNLFK-SJORKVTESA-N 1 0 320.502 3.717 50 0 DHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000007849918 1022567094 /nfs/dbraw/zinc/56/70/94/1022567094.db2.gz NRFJBOASGOIDSW-UHFFFAOYSA-N 1 0 308.425 3.603 50 0 DHAARO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000236695564 1022791656 /nfs/dbraw/zinc/79/16/56/1022791656.db2.gz IRBDOTHNVCBXSV-JTQLQIEISA-N 1 0 317.260 3.936 50 0 DHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccccc1 ZINC000048367725 1023743871 /nfs/dbraw/zinc/74/38/71/1023743871.db2.gz IHYQDRYYGZADGN-MRXNPFEDSA-N 1 0 300.427 3.914 50 0 DHAARO C[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1cccnc1 ZINC000048683251 1023804119 /nfs/dbraw/zinc/80/41/19/1023804119.db2.gz ATAFJXXHHNPNRC-ZDUSSCGKSA-N 1 0 312.804 3.772 50 0 DHAARO C[C@H]([NH2+][C@H]1CCC12CCCC2)c1ccc(N2CCNC2=O)cc1 ZINC000786924869 1024255290 /nfs/dbraw/zinc/25/52/90/1024255290.db2.gz AWJDSKGODOJBCP-YOEHRIQHSA-N 1 0 313.445 3.590 50 0 DHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)Nc1ccccc1 ZINC000012355571 1024504614 /nfs/dbraw/zinc/50/46/14/1024504614.db2.gz PGVWOJHAEYVEPT-MRXNPFEDSA-N 1 0 315.442 3.707 50 0 DHAARO Fc1ccc(N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000006667624 1024924307 /nfs/dbraw/zinc/92/43/07/1024924307.db2.gz HTRPIRCFCUOPDK-HXUWFJFHSA-N 1 0 310.416 3.505 50 0 DHAARO C[C@H]1OP2(C[NH+]3CCCCCC3)(O[C@H]1C)O[C@@H](C)[C@H](C)O2 ZINC000005528448 1025245136 /nfs/dbraw/zinc/24/51/36/1025245136.db2.gz TXBMKILWBITVSU-ZQDZILKHSA-N 1 0 319.382 3.681 50 0 DHAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC000089274690 1026027052 /nfs/dbraw/zinc/02/70/52/1026027052.db2.gz VCEGBPKEJZPIMG-UYZIEWPDSA-N 1 0 321.530 3.925 50 0 DHAARO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2)on1 ZINC000052010260 1026101891 /nfs/dbraw/zinc/10/18/91/1026101891.db2.gz BNGGLLHEJSDTGP-CABCVRRESA-N 1 0 306.793 3.507 50 0 DHAARO COCc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)o1 ZINC000131414509 1028547086 /nfs/dbraw/zinc/54/70/86/1028547086.db2.gz QHNVDRHQCQQKOF-QGZVFWFLSA-N 1 0 319.376 3.781 50 0 DHAARO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cnc3n1CCCC3)CCCO2 ZINC000585081438 1029626815 /nfs/dbraw/zinc/62/68/15/1029626815.db2.gz HWTUEPAMSWZZRX-QGZVFWFLSA-N 1 0 311.429 3.531 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)[C@H](C)OCc1ccccc1 ZINC000585093639 1029737380 /nfs/dbraw/zinc/73/73/80/1029737380.db2.gz UIDSVGUKZLKINS-ILRDRHFLSA-N 1 0 303.446 3.527 50 0 DHAARO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccncc1 ZINC000152530426 1037395975 /nfs/dbraw/zinc/39/59/75/1037395975.db2.gz PMWVOECNYIDDLZ-PCVOSPCESA-N 1 0 321.424 3.565 50 0 DHAARO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000170639915 1037781775 /nfs/dbraw/zinc/78/17/75/1037781775.db2.gz KPASLKOVPMPANV-AQFXKWCLSA-N 1 0 306.494 3.726 50 0 DHAARO Oc1ccc(C2=CC[N@H+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000171945100 1039678359 /nfs/dbraw/zinc/67/83/59/1039678359.db2.gz GARLBMKXMPYPNM-UHFFFAOYSA-N 1 0 307.393 3.616 50 0 DHAARO c1ccc(OCC[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000257174626 1040683692 /nfs/dbraw/zinc/68/36/92/1040683692.db2.gz IZIKFXYFLCSDOV-KRWDZBQOSA-N 1 0 323.436 3.913 50 0 DHAARO Cc1noc(CCC[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000078971002 185137625 /nfs/dbraw/zinc/13/76/25/185137625.db2.gz WHNBNJYPCKYWTM-LRDDRELGSA-N 1 0 315.417 3.692 50 0 DHAARO Cc1cc(C)n2c(C[NH2+][C@@H](C)c3cccc(Cl)c3)cnc2n1 ZINC000078998791 185144151 /nfs/dbraw/zinc/14/41/51/185144151.db2.gz VWECVNIRQXOJJD-ZDUSSCGKSA-N 1 0 314.820 3.850 50 0 DHAARO Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1F ZINC000082166295 185174507 /nfs/dbraw/zinc/17/45/07/185174507.db2.gz WGEOFGMOOGKYLC-KRWDZBQOSA-N 1 0 318.436 3.615 50 0 DHAARO CCNc1cc[nH+]c(CN(C)[C@@H](C)c2cc(F)ccc2F)c1 ZINC000089977919 185273357 /nfs/dbraw/zinc/27/33/57/185273357.db2.gz JEALVYMEQKGOQV-LBPRGKRZSA-N 1 0 305.372 3.985 50 0 DHAARO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000089960838 185272076 /nfs/dbraw/zinc/27/20/76/185272076.db2.gz WAEYGHIAANSRHR-QGZVFWFLSA-N 1 0 316.832 3.649 50 0 DHAARO OC[C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000090728272 185311408 /nfs/dbraw/zinc/31/14/08/185311408.db2.gz YAFYNSAZZKZZSR-FKHAVUOCSA-N 1 0 315.416 3.655 50 0 DHAARO CC[C@H](C)[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000007015574 190627425 /nfs/dbraw/zinc/62/74/25/190627425.db2.gz SLEVKNBKEAGVQC-UONOGXRCSA-N 1 0 313.869 3.900 50 0 DHAARO CCSc1ccccc1NC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000095407645 185356328 /nfs/dbraw/zinc/35/63/28/185356328.db2.gz URWDNHMFHXDPIY-CQSZACIVSA-N 1 0 321.490 3.604 50 0 DHAARO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(-n3cncn3)cc1)CC2 ZINC000095419442 185359870 /nfs/dbraw/zinc/35/98/70/185359870.db2.gz FTSVKBAMOFXCJD-YWZLYKJASA-N 1 0 318.424 3.914 50 0 DHAARO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCc2csc(C)n2)cc1 ZINC000095419967 185360258 /nfs/dbraw/zinc/36/02/58/185360258.db2.gz IDQRGRWYHBZGDT-CHWSQXEVSA-N 1 0 304.459 3.784 50 0 DHAARO COC(=O)CC1([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000095453402 185369548 /nfs/dbraw/zinc/36/95/48/185369548.db2.gz ZNWCPXSYALLPKP-IAGOWNOFSA-N 1 0 301.430 3.646 50 0 DHAARO Cc1cc([C@@H](C)[NH2+]CC(=O)NCC2CCCCC2)c(C)s1 ZINC000095462575 185371143 /nfs/dbraw/zinc/37/11/43/185371143.db2.gz VOBYNFDRATZYDZ-CYBMUJFWSA-N 1 0 308.491 3.712 50 0 DHAARO O=C(NC1CC1)[C@H](Cc1ccccc1)[NH2+]C1CCCCCCC1 ZINC000095463517 185371190 /nfs/dbraw/zinc/37/11/90/185371190.db2.gz ONKLBKSDDIMOIY-IBGZPJMESA-N 1 0 314.473 3.579 50 0 DHAARO Cc1c(C(=O)O[C@H](C)c2cccnc2)ccc2c[nH+]c(C3CC3)n21 ZINC000095468954 185372350 /nfs/dbraw/zinc/37/23/50/185372350.db2.gz ICRWWXXBFVJOSA-CYBMUJFWSA-N 1 0 321.380 3.833 50 0 DHAARO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000102841560 185423120 /nfs/dbraw/zinc/42/31/20/185423120.db2.gz GOJANQILHWLMMS-INDMIFKZSA-N 1 0 311.510 3.557 50 0 DHAARO C[C@H](C(=O)N(C)Cc1ccc(Cl)s1)[C@@H]([NH3+])c1ccccc1 ZINC000130223860 185947594 /nfs/dbraw/zinc/94/75/94/185947594.db2.gz OVVXCPMYEKRURL-XHDPSFHLSA-N 1 0 322.861 3.696 50 0 DHAARO COc1ccc(-c2nc(C[NH+]3CCCC3)c(C)o2)c(OC)c1C ZINC000071754692 191024747 /nfs/dbraw/zinc/02/47/47/191024747.db2.gz FHXQGGUUKUTXTE-UHFFFAOYSA-N 1 0 316.401 3.571 50 0 DHAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000071767064 191028709 /nfs/dbraw/zinc/02/87/09/191028709.db2.gz FFEVEWPSMCPLDX-UXHICEINSA-N 1 0 309.409 3.912 50 0 DHAARO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCc3ccccn3)nc2c1 ZINC000072121880 191040511 /nfs/dbraw/zinc/04/05/11/191040511.db2.gz UOBYNUKHJMZAIW-GOSISDBHSA-N 1 0 306.413 3.646 50 0 DHAARO O=C(Nc1cnc2ccccc2c1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072127391 191042759 /nfs/dbraw/zinc/04/27/59/191042759.db2.gz KOAIGAXBEPYIHQ-OAHLLOKOSA-N 1 0 317.392 3.564 50 0 DHAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1cncn1C1CCCCC1 ZINC000072127482 191043902 /nfs/dbraw/zinc/04/39/02/191043902.db2.gz GVPNXSOARAWYFA-KRWDZBQOSA-N 1 0 318.509 3.695 50 0 DHAARO CS[C@@H](C)CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000072132991 191044409 /nfs/dbraw/zinc/04/44/09/191044409.db2.gz HTIXTNUXTKKTKI-AWEZNQCLSA-N 1 0 312.910 3.599 50 0 DHAARO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCOC(C)(C)C1 ZINC000072133130 191045326 /nfs/dbraw/zinc/04/53/26/191045326.db2.gz LYLREBBJNLDOTL-INIZCTEOSA-N 1 0 313.445 3.509 50 0 DHAARO Cc1cccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccnc4)C3)nc21 ZINC000072156608 191058699 /nfs/dbraw/zinc/05/86/99/191058699.db2.gz FOTSGSMLCDHARM-MRXNPFEDSA-N 1 0 306.413 3.646 50 0 DHAARO Cc1cccc2[nH]c([C@H]3CCC[N@H+](Cc4cccnc4)C3)nc21 ZINC000072156610 191059361 /nfs/dbraw/zinc/05/93/61/191059361.db2.gz FOTSGSMLCDHARM-INIZCTEOSA-N 1 0 306.413 3.646 50 0 DHAARO Cc1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)oc1C ZINC000072154058 191059770 /nfs/dbraw/zinc/05/97/70/191059770.db2.gz CKDPJAQKBNPFDD-UHFFFAOYSA-N 1 0 316.420 3.743 50 0 DHAARO Cc1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1Cl ZINC000225584589 186280469 /nfs/dbraw/zinc/28/04/69/186280469.db2.gz UYCVTTBXJJVEQN-INIZCTEOSA-N 1 0 323.864 3.666 50 0 DHAARO C[NH+](C)[C@H](CNc1ccc2cc[nH]c2n1)c1ccccc1Cl ZINC000072417772 191155957 /nfs/dbraw/zinc/15/59/57/191155957.db2.gz PVEBNHXJCSAMPW-OAHLLOKOSA-N 1 0 314.820 3.931 50 0 DHAARO CCN1CC2(CC[NH+](Cc3ccc(C(C)C)cc3)CC2)OC1=O ZINC000072432051 191164700 /nfs/dbraw/zinc/16/47/00/191164700.db2.gz PHILHEOAOXHESP-UHFFFAOYSA-N 1 0 316.445 3.617 50 0 DHAARO Cc1ccc(-c2csc3ncnc(NCC[NH+](C)C)c23)cc1 ZINC000003346730 181009720 /nfs/dbraw/zinc/00/97/20/181009720.db2.gz IJKQKKJIJUNBLQ-UHFFFAOYSA-N 1 0 312.442 3.640 50 0 DHAARO C[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000003351157 181010676 /nfs/dbraw/zinc/01/06/76/181010676.db2.gz MYSYVLIMJRJIFS-UHFFFAOYSA-N 1 0 311.816 3.971 50 0 DHAARO CCCCOc1ccc(C(=O)O[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000003902193 181054838 /nfs/dbraw/zinc/05/48/38/181054838.db2.gz RIKXLROQYQSOHV-RLFYNMQTSA-N 1 0 319.445 3.751 50 0 DHAARO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OC ZINC000004031006 181065277 /nfs/dbraw/zinc/06/52/77/181065277.db2.gz FXLDUJNHJLDWOL-UHFFFAOYSA-N 1 0 301.430 3.762 50 0 DHAARO CCCC[C@@H](C(=O)Nc1ccc2c(c1)C[C@H](C)O2)[NH+](CC)CC ZINC000004063958 181068499 /nfs/dbraw/zinc/06/84/99/181068499.db2.gz VCXCSUROFHCUQZ-YOEHRIQHSA-N 1 0 318.461 3.849 50 0 biogenic DHAARO CCCCN(C(=O)c1ccc(F)cc1)C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000004270567 181089967 /nfs/dbraw/zinc/08/99/67/181089967.db2.gz FPNVTFWFUHBNPU-SJORKVTESA-N 1 0 316.420 3.818 50 0 DHAARO O[C@@H](C[NH2+]C1CCCCCC1)COc1ccc2ccccc2c1 ZINC000004662385 181133469 /nfs/dbraw/zinc/13/34/69/181133469.db2.gz FOVLMISMFUZBLO-IBGZPJMESA-N 1 0 313.441 3.892 50 0 DHAARO C[N@H+](CCOC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000004680287 181136316 /nfs/dbraw/zinc/13/63/16/181136316.db2.gz PXLUSLQEYUVNGV-UHFFFAOYSA-N 1 0 304.217 3.881 50 0 DHAARO Cc1cc(C)cc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000004682538 181136517 /nfs/dbraw/zinc/13/65/17/181136517.db2.gz AKQVGTOQORTBRL-UHFFFAOYSA-N 1 0 319.518 3.899 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004833933 181159622 /nfs/dbraw/zinc/15/96/22/181159622.db2.gz OOUWLKQIFUITQD-YPMHNXCESA-N 1 0 318.244 3.608 50 0 DHAARO Cc1ccc2c(c1)[C@H](c1ccccc1)[C@@H]([NH+]1CCCCC1)C(=O)N2 ZINC000004889064 181168638 /nfs/dbraw/zinc/16/86/38/181168638.db2.gz QEGHIXFHUNLHMD-VQTJNVASSA-N 1 0 320.436 3.934 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccc(SC)cc2)cc1OC ZINC000004891835 181168934 /nfs/dbraw/zinc/16/89/34/181168934.db2.gz WXMYNBWRJAQKFF-UHFFFAOYSA-N 1 0 303.427 3.716 50 0 DHAARO O=C(Cc1ccc(F)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000004869225 181166485 /nfs/dbraw/zinc/16/64/85/181166485.db2.gz XWUPABJEDZFODB-UHFFFAOYSA-N 1 0 312.388 3.603 50 0 DHAARO C[C@H](O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942919 181177040 /nfs/dbraw/zinc/17/70/40/181177040.db2.gz PBINHKISSDLYSG-VIFPVBQESA-N 1 0 300.185 3.724 50 0 DHAARO COc1cc2c(cc1OC)C[N@H+](C[C@H](C)c1ccccc1)CC2 ZINC000004988031 181184959 /nfs/dbraw/zinc/18/49/59/181184959.db2.gz KJZLJRUWEDNIIV-HNNXBMFYSA-N 1 0 311.425 3.866 50 0 DHAARO Cc1cc(OC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)ccc1C(C)C ZINC000005028973 181193058 /nfs/dbraw/zinc/19/30/58/181193058.db2.gz OJDWWRKFGQIMLD-DOTOQJQBSA-N 1 0 305.462 3.590 50 0 DHAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)[NH2+]CC2 ZINC000005030749 181194141 /nfs/dbraw/zinc/19/41/41/181194141.db2.gz ACIPGBAJNWOPTK-GLQYFDAESA-N 1 0 300.229 3.949 50 0 DHAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000005073468 181201326 /nfs/dbraw/zinc/20/13/26/181201326.db2.gz FXAIWIDYRBAWFK-WMLDXEAASA-N 1 0 319.832 3.739 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000005186281 181215158 /nfs/dbraw/zinc/21/51/58/181215158.db2.gz KXPRFOGIFRLJDK-OKILXGFUSA-N 1 0 311.425 3.760 50 0 biogenic DHAARO CCCCCC[C@@H](CC(=O)NCCC[NH+](C)C)c1ccco1 ZINC000005347693 181233103 /nfs/dbraw/zinc/23/31/03/181233103.db2.gz GWSUOLBPMUEULM-INIZCTEOSA-N 1 0 308.466 3.792 50 0 DHAARO CC[N@H+](Cc1ccc(C(=O)N2CCC(C)(C)C2)cc1)C(C)C ZINC000081350614 192254340 /nfs/dbraw/zinc/25/43/40/192254340.db2.gz GKVKATGTCFQTIA-UHFFFAOYSA-N 1 0 302.462 3.789 50 0 DHAARO Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000085479445 192513645 /nfs/dbraw/zinc/51/36/45/192513645.db2.gz OBYVNNRCOTWGQT-QGZVFWFLSA-N 1 0 318.436 3.615 50 0 DHAARO O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000237849413 202369007 /nfs/dbraw/zinc/36/90/07/202369007.db2.gz BJXYCWXTDQNWHN-GFCCVEGCSA-N 1 0 318.779 3.694 50 0 DHAARO CCCCCC[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000006203366 181319047 /nfs/dbraw/zinc/31/90/47/181319047.db2.gz DCQWIQZESRZBCZ-UHFFFAOYSA-N 1 0 316.489 3.638 50 0 DHAARO COc1cc([C@H]2CCCCC[NH2+]2)cc(Br)c1OC ZINC000006658176 181366808 /nfs/dbraw/zinc/36/68/08/181366808.db2.gz QLMHUSJRHZIQJO-GFCCVEGCSA-N 1 0 314.223 3.671 50 0 DHAARO CCOC(=O)C1CC[NH+](CCC(C)(C)c2ccc(C)o2)CC1 ZINC000006682021 181370695 /nfs/dbraw/zinc/37/06/95/181370695.db2.gz CMTHIOSXRDMGAT-UHFFFAOYSA-N 1 0 307.434 3.531 50 0 DHAARO O=C(NCC[NH+]1CCCCC1)Nc1cccc(Cl)c1Cl ZINC000006698648 181371903 /nfs/dbraw/zinc/37/19/03/181371903.db2.gz MAEVNNAEOOHAQS-UHFFFAOYSA-N 1 0 316.232 3.601 50 0 DHAARO Cc1c[nH+]ccc1NCCn1cc(-c2ccc3occc3c2)nn1 ZINC000091587116 193075986 /nfs/dbraw/zinc/07/59/86/193075986.db2.gz MBSZMLILYGSSDS-UHFFFAOYSA-N 1 0 319.368 3.507 50 0 DHAARO C[C@@H]1C[N@H+](Cc2cc(C3CCCCC3)no2)CC[C@@]1(O)C1CC1 ZINC000091486145 193062187 /nfs/dbraw/zinc/06/21/87/193062187.db2.gz MXUMUCSHBLBKFQ-KUHUBIRLSA-N 1 0 318.461 3.705 50 0 DHAARO CCCCOC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091649727 193084636 /nfs/dbraw/zinc/08/46/36/193084636.db2.gz DUFADSVWPYFKAX-QZTJIDSGSA-N 1 0 316.445 3.520 50 0 DHAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)c(C)c1)CC2 ZINC000091745814 193100159 /nfs/dbraw/zinc/10/01/59/193100159.db2.gz IDICNKRASSDNEN-UHFFFAOYSA-N 1 0 314.473 3.528 50 0 DHAARO CC(C)[C@H]([NH2+]CCSC(C)(C)C)c1nnc2ccccn21 ZINC000252491808 202849395 /nfs/dbraw/zinc/84/93/95/202849395.db2.gz LTRYPENVJNSGGR-AWEZNQCLSA-N 1 0 306.479 3.548 50 0 DHAARO C[C@@H](C1CCN(c2ncc(Cl)cc2F)CC1)[NH+]1CCCC1 ZINC000095368673 563529376 /nfs/dbraw/zinc/52/93/76/563529376.db2.gz FXDMAPNRHXXTLX-LBPRGKRZSA-N 1 0 311.832 3.575 50 0 DHAARO C[C@H](OCCC[NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000096476442 193661997 /nfs/dbraw/zinc/66/19/97/193661997.db2.gz QHTXLTLCMSNBFM-YJBOKZPZSA-N 1 0 313.445 3.555 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCCCCC2)c2ccc(F)cc12 ZINC000012422002 181760490 /nfs/dbraw/zinc/76/04/90/181760490.db2.gz ZJSGOLHUUGGVCI-KRWDZBQOSA-N 1 0 318.436 3.634 50 0 DHAARO COc1ccccc1[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000012909032 181810042 /nfs/dbraw/zinc/81/00/42/181810042.db2.gz KHNWIUNHTKQBTG-HNNXBMFYSA-N 1 0 307.397 3.732 50 0 DHAARO CC[C@H](C)c1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000013775554 181894546 /nfs/dbraw/zinc/89/45/46/181894546.db2.gz QJKVYXBBYWHJTG-ZDUSSCGKSA-N 1 0 305.491 3.581 50 0 DHAARO COc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C)CC3)o2)cc1 ZINC000015471043 182004302 /nfs/dbraw/zinc/00/43/02/182004302.db2.gz LDCZOMBMNRJIKE-CYBMUJFWSA-N 1 0 301.390 3.538 50 0 DHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837358 182020519 /nfs/dbraw/zinc/02/05/19/182020519.db2.gz VSMXKMOCLOTMTM-SFHVURJKSA-N 1 0 313.372 3.949 50 0 DHAARO Cc1ccc(-c2c[n+](CCc3ccccc3)c3n2CCC3)cc1 ZINC000017207955 182080134 /nfs/dbraw/zinc/08/01/34/182080134.db2.gz SEHMUYJZWUIGPG-UHFFFAOYSA-N 1 0 303.429 3.940 50 0 DHAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC ZINC000019720990 182138261 /nfs/dbraw/zinc/13/82/61/182138261.db2.gz OBVWBDITPKEGGJ-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO C[N@H+](CCc1ccccn1)Cc1ccc(Br)cc1 ZINC000019607106 182133030 /nfs/dbraw/zinc/13/30/30/182133030.db2.gz QALWBFOQSRNSCP-UHFFFAOYSA-N 1 0 305.219 3.519 50 0 DHAARO Cc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019781800 182147831 /nfs/dbraw/zinc/14/78/31/182147831.db2.gz MMVPYXCNKXAPRA-UHFFFAOYSA-N 1 0 314.860 3.966 50 0 DHAARO Fc1ccccc1CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019781912 182148197 /nfs/dbraw/zinc/14/81/97/182148197.db2.gz XRJFCKVVVAVUIJ-UHFFFAOYSA-N 1 0 323.415 3.625 50 0 DHAARO CCc1ccc(CN2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000019842346 182156039 /nfs/dbraw/zinc/15/60/39/182156039.db2.gz OWELGTCZVOEWNG-UHFFFAOYSA-N 1 0 308.469 3.875 50 0 DHAARO O[C@]1(c2cccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000019799082 182151478 /nfs/dbraw/zinc/15/14/78/182151478.db2.gz YYEKMBYFVPXXMN-OAQYLSRUSA-N 1 0 303.405 3.933 50 0 DHAARO CCn1c2ccccc2c2cc(CN(C)CC[NH+](C)C)ccc21 ZINC000019832429 182155080 /nfs/dbraw/zinc/15/50/80/182155080.db2.gz LKMBQIHFVOGPTF-UHFFFAOYSA-N 1 0 309.457 3.808 50 0 DHAARO CC1CCC([NH+]2CCN(CCCc3ccccc3)CC2)CC1 ZINC000019900105 182162063 /nfs/dbraw/zinc/16/20/63/182162063.db2.gz OKTJACYBBMUWKW-UHFFFAOYSA-N 1 0 300.490 3.816 50 0 DHAARO Cc1c(Cl)ccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000020166795 182194007 /nfs/dbraw/zinc/19/40/07/182194007.db2.gz YHGJQJCCMSIEOH-STQMWFEESA-N 1 0 311.853 3.835 50 0 DHAARO Cc1c(Cl)ccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000020166793 182194014 /nfs/dbraw/zinc/19/40/14/182194014.db2.gz YHGJQJCCMSIEOH-CHWSQXEVSA-N 1 0 311.853 3.835 50 0 DHAARO O=C(C[C@@H]1[NH2+]CCc2ccccc21)Nc1cccc(Cl)c1 ZINC000020404867 182215132 /nfs/dbraw/zinc/21/51/32/182215132.db2.gz YTWCWCMSJVIGPX-INIZCTEOSA-N 1 0 300.789 3.556 50 0 DHAARO Clc1ccc(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)o2)cc1 ZINC000020477283 182221891 /nfs/dbraw/zinc/22/18/91/182221891.db2.gz CSURTDXXXYAHNH-KRWDZBQOSA-N 1 0 316.832 3.784 50 0 DHAARO O=C(c1ccccc1F)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170582 182268338 /nfs/dbraw/zinc/26/83/38/182268338.db2.gz IDENQCILGUNOTG-MRXNPFEDSA-N 1 0 318.436 3.696 50 0 DHAARO CC(C)CC[C@@]1(CC[NH+]2CCN(C)CC2)CCO[C@@H](C(C)C)C1 ZINC000022931921 182341783 /nfs/dbraw/zinc/34/17/83/182341783.db2.gz IPORIWFJIBWFBV-WOJBJXKFSA-N 1 0 324.553 3.882 50 0 DHAARO CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000024976636 182396662 /nfs/dbraw/zinc/39/66/62/182396662.db2.gz JGXJDIYQCJGMBO-UHFFFAOYSA-N 1 0 322.880 3.857 50 0 DHAARO C[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(CC3CCCCC3)CC2)C1 ZINC000039420945 183018749 /nfs/dbraw/zinc/01/87/49/183018749.db2.gz ZSKMVIFDUUCSKA-SJLPKXTDSA-N 1 0 306.494 3.680 50 0 DHAARO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000040152246 183040102 /nfs/dbraw/zinc/04/01/02/183040102.db2.gz HNGLCHLPODEQCD-UHFFFAOYSA-N 1 0 321.440 3.802 50 0 DHAARO COc1ccc2cc(C[NH2+]Cc3ccc(N(C)C)nc3)ccc2c1 ZINC000042227478 183244922 /nfs/dbraw/zinc/24/49/22/183244922.db2.gz SQRDOZAQYQPQKV-UHFFFAOYSA-N 1 0 321.424 3.599 50 0 DHAARO CC(C)(C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774767 183307457 /nfs/dbraw/zinc/30/74/57/183307457.db2.gz ZKCOQRLXBYJZCY-LBPRGKRZSA-N 1 0 312.251 3.877 50 0 DHAARO C[C@@H](CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000106088390 194186077 /nfs/dbraw/zinc/18/60/77/194186077.db2.gz NYEWLKFVPFIXQH-KURKYZTESA-N 1 0 316.489 3.664 50 0 DHAARO CC[NH+]1CCC(CC(=O)N(Cc2ccsc2)CC(C)C)CC1 ZINC000055120102 183965637 /nfs/dbraw/zinc/96/56/37/183965637.db2.gz UNHFZGSHAHNVJC-UHFFFAOYSA-N 1 0 322.518 3.855 50 0 DHAARO CCCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000056284062 184009070 /nfs/dbraw/zinc/00/90/70/184009070.db2.gz PZFSHYAAXYIAND-CQSZACIVSA-N 1 0 306.425 3.515 50 0 DHAARO COc1cc(OC)c(OC)cc1C[NH2+]C(C)(C)c1ccccc1 ZINC000057994459 184065332 /nfs/dbraw/zinc/06/53/32/184065332.db2.gz PNNQAQOJAPRJGE-UHFFFAOYSA-N 1 0 315.413 3.737 50 0 DHAARO CC[NH+](CC)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000058012641 184066761 /nfs/dbraw/zinc/06/67/61/184066761.db2.gz LKXJGZRJDPAFSP-GOSISDBHSA-N 1 0 318.461 3.527 50 0 DHAARO C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000058169742 184084094 /nfs/dbraw/zinc/08/40/94/184084094.db2.gz FUQHGKVGEAGGGG-JYJNAYRXSA-N 1 0 308.425 3.704 50 0 DHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000058183708 184085728 /nfs/dbraw/zinc/08/57/28/184085728.db2.gz CYAZDZCKJXCXFN-BFYDXBDKSA-N 1 0 301.434 3.556 50 0 DHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccccc1 ZINC000058151851 184081334 /nfs/dbraw/zinc/08/13/34/184081334.db2.gz MDQVMYNJNDVBHW-UHFFFAOYSA-N 1 0 305.425 3.838 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000058160744 184082271 /nfs/dbraw/zinc/08/22/71/184082271.db2.gz WOMYCCHEVCKNIG-WDEREUQCSA-N 1 0 322.330 3.782 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2ccccc2SC(C)C)CC1 ZINC000058367278 184109368 /nfs/dbraw/zinc/10/93/68/184109368.db2.gz WTVGZQFMRSHUQO-UHFFFAOYSA-N 1 0 320.502 3.791 50 0 DHAARO Cc1sc2ncnc(NC3CC[NH+](CC(C)C)CC3)c2c1C ZINC000058581385 184123542 /nfs/dbraw/zinc/12/35/42/184123542.db2.gz NWJLJXKGZDJZOQ-UHFFFAOYSA-N 1 0 318.490 3.840 50 0 DHAARO CC[NH+](CC)[C@@H](CNc1ncnc2ccsc21)CC(C)C ZINC000058621084 184125042 /nfs/dbraw/zinc/12/50/42/184125042.db2.gz CDJQXCYKZDWLDN-CYBMUJFWSA-N 1 0 306.479 3.860 50 0 DHAARO CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1(C)C ZINC000060394971 184148640 /nfs/dbraw/zinc/14/86/40/184148640.db2.gz WVGWJHYRHCAOQV-QZTJIDSGSA-N 1 0 320.521 3.804 50 0 DHAARO O=C1N(c2ccccc2)CC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000059711461 184140128 /nfs/dbraw/zinc/14/01/28/184140128.db2.gz NBNIVFPKFYATOR-OAQYLSRUSA-N 1 0 320.436 3.706 50 0 DHAARO c1c(C[NH2+]C2CCCC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000061003335 184159485 /nfs/dbraw/zinc/15/94/85/184159485.db2.gz HAHJRZHTNBZLNY-UHFFFAOYSA-N 1 0 318.424 3.967 50 0 DHAARO CC(C)(C)c1ncc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000062838820 184255521 /nfs/dbraw/zinc/25/55/21/184255521.db2.gz HVOHVYDGHWHMSQ-UHFFFAOYSA-N 1 0 309.523 3.839 50 0 DHAARO C[C@H](c1cccc(-c2ccc(NC(=O)C3CC3)nc2)c1)[NH+](C)C ZINC000065405881 184338841 /nfs/dbraw/zinc/33/88/41/184338841.db2.gz YTLMXXQUDQOCED-CYBMUJFWSA-N 1 0 309.413 3.720 50 0 DHAARO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000065528306 184360298 /nfs/dbraw/zinc/36/02/98/184360298.db2.gz BERYOWOKMRUKCR-OFGIBPIPSA-N 1 0 318.505 3.582 50 0 DHAARO FC(F)Sc1ccccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065541962 184364072 /nfs/dbraw/zinc/36/40/72/184364072.db2.gz WIDWDKBBZYOUKT-CQSZACIVSA-N 1 0 312.429 3.671 50 0 DHAARO Fc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1Oc1ccccc1 ZINC000066088631 184388159 /nfs/dbraw/zinc/38/81/59/184388159.db2.gz SESTWVZDZQMAQW-KRWDZBQOSA-N 1 0 309.344 3.576 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3CCC3)cc2)C1 ZINC000048310576 256536364 /nfs/dbraw/zinc/53/63/64/256536364.db2.gz QQEHWZNRRHTHJN-HOTGVXAUSA-N 1 0 314.473 3.581 50 0 DHAARO Cc1ccc(-c2csc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)s1 ZINC000363447685 257234937 /nfs/dbraw/zinc/23/49/37/257234937.db2.gz WAFQKRCVMDREHJ-AAEUAGOBSA-N 1 0 306.456 3.716 50 0 DHAARO CCC[C@@H]1CCCN1C(=O)c1ccc(-c2cc(N)cc[nH+]2)cc1 ZINC000426359997 257253148 /nfs/dbraw/zinc/25/31/48/257253148.db2.gz UPGFXDLMLVOWIR-QGZVFWFLSA-N 1 0 309.413 3.736 50 0 DHAARO CC(C)Oc1ccc([C@@H](C)[NH2+]CCn2ccnc2)cc1Cl ZINC000284461672 131082840 /nfs/dbraw/zinc/08/28/40/131082840.db2.gz TXOIAXMEJDXCLE-CYBMUJFWSA-N 1 0 307.825 3.675 50 0 DHAARO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(OC(F)F)cc1 ZINC000340450244 131793989 /nfs/dbraw/zinc/79/39/89/131793989.db2.gz PZJVACDAFWAVAI-GHMZBOCLSA-N 1 0 308.328 3.800 50 0 DHAARO Cc1ccc(C)c(N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000004981231 134467235 /nfs/dbraw/zinc/46/72/35/134467235.db2.gz SOSROSOPGZRZNB-OAQYLSRUSA-N 1 0 320.480 3.983 50 0 DHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCC(C)C)cc2C)CC1 ZINC000024975375 134661784 /nfs/dbraw/zinc/66/17/84/134661784.db2.gz ZLVURWJKORGRMJ-UHFFFAOYSA-N 1 0 317.477 3.512 50 0 DHAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000534574484 334287676 /nfs/dbraw/zinc/28/76/76/334287676.db2.gz WHGIMXVKOAHTCN-LBPRGKRZSA-N 1 0 308.853 3.612 50 0 DHAARO C[NH+](C)Cc1cccc(C(=O)Nc2ccc3scnc3c2)c1 ZINC000172619680 337130390 /nfs/dbraw/zinc/13/03/90/337130390.db2.gz ITDWZWUPHSJQHZ-UHFFFAOYSA-N 1 0 311.410 3.610 50 0 DHAARO Cn1c(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)nnc1C1CCC1 ZINC000133668364 337383249 /nfs/dbraw/zinc/38/32/49/337383249.db2.gz WRYWXIHDQRCXCU-SJORKVTESA-N 1 0 310.445 3.509 50 0 DHAARO CC[C@@H](C(=O)N1CCC[C@@H](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000225802380 563763893 /nfs/dbraw/zinc/76/38/93/563763893.db2.gz FNQHQBXDKHTKCX-AEFFLSMTSA-N 1 0 302.462 3.546 50 0 DHAARO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC000089289566 563884004 /nfs/dbraw/zinc/88/40/04/563884004.db2.gz BBYWKWKILHRDLS-CYBMUJFWSA-N 1 0 302.443 3.817 50 0 DHAARO CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000010474503 563357674 /nfs/dbraw/zinc/35/76/74/563357674.db2.gz RKRFXVCBJPNMJU-LLVKDONJSA-N 1 0 304.217 3.661 50 0 DHAARO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000071882092 563211529 /nfs/dbraw/zinc/21/15/29/563211529.db2.gz JLCKUUIPVBODSH-RYUDHWBXSA-N 1 0 316.430 3.647 50 0 DHAARO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(Cl)cc1Cl ZINC000000383061 563248152 /nfs/dbraw/zinc/24/81/52/563248152.db2.gz IILDXKCGGVSCJN-JTQLQIEISA-N 1 0 302.201 3.635 50 0 DHAARO OCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000002178085 563301654 /nfs/dbraw/zinc/30/16/54/563301654.db2.gz GXEKCEZPJKBONE-UHFFFAOYSA-N 1 0 319.832 3.781 50 0 DHAARO CCOC(=O)CCCCC(=O)c1ccccc1C[NH+]1CCCC1 ZINC000002515593 563305987 /nfs/dbraw/zinc/30/59/87/563305987.db2.gz DRTCWRPRZXAXCK-UHFFFAOYSA-N 1 0 317.429 3.589 50 0 DHAARO O=C(c1cc(F)cc(F)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515587 563306200 /nfs/dbraw/zinc/30/62/00/563306200.db2.gz XUKVWLMOYONVKL-UHFFFAOYSA-N 1 0 301.336 3.792 50 0 DHAARO CCC[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)CC1CC1 ZINC000002765271 563312885 /nfs/dbraw/zinc/31/28/85/563312885.db2.gz YPHQXBPXFYXBON-UHFFFAOYSA-N 1 0 300.446 3.626 50 0 DHAARO O=C(c1ccccc1Cl)N1CCC([NH+]2CCCCCC2)CC1 ZINC000002784611 563313061 /nfs/dbraw/zinc/31/30/61/563313061.db2.gz CAUYSMVAVCSJFP-UHFFFAOYSA-N 1 0 320.864 3.821 50 0 DHAARO Cc1cc(C)c(C)c(OCCOCC[NH+]2CCC(C)CC2)c1 ZINC000002956378 563318332 /nfs/dbraw/zinc/31/83/32/563318332.db2.gz MUPIVVKBSMWHOW-UHFFFAOYSA-N 1 0 305.462 3.739 50 0 DHAARO Cc1cccc(C(C)(C)C)c1OCCOCC[NH+]1CCCC1 ZINC000003000357 563320444 /nfs/dbraw/zinc/32/04/44/563320444.db2.gz UXUBTDNKBPEAQW-UHFFFAOYSA-N 1 0 305.462 3.784 50 0 DHAARO Cc1cccc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1C ZINC000004981319 563328364 /nfs/dbraw/zinc/32/83/64/563328364.db2.gz NVJASHAARYNZFK-NRFANRHFSA-N 1 0 320.480 3.983 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000008130585 563344787 /nfs/dbraw/zinc/34/47/87/563344787.db2.gz LBLUWKFFGQFVLY-UHFFFAOYSA-N 1 0 322.452 3.958 50 0 DHAARO CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008337110 563345773 /nfs/dbraw/zinc/34/57/73/563345773.db2.gz BUPHVLVYPWTSRP-QGZVFWFLSA-N 1 0 319.832 3.780 50 0 DHAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[NH+]1CCCC1 ZINC000008714081 563349085 /nfs/dbraw/zinc/34/90/85/563349085.db2.gz MHUDYDZAPOYHNU-UHFFFAOYSA-N 1 0 321.218 3.607 50 0 DHAARO Cc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062766 563351213 /nfs/dbraw/zinc/35/12/13/563351213.db2.gz WLMZHSQNGZRSSZ-UHFFFAOYSA-N 1 0 308.425 3.846 50 0 DHAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010325724 563356273 /nfs/dbraw/zinc/35/62/73/563356273.db2.gz HPEXXDPEAKVBRQ-UHFFFAOYSA-N 1 0 324.424 3.933 50 0 DHAARO O=C(Nc1ccc(F)c(F)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010330740 563356314 /nfs/dbraw/zinc/35/63/14/563356314.db2.gz PFAWFMGDSIDFCJ-UHFFFAOYSA-N 1 0 316.351 3.813 50 0 DHAARO Cn1ccnc1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000011663339 563359324 /nfs/dbraw/zinc/35/93/24/563359324.db2.gz PMZBFNXYHOFBAW-CQSZACIVSA-N 1 0 319.399 3.543 50 0 DHAARO COC[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000012055761 563360764 /nfs/dbraw/zinc/36/07/64/563360764.db2.gz PTAPIHVBXMADAE-CYBMUJFWSA-N 1 0 306.431 3.570 50 0 DHAARO COCC[N@H+](Cc1nc(-c2ccccc2C)oc1C)C(C)C ZINC000011946089 563361168 /nfs/dbraw/zinc/36/11/68/563361168.db2.gz WELLITHSRLXGNB-UHFFFAOYSA-N 1 0 302.418 3.815 50 0 DHAARO CC[C@@H](C)C[NH+]1CCC2(C[C@H]2C(=O)Nc2cccc(F)c2)CC1 ZINC000012164215 563363405 /nfs/dbraw/zinc/36/34/05/563363405.db2.gz ANYJBAZROMFFPC-PBHICJAKSA-N 1 0 318.436 3.912 50 0 DHAARO Cc1oc(-c2ccoc2)nc1C[N@H+](CC1CC1)C[C@H]1CCCO1 ZINC000012208086 563364968 /nfs/dbraw/zinc/36/49/68/563364968.db2.gz RVOGEOUIPAOAJK-MRXNPFEDSA-N 1 0 316.401 3.634 50 0 DHAARO COc1cccc(N2CC[NH+](C/C(C)=C/c3ccccc3)CC2)c1 ZINC000012342830 563367172 /nfs/dbraw/zinc/36/71/72/563367172.db2.gz KKBQXNCBGVOKGK-OBGWFSINSA-N 1 0 322.452 3.921 50 0 DHAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000013121534 563378030 /nfs/dbraw/zinc/37/80/30/563378030.db2.gz SVZBRBQBMJLVMX-FXUDXRNXSA-N 1 0 318.461 3.827 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C2CCCCC2)c2ccccc12 ZINC000013424519 563381423 /nfs/dbraw/zinc/38/14/23/563381423.db2.gz IWDNSXNDZVLOIC-KRWDZBQOSA-N 1 0 300.446 3.541 50 0 DHAARO Cc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000032779522 563393332 /nfs/dbraw/zinc/39/33/32/563393332.db2.gz MUNGABRXYJBQKZ-IBGZPJMESA-N 1 0 323.440 3.954 50 0 DHAARO CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000032850698 563402937 /nfs/dbraw/zinc/40/29/37/563402937.db2.gz SWGZPHVUDRDBMM-KURKYZTESA-N 1 0 314.473 3.644 50 0 DHAARO C[C@@H]1C[C@@](OC(=O)c2ccco2)(c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000015023481 563405877 /nfs/dbraw/zinc/40/58/77/563405877.db2.gz HGXBXQXWBLWWHO-KHYOSLBOSA-N 1 0 313.397 3.692 50 0 DHAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]CC1CC1 ZINC000015061982 563406335 /nfs/dbraw/zinc/40/63/35/563406335.db2.gz YIPSBWAGHIEONV-AWEZNQCLSA-N 1 0 302.466 3.616 50 0 DHAARO CCC[NH+]1CCC(Cc2ccc(Cl)cc2)(C(=O)OCC)CC1 ZINC000015073142 563407130 /nfs/dbraw/zinc/40/71/30/563407130.db2.gz DDDIOEMQHGZTFY-UHFFFAOYSA-N 1 0 323.864 3.938 50 0 DHAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2CCCCC2)c(C)c1 ZINC000015308780 563409281 /nfs/dbraw/zinc/40/92/81/563409281.db2.gz MJUBEEPXICEILD-MRXNPFEDSA-N 1 0 302.462 3.573 50 0 DHAARO CCOc1ccc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000020177108 563417059 /nfs/dbraw/zinc/41/70/59/563417059.db2.gz GMPNZHCBJOEYMZ-INIZCTEOSA-N 1 0 305.805 3.562 50 0 DHAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC000033438720 563417071 /nfs/dbraw/zinc/41/70/71/563417071.db2.gz JIBDBHTXDZGOLX-LJQANCHMSA-N 1 0 313.441 3.645 50 0 DHAARO Cc1ccc(-c2cc(N3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000025559392 563423803 /nfs/dbraw/zinc/42/38/03/563423803.db2.gz OQUQTBNZZXQKSI-UHFFFAOYSA-N 1 0 317.436 3.962 50 0 DHAARO CC(C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662524 563429599 /nfs/dbraw/zinc/42/95/99/563429599.db2.gz FLXUPPSIEPRNGJ-HNNXBMFYSA-N 1 0 308.491 3.828 50 0 DHAARO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCc2ccccc21 ZINC000029489216 563434442 /nfs/dbraw/zinc/43/44/42/563434442.db2.gz FDAZFGLYWARFLG-QGZVFWFLSA-N 1 0 316.351 3.523 50 0 DHAARO CCCO[C@H]1CCC[N@@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000032550937 563442575 /nfs/dbraw/zinc/44/25/75/563442575.db2.gz JVJZYKVCMSFXAC-KRWDZBQOSA-N 1 0 320.452 3.686 50 0 DHAARO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nc3ccccc3s2)C1(C)C ZINC000072305311 563444342 /nfs/dbraw/zinc/44/43/42/563444342.db2.gz HSTRWGMSSPVTFH-WMLDXEAASA-N 1 0 304.459 3.932 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)o1)C[C@H](O)COc1ccccc1 ZINC000036097738 563454708 /nfs/dbraw/zinc/45/47/08/563454708.db2.gz CQJRVHSQODLXPZ-WBVHZDCISA-N 1 0 317.429 3.628 50 0 DHAARO Cc1[nH]c2ccccc2c1C(=O)CN1CCc2ccccc2C1 ZINC000036079839 563454844 /nfs/dbraw/zinc/45/48/44/563454844.db2.gz IINJSWOEWUQSKJ-UHFFFAOYSA-N 1 0 304.393 3.717 50 0 DHAARO CC[N@@H+]1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 ZINC000053993709 563469521 /nfs/dbraw/zinc/46/95/21/563469521.db2.gz FYEUOFXRTURCMC-UHFFFAOYSA-N 1 0 315.467 3.985 50 0 DHAARO Cc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)[nH]1 ZINC000055099339 563470995 /nfs/dbraw/zinc/47/09/95/563470995.db2.gz VDIBEWOICMCGSD-HNNXBMFYSA-N 1 0 301.409 3.702 50 0 DHAARO Cc1ccsc1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000055292074 563473552 /nfs/dbraw/zinc/47/35/52/563473552.db2.gz RLXIFRZSBAPZOO-UHFFFAOYSA-N 1 0 300.471 3.996 50 0 DHAARO COc1cccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000055292347 563473616 /nfs/dbraw/zinc/47/36/16/563473616.db2.gz UXBFHZLEVRCYNF-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO CCC[NH+]1CCC(CC(=O)Nc2ccnn2[C@@H](C)C(C)C)CC1 ZINC000055270589 563473726 /nfs/dbraw/zinc/47/37/26/563473726.db2.gz ATBKAFWBTXKZDN-HNNXBMFYSA-N 1 0 320.481 3.551 50 0 DHAARO Cc1cc(C)c(CN(C)[C@H](C)c2nccs2)c(C)c1CO ZINC000055359271 563474345 /nfs/dbraw/zinc/47/43/45/563474345.db2.gz DLOARPQVMVPZPN-CQSZACIVSA-N 1 0 304.459 3.754 50 0 DHAARO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1ccc2c(c1)OCCO2 ZINC000055413748 563475153 /nfs/dbraw/zinc/47/51/53/563475153.db2.gz WQGMKLDHKJERBB-OAHLLOKOSA-N 1 0 312.413 3.654 50 0 DHAARO C[C@H]1[C@H](C)[N@@H+](Cc2ccco2)CC[C@@H]1OC(=O)c1ccccc1 ZINC000004625175 563477871 /nfs/dbraw/zinc/47/78/71/563477871.db2.gz IEDBZMWATZKGIT-MPGHIAIKSA-N 1 0 313.397 3.736 50 0 DHAARO O[C@@H]1C[N@H+](Cc2ccncc2)CC[C@H]1c1ccc2ccccc2c1 ZINC000067691520 563488582 /nfs/dbraw/zinc/48/85/82/563488582.db2.gz FQXQCEISLKQKPB-LEWJYISDSA-N 1 0 318.420 3.585 50 0 DHAARO Cc1ccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000067727083 563489644 /nfs/dbraw/zinc/48/96/44/563489644.db2.gz LCSAMBUXCMMUEX-KRWDZBQOSA-N 1 0 317.477 3.935 50 0 DHAARO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067850268 563492357 /nfs/dbraw/zinc/49/23/57/563492357.db2.gz UDUJPTLWWKRZGR-HUUCEWRRSA-N 1 0 306.413 3.769 50 0 DHAARO Cc1ccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000033128952 563497005 /nfs/dbraw/zinc/49/70/05/563497005.db2.gz QTKLHKLJWHFQDZ-UHFFFAOYSA-N 1 0 309.413 3.554 50 0 DHAARO CNc1nc(NCc2cc(C)cc3c(C)c(C)[nH]c32)cc(C)[nH+]1 ZINC000071479480 563499665 /nfs/dbraw/zinc/49/96/65/563499665.db2.gz GWZDLMYWDDUWBA-UHFFFAOYSA-N 1 0 309.417 3.845 50 0 DHAARO CC[NH+](CC)Cc1ccccc1NC(=O)c1csnc1C ZINC000097080365 563504843 /nfs/dbraw/zinc/50/48/43/563504843.db2.gz KDBWDDZBEBHSFN-UHFFFAOYSA-N 1 0 303.431 3.546 50 0 DHAARO Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)o1 ZINC000097110967 563506165 /nfs/dbraw/zinc/50/61/65/563506165.db2.gz WTUPZDTZCPOHTK-ZJUUUORDSA-N 1 0 313.323 3.679 50 0 DHAARO c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccncc3)cc2)c1 ZINC000097109561 563506334 /nfs/dbraw/zinc/50/63/34/563506334.db2.gz NMTYGWVWRDMNRL-IBGZPJMESA-N 1 0 304.397 3.604 50 0 DHAARO CC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000077391658 563510108 /nfs/dbraw/zinc/51/01/08/563510108.db2.gz GUNWUFMOGFUHQC-IBGZPJMESA-N 1 0 322.452 3.848 50 0 DHAARO C[C@H](C(=O)N(C)Cc1ccc(Cl)s1)[C@H]([NH3+])c1ccccc1 ZINC000130223449 563522921 /nfs/dbraw/zinc/52/29/21/563522921.db2.gz OVVXCPMYEKRURL-NHYWBVRUSA-N 1 0 322.861 3.696 50 0 DHAARO C[C@H](c1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1)[NH+]1CCCC1 ZINC000096153009 563534503 /nfs/dbraw/zinc/53/45/03/563534503.db2.gz QQZGGENJRJBFRD-SNVBAGLBSA-N 1 0 310.323 3.647 50 0 DHAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000096179598 563535646 /nfs/dbraw/zinc/53/56/46/563535646.db2.gz BTJPRCLRVJRLQG-ZDUSSCGKSA-N 1 0 309.841 3.596 50 0 DHAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1ccc(-c2ccco2)cc1 ZINC000097076225 563537851 /nfs/dbraw/zinc/53/78/51/563537851.db2.gz BGLDOBMWMUWEOA-HNNXBMFYSA-N 1 0 307.397 3.800 50 0 DHAARO CCc1oc2c(cc(Cl)cc2NC(=O)N2CC[C@H]([NH3+])C2)c1C ZINC000097729591 563542044 /nfs/dbraw/zinc/54/20/44/563542044.db2.gz ZEEMSARMBGSVKZ-NSHDSACASA-N 1 0 321.808 3.522 50 0 DHAARO CNC(=O)[C@@H]1CCCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000097831184 563543136 /nfs/dbraw/zinc/54/31/36/563543136.db2.gz VKVAIMMRCDHYBQ-IBGZPJMESA-N 1 0 324.424 3.579 50 0 DHAARO c1nc2ccccc2n1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000193710 563577473 /nfs/dbraw/zinc/57/74/73/563577473.db2.gz STEIURKEUZAMPH-UHFFFAOYSA-N 1 0 305.425 3.949 50 0 DHAARO CCCOc1ccc(Cl)cc1C[NH2+]CCOc1ccccn1 ZINC000113395232 563581178 /nfs/dbraw/zinc/58/11/78/563581178.db2.gz BWVYNRZYYSDPDY-UHFFFAOYSA-N 1 0 320.820 3.692 50 0 DHAARO c1ccc(-c2ccc(C[NH2+]CCOc3ccccn3)cc2)cc1 ZINC000113396308 563581502 /nfs/dbraw/zinc/58/15/02/563581502.db2.gz VDPPBCSGSRWCKE-UHFFFAOYSA-N 1 0 304.393 3.917 50 0 DHAARO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000151859917 563622748 /nfs/dbraw/zinc/62/27/48/563622748.db2.gz YDAQVJHSSZTEDU-NEPJUHHUSA-N 1 0 300.368 3.629 50 0 DHAARO c1ccc(CSC2=[NH+]CCN2CCOc2ccccc2)cc1 ZINC000000535105 563667229 /nfs/dbraw/zinc/66/72/29/563667229.db2.gz GJKGWWKBBXASCV-UHFFFAOYSA-N 1 0 312.438 3.670 50 0 DHAARO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000105934248 563677495 /nfs/dbraw/zinc/67/74/95/563677495.db2.gz GJZFCXFLSIUPBM-JKSUJKDBSA-N 1 0 314.473 3.617 50 0 DHAARO CCSc1nnc(SCC[C@H]2CCCC[N@@H+]2C)s1 ZINC000044865559 563685059 /nfs/dbraw/zinc/68/50/59/563685059.db2.gz UJEPMFGTYUSYAE-SNVBAGLBSA-N 1 0 303.522 3.617 50 0 DHAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000108087468 563686560 /nfs/dbraw/zinc/68/65/60/563686560.db2.gz SWYSHFYEMCJEEY-KHYOSLBOSA-N 1 0 316.489 3.892 50 0 DHAARO Cc1noc(C)c1CN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000215273197 563704199 /nfs/dbraw/zinc/70/41/99/563704199.db2.gz RHVONDIVKDWGOS-QGZVFWFLSA-N 1 0 310.401 3.895 50 0 DHAARO COc1ccc2[nH]c(CN3CCOC4(CCCC4)C3)c(C)c2c1 ZINC000215284511 563704258 /nfs/dbraw/zinc/70/42/58/563704258.db2.gz PPPBKDIXPMZIFE-UHFFFAOYSA-N 1 0 314.429 3.630 50 0 DHAARO C[NH+](C)CCN1c2ccc(Cl)cc2Nc2ccccc2C1=O ZINC000000001176 563739830 /nfs/dbraw/zinc/73/98/30/563739830.db2.gz IDWVKNARDDZONS-UHFFFAOYSA-N 1 0 315.804 3.605 50 0 in-man DHAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000225354539 563752582 /nfs/dbraw/zinc/75/25/82/563752582.db2.gz AMRCHEXOZFYEQS-OLZOCXBDSA-N 1 0 308.853 3.590 50 0 DHAARO Cc1ccccc1OCCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000225845773 563764795 /nfs/dbraw/zinc/76/47/95/563764795.db2.gz LLTVWUSPFKSKQS-CTNGQTDRSA-N 1 0 324.468 3.799 50 0 DHAARO Cc1nc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)cs1 ZINC000229837107 563772835 /nfs/dbraw/zinc/77/28/35/563772835.db2.gz DOXMMUZVJAHWGG-DLBZAZTESA-N 1 0 302.443 3.540 50 0 DHAARO C(c1nnc2n1CCCC2)[N@@H+]1CCCCC[C@@H]1C1CCCCC1 ZINC000242183894 563777867 /nfs/dbraw/zinc/77/78/67/563777867.db2.gz XCTPMNQVBYSZRR-QGZVFWFLSA-N 1 0 316.493 3.939 50 0 DHAARO COc1cccc(OCC[N@H+]2CC[C@@H]2c2cccc(OC)c2)c1 ZINC000244708166 563779162 /nfs/dbraw/zinc/77/91/62/563779162.db2.gz KOVWHEHYJMJCOY-LJQANCHMSA-N 1 0 313.397 3.530 50 0 DHAARO COc1ccnc(CN(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000244874647 563779921 /nfs/dbraw/zinc/77/99/21/563779921.db2.gz XEWMTBPUEJFHHS-AWEZNQCLSA-N 1 0 322.412 3.673 50 0 DHAARO CCC[NH2+]Cc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000248148204 563782928 /nfs/dbraw/zinc/78/29/28/563782928.db2.gz IQOAXWBRJJWBSS-UHFFFAOYSA-N 1 0 320.440 3.801 50 0 DHAARO CCOC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000052442487 563788064 /nfs/dbraw/zinc/78/80/64/563788064.db2.gz DRWMWDVSYONDMA-UHFFFAOYSA-N 1 0 317.351 3.629 50 0 DHAARO c1ccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000001229325 563803042 /nfs/dbraw/zinc/80/30/42/563803042.db2.gz UAFBGDLXUIBTFM-UHFFFAOYSA-N 1 0 306.453 3.709 50 0 DHAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+][C@H](C)CO)cc2c1 ZINC000299793441 563806473 /nfs/dbraw/zinc/80/64/73/563806473.db2.gz GOBSUDILFXIAQX-CQSZACIVSA-N 1 0 324.399 3.820 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OC(F)F ZINC000035054721 563808416 /nfs/dbraw/zinc/80/84/16/563808416.db2.gz VFGLOEPKEDQYND-CYBMUJFWSA-N 1 0 318.795 3.515 50 0 DHAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000012676627 563809451 /nfs/dbraw/zinc/80/94/51/563809451.db2.gz VTEDKHOLAQXKLU-LIRRHRJNSA-N 1 0 324.424 3.763 50 0 DHAARO CC1(C)CC(Nc2cc(-c3ccccc3)ncn2)CC(C)(C)[NH2+]1 ZINC000001286850 563810383 /nfs/dbraw/zinc/81/03/83/563810383.db2.gz ZTBCHYWSZBARCR-UHFFFAOYSA-N 1 0 310.445 3.865 50 0 DHAARO Cc1ccccc1[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)C1CC1 ZINC000084234917 563825788 /nfs/dbraw/zinc/82/57/88/563825788.db2.gz BYFYPWOTIFWCAB-UGKGYDQZSA-N 1 0 313.466 3.973 50 0 DHAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000012414176 563837665 /nfs/dbraw/zinc/83/76/65/563837665.db2.gz JKXCTIFAGZFWSE-GMGOFACGSA-N 1 0 321.505 3.596 50 0 DHAARO Cc1ccc([C@@H](C(=O)NC2CCCC2)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000053253641 563840157 /nfs/dbraw/zinc/84/01/57/563840157.db2.gz OYCCRLOXRRVOJL-APWZRJJASA-N 1 0 314.473 3.827 50 0 DHAARO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000103408244 563843515 /nfs/dbraw/zinc/84/35/15/563843515.db2.gz HNRNLAPQQPTQNZ-HZPDHXFCSA-N 1 0 321.461 3.841 50 0 DHAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCc2cccs2)c(C)c1 ZINC000012856306 563844912 /nfs/dbraw/zinc/84/49/12/563844912.db2.gz IIPYIYKTVOUPSA-OAHLLOKOSA-N 1 0 316.470 3.502 50 0 DHAARO CC[C@H]([NH2+]Cc1cc[nH]c1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000086254345 563844962 /nfs/dbraw/zinc/84/49/62/563844962.db2.gz KWSDZVXVSHIWKR-GJZGRUSLSA-N 1 0 312.335 3.635 50 0 DHAARO COc1cc(C)sc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000075094480 563859375 /nfs/dbraw/zinc/85/93/75/563859375.db2.gz KFBYPRAGFQPTNX-UHFFFAOYSA-N 1 0 322.405 3.518 50 0 DHAARO Cc1[nH+]c(N)nc(N)c1/C=C/[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000075279548 563862727 /nfs/dbraw/zinc/86/27/27/563862727.db2.gz KXBLWJBWPHUIPI-IPQKIJNHSA-N 1 0 322.334 3.785 50 0 DHAARO CCC(=O)O[C@]1(Cc2ccc(CC)cc2)C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000000036736 563865145 /nfs/dbraw/zinc/86/51/45/563865145.db2.gz KOYICGYXDCTHSW-QINHECLXSA-N 1 0 317.473 3.844 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1ccoc1)c1csc2ccccc21 ZINC000575621497 563868252 /nfs/dbraw/zinc/86/82/52/563868252.db2.gz OUGVVVYCIXGFKL-OAHLLOKOSA-N 1 0 314.410 3.527 50 0 DHAARO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123476271 563875744 /nfs/dbraw/zinc/87/57/44/563875744.db2.gz WIVIAKIZNNRZAZ-YWPUVAFDSA-N 1 0 305.340 3.802 50 0 DHAARO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1c(C)noc1C ZINC000090887427 563876686 /nfs/dbraw/zinc/87/66/86/563876686.db2.gz FZUXCABVHGZIBJ-YGRLFVJLSA-N 1 0 302.374 3.822 50 0 DHAARO COc1ccc2c(c1)[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)CCS2 ZINC000191539698 563876693 /nfs/dbraw/zinc/87/66/93/563876693.db2.gz PQWJKURQAPWBOT-XHBSWPGZSA-N 1 0 307.459 3.778 50 0 DHAARO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000239722554 563880365 /nfs/dbraw/zinc/88/03/65/563880365.db2.gz CDILGGYSDIBFRO-NVXWUHKLSA-N 1 0 302.462 3.671 50 0 DHAARO Cc1cccc(C)c1NC(=S)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000245264698 563881553 /nfs/dbraw/zinc/88/15/53/563881553.db2.gz DUDCZGJOECMPLN-CVEARBPZSA-N 1 0 319.518 3.853 50 0 DHAARO C[NH+](C)CCCNc1nnc(-c2ccccc2)c2ccccc21 ZINC000001811764 563882076 /nfs/dbraw/zinc/88/20/76/563882076.db2.gz SRCLHPZKSMAGKF-UHFFFAOYSA-N 1 0 306.413 3.660 50 0 DHAARO C[C@@H](CC[NH+](C)C)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000001810646 563882312 /nfs/dbraw/zinc/88/23/12/563882312.db2.gz BPZNOFKMNCMRQO-INIZCTEOSA-N 1 0 311.425 3.702 50 0 DHAARO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000192135483 563885500 /nfs/dbraw/zinc/88/55/00/563885500.db2.gz DVGRNXNBNLRHNZ-INIZCTEOSA-N 1 0 306.413 3.769 50 0 DHAARO CCCNC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000036395704 563898772 /nfs/dbraw/zinc/89/87/72/563898772.db2.gz XYCGMCBKDQUHGV-LPHOPBHVSA-N 1 0 310.441 3.589 50 0 DHAARO CC(C)C[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CC1 ZINC000036744560 563903990 /nfs/dbraw/zinc/90/39/90/563903990.db2.gz XGXLNJJMGFTFRM-UHFFFAOYSA-N 1 0 311.385 3.702 50 0 DHAARO CC1CC[NH+](CCCNC(=O)Nc2ccccc2Cl)CC1 ZINC000170124856 563903997 /nfs/dbraw/zinc/90/39/97/563903997.db2.gz QUBYPWDJISGXPW-UHFFFAOYSA-N 1 0 309.841 3.584 50 0 DHAARO C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1cccs1 ZINC000007420886 563906022 /nfs/dbraw/zinc/90/60/22/563906022.db2.gz SFCSDKYJSQITIB-LLVKDONJSA-N 1 0 308.834 3.861 50 0 DHAARO C[C@H](c1ccccc1F)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000170621412 563908582 /nfs/dbraw/zinc/90/85/82/563908582.db2.gz RBYVKULDBPYXQI-RDTXWAMCSA-N 1 0 314.404 3.825 50 0 DHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000076057432 563912163 /nfs/dbraw/zinc/91/21/63/563912163.db2.gz ZLHJIEDJGZYRTR-OXJNMPFZSA-N 1 0 324.468 3.822 50 0 DHAARO C[C@H]1CCC[N@H+](CCCOc2ccccc2Br)C1 ZINC000002825304 563913023 /nfs/dbraw/zinc/91/30/23/563913023.db2.gz MSTANEPWKCZWDO-ZDUSSCGKSA-N 1 0 312.251 3.950 50 0 DHAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000002823413 563913079 /nfs/dbraw/zinc/91/30/79/563913079.db2.gz YWJYJQXGEFJCAM-NSHDSACASA-N 1 0 306.233 3.777 50 0 DHAARO CC(C)SCC[N@H+](Cc1cccc(O)c1)C1CCC(O)CC1 ZINC000252490500 563916000 /nfs/dbraw/zinc/91/60/00/563916000.db2.gz KVHIXUWLNQYITC-UHFFFAOYSA-N 1 0 323.502 3.639 50 0 DHAARO c1ccc(C[C@@H]2CCC[N@@H+]2Cc2noc(-c3ccccc3)n2)cc1 ZINC000055505313 563916889 /nfs/dbraw/zinc/91/68/89/563916889.db2.gz WKRVFIQOHUMCLF-SFHVURJKSA-N 1 0 319.408 3.944 50 0 DHAARO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccsc3)CC2)nc1 ZINC000170670586 563917546 /nfs/dbraw/zinc/91/75/46/563917546.db2.gz JTSNZDSOMHSRIG-AWEZNQCLSA-N 1 0 301.459 3.771 50 0 DHAARO CCC1CCC(N(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC000170677451 563917562 /nfs/dbraw/zinc/91/75/62/563917562.db2.gz FTYUZMKFDZXRPN-NALMEZQBSA-N 1 0 320.521 3.972 50 0 DHAARO CC(=O)NC1CCC([NH2+][C@@H]2C[C@@H]3CCCc4cccc2c43)CC1 ZINC000195565175 563919844 /nfs/dbraw/zinc/91/98/44/563919844.db2.gz QCSOGBZFFMJRGN-BOMAWHNGSA-N 1 0 312.457 3.588 50 0 DHAARO c1ccc2oc([C@H]3CCC[N@H+](C4CCSCC4)C3)nc2c1 ZINC000092899033 563924226 /nfs/dbraw/zinc/92/42/26/563924226.db2.gz BOCBGEAFVYYFSV-ZDUSSCGKSA-N 1 0 302.443 3.903 50 0 DHAARO Cc1cn2c(n1)CC[C@@H]([NH2+]CCCc1c(F)cccc1Cl)C2 ZINC000253419698 563925137 /nfs/dbraw/zinc/92/51/37/563925137.db2.gz BGPSUCGZIRDMGI-CYBMUJFWSA-N 1 0 321.827 3.521 50 0 DHAARO C[C@@H](CO)C[N@H+](Cc1ccccc1)Cc1cnc2ccccc2c1 ZINC000055042159 563926116 /nfs/dbraw/zinc/92/61/16/563926116.db2.gz UPYSFZPQWKDHHM-QGZVFWFLSA-N 1 0 320.436 3.865 50 0 DHAARO c1ccc(OCCC[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC000064793556 563927541 /nfs/dbraw/zinc/92/75/41/563927541.db2.gz RAKITPHHFXVIAI-UHFFFAOYSA-N 1 0 311.425 3.999 50 0 DHAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000114988337 563927863 /nfs/dbraw/zinc/92/78/63/563927863.db2.gz DEZFOMKNEZXHRG-IAGOWNOFSA-N 1 0 316.445 3.518 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccsc1 ZINC000013011262 563929131 /nfs/dbraw/zinc/92/91/31/563929131.db2.gz MAPPXDKCJSKEDF-GOSISDBHSA-N 1 0 324.449 3.934 50 0 DHAARO CCc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)o1 ZINC000095420172 563931442 /nfs/dbraw/zinc/93/14/42/563931442.db2.gz BSVBVUXPNQJGPU-HNNXBMFYSA-N 1 0 309.413 3.938 50 0 DHAARO CC[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccncc1 ZINC000095968437 563933071 /nfs/dbraw/zinc/93/30/71/563933071.db2.gz COYYQBARUNWOIM-KRWDZBQOSA-N 1 0 317.477 3.550 50 0 DHAARO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1c(C)nn(C)c1C ZINC000095968716 563933091 /nfs/dbraw/zinc/93/30/91/563933091.db2.gz MGTYKPHEBLNZGX-DIFFPNOSSA-N 1 0 319.424 3.987 50 0 DHAARO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(N2CCOC2=O)c1 ZINC000095969314 563933557 /nfs/dbraw/zinc/93/35/57/563933557.db2.gz DXRGLGVREAZBFF-GUYCJALGSA-N 1 0 320.458 3.580 50 0 DHAARO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000095983582 563933975 /nfs/dbraw/zinc/93/39/75/563933975.db2.gz YFYKQIQQWSWSKV-OAGGEKHMSA-N 1 0 313.894 3.979 50 0 DHAARO C[C@@H]1CC([NH2+]C[C@@H]2CCCC[C@@H]2OCC(F)(F)F)C[C@@H](C)O1 ZINC000095988351 563934105 /nfs/dbraw/zinc/93/41/05/563934105.db2.gz FBLSKQUVMNXLMI-CXTNEJHOSA-N 1 0 323.399 3.670 50 0 DHAARO CCC[C@H](C[NH+]1CCC(c2nncn2C)CC1)c1ccccc1 ZINC000095986581 563934170 /nfs/dbraw/zinc/93/41/70/563934170.db2.gz SSCANUJBKVJHHZ-GOSISDBHSA-N 1 0 312.461 3.578 50 0 DHAARO CCc1c(C)[nH+]c2ccccc2c1NCCCOCCOC ZINC000095993833 563934510 /nfs/dbraw/zinc/93/45/10/563934510.db2.gz ZJICSEPWOYEVNN-UHFFFAOYSA-N 1 0 302.418 3.571 50 0 DHAARO Cc1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000096013672 563934819 /nfs/dbraw/zinc/93/48/19/563934819.db2.gz GHNUMUNTCGPNED-UHFFFAOYSA-N 1 0 323.440 3.631 50 0 DHAARO CCOc1ccccc1C1CC[NH+](CCCCCCO)CC1 ZINC000096026600 563935037 /nfs/dbraw/zinc/93/50/37/563935037.db2.gz NABYLUKLJGWNNE-UHFFFAOYSA-N 1 0 305.462 3.817 50 0 DHAARO C[NH+]1CCC(OC(=O)[C@@H](c2cccs2)[C@@H]2C=CCCC2)CC1 ZINC000096028037 563935290 /nfs/dbraw/zinc/93/52/90/563935290.db2.gz TUYPAMBSJBATIZ-RHSMWYFYSA-N 1 0 319.470 3.825 50 0 DHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(Cl)cc1 ZINC000002468607 563938034 /nfs/dbraw/zinc/93/80/34/563938034.db2.gz NRQJUWUODUFPCL-CHWSQXEVSA-N 1 0 309.841 3.724 50 0 DHAARO COC[C@@H](N[C@H](C)c1ccc(Br)o1)c1ccco1 ZINC000225575395 563938040 /nfs/dbraw/zinc/93/80/40/563938040.db2.gz IGXQGKMEMFCRFN-NXEZZACHSA-N 1 0 314.179 3.673 50 0 DHAARO Fc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000230090079 563941615 /nfs/dbraw/zinc/94/16/15/563941615.db2.gz FWDWJYVLLCCLDI-SUMWQHHRSA-N 1 0 305.393 3.847 50 0 DHAARO Cc1cc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c(C)c1 ZINC000003194185 563942835 /nfs/dbraw/zinc/94/28/35/563942835.db2.gz CITKQVBWORSVBS-HKUYNNGSSA-N 1 0 313.441 3.702 50 0 DHAARO CC(C)C/C=C(\C[N@H+](C)C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000670449252 563944334 /nfs/dbraw/zinc/94/43/34/563944334.db2.gz MSCKSIGLTUCFMV-WAKXPGHKSA-N 1 0 314.473 3.526 50 0 DHAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1ccc(C)nn1 ZINC000067643604 563949616 /nfs/dbraw/zinc/94/96/16/563949616.db2.gz DNHDEKIUKXPVMK-UHFFFAOYSA-N 1 0 313.401 3.572 50 0 DHAARO Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613176 563949623 /nfs/dbraw/zinc/94/96/23/563949623.db2.gz MALGFTRNKLZGHH-IBGZPJMESA-N 1 0 314.473 3.866 50 0 DHAARO COc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008700907 563949692 /nfs/dbraw/zinc/94/96/92/563949692.db2.gz KPVOCIDZKIFLAP-GFCCVEGCSA-N 1 0 300.402 3.632 50 0 DHAARO CCOc1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008714097 563949923 /nfs/dbraw/zinc/94/99/23/563949923.db2.gz QFMIEJZUDMBAQQ-UHFFFAOYSA-N 1 0 314.429 3.879 50 0 DHAARO CCOc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008713988 563949925 /nfs/dbraw/zinc/94/99/25/563949925.db2.gz UQPLCFSKTZPBLJ-CYBMUJFWSA-N 1 0 314.429 3.879 50 0 DHAARO Cc1ccc(Cl)c(OCCOCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000008750419 563950622 /nfs/dbraw/zinc/95/06/22/563950622.db2.gz BAZFJNLCUTZDGD-OAHLLOKOSA-N 1 0 311.853 3.776 50 0 DHAARO Cc1cccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 ZINC000069532707 563953393 /nfs/dbraw/zinc/95/33/93/563953393.db2.gz MPRFANJLKRVJFT-UHFFFAOYSA-N 1 0 323.440 3.753 50 0 DHAARO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069699222 563954231 /nfs/dbraw/zinc/95/42/31/563954231.db2.gz WLMRZHOTYMHCHD-AEFFLSMTSA-N 1 0 308.425 3.527 50 0 DHAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000069814993 563954823 /nfs/dbraw/zinc/95/48/23/563954823.db2.gz ANOQGVUQBXHHJQ-CHWSQXEVSA-N 1 0 316.430 3.647 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000010328160 563958578 /nfs/dbraw/zinc/95/85/78/563958578.db2.gz BUADKQDGOCCPMJ-FQEVSTJZSA-N 1 0 318.420 3.873 50 0 DHAARO CC(C)c1nccn1[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000071870849 563959492 /nfs/dbraw/zinc/95/94/92/563959492.db2.gz CPMBBYFRJYUIEL-JKSUJKDBSA-N 1 0 301.434 3.526 50 0 DHAARO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)Cc2ccccc2)cc1OC ZINC000320571087 563960300 /nfs/dbraw/zinc/96/03/00/563960300.db2.gz QHQBHDHZRNEONH-JKSUJKDBSA-N 1 0 313.441 3.856 50 0 DHAARO Cc1nc(N)nc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)c1Cl ZINC000426387147 563960509 /nfs/dbraw/zinc/96/05/09/563960509.db2.gz VNWFYPDLYRMCRJ-GFCCVEGCSA-N 1 0 316.836 3.844 50 0 DHAARO CCC1[N+](=O)[C@@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C ZINC000000509504 568414518 /nfs/dbraw/zinc/41/45/18/568414518.db2.gz BPPPIUPSZKIVLX-GFCCVEGCSA-N 1 0 303.189 3.837 50 0 DHAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)cc1 ZINC000014094764 568414730 /nfs/dbraw/zinc/41/47/30/568414730.db2.gz BFFJZSRLFHNXLZ-KGLIPLIRSA-N 1 0 300.377 3.812 50 0 DHAARO Cc1ccc(C[NH2+][C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000089633228 568420253 /nfs/dbraw/zinc/42/02/53/568420253.db2.gz AOCYPHLCTCQHHF-ZWKOTPCHSA-N 1 0 324.468 3.611 50 0 DHAARO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000289771407 1014366744 /nfs/dbraw/zinc/36/67/44/1014366744.db2.gz KLQQKXXKWYRFEV-AWEZNQCLSA-N 1 0 314.429 3.970 50 0 DHAARO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000248574760 1015400680 /nfs/dbraw/zinc/40/06/80/1015400680.db2.gz NAODRTDKUWYMRL-KBAYOESNSA-N 1 0 320.521 3.924 50 0 DHAARO COCc1cccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192374290 1032505504 /nfs/dbraw/zinc/50/55/04/1032505504.db2.gz ULFHLOSBPKVBLG-PMACEKPBSA-N 1 0 311.425 3.700 50 0 DHAARO Cc1cccc2c(N3CC[C@@H](OCc4ccncc4)C3)cc[nH+]c12 ZINC000192897819 1032514312 /nfs/dbraw/zinc/51/43/12/1032514312.db2.gz WPNJYVPNZXEFBK-QGZVFWFLSA-N 1 0 319.408 3.734 50 0 DHAARO CC[C@H](c1ccccc1)[NH+]1CCC(CN=S(C)(C)=O)CC1 ZINC000952992662 1032679865 /nfs/dbraw/zinc/67/98/65/1032679865.db2.gz IQUZMNYYWBJRFY-QGZVFWFLSA-N 1 0 308.491 3.577 50 0 DHAARO Cc1n[nH]c(C)c1C[N@@H+](Cc1cccc(C)c1)C[C@H]1CCCO1 ZINC000952978413 1032680090 /nfs/dbraw/zinc/68/00/90/1032680090.db2.gz XYUGPORECVATKA-GOSISDBHSA-N 1 0 313.445 3.516 50 0 DHAARO Fc1ccc(CN2CCC[N@H+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000952990533 1032686846 /nfs/dbraw/zinc/68/68/46/1032686846.db2.gz QWOLVFNWXQKKMA-KRWDZBQOSA-N 1 0 302.437 3.690 50 0 DHAARO COc1ccc([C@H]2C[C@H](n3ccnc3)ON2c2ccccc2)cc1 ZINC000039414198 1018618141 /nfs/dbraw/zinc/61/81/41/1018618141.db2.gz AFTAGWUIMKVNOV-RTBURBONSA-N 1 0 321.380 3.974 50 0 DHAARO Cc1c2cc(C[NH2+][C@H](C)CO)ccc2[nH]c1-c1ccc(F)cc1 ZINC000012597230 1019025658 /nfs/dbraw/zinc/02/56/58/1019025658.db2.gz XHQLFDAHOWOVMM-GFCCVEGCSA-N 1 0 312.388 3.753 50 0 DHAARO CCN1CC[C@H]([N@H+](C)CC23CC4CC(CC(C4)C2)C3)CCC1=O ZINC000012150525 1019918532 /nfs/dbraw/zinc/91/85/32/1019918532.db2.gz BWWXKWWXFUGHSF-ZCYBBYNQSA-N 1 0 318.505 3.536 50 0 DHAARO CC[N@@H+]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1(C)C ZINC000823112152 1020396725 /nfs/dbraw/zinc/39/67/25/1020396725.db2.gz JDSGETLJTWJXPE-UHFFFAOYSA-N 1 0 318.358 3.761 50 0 DHAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000824567268 1020576713 /nfs/dbraw/zinc/57/67/13/1020576713.db2.gz PHDCCNHDMFKQIP-GOEBONIOSA-N 1 0 319.445 3.867 50 0 DHAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]C2CCC2)c1 ZINC000012458914 1020616449 /nfs/dbraw/zinc/61/64/49/1020616449.db2.gz RVLXQMQEVPKBNZ-MRXNPFEDSA-N 1 0 303.356 3.670 50 0 DHAARO Cc1nc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)cs1 ZINC000825317520 1020646017 /nfs/dbraw/zinc/64/60/17/1020646017.db2.gz PWDBRCNFKVLJRK-UHFFFAOYSA-N 1 0 315.442 3.690 50 0 DHAARO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000177932885 1020857936 /nfs/dbraw/zinc/85/79/36/1020857936.db2.gz IUJNSWOCSZUFJX-GOSISDBHSA-N 1 0 310.441 3.565 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000575546689 1020975265 /nfs/dbraw/zinc/97/52/65/1020975265.db2.gz STDSKZWLCJIHHR-KRWDZBQOSA-N 1 0 315.461 3.813 50 0 DHAARO CCC(CC)C[N@@H+]1CC[C@H](n2c(C)cnc2-c2cccnc2)C1 ZINC000575548967 1020975674 /nfs/dbraw/zinc/97/56/74/1020975674.db2.gz LTBUDSYQWLBEDO-SFHVURJKSA-N 1 0 312.461 3.937 50 0 DHAARO O=C(Nc1ccccc1)N1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000581787932 1021833348 /nfs/dbraw/zinc/83/33/48/1021833348.db2.gz KNUUXVXLGXHKBG-QGZVFWFLSA-N 1 0 301.434 3.559 50 0 DHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)c2cccs2)CC1 ZINC000581788005 1021833646 /nfs/dbraw/zinc/83/36/46/1021833646.db2.gz NUZAXEPGTVXCCR-INIZCTEOSA-N 1 0 320.502 3.865 50 0 DHAARO Cc1ccsc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)[C@@H]2C1 ZINC000581798484 1021841967 /nfs/dbraw/zinc/84/19/67/1021841967.db2.gz NKOZHDQXFGIEIV-QZTJIDSGSA-N 1 0 312.482 3.763 50 0 DHAARO Cc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000175054458 1022286253 /nfs/dbraw/zinc/28/62/53/1022286253.db2.gz IQUSEVFGXPHOKB-UHFFFAOYSA-N 1 0 315.461 3.832 50 0 DHAARO CN(C(=O)Nc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113365819 1024058982 /nfs/dbraw/zinc/05/89/82/1024058982.db2.gz WKMGMFZIHPJBSO-UHFFFAOYSA-N 1 0 323.440 3.815 50 0 DHAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1ccc2ccn(C)c2c1 ZINC000216037796 1024284955 /nfs/dbraw/zinc/28/49/55/1024284955.db2.gz KJVWWIRJEUMNHS-UHFFFAOYSA-N 1 0 310.445 3.583 50 0 DHAARO O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CCC2(CCCC2)C1 ZINC000215788296 1024525384 /nfs/dbraw/zinc/52/53/84/1024525384.db2.gz QFYGQOSEBMRQFF-SFHVURJKSA-N 1 0 312.457 3.560 50 0 DHAARO COc1cccc(C)c1NC(=O)c1cccc(C[NH+]2CC=CC2)c1 ZINC000102670774 1024538137 /nfs/dbraw/zinc/53/81/37/1024538137.db2.gz GFOGWOMCJGVWCY-UHFFFAOYSA-N 1 0 322.408 3.628 50 0 DHAARO COc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c2ccccc12 ZINC000128543272 1027874629 /nfs/dbraw/zinc/87/46/29/1027874629.db2.gz XTMAUWBISNHWCX-OAHLLOKOSA-N 1 0 321.424 3.571 50 0 DHAARO COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c2ccccc12 ZINC000128543483 1027874918 /nfs/dbraw/zinc/87/49/18/1027874918.db2.gz XTMAUWBISNHWCX-HNNXBMFYSA-N 1 0 321.424 3.571 50 0 DHAARO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1-n1cccn1 ZINC000151808479 1036639704 /nfs/dbraw/zinc/63/97/04/1036639704.db2.gz ASWXTKYMBDTQOB-AWEZNQCLSA-N 1 0 317.396 3.599 50 0 DHAARO COc1cccc(OC)c1OCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002270963 1037139924 /nfs/dbraw/zinc/13/99/24/1037139924.db2.gz WJCOGFUOFNSBMV-HOTGVXAUSA-N 1 0 321.461 3.841 50 0 DHAARO COc1cc([C@@H](C)[NH2+]C2CC(c3ccccc3F)C2)ccn1 ZINC000348753238 1037351798 /nfs/dbraw/zinc/35/17/98/1037351798.db2.gz IGMXIDFYNXYWGT-LRVUVFPRSA-N 1 0 300.377 3.826 50 0 DHAARO Cc1ccsc1C[N@@H+]1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257180525 1040779972 /nfs/dbraw/zinc/77/99/72/1040779972.db2.gz KYMRVEBZLCYPIE-CVEARBPZSA-N 1 0 320.502 3.717 50 0 DHAARO CCOC(=O)[C@H](C)C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000078827665 185116735 /nfs/dbraw/zinc/11/67/35/185116735.db2.gz OKDSPZRSANXDRL-BEFAXECRSA-N 1 0 311.425 3.813 50 0 DHAARO COc1cccc(C2(C[NH2+][C@H](C)c3nnc(C)o3)CCCC2)c1 ZINC000079030774 185147654 /nfs/dbraw/zinc/14/76/54/185147654.db2.gz OOQVGQTUHQDHRC-CYBMUJFWSA-N 1 0 315.417 3.549 50 0 DHAARO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(SC)CCOCC1 ZINC000090112542 185282629 /nfs/dbraw/zinc/28/26/29/185282629.db2.gz MVAKIXVAFLCEBV-QGZVFWFLSA-N 1 0 321.486 3.574 50 0 DHAARO C[C@H]1C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2ccsc2S1 ZINC000090455479 185297473 /nfs/dbraw/zinc/29/74/73/185297473.db2.gz QXLKQBXMTODBIX-NURSFMCSSA-N 1 0 305.472 3.544 50 0 DHAARO Clc1ccc(-c2nnc(SCC[NH+]3CCCC3)o2)cc1 ZINC000096997065 185395782 /nfs/dbraw/zinc/39/57/82/185395782.db2.gz GARINIDRJVRJDI-UHFFFAOYSA-N 1 0 309.822 3.578 50 0 DHAARO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000095396812 185352971 /nfs/dbraw/zinc/35/29/71/185352971.db2.gz FBIQGFFGJXSQOW-MRXNPFEDSA-N 1 0 324.424 3.503 50 0 DHAARO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ccccn1)c1ccco1 ZINC000095413230 185358005 /nfs/dbraw/zinc/35/80/05/185358005.db2.gz RALQCDQKKYIZEJ-SJORKVTESA-N 1 0 300.402 3.543 50 0 DHAARO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(-n3cncn3)cc1)CC2 ZINC000095419443 185359700 /nfs/dbraw/zinc/35/97/00/185359700.db2.gz FTSVKBAMOFXCJD-FOIQADDNSA-N 1 0 318.424 3.914 50 0 DHAARO C[C@@H]([NH2+]CCc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000095419226 185359969 /nfs/dbraw/zinc/35/99/69/185359969.db2.gz OHRUTGSIIFNKHU-CQSZACIVSA-N 1 0 308.425 3.810 50 0 DHAARO COc1cc([C@H](C)[NH2+]CCc2ccccn2)ccc1SC ZINC000095419160 185359980 /nfs/dbraw/zinc/35/99/80/185359980.db2.gz KYZMWKNRHOYHAG-ZDUSSCGKSA-N 1 0 302.443 3.705 50 0 DHAARO Cc1cc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c(C)s1 ZINC000095419792 185360159 /nfs/dbraw/zinc/36/01/59/185360159.db2.gz WLQSHTAPSAQFNB-ZDUSSCGKSA-N 1 0 318.490 3.576 50 0 DHAARO COC(=O)CC1([NH2+]Cc2cc3ccccc3o2)CCCCC1 ZINC000095410426 185357239 /nfs/dbraw/zinc/35/72/39/185357239.db2.gz SHSNLKAWVVHMOQ-UHFFFAOYSA-N 1 0 301.386 3.788 50 0 DHAARO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCc2ncc(C)s2)cc1 ZINC000095423298 185361322 /nfs/dbraw/zinc/36/13/22/185361322.db2.gz VRDJJHUMCQFDFW-UONOGXRCSA-N 1 0 304.459 3.784 50 0 DHAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)c1 ZINC000095420955 185360541 /nfs/dbraw/zinc/36/05/41/185360541.db2.gz AANAPKDVBKEAFZ-AWEZNQCLSA-N 1 0 322.408 3.952 50 0 DHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCc2nc(C)cs2)c1 ZINC000095421633 185360773 /nfs/dbraw/zinc/36/07/73/185360773.db2.gz YBEFDFNNPBNWRA-ZDUSSCGKSA-N 1 0 317.458 3.693 50 0 DHAARO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](SC)C1 ZINC000095423395 185361194 /nfs/dbraw/zinc/36/11/94/185361194.db2.gz QTNIENXVWLGHLX-BPUTZDHNSA-N 1 0 320.502 3.840 50 0 DHAARO C[C@H](C[NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 ZINC000095443047 185366956 /nfs/dbraw/zinc/36/69/56/185366956.db2.gz PLXUJAKOKODMLM-CRAIPNDOSA-N 1 0 316.420 3.949 50 0 DHAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000097022791 185398548 /nfs/dbraw/zinc/39/85/48/185398548.db2.gz XQELPOJZVOKLSL-BWACUDIHSA-N 1 0 306.356 3.523 50 0 DHAARO CC[NH+](CC)CCSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000095468555 185372234 /nfs/dbraw/zinc/37/22/34/185372234.db2.gz DUCHYHBPYAQHIG-UHFFFAOYSA-N 1 0 311.838 3.824 50 0 DHAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000107058499 185467678 /nfs/dbraw/zinc/46/76/78/185467678.db2.gz AESHEFFZZCIMHS-AHIWAGSCSA-N 1 0 324.415 3.508 50 0 DHAARO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(Br)c1 ZINC000083705087 192379526 /nfs/dbraw/zinc/37/95/26/192379526.db2.gz MRKCJPAPJDNYPQ-XJKSGUPXSA-N 1 0 323.278 3.508 50 0 DHAARO Nc1nc(-c2ccc(-c3cccc4c3CC[NH2+]C4)cc2)cs1 ZINC000071747373 191020327 /nfs/dbraw/zinc/02/03/27/191020327.db2.gz VMKXHOJUOSZPCA-UHFFFAOYSA-N 1 0 307.422 3.705 50 0 DHAARO Cc1cccc(C[C@H](O)C[N@H+](Cc2ccccc2)C(C)(C)C)n1 ZINC000071767424 191029574 /nfs/dbraw/zinc/02/95/74/191029574.db2.gz CQGFJAOXVRQIFH-IBGZPJMESA-N 1 0 312.457 3.594 50 0 DHAARO C[N@H+](CCCOc1ccccc1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000072130788 191045053 /nfs/dbraw/zinc/04/50/53/191045053.db2.gz MGHFCTIRXBVKCR-AZUAARDMSA-N 1 0 316.489 3.652 50 0 DHAARO Cc1cnccc1Cn1ccnc1-c1ccc([C@@H](C)[NH+](C)C)cc1 ZINC000072151532 191055607 /nfs/dbraw/zinc/05/56/07/191055607.db2.gz DHTSEVTWRXHWCG-MRXNPFEDSA-N 1 0 320.440 3.924 50 0 DHAARO CC(C)=CCC[C@H](C)C[NH+]1CCN(Cc2ncccc2C)CC1 ZINC000072158803 191061164 /nfs/dbraw/zinc/06/11/64/191061164.db2.gz CZQXSKMWNRXKJC-SFHVURJKSA-N 1 0 315.505 3.890 50 0 DHAARO OCCC[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072162179 191062270 /nfs/dbraw/zinc/06/22/70/191062270.db2.gz BSRQQKNGNFTIHE-AWEZNQCLSA-N 1 0 315.379 3.732 50 0 DHAARO O[C@@H](CN(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000000126997 180701961 /nfs/dbraw/zinc/70/19/61/180701961.db2.gz OBOZOKPRZDQAJO-HXUWFJFHSA-N 1 0 310.441 3.672 50 0 DHAARO CCn1c(C)n[n+]2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000000391058 180776111 /nfs/dbraw/zinc/77/61/11/180776111.db2.gz HPRLSQGCUMYQSH-UHFFFAOYSA-N 1 0 315.400 3.679 50 0 DHAARO CC(C)[NH2+]CCCOc1ccc(Cl)cc1Br ZINC000003000883 180975828 /nfs/dbraw/zinc/97/58/28/180975828.db2.gz UWUNEDSBUNJFED-UHFFFAOYSA-N 1 0 306.631 3.869 50 0 DHAARO COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3ccccc13)[NH2+]CC2 ZINC000003633780 181043018 /nfs/dbraw/zinc/04/30/18/181043018.db2.gz XVIUOHLUFLSLMA-SFHVURJKSA-N 1 0 322.408 3.615 50 0 DHAARO CCCC[C@@H](C(=O)Nc1ccc2c(c1)C[C@@H](C)O2)[NH+](CC)CC ZINC000004063964 181068765 /nfs/dbraw/zinc/06/87/65/181068765.db2.gz VCXCSUROFHCUQZ-PBHICJAKSA-N 1 0 318.461 3.849 50 0 biogenic DHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000004165014 181080483 /nfs/dbraw/zinc/08/04/83/181080483.db2.gz HQISKTKZYSOASU-KRWDZBQOSA-N 1 0 305.462 3.734 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000004165006 181080536 /nfs/dbraw/zinc/08/05/36/181080536.db2.gz HQISKTKZYSOASU-QGZVFWFLSA-N 1 0 305.462 3.734 50 0 DHAARO CCOc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1OC ZINC000004207203 181085344 /nfs/dbraw/zinc/08/53/44/181085344.db2.gz QUPDYGZDDZXIRU-OAHLLOKOSA-N 1 0 310.397 3.666 50 0 DHAARO c1ccc(C(c2noc(C3CC[NH2+]CC3)n2)c2ccccc2)cc1 ZINC000004216270 181085564 /nfs/dbraw/zinc/08/55/64/181085564.db2.gz CPRQKDVHUSKGTQ-UHFFFAOYSA-N 1 0 319.408 3.717 50 0 DHAARO c1ccc(COc2ccc(C[NH2+]Cc3ccccn3)cc2)cc1 ZINC000004240741 181087006 /nfs/dbraw/zinc/08/70/06/181087006.db2.gz ISPSMRJSKGJOLD-UHFFFAOYSA-N 1 0 304.393 3.950 50 0 DHAARO Cc1ccc(NC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004577403 181126838 /nfs/dbraw/zinc/12/68/38/181126838.db2.gz YCRSHLANMADACD-DOTOQJQBSA-N 1 0 302.418 3.808 50 0 DHAARO COc1ccc(N2Cc3ccccc3C3(CCOCC3)C2=[NH2+])cc1 ZINC000004640156 181131217 /nfs/dbraw/zinc/13/12/17/181131217.db2.gz PIDULFZWFREYQB-UHFFFAOYSA-N 1 0 322.408 3.741 50 0 DHAARO COc1ccccc1NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000004747566 181147468 /nfs/dbraw/zinc/14/74/68/181147468.db2.gz PEVODJDIKNUYIP-UHFFFAOYSA-N 1 0 314.404 3.911 50 0 DHAARO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1Cl ZINC000004841706 181161098 /nfs/dbraw/zinc/16/10/98/181161098.db2.gz LZZIUJXMYFZAIZ-CYBMUJFWSA-N 1 0 321.804 3.877 50 0 DHAARO CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000004862833 181164981 /nfs/dbraw/zinc/16/49/81/181164981.db2.gz IUQYLYYXKZJRJM-RZFLPCETSA-N 1 0 307.478 3.676 50 0 DHAARO C[N@@H+]1CCC[C@@H](OC(=O)C(C)(c2ccccc2)c2ccccc2)C1 ZINC000004872507 181167118 /nfs/dbraw/zinc/16/71/18/181167118.db2.gz QLJPWIKLVUYHFO-LJQANCHMSA-N 1 0 323.436 3.630 50 0 DHAARO Nc1ccc2[nH]c(CCCc3nc4ccccc4s3)[nH+]c2c1 ZINC000004937168 181175681 /nfs/dbraw/zinc/17/56/81/181175681.db2.gz LSGOWPVKLSLGOC-UHFFFAOYSA-N 1 0 308.410 3.930 50 0 DHAARO CCOc1ccccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000004986401 181184929 /nfs/dbraw/zinc/18/49/29/181184929.db2.gz WDLPIOPUROAXNB-UHFFFAOYSA-N 1 0 302.462 3.536 50 0 DHAARO CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000005047889 181196393 /nfs/dbraw/zinc/19/63/93/181196393.db2.gz VRVZELVHQKOTEG-UHFFFAOYSA-N 1 0 316.232 3.551 50 0 DHAARO O[C@@H](C[NH2+]C1CCCC1)COc1ccc(-c2ccccc2)cc1 ZINC000005051369 181197067 /nfs/dbraw/zinc/19/70/67/181197067.db2.gz PJTXCMBEHDWJMJ-IBGZPJMESA-N 1 0 311.425 3.626 50 0 DHAARO CC(C)[NH+](CCNc1ncnc2c3ccccc3[nH]c21)C(C)C ZINC000005253622 181222135 /nfs/dbraw/zinc/22/21/35/181222135.db2.gz LDLVSZQEUMFCHV-UHFFFAOYSA-N 1 0 311.433 3.642 50 0 DHAARO Cc1cccc(Nc2ccccc2C(=O)N2CCC([NH3+])CC2)c1C ZINC000237761235 202349389 /nfs/dbraw/zinc/34/93/89/202349389.db2.gz RRXUHBCSZDVDOJ-UHFFFAOYSA-N 1 0 323.440 3.610 50 0 DHAARO COc1cc(C[NH2+]Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000006085959 181311513 /nfs/dbraw/zinc/31/15/13/181311513.db2.gz JGOUJKBEBSJRDX-UHFFFAOYSA-N 1 0 321.804 3.656 50 0 DHAARO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1nccs1 ZINC000090916575 192945541 /nfs/dbraw/zinc/94/55/41/192945541.db2.gz ZPSIKNYSGPBYPP-TUKIKUTGSA-N 1 0 321.877 3.893 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006583920 181357018 /nfs/dbraw/zinc/35/70/18/181357018.db2.gz WWCFMRNUFNYICJ-LLVKDONJSA-N 1 0 316.232 3.599 50 0 DHAARO COCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000247818428 202690864 /nfs/dbraw/zinc/69/08/64/202690864.db2.gz CELWLMNOINYGFF-UHFFFAOYSA-N 1 0 308.425 3.816 50 0 DHAARO C[NH+](C)CCC[C@@]1(O)c2ccccc2CSc2ccccc21 ZINC000006637638 181363828 /nfs/dbraw/zinc/36/38/28/181363828.db2.gz GIGQDDWBWCUOFZ-LJQANCHMSA-N 1 0 313.466 3.870 50 0 in-vitro DHAARO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000006730395 181378403 /nfs/dbraw/zinc/37/84/03/181378403.db2.gz XDMDESGUHBKKJZ-UHFFFAOYSA-N 1 0 321.852 3.822 50 0 DHAARO Cc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1C ZINC000006731182 181378968 /nfs/dbraw/zinc/37/89/68/181378968.db2.gz IOPDAHMINQBULY-UHFFFAOYSA-N 1 0 315.461 3.786 50 0 DHAARO C[C@]12CC3CC(C(=O)NCC[NH+]4CCCCC4)(C1)C[C@@](C)(C3)C2 ZINC000006741443 181380461 /nfs/dbraw/zinc/38/04/61/181380461.db2.gz FDCYMUCMJNOQSZ-JUNHRQJPSA-N 1 0 318.505 3.585 50 0 DHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccccc1 ZINC000006784919 181387506 /nfs/dbraw/zinc/38/75/06/181387506.db2.gz FCOPCOHZETWKTQ-UHFFFAOYSA-N 1 0 309.388 3.918 50 0 DHAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000006877155 181399952 /nfs/dbraw/zinc/39/99/52/181399952.db2.gz XWQDUTXRWVORFO-UHFFFAOYSA-N 1 0 315.461 3.725 50 0 DHAARO CCC[C@H]1CN(C(=O)c2ccccc2-c2cccc(C)c2)C[C@@H]1[NH3+] ZINC000091807250 193111379 /nfs/dbraw/zinc/11/13/79/193111379.db2.gz VUUCVILJMFPLJG-PXNSSMCTSA-N 1 0 322.452 3.861 50 0 DHAARO C[C@@H](c1cccc(-c2cccc(C(=O)N(C)C)n2)c1)[NH+]1CCCC1 ZINC000216047476 201478060 /nfs/dbraw/zinc/47/80/60/201478060.db2.gz SBRYVVAZOFMDHN-HNNXBMFYSA-N 1 0 323.440 3.607 50 0 DHAARO C[C@@H](Nc1cc[nH+]c2cc(F)ccc12)c1nnc2ccccn21 ZINC000096453385 193653891 /nfs/dbraw/zinc/65/38/91/193653891.db2.gz AZGGBMAROJNJFU-LLVKDONJSA-N 1 0 307.332 3.590 50 0 DHAARO O=C(Nc1cccc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000011008428 181683579 /nfs/dbraw/zinc/68/35/79/181683579.db2.gz CJNXWUGTFZCOAJ-UHFFFAOYSA-N 1 0 309.413 3.588 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012382535 181754447 /nfs/dbraw/zinc/75/44/47/181754447.db2.gz XEAZFBXLLIAVKX-UHFFFAOYSA-N 1 0 315.244 3.596 50 0 DHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837129 182020491 /nfs/dbraw/zinc/02/04/91/182020491.db2.gz YNBXRJRBPVHRJA-SFHVURJKSA-N 1 0 313.372 3.949 50 0 DHAARO Cc1ccc(Cl)c(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247451 182038835 /nfs/dbraw/zinc/03/88/35/182038835.db2.gz MOVOREHDXHWCSR-GASCZTMLSA-N 1 0 311.853 3.917 50 0 DHAARO c1c(C[NH2+]C[C@@H]2CCCO2)c2ccccc2n1Cc1ccccc1 ZINC000016577731 182049849 /nfs/dbraw/zinc/04/98/49/182049849.db2.gz MRUNHYFQUNONMV-IBGZPJMESA-N 1 0 320.436 3.958 50 0 DHAARO O=C(Nc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016607554 182053640 /nfs/dbraw/zinc/05/36/40/182053640.db2.gz YUEUDPHPMWDTTI-UHFFFAOYSA-N 1 0 312.388 3.676 50 0 DHAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000017053641 182071753 /nfs/dbraw/zinc/07/17/53/182071753.db2.gz ZUSZCKXLJFEAHD-UHFFFAOYSA-N 1 0 316.232 3.601 50 0 DHAARO CSc1ccc(C[NH2+]C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1 ZINC000017992455 182088881 /nfs/dbraw/zinc/08/88/81/182088881.db2.gz RPTOKXUCCSHRLQ-BXXOZEPKSA-N 1 0 303.471 3.582 50 0 DHAARO COc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c(C)c1C ZINC000019537177 182128843 /nfs/dbraw/zinc/12/88/43/182128843.db2.gz NYBLKYCSHXNYCD-UHFFFAOYSA-N 1 0 324.468 3.630 50 0 DHAARO COc1cc(C)c(CN2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000019537293 182129407 /nfs/dbraw/zinc/12/94/07/182129407.db2.gz WGSNNJASZATBIN-UHFFFAOYSA-N 1 0 324.468 3.630 50 0 DHAARO CN(C)CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000019691200 182137605 /nfs/dbraw/zinc/13/76/05/182137605.db2.gz NPYXWOFYAZTRIR-UHFFFAOYSA-N 1 0 318.848 3.570 50 0 DHAARO C[NH+](C)CCOc1ccccc1-c1cccc(-c2cc[nH]n2)c1 ZINC000019741393 182141855 /nfs/dbraw/zinc/14/18/55/182141855.db2.gz URBJEUDAOYKAKU-UHFFFAOYSA-N 1 0 307.397 3.684 50 0 DHAARO CCOc1ccc(CN2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000019842276 182155683 /nfs/dbraw/zinc/15/56/83/182155683.db2.gz ZIVIVDYCEMTWPW-UHFFFAOYSA-N 1 0 324.468 3.712 50 0 DHAARO CCc1ccc(C[NH+]2CCN(Cc3ccccc3OC)CC2)cc1 ZINC000019788327 182149407 /nfs/dbraw/zinc/14/94/07/182149407.db2.gz ZUIVCYPWEZROSZ-UHFFFAOYSA-N 1 0 324.468 3.575 50 0 DHAARO CN1CC[NH+]([C@H]2Cc3ccccc3Sc3ccccc32)CC1 ZINC000019801868 182152037 /nfs/dbraw/zinc/15/20/37/182152037.db2.gz MYFNXITXHNLSJY-KRWDZBQOSA-N 1 0 310.466 3.682 50 0 DHAARO FC(F)(F)c1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000097553366 193732378 /nfs/dbraw/zinc/73/23/78/193732378.db2.gz YYJRMPFMILXOAZ-MRXNPFEDSA-N 1 0 312.379 3.766 50 0 DHAARO Oc1cccc([C@H](O)C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 ZINC000019871827 182158829 /nfs/dbraw/zinc/15/88/29/182158829.db2.gz UECKKYNEEBRMIL-OAQYLSRUSA-N 1 0 319.404 3.882 50 0 DHAARO Oc1cccc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000019871706 182159149 /nfs/dbraw/zinc/15/91/49/182159149.db2.gz FDMOJDWENIPPIZ-OAHLLOKOSA-N 1 0 312.196 3.522 50 0 DHAARO Oc1cccc([C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 ZINC000019871825 182159242 /nfs/dbraw/zinc/15/92/42/182159242.db2.gz UECKKYNEEBRMIL-NRFANRHFSA-N 1 0 319.404 3.882 50 0 DHAARO CC(C)CC[C@@H](CC[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000020519456 182226232 /nfs/dbraw/zinc/22/62/32/182226232.db2.gz SHROANCCKWVCHN-INIZCTEOSA-N 1 0 319.445 3.657 50 0 DHAARO COc1cccc2c1OC[C@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC000020514791 182226437 /nfs/dbraw/zinc/22/64/37/182226437.db2.gz AZPSQKUNHQZFNF-OAHLLOKOSA-N 1 0 309.365 3.535 50 0 DHAARO Cc1scc(C[NH+]2CCN(Cc3ccccc3)CC2)c1C ZINC000020514347 182226844 /nfs/dbraw/zinc/22/68/44/182226844.db2.gz ZCOLKOHNFCGQIG-UHFFFAOYSA-N 1 0 300.471 3.683 50 0 DHAARO COc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c1OC ZINC000021720420 182286150 /nfs/dbraw/zinc/28/61/50/182286150.db2.gz ANIZYDHQBLCQPH-OAHLLOKOSA-N 1 0 316.401 3.646 50 0 DHAARO Clc1cccc(C[NH2+]C[C@@H]2COc3ccccc3O2)c1Cl ZINC000021803539 182291453 /nfs/dbraw/zinc/29/14/53/182291453.db2.gz ZWZBTDIUNCIXCZ-GFCCVEGCSA-N 1 0 324.207 3.923 50 0 DHAARO CCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000022078838 182308301 /nfs/dbraw/zinc/30/83/01/182308301.db2.gz PWGKZFRCSNUVMF-YOEHRIQHSA-N 1 0 316.445 3.603 50 0 DHAARO Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000022463309 182322074 /nfs/dbraw/zinc/32/20/74/182322074.db2.gz BRSGPNFMXHZYJV-FQEVSTJZSA-N 1 0 322.452 3.870 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)cc1)c1cccs1 ZINC000023105465 182347818 /nfs/dbraw/zinc/34/78/18/182347818.db2.gz OJQOZRRRPMTZOK-CYBMUJFWSA-N 1 0 323.849 3.826 50 0 DHAARO C[C@H](NC(=O)C[NH2+]C(C)(C)C)c1ccc(-c2ccccc2)cc1 ZINC000024165489 182375700 /nfs/dbraw/zinc/37/57/00/182375700.db2.gz IKLJGPXCDZYURT-HNNXBMFYSA-N 1 0 310.441 3.919 50 0 DHAARO Clc1c2ccccc2sc1C[NH+]1CCC2(CC1)OCCO2 ZINC000024755269 182389717 /nfs/dbraw/zinc/38/97/17/182389717.db2.gz YCDJEUXQLSXFSU-UHFFFAOYSA-N 1 0 323.845 3.894 50 0 DHAARO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)NCc1cccs1 ZINC000024985709 182397759 /nfs/dbraw/zinc/39/77/59/182397759.db2.gz OYZDIASZDFTYCR-RYUDHWBXSA-N 1 0 322.861 3.757 50 0 DHAARO O=C(CCc1ccccc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177339 182555094 /nfs/dbraw/zinc/55/50/94/182555094.db2.gz ZQQUWHWNASOVKL-FQEVSTJZSA-N 1 0 322.452 3.573 50 0 DHAARO O[C@@H](C[NH2+]Cc1c(F)cccc1Cl)c1ccc(F)cc1F ZINC000040088606 183032935 /nfs/dbraw/zinc/03/29/35/183032935.db2.gz SEVIHQXFPVWORK-HNNXBMFYSA-N 1 0 315.722 3.581 50 0 DHAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000042227414 183244449 /nfs/dbraw/zinc/24/44/49/183244449.db2.gz ZTNNJWVILTUKBY-UHFFFAOYSA-N 1 0 321.424 3.599 50 0 DHAARO Clc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042772919 183307264 /nfs/dbraw/zinc/30/72/64/183307264.db2.gz HTZXZHIJIMTRPU-JTQLQIEISA-N 1 0 318.642 3.871 50 0 DHAARO CC(C)c1cc(Br)ccc1OCC1CC[NH2+]CC1 ZINC000042774641 183307724 /nfs/dbraw/zinc/30/77/24/183307724.db2.gz FQBKAIBBLKXLGS-UHFFFAOYSA-N 1 0 312.251 3.951 50 0 DHAARO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(CNC(C)=O)CC1 ZINC000057862081 184058452 /nfs/dbraw/zinc/05/84/52/184058452.db2.gz LHLLPNSIRHWJSK-QGZVFWFLSA-N 1 0 308.853 3.639 50 0 DHAARO Cc1ccc([C@@H](C(=O)NC2CCCC2)[NH+]2CCCCC2)cc1 ZINC000058012570 184066648 /nfs/dbraw/zinc/06/66/48/184066648.db2.gz XNDFYCSPAVCKML-SFHVURJKSA-N 1 0 300.446 3.581 50 0 DHAARO Cc1c(Cl)cccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000058323777 184105204 /nfs/dbraw/zinc/10/52/04/184105204.db2.gz PDKGVZNCHSRYOQ-CYBMUJFWSA-N 1 0 309.841 3.500 50 0 DHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CC(C)(C)C ZINC000060847805 184156973 /nfs/dbraw/zinc/15/69/73/184156973.db2.gz RLPJXNQNQYXKHE-WBVHZDCISA-N 1 0 300.446 3.566 50 0 DHAARO CC(C)[C@@H]1CCC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000063618681 184285932 /nfs/dbraw/zinc/28/59/32/184285932.db2.gz SGMASMRYGMZMHL-ZDUSSCGKSA-N 1 0 305.447 3.851 50 0 DHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(F)cc1 ZINC000065154875 184312813 /nfs/dbraw/zinc/31/28/13/184312813.db2.gz OAONNECNEVNGCN-UHFFFAOYSA-N 1 0 309.388 3.918 50 0 DHAARO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C(C)C ZINC000065322485 184324811 /nfs/dbraw/zinc/32/48/11/184324811.db2.gz KYOCBSIXSAXTGY-UHFFFAOYSA-N 1 0 314.433 3.562 50 0 DHAARO Cc1ccc(SC2CC[NH+](Cc3ccc(CO)o3)CC2)cc1 ZINC000065409111 184339911 /nfs/dbraw/zinc/33/99/11/184339911.db2.gz NHIHKZHFNWSPDA-UHFFFAOYSA-N 1 0 317.454 3.837 50 0 DHAARO Cc1c(F)cccc1NC(=O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000065456217 184347780 /nfs/dbraw/zinc/34/77/80/184347780.db2.gz JRWOZAFHHOSTOC-NSHDSACASA-N 1 0 322.330 3.702 50 0 DHAARO CC(C)(C)n1cc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cn1 ZINC000065475940 184351944 /nfs/dbraw/zinc/35/19/44/184351944.db2.gz NKZBTJMDRBIEOA-INIZCTEOSA-N 1 0 317.408 3.781 50 0 DHAARO C[C@@H](c1cccc(-c2ccc(NC3CC3)nn2)c1)[NH+]1CCCC1 ZINC000065395273 184335277 /nfs/dbraw/zinc/33/52/77/184335277.db2.gz QVXZFLPIXVXMBY-AWEZNQCLSA-N 1 0 308.429 3.875 50 0 DHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)CC1 ZINC000065395262 184335537 /nfs/dbraw/zinc/33/55/37/184335537.db2.gz PWFYKTXTSJRMBV-IBGZPJMESA-N 1 0 309.413 3.549 50 0 DHAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)Nc1cccc(F)c1 ZINC000065575518 184367852 /nfs/dbraw/zinc/36/78/52/184367852.db2.gz WAZHJRLOQLIVMF-MRXNPFEDSA-N 1 0 312.388 3.644 50 0 DHAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000241739109 256603969 /nfs/dbraw/zinc/60/39/69/256603969.db2.gz RACIXPNHACUEFU-SXGZJXTBSA-N 1 0 317.857 3.649 50 0 DHAARO Cc1ccc(-c2csc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)s1 ZINC000363447686 257235414 /nfs/dbraw/zinc/23/54/14/257235414.db2.gz WAFQKRCVMDREHJ-WCQYABFASA-N 1 0 306.456 3.716 50 0 DHAARO CC(C)(C)[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(F)cc1 ZINC000269123552 257237940 /nfs/dbraw/zinc/23/79/40/257237940.db2.gz GNKLIAWNSPICSM-HNNXBMFYSA-N 1 0 320.433 3.863 50 0 DHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237494897 257238438 /nfs/dbraw/zinc/23/84/38/257238438.db2.gz SRWLELUVGURBRO-RISCZKNCSA-N 1 0 318.417 3.506 50 0 DHAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000218913906 257240592 /nfs/dbraw/zinc/24/05/92/257240592.db2.gz ZCYDXOCZAXWALB-XJKCOSOUSA-N 1 0 306.837 3.521 50 0 DHAARO C[C@H](CCC(=O)N(C)Cc1ccccc1Cl)[NH+]1CCCC1 ZINC000426507837 257248768 /nfs/dbraw/zinc/24/87/68/257248768.db2.gz GHYCJWIYCNOIFH-CQSZACIVSA-N 1 0 308.853 3.563 50 0 DHAARO C[C@@H]1[C@H](C)[N@@H+](Cc2ccco2)CC[C@@H]1OC(=O)c1ccccc1 ZINC000004687085 257267621 /nfs/dbraw/zinc/26/76/21/257267621.db2.gz IEDBZMWATZKGIT-VKJFTORMSA-N 1 0 313.397 3.736 50 0 DHAARO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(Cc2ccccc2)o1 ZINC000071911978 184901914 /nfs/dbraw/zinc/90/19/14/184901914.db2.gz JMYNPIRIZRDSJX-PVAVHDDUSA-N 1 0 311.429 3.813 50 0 DHAARO Fc1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000000182064 134430840 /nfs/dbraw/zinc/43/08/40/134430840.db2.gz PWJQUXIRYIWJOX-UHFFFAOYSA-N 1 0 314.448 3.772 50 0 DHAARO Cc1ccc(N2CCC([NH2+][C@H](C)Cc3ncccc3C)CC2)cc1 ZINC000067803568 134836887 /nfs/dbraw/zinc/83/68/87/134836887.db2.gz CEJXZHDGQBGASD-GOSISDBHSA-N 1 0 323.484 3.888 50 0 DHAARO C[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000095422767 262545999 /nfs/dbraw/zinc/54/59/99/262545999.db2.gz FKNJFNMAMVAERV-CHWSQXEVSA-N 1 0 323.483 3.606 50 0 DHAARO Cc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000010456686 331520513 /nfs/dbraw/zinc/52/05/13/331520513.db2.gz IXPQNVVBGPGBML-UHFFFAOYSA-N 1 0 322.452 3.911 50 0 DHAARO C[C@@H](c1ccc(-c2n[nH]c3ccccc32)cc1)N1CCOCC1 ZINC000534676133 334326914 /nfs/dbraw/zinc/32/69/14/334326914.db2.gz WOCJNTFMMBJCBM-AWEZNQCLSA-N 1 0 307.397 3.623 50 0 DHAARO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1cnn(C(C)C)c1 ZINC000341393361 334438600 /nfs/dbraw/zinc/43/86/00/334438600.db2.gz LTCWJKICBRMZPD-KRWDZBQOSA-N 1 0 313.445 3.682 50 0 DHAARO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1nnc(-c2ccccc2)o1 ZINC000119880092 337382900 /nfs/dbraw/zinc/38/29/00/337382900.db2.gz YTKMXOHMHQUMLX-JSGCOSHPSA-N 1 0 315.417 3.733 50 0 DHAARO C[NH+](C)[C@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000469992765 339307289 /nfs/dbraw/zinc/30/72/89/339307289.db2.gz QPUQEYDNAYTHFP-AZRLCKCBSA-N 1 0 318.505 3.536 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000195541589 563679305 /nfs/dbraw/zinc/67/93/05/563679305.db2.gz JHZGVRGOFWFLNQ-SJORKVTESA-N 1 0 305.462 3.590 50 0 DHAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(C)c2)CC1 ZINC000003060176 563941755 /nfs/dbraw/zinc/94/17/55/563941755.db2.gz VMZKEMZRJDNFDV-OAHLLOKOSA-N 1 0 319.518 3.887 50 0 DHAARO Cc1ccc(C)c(OCCSC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000009691502 563957317 /nfs/dbraw/zinc/95/73/17/563957317.db2.gz MGQBPZIHPKNTFB-HUUCEWRRSA-N 1 0 304.459 3.686 50 0 DHAARO COCC[N@H+](Cc1nc(-c2ccc(F)cc2)oc1C)C(C)C ZINC000012000727 563360907 /nfs/dbraw/zinc/36/09/07/563360907.db2.gz OVHMGONWDGERAE-UHFFFAOYSA-N 1 0 306.381 3.646 50 0 DHAARO COc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000000172206 563227426 /nfs/dbraw/zinc/22/74/26/563227426.db2.gz FKKISYMHVXVKJI-UHFFFAOYSA-N 1 0 306.203 3.748 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000000172188 563227446 /nfs/dbraw/zinc/22/74/46/563227446.db2.gz ZXLVQDYGDDWXQR-UHFFFAOYSA-N 1 0 306.203 3.748 50 0 DHAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2F)CC1 ZINC000000207592 563230464 /nfs/dbraw/zinc/23/04/64/563230464.db2.gz RCWAKIQPMREWDY-UHFFFAOYSA-N 1 0 312.432 3.922 50 0 DHAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccc(F)cc1 ZINC000000383055 563247991 /nfs/dbraw/zinc/24/79/91/563247991.db2.gz YWFIXCGNWMHCTQ-AWEZNQCLSA-N 1 0 301.361 3.503 50 0 DHAARO CC[NH+](CC)C[C@@H](O)Cn1c2ccc(C)cc2c2c1CCCC2 ZINC000000384444 563248262 /nfs/dbraw/zinc/24/82/62/563248262.db2.gz SSFTXRODJYFAFR-MRXNPFEDSA-N 1 0 314.473 3.531 50 0 DHAARO CC[N@H+](CCC(=O)Nc1cccc(OC)c1)Cc1ccccc1 ZINC000000454763 563257288 /nfs/dbraw/zinc/25/72/88/563257288.db2.gz LNPYGHASYXBYPJ-UHFFFAOYSA-N 1 0 312.413 3.546 50 0 DHAARO O[C@@H](C[NH2+]Cc1ccco1)Cn1c2ccccc2c2ccccc21 ZINC000002293278 563302269 /nfs/dbraw/zinc/30/22/69/563302269.db2.gz PWDXMUGOYSJNDS-HNNXBMFYSA-N 1 0 320.392 3.538 50 0 DHAARO COc1ccc(C[C@H](C)[NH2+][C@H](C)CCCC(C)(C)O)cc1OC ZINC000002498987 563304404 /nfs/dbraw/zinc/30/44/04/563304404.db2.gz IVWGNEFIUYLTIU-CABCVRRESA-N 1 0 323.477 3.554 50 0 DHAARO CCOC(=O)CCCCC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514598 563305216 /nfs/dbraw/zinc/30/52/16/563305216.db2.gz AOWSJRVVAUCUBN-UHFFFAOYSA-N 1 0 317.429 3.589 50 0 DHAARO C[NH+](C)CCOCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002824117 563314302 /nfs/dbraw/zinc/31/43/02/563314302.db2.gz CMXRCYUGRLXSHQ-UHFFFAOYSA-N 1 0 312.624 3.604 50 0 DHAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000002828249 563314367 /nfs/dbraw/zinc/31/43/67/563314367.db2.gz OGBRPHXDDFDNKN-QGZVFWFLSA-N 1 0 322.452 3.776 50 0 DHAARO Cc1ccc(C)c(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000004981232 563328253 /nfs/dbraw/zinc/32/82/53/563328253.db2.gz SOSROSOPGZRZNB-NRFANRHFSA-N 1 0 320.480 3.983 50 0 DHAARO C[C@@H]1[C@H](C)SCCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000071911152 563333445 /nfs/dbraw/zinc/33/34/45/563333445.db2.gz PIMVHAPQPRLHEI-MNOVXSKESA-N 1 0 323.849 3.716 50 0 DHAARO CCCCOc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)cc1 ZINC000584904396 563338484 /nfs/dbraw/zinc/33/84/84/563338484.db2.gz COKPFBSWXKLWQT-VQIMIIECSA-N 1 0 302.462 3.534 50 0 DHAARO CCOCCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540947 563339396 /nfs/dbraw/zinc/33/93/96/563339396.db2.gz YOVANIXPRNACFF-AWEZNQCLSA-N 1 0 303.402 3.516 50 0 DHAARO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C(C)(C)O)cs2)cc1 ZINC000119060686 563342447 /nfs/dbraw/zinc/34/24/47/563342447.db2.gz SLQGKRUGIJXZCA-INIZCTEOSA-N 1 0 316.470 3.854 50 0 DHAARO Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCC3)c(C)c1 ZINC000002966152 563345070 /nfs/dbraw/zinc/34/50/70/563345070.db2.gz KUSUFICDGNHDNE-NRFANRHFSA-N 1 0 321.444 3.564 50 0 DHAARO COc1cccc(C[NH2+]C(C)C)c1OCc1ccccc1F ZINC000010435879 563356570 /nfs/dbraw/zinc/35/65/70/563356570.db2.gz DALRDKHQOQMEBZ-UHFFFAOYSA-N 1 0 303.377 3.911 50 0 DHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1SC ZINC000010543042 563357371 /nfs/dbraw/zinc/35/73/71/563357371.db2.gz OFKKGBQSAIHIRT-HNNXBMFYSA-N 1 0 320.502 3.793 50 0 DHAARO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)o1 ZINC000011999125 563361178 /nfs/dbraw/zinc/36/11/78/563361178.db2.gz LDAPSYCGCLRWGU-INIZCTEOSA-N 1 0 318.461 3.813 50 0 DHAARO CCC[N@@H+]1CCC[C@](CCOc2ccccc2)(C(=O)OCC)C1 ZINC000012206024 563364641 /nfs/dbraw/zinc/36/46/41/563364641.db2.gz OSKJUIBQMJUSFB-LJQANCHMSA-N 1 0 319.445 3.511 50 0 DHAARO C/C=C/c1ccc(OCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000012343376 563366882 /nfs/dbraw/zinc/36/68/82/563366882.db2.gz UXWDHYCZFMMUQB-LFZXJUCQSA-N 1 0 319.445 3.606 50 0 DHAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012585161 563371252 /nfs/dbraw/zinc/37/12/52/563371252.db2.gz PGZYXUITEBJPNU-INIZCTEOSA-N 1 0 314.429 3.959 50 0 DHAARO OCC1(Cc2ccccc2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012706388 563372475 /nfs/dbraw/zinc/37/24/75/563372475.db2.gz OZVGYTARDUNCIN-UHFFFAOYSA-N 1 0 313.416 3.643 50 0 DHAARO C[C@@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccccc1Cl ZINC000013075442 563377634 /nfs/dbraw/zinc/37/76/34/563377634.db2.gz RYQBKZWLIYAIJP-LBPRGKRZSA-N 1 0 320.795 3.938 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000013135395 563379044 /nfs/dbraw/zinc/37/90/44/563379044.db2.gz SZXXXOBSIGXURT-WCQYABFASA-N 1 0 318.244 3.608 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000013325985 563380867 /nfs/dbraw/zinc/38/08/67/563380867.db2.gz NMBLRXJNEFHDJP-UHFFFAOYSA-N 1 0 315.244 3.598 50 0 DHAARO Fc1ccccc1CC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731621 563387859 /nfs/dbraw/zinc/38/78/59/563387859.db2.gz GDTUFVKSVAKAGK-UHFFFAOYSA-N 1 0 323.371 3.740 50 0 DHAARO COc1ccc(C[N@H+](C)Cc2nc3ccccc3nc2C)cc1 ZINC000032751359 563389499 /nfs/dbraw/zinc/38/94/99/563389499.db2.gz OFUUDGIMQRVRER-UHFFFAOYSA-N 1 0 307.397 3.579 50 0 DHAARO COc1ccc(-c2cc(C[N@@H+]3CCc4ccccc4C3)on2)cc1 ZINC000014067309 563394833 /nfs/dbraw/zinc/39/48/33/563394833.db2.gz VWHILKNPCLYNFO-UHFFFAOYSA-N 1 0 320.392 3.909 50 0 DHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000015070997 563406711 /nfs/dbraw/zinc/40/67/11/563406711.db2.gz KAALEHBGCAADDQ-HNNXBMFYSA-N 1 0 319.399 3.841 50 0 DHAARO COc1cccc(C[N@H+](C)Cc2cccc3cccnc32)c1OC ZINC000032901295 563410390 /nfs/dbraw/zinc/41/03/90/563410390.db2.gz QDGFDSRTWRZKPD-UHFFFAOYSA-N 1 0 322.408 3.884 50 0 DHAARO CN(C)CC[NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000020548454 563417584 /nfs/dbraw/zinc/41/75/84/563417584.db2.gz SJTZTKSEPKJZMN-RTBURBONSA-N 1 0 318.505 3.517 50 0 DHAARO Clc1ccccc1-c1n[nH]c2c1C[N@@H+]([C@@H]1CCSC1)CC2 ZINC000020542040 563417786 /nfs/dbraw/zinc/41/77/86/563417786.db2.gz OPOPMCQBDJCKRU-LLVKDONJSA-N 1 0 319.861 3.594 50 0 DHAARO O=C(Nc1cccc2c1CCC2)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023214112 563420106 /nfs/dbraw/zinc/42/01/06/563420106.db2.gz PAZQREGESLKLPI-OAHLLOKOSA-N 1 0 312.438 3.914 50 0 DHAARO c1sc(-c2ncccn2)nc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069894799 563421031 /nfs/dbraw/zinc/42/10/31/563421031.db2.gz DXSXYUOEBGQCOP-HNNXBMFYSA-N 1 0 322.437 3.590 50 0 DHAARO COc1ccc(-c2nnc([C@@H](C)[N@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000025507890 563423602 /nfs/dbraw/zinc/42/36/02/563423602.db2.gz QCBYCAKLDSMCBZ-HZSPNIEDSA-N 1 0 315.417 3.784 50 0 DHAARO CC[NH+](CC)CCNc1nc2c(s1)c(Cl)ccc2OC ZINC000026424129 563426113 /nfs/dbraw/zinc/42/61/13/563426113.db2.gz LQXAWWOHJXBHAU-UHFFFAOYSA-N 1 0 313.854 3.712 50 0 DHAARO CC(C)[C@H](C)[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000026670120 563426689 /nfs/dbraw/zinc/42/66/89/563426689.db2.gz URVBNQAKOGENGQ-NSHDSACASA-N 1 0 312.816 3.927 50 0 DHAARO Cc1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000027581867 563428761 /nfs/dbraw/zinc/42/87/61/563428761.db2.gz JQMBMAIUENZUJR-FQEVSTJZSA-N 1 0 322.452 3.952 50 0 DHAARO CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027793093 563430295 /nfs/dbraw/zinc/43/02/95/563430295.db2.gz GRJACNMGYWJFSY-SFHVURJKSA-N 1 0 302.462 3.684 50 0 DHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1 ZINC000028292014 563431743 /nfs/dbraw/zinc/43/17/43/563431743.db2.gz BOGSOCYYADMCRF-LJQANCHMSA-N 1 0 308.425 3.644 50 0 DHAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCc2ccccc21 ZINC000029488888 563434630 /nfs/dbraw/zinc/43/46/30/563434630.db2.gz AGFZHTISROCYEO-FQEVSTJZSA-N 1 0 303.409 3.992 50 0 DHAARO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029482473 563434784 /nfs/dbraw/zinc/43/47/84/563434784.db2.gz IFXMNTPZMWPJOE-SFHVURJKSA-N 1 0 308.425 3.861 50 0 DHAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c(C)c1 ZINC000029483047 563434795 /nfs/dbraw/zinc/43/47/95/563434795.db2.gz XPCLIYMLTBDGBM-IBGZPJMESA-N 1 0 308.425 3.861 50 0 DHAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2)cc1 ZINC000030640280 563437797 /nfs/dbraw/zinc/43/77/97/563437797.db2.gz MVZIDGWFXCROOY-CQSZACIVSA-N 1 0 312.413 3.895 50 0 DHAARO Cc1cc(OC[C@@H](O)C[NH+]2CCCCCC2)ccc1C(C)C ZINC000000438894 563447530 /nfs/dbraw/zinc/44/75/30/563447530.db2.gz CDTVLVPRUAHJGR-KRWDZBQOSA-N 1 0 305.462 3.734 50 0 DHAARO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000023280787 563449059 /nfs/dbraw/zinc/44/90/59/563449059.db2.gz ZUAYZODUIWDEIQ-UHFFFAOYSA-N 1 0 319.807 3.963 50 0 DHAARO COc1cc2[nH+]c(NCc3ccccn3)cc(C)c2c(OC)c1 ZINC000023634334 563450389 /nfs/dbraw/zinc/45/03/89/563450389.db2.gz JHTZFZRBCWAQGK-UHFFFAOYSA-N 1 0 309.369 3.568 50 0 DHAARO Cc1c(C)n(C(=O)CN2CCc3ccccc3C2)c2ccccc12 ZINC000034847909 563451995 /nfs/dbraw/zinc/45/19/95/563451995.db2.gz UNKDCRKXAIQPAE-UHFFFAOYSA-N 1 0 318.420 3.957 50 0 DHAARO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1cccc(OCCO)c1 ZINC000055270444 563473534 /nfs/dbraw/zinc/47/35/34/563473534.db2.gz WOOWASBKCIMNAW-INIZCTEOSA-N 1 0 317.429 3.697 50 0 DHAARO CC(=O)Oc1c(C)cc(CN(C)[C@@H](C)c2nccs2)cc1C ZINC000055371288 563474752 /nfs/dbraw/zinc/47/47/52/563474752.db2.gz HVWOBEMLXNWSBK-ZDUSSCGKSA-N 1 0 318.442 3.878 50 0 DHAARO C[C@H]1C[C@H]([N@H+](C)CCc2ccncc2)CCN1Cc1ccccc1 ZINC000096414925 563480580 /nfs/dbraw/zinc/48/05/80/563480580.db2.gz ZIVXBPAXOUVBBE-GHTZIAJQSA-N 1 0 323.484 3.609 50 0 DHAARO CC[C@H](C)c1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)on1 ZINC000096423574 563481875 /nfs/dbraw/zinc/48/18/75/563481875.db2.gz FGEGUZKSSHQODX-LBPRGKRZSA-N 1 0 301.390 3.502 50 0 DHAARO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1ccncc1 ZINC000096478335 563484730 /nfs/dbraw/zinc/48/47/30/563484730.db2.gz UEZIAWQSUQRXAG-SUMWQHHRSA-N 1 0 300.402 3.901 50 0 DHAARO Cc1nc(C)c(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)s1 ZINC000096486372 563484972 /nfs/dbraw/zinc/48/49/72/563484972.db2.gz ZATPWJOVCLIQBD-BONVTDFDSA-N 1 0 308.422 3.501 50 0 DHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(CC)no2)cc1 ZINC000064667001 563486158 /nfs/dbraw/zinc/48/61/58/563486158.db2.gz AGRKGZARGBMKOX-QGZVFWFLSA-N 1 0 300.402 3.973 50 0 DHAARO CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C)c2Cl)C1 ZINC000067784657 563490517 /nfs/dbraw/zinc/49/05/17/563490517.db2.gz XUCDMTHYYCRKRG-AWEZNQCLSA-N 1 0 308.853 3.500 50 0 DHAARO Cc1nc(C[NH3+])cc(N(C)[C@H](C)c2cccc3ccccc32)n1 ZINC000067805611 563491629 /nfs/dbraw/zinc/49/16/29/563491629.db2.gz VEQIGEKBQLVHII-CYBMUJFWSA-N 1 0 306.413 3.594 50 0 DHAARO C[C@]1(C(c2ccccc2)c2ccccc2)[NH2+]CCc2nc[nH]c21 ZINC000067842453 563492052 /nfs/dbraw/zinc/49/20/52/563492052.db2.gz NEKRMRIRZFNVPJ-HXUWFJFHSA-N 1 0 303.409 3.603 50 0 DHAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)nc2ccccc21 ZINC000067842233 563492256 /nfs/dbraw/zinc/49/22/56/563492256.db2.gz GDOMOLMNXOVMTD-OAHLLOKOSA-N 1 0 323.444 3.720 50 0 DHAARO COc1cc(Oc2ccc(Cl)nn2)ccc1C[NH+]1CCCC1 ZINC000067920592 563493361 /nfs/dbraw/zinc/49/33/61/563493361.db2.gz IEIFOHKIWCHEMA-UHFFFAOYSA-N 1 0 319.792 3.527 50 0 DHAARO CC(=O)NCC[C@H]1CCC[N@H+](Cc2c(C)ccc3ccccc32)C1 ZINC000067975801 563493781 /nfs/dbraw/zinc/49/37/81/563493781.db2.gz GCHQROZGEDFSAO-GOSISDBHSA-N 1 0 324.468 3.886 50 0 DHAARO C[C@@H](c1cccc(-c2nccn2Cc2cccnc2)c1)[NH+](C)C ZINC000067955597 563494228 /nfs/dbraw/zinc/49/42/28/563494228.db2.gz TZUIMIKXJZBELM-HNNXBMFYSA-N 1 0 306.413 3.616 50 0 DHAARO FC(F)(F)c1ccc(-c2n[nH]c3c2C[N@H+](CC2CC2)CC3)cc1 ZINC000067981652 563494260 /nfs/dbraw/zinc/49/42/60/563494260.db2.gz BBRQXZMWSUUMBQ-UHFFFAOYSA-N 1 0 321.346 3.864 50 0 DHAARO CC(C)=CCC/C(C)=C/CNc1nc(C)nc2c1CC[NH2+]C2 ZINC000067954756 563494314 /nfs/dbraw/zinc/49/43/14/563494314.db2.gz UNVOIDFYNJQWQU-RIYZIHGNSA-N 1 0 300.450 3.535 50 0 DHAARO CCO[C@H]1C[C@H]([NH2+]Cc2nc3ccccc3o2)C1(CC)CC ZINC000097164320 563507741 /nfs/dbraw/zinc/50/77/41/563507741.db2.gz LLMUKIKUYXFHMS-HOTGVXAUSA-N 1 0 302.418 3.901 50 0 DHAARO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C)cc1 ZINC000097307722 563538803 /nfs/dbraw/zinc/53/88/03/563538803.db2.gz HNWGVMVWVMGUFX-HXUWFJFHSA-N 1 0 322.452 3.763 50 0 DHAARO FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000097600955 563540083 /nfs/dbraw/zinc/54/00/83/563540083.db2.gz KTSCPIDAKUNRMB-CQSZACIVSA-N 1 0 323.362 3.814 50 0 DHAARO CCNC(=O)c1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nc1 ZINC000097654107 563541282 /nfs/dbraw/zinc/54/12/82/563541282.db2.gz ASOMQDZEMJHERH-HNNXBMFYSA-N 1 0 323.440 3.655 50 0 DHAARO COCc1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)ncn1 ZINC000097730177 563541859 /nfs/dbraw/zinc/54/18/59/563541859.db2.gz JXHQCYWOCXVXRD-OAHLLOKOSA-N 1 0 311.429 3.837 50 0 DHAARO [NH3+][C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000097713518 563542037 /nfs/dbraw/zinc/54/20/37/563542037.db2.gz LYJDZEMAWVYWHE-MRXNPFEDSA-N 1 0 309.413 3.699 50 0 DHAARO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2[nH]cnc2C)cc1 ZINC000102593117 563559855 /nfs/dbraw/zinc/55/98/55/563559855.db2.gz SSKDLUUTQOEJOG-BJWYYQGGSA-N 1 0 311.429 3.637 50 0 DHAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(O)cc3)c2c1 ZINC000000144089 563573436 /nfs/dbraw/zinc/57/34/36/563573436.db2.gz AENXFLNPOUBCED-UHFFFAOYSA-N 1 0 308.337 3.779 50 0 DHAARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCCCC1 ZINC000000212200 563578648 /nfs/dbraw/zinc/57/86/48/563578648.db2.gz YJIJWKMUBGQTJC-INIZCTEOSA-N 1 0 320.864 3.565 50 0 DHAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(c3ccccc3)CCCC1)C2 ZINC000100747758 563600077 /nfs/dbraw/zinc/60/00/77/563600077.db2.gz WQIVCNLLAVUHIE-PIIMJCKOSA-N 1 0 313.441 3.667 50 0 biogenic DHAARO CC(C)=CCC[C@H](C)C[N@H+]1CCc2nnc(C(C)C)n2CC1 ZINC000011967771 563602825 /nfs/dbraw/zinc/60/28/25/563602825.db2.gz OOTPWYZBVDWKEW-INIZCTEOSA-N 1 0 304.482 3.642 50 0 DHAARO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CCN1CCCCC1 ZINC000128261852 563605325 /nfs/dbraw/zinc/60/53/25/563605325.db2.gz FWZFXCLHMZAPDY-QGZVFWFLSA-N 1 0 300.446 3.508 50 0 DHAARO CCC[NH+](CCC)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000003164816 563622394 /nfs/dbraw/zinc/62/23/94/563622394.db2.gz HOGOBLWZJBGFCX-QGZVFWFLSA-N 1 0 307.478 3.846 50 0 DHAARO Cc1ccc(N2C(=O)[C@H](C[NH+]3CCCC3)[C@H]2c2ccccc2)cc1 ZINC000005541435 563623508 /nfs/dbraw/zinc/62/35/08/563623508.db2.gz WZTQWILGFCKYHD-WOJBJXKFSA-N 1 0 320.436 3.795 50 0 DHAARO Cc1cccc(C)c1NC(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000583651152 563651724 /nfs/dbraw/zinc/65/17/24/563651724.db2.gz IFZQQOUOKNKASK-IAGOWNOFSA-N 1 0 317.477 3.888 50 0 DHAARO COc1ccc(CC[C@H](C)[N@H+](CCO)Cc2ccccc2)cc1 ZINC000012383420 563652275 /nfs/dbraw/zinc/65/22/75/563652275.db2.gz GURHREYCFDPEIW-KRWDZBQOSA-N 1 0 313.441 3.511 50 0 DHAARO c1sc(-c2ncccn2)nc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000051229715 563668170 /nfs/dbraw/zinc/66/81/70/563668170.db2.gz DLGBWFZDZJBWHP-ZIAGYGMSSA-N 1 0 314.458 3.612 50 0 DHAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc3ccccc3o2)C1 ZINC000046991012 563678323 /nfs/dbraw/zinc/67/83/23/563678323.db2.gz HYJNRLKNNHFHOL-HNNXBMFYSA-N 1 0 314.429 3.675 50 0 DHAARO Cc1ccc(-c2nc(C[N@H+](C[C@@H]3CCOC3)C3CC3)cs2)o1 ZINC000044975366 563687045 /nfs/dbraw/zinc/68/70/45/563687045.db2.gz HJEMSAFUUXKMJG-ZDUSSCGKSA-N 1 0 318.442 3.712 50 0 DHAARO CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000048286884 563694699 /nfs/dbraw/zinc/69/46/99/563694699.db2.gz SMSPZZLTZYZTNL-HXUWFJFHSA-N 1 0 322.452 3.747 50 0 DHAARO OC1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000048326068 563696467 /nfs/dbraw/zinc/69/64/67/563696467.db2.gz BVCHZSCQJSPRPV-UHFFFAOYSA-N 1 0 305.418 3.947 50 0 DHAARO CCOc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](O)CC3)o2)cc1 ZINC000215106570 563704693 /nfs/dbraw/zinc/70/46/93/563704693.db2.gz OZAXQNKZWSUJRJ-INIZCTEOSA-N 1 0 315.413 3.692 50 0 DHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000215100657 563704751 /nfs/dbraw/zinc/70/47/51/563704751.db2.gz BOANAYBNRUKTEH-GOSISDBHSA-N 1 0 322.412 3.814 50 0 DHAARO Cc1c[nH]c(CN(C)Cc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000215361492 563705070 /nfs/dbraw/zinc/70/50/70/563705070.db2.gz SOZHBYNZJKLBCQ-UHFFFAOYSA-N 1 0 316.405 3.613 50 0 DHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccsc1 ZINC000216346940 563709127 /nfs/dbraw/zinc/70/91/27/563709127.db2.gz JLTNRBBPRXLELE-KRWDZBQOSA-N 1 0 314.454 3.705 50 0 DHAARO CCn1cncc1C[N@@H+]1CCC[C@@H](COc2ccccc2C)C1 ZINC000216289654 563709314 /nfs/dbraw/zinc/70/93/14/563709314.db2.gz AIRHRQPRKLDSSU-QGZVFWFLSA-N 1 0 313.445 3.502 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c2ccccc12 ZINC000000811132 563718832 /nfs/dbraw/zinc/71/88/32/563718832.db2.gz RJMNRFYYYWPFQK-LPHOPBHVSA-N 1 0 322.452 3.970 50 0 DHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)NC1CCCCC1 ZINC000012355711 563722427 /nfs/dbraw/zinc/72/24/27/563722427.db2.gz YPKFAGRRKOQMNG-INIZCTEOSA-N 1 0 321.490 3.517 50 0 DHAARO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc([S@@](C)=O)cc1 ZINC000221893765 563723985 /nfs/dbraw/zinc/72/39/85/563723985.db2.gz BBRREWZPCAPMSZ-BPGAAWKESA-N 1 0 317.429 3.901 50 0 DHAARO CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000225443942 563755275 /nfs/dbraw/zinc/75/52/75/563755275.db2.gz BZQKFFNPAXDRNA-MRXNPFEDSA-N 1 0 311.429 3.771 50 0 DHAARO Cn1nccc1CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000242242299 563778044 /nfs/dbraw/zinc/77/80/44/563778044.db2.gz XTQUIJLMIDWNBL-IBGZPJMESA-N 1 0 308.429 3.671 50 0 DHAARO CC[C@@H](CO)[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248171341 563782782 /nfs/dbraw/zinc/78/27/82/563782782.db2.gz WHSRLTNINOMQOI-IBGZPJMESA-N 1 0 322.452 3.859 50 0 DHAARO CCn1nc(C[NH2+]CCC2=CCCCC2)c(-c2ccccc2)n1 ZINC000249696878 563783429 /nfs/dbraw/zinc/78/34/29/563783429.db2.gz UAVQRHKNFPJEKU-UHFFFAOYSA-N 1 0 310.445 3.945 50 0 DHAARO CC(C)[C@H](NC(=O)CC[NH+]1CCCCCCC1)c1ccccn1 ZINC000299788466 563806304 /nfs/dbraw/zinc/80/63/04/563806304.db2.gz SPXGUWLYBQBVAB-IBGZPJMESA-N 1 0 317.477 3.551 50 0 DHAARO C[NH+](C)[C@@H]1CCC[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000001301879 563810469 /nfs/dbraw/zinc/81/04/69/563810469.db2.gz KWBLUDBBNZTNOA-MOPGFXCFSA-N 1 0 323.436 3.844 50 0 DHAARO C[C@H]1CCC(C)(C)N1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000662020572 563830798 /nfs/dbraw/zinc/83/07/98/563830798.db2.gz TWVMXSMKWPBYHJ-INIZCTEOSA-N 1 0 314.473 3.688 50 0 DHAARO Cc1c2ccccc2oc1C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000085324669 563834949 /nfs/dbraw/zinc/83/49/49/563834949.db2.gz YKOBJQLIVVIQEV-QFIPXVFZSA-N 1 0 313.422 3.768 50 0 DHAARO CC[C@@H]([NH2+]Cc1cc[nH]c1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000086254343 563844817 /nfs/dbraw/zinc/84/48/17/563844817.db2.gz KWSDZVXVSHIWKR-HUUCEWRRSA-N 1 0 312.335 3.635 50 0 DHAARO O=C1CCCN1C1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1 ZINC000078972654 563861648 /nfs/dbraw/zinc/86/16/48/563861648.db2.gz YBKPAWFILVJLJG-LJQANCHMSA-N 1 0 312.457 3.541 50 0 DHAARO C/C(=C\Cc1c(C)[nH+]c(N)nc1N)c1ccc(Cl)c(Cl)c1 ZINC000075273399 563862177 /nfs/dbraw/zinc/86/21/77/563862177.db2.gz YEEIFOVOJGLXNO-FPYGCLRLSA-N 1 0 323.227 3.902 50 0 DHAARO CO[C@H](C[NH2+][C@H](C)c1cnc(C)nc1C)c1ccccc1Cl ZINC000090453403 563870526 /nfs/dbraw/zinc/87/05/26/563870526.db2.gz JRVXACUDALASGE-PIGZYNQJSA-N 1 0 319.836 3.785 50 0 DHAARO CCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000229664550 563870912 /nfs/dbraw/zinc/87/09/12/563870912.db2.gz PWGKZFRCSNUVMF-PBHICJAKSA-N 1 0 316.445 3.603 50 0 DHAARO C[C@H](C(=O)Nc1ccccc1F)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000239377915 563879919 /nfs/dbraw/zinc/87/99/19/563879919.db2.gz OECUEFNXBZEQOJ-KFWWJZLASA-N 1 0 304.409 3.665 50 0 DHAARO FC(F)Sc1ccccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000242106248 563881036 /nfs/dbraw/zinc/88/10/36/563881036.db2.gz WIDWDKBBZYOUKT-AWEZNQCLSA-N 1 0 312.429 3.671 50 0 DHAARO CCC[N@@H+](Cc1cccs1)C[C@H](O)COCc1ccccc1 ZINC000036096615 563893565 /nfs/dbraw/zinc/89/35/65/563893565.db2.gz YXEISEMAYRVOJO-KRWDZBQOSA-N 1 0 319.470 3.538 50 0 DHAARO CCC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000036102774 563893692 /nfs/dbraw/zinc/89/36/92/563893692.db2.gz FCUVMQURXKWLPW-LJQANCHMSA-N 1 0 313.441 3.858 50 0 DHAARO CCCC[NH+]1CCC(NC(=O)c2scc(C)c2Cl)CC1 ZINC000252489092 563916116 /nfs/dbraw/zinc/91/61/16/563916116.db2.gz JFEHSXHQUXPCIW-UHFFFAOYSA-N 1 0 314.882 3.704 50 0 DHAARO CC(C)[N@@H+](Cc1cccs1)C[C@@H](O)COCc1ccccc1 ZINC000036103353 563894469 /nfs/dbraw/zinc/89/44/69/563894469.db2.gz ODUNOJLHYWADCI-QGZVFWFLSA-N 1 0 319.470 3.536 50 0 DHAARO Cc1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c(C)c1 ZINC000154709703 563894858 /nfs/dbraw/zinc/89/48/58/563894858.db2.gz YNZWBHUBAITRLX-GHTZIAJQSA-N 1 0 301.455 3.513 50 0 DHAARO CCCCOc1ccc(C(=O)O[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000036383899 563897597 /nfs/dbraw/zinc/89/75/97/563897597.db2.gz RIKXLROQYQSOHV-RVKKMQEKSA-N 1 0 319.445 3.751 50 0 DHAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C)C1)c1cccc2ccccc21 ZINC000036422069 563899234 /nfs/dbraw/zinc/89/92/34/563899234.db2.gz PMKGCAPOHFZFLU-JKSUJKDBSA-N 1 0 310.441 3.749 50 0 DHAARO C[C@@H]1CCCCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000007486616 563906675 /nfs/dbraw/zinc/90/66/75/563906675.db2.gz MHXDTKJROKZEHM-LLVKDONJSA-N 1 0 300.324 3.518 50 0 DHAARO CC(C)[N@@H+]1CC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000170595071 563906968 /nfs/dbraw/zinc/90/69/68/563906968.db2.gz VIBYLWFRYUJCFY-SNVBAGLBSA-N 1 0 307.747 3.648 50 0 DHAARO CCc1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000170614576 563908414 /nfs/dbraw/zinc/90/84/14/563908414.db2.gz IDCSVKOSOCNXGC-QGZVFWFLSA-N 1 0 316.470 3.620 50 0 DHAARO Cc1nc(C)c(C[NH2+][C@H]2CCCc3c2cnn3C(C)(C)C)s1 ZINC000076018128 563911801 /nfs/dbraw/zinc/91/18/01/563911801.db2.gz MEFBHUNLNUVQFR-AWEZNQCLSA-N 1 0 318.490 3.879 50 0 DHAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000076057848 563912134 /nfs/dbraw/zinc/91/21/34/563912134.db2.gz BOUPWRCEYDKMBK-FOIQADDNSA-N 1 0 322.452 3.576 50 0 DHAARO C[C@@H]([NH2+]Cc1ccncc1)c1ccc(OCC2CC2)c(F)c1 ZINC000089904723 563912201 /nfs/dbraw/zinc/91/22/01/563912201.db2.gz BVQNEPSORXVCSO-CYBMUJFWSA-N 1 0 300.377 3.860 50 0 DHAARO Cc1cc(C)cc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000252457270 563915141 /nfs/dbraw/zinc/91/51/41/563915141.db2.gz SCSLOYNFQURBCX-CVEARBPZSA-N 1 0 319.518 3.853 50 0 DHAARO C[NH+](C)Cc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000054572288 563916017 /nfs/dbraw/zinc/91/60/17/563916017.db2.gz XXPBXKFCQSNFBH-UHFFFAOYSA-N 1 0 321.380 3.656 50 0 DHAARO COc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000252510857 563916501 /nfs/dbraw/zinc/91/65/01/563916501.db2.gz CHEFIUIZGVKAAA-LZLXCTOHSA-N 1 0 303.446 3.676 50 0 DHAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252517696 563916821 /nfs/dbraw/zinc/91/68/21/563916821.db2.gz OTWPDRCIRATEGQ-RYRKJORJSA-N 1 0 312.457 3.649 50 0 DHAARO Cc1cnn(Cc2ccc(NC3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000195557900 563919787 /nfs/dbraw/zinc/91/97/87/563919787.db2.gz NAYCLPAWYVRTHH-UHFFFAOYSA-N 1 0 312.461 3.525 50 0 DHAARO CC1CC[NH+](CCCOc2ccc(Br)cc2)CC1 ZINC000117073311 563928549 /nfs/dbraw/zinc/92/85/49/563928549.db2.gz GRYYGFITZASOQW-UHFFFAOYSA-N 1 0 312.251 3.950 50 0 DHAARO COCc1cc(C[NH2+][C@@H](C)c2ccccc2OC)ccc1F ZINC000095422707 563931294 /nfs/dbraw/zinc/93/12/94/563931294.db2.gz SENBGZQEUWMVCG-ZDUSSCGKSA-N 1 0 303.377 3.832 50 0 DHAARO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000095422764 563931306 /nfs/dbraw/zinc/93/13/06/563931306.db2.gz FKNJFNMAMVAERV-STQMWFEESA-N 1 0 323.483 3.606 50 0 DHAARO C[C@H]([NH2+]C[C@H]1CCCn2cc(C(C)(C)C)nc21)c1ccncc1 ZINC000095402214 563931434 /nfs/dbraw/zinc/93/14/34/563931434.db2.gz WZIQWIQQMPDDON-GOEBONIOSA-N 1 0 312.461 3.804 50 0 DHAARO Cc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccn3)c2C)s1 ZINC000095420459 563931440 /nfs/dbraw/zinc/93/14/40/563931440.db2.gz BUMMUXAGCREJGP-CYBMUJFWSA-N 1 0 312.442 3.796 50 0 DHAARO C[C@H]([NH2+]CCCn1cccn1)c1ccc(OC(C)(C)C)cc1 ZINC000095943437 563931941 /nfs/dbraw/zinc/93/19/41/563931941.db2.gz UBUBPGGORUGKQN-HNNXBMFYSA-N 1 0 301.434 3.801 50 0 DHAARO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000095969291 563933359 /nfs/dbraw/zinc/93/33/59/563933359.db2.gz LDTQWKRPCJSWQI-GJZGRUSLSA-N 1 0 301.434 3.757 50 0 DHAARO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000095978821 563933689 /nfs/dbraw/zinc/93/36/89/563933689.db2.gz SASGBDYPFVGVTD-HNNXBMFYSA-N 1 0 320.433 3.685 50 0 DHAARO c1cnc2c(c1)cccc2NC1CC[NH+](Cc2ccncc2)CC1 ZINC000095990454 563934071 /nfs/dbraw/zinc/93/40/71/563934071.db2.gz AXQSVZKZSBTKCP-UHFFFAOYSA-N 1 0 318.424 3.706 50 0 DHAARO C[C@H]([NH2+]C1(c2cccc(F)c2)CCOCC1)c1ccccn1 ZINC000095991470 563934460 /nfs/dbraw/zinc/93/44/60/563934460.db2.gz OSACPJZEDAIHSI-AWEZNQCLSA-N 1 0 300.377 3.577 50 0 DHAARO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000096004793 563934657 /nfs/dbraw/zinc/93/46/57/563934657.db2.gz GQUZPZNUBPYAKL-ZDUSSCGKSA-N 1 0 310.376 3.566 50 0 DHAARO Cc1cc(C[NH2+]Cc2cccc(-c3nc[nH]n3)c2)ccc1Cl ZINC000096002092 563934665 /nfs/dbraw/zinc/93/46/65/563934665.db2.gz YMMDTMXISZEPSB-UHFFFAOYSA-N 1 0 312.804 3.723 50 0 DHAARO Cn1cc(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)cn1 ZINC000096476682 563937247 /nfs/dbraw/zinc/93/72/47/563937247.db2.gz IPMBLXIKMYNPPZ-CQSZACIVSA-N 1 0 307.850 3.790 50 0 DHAARO Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000097159739 563937782 /nfs/dbraw/zinc/93/77/82/563937782.db2.gz JGHYNKOZUADUHI-IBGZPJMESA-N 1 0 318.424 3.649 50 0 DHAARO C[S@@](=O)c1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000230203005 563942169 /nfs/dbraw/zinc/94/21/69/563942169.db2.gz NFNSDAMWQCWVPB-WIYYLYMNSA-N 1 0 303.471 3.746 50 0 DHAARO C[N@H+](Cc1ccc2ncccc2c1)C1CSCCSC1 ZINC000670436534 563943484 /nfs/dbraw/zinc/94/34/84/563943484.db2.gz BMYSRDXCIUZPRS-UHFFFAOYSA-N 1 0 304.484 3.515 50 0 DHAARO Cc1nc2ccccc2n1C[C@H](O)c1ccc(OC(F)F)cc1 ZINC000058140460 563943776 /nfs/dbraw/zinc/94/37/76/563943776.db2.gz BBQRVNLGANCMLJ-INIZCTEOSA-N 1 0 318.323 3.680 50 0 DHAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)c(F)c1 ZINC000670461327 563945452 /nfs/dbraw/zinc/94/54/52/563945452.db2.gz ZWJSLGHCWRHHID-ITGUQSILSA-N 1 0 317.326 3.986 50 0 DHAARO C[N@H+](CC(=O)Nc1cccc(F)c1)[C@H]1CCCc2ccccc21 ZINC000008126912 563946910 /nfs/dbraw/zinc/94/69/10/563946910.db2.gz NTZIHQKVYFVHCK-SFHVURJKSA-N 1 0 312.388 3.774 50 0 DHAARO COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000008324103 563947782 /nfs/dbraw/zinc/94/77/82/563947782.db2.gz JXFOIVVDURXZBO-SLTAFYQDSA-N 1 0 304.434 3.581 50 0 DHAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000066989131 563948269 /nfs/dbraw/zinc/94/82/69/563948269.db2.gz YJZANFVQRQNTCI-ZWKOTPCHSA-N 1 0 322.433 3.558 50 0 DHAARO Cc1cccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)c1 ZINC000008613180 563949537 /nfs/dbraw/zinc/94/95/37/563949537.db2.gz QDXUQNAIKYASTJ-IBGZPJMESA-N 1 0 314.473 3.866 50 0 DHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1Cl ZINC000069489806 563953234 /nfs/dbraw/zinc/95/32/34/563953234.db2.gz ZCDOTDFLIKKUMY-MRXNPFEDSA-N 1 0 317.820 3.834 50 0 DHAARO COc1ccc(Cl)cc1CSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000009722574 563957574 /nfs/dbraw/zinc/95/75/74/563957574.db2.gz ODDKGRZCRWWFJM-STQMWFEESA-N 1 0 310.850 3.852 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000010329597 563958543 /nfs/dbraw/zinc/95/85/43/563958543.db2.gz SWMWGOHOJPAEKC-INIZCTEOSA-N 1 0 320.795 3.512 50 0 DHAARO Cc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010281601 563958548 /nfs/dbraw/zinc/95/85/48/563958548.db2.gz WPXMXLQSKIXWHE-UHFFFAOYSA-N 1 0 322.452 3.911 50 0 DHAARO COc1ccc(C[C@H](C)[NH2+][C@H](C)Cc2ccccc2)cc1OC ZINC000320571083 563960294 /nfs/dbraw/zinc/96/02/94/563960294.db2.gz QHQBHDHZRNEONH-CVEARBPZSA-N 1 0 313.441 3.856 50 0 DHAARO C[C@H]([NH2+]CCc1ccsc1)c1ccc(N2CCOC2=O)cc1 ZINC000177726832 1014061445 /nfs/dbraw/zinc/06/14/45/1014061445.db2.gz JZHGVBYWJJGVGY-ZDUSSCGKSA-N 1 0 316.426 3.598 50 0 DHAARO Cc1ccc(OCCOCC[N@@H+](C)Cc2ccccc2)cc1C ZINC000002825511 1016561769 /nfs/dbraw/zinc/56/17/69/1016561769.db2.gz XQYHHNOKSZFXOO-UHFFFAOYSA-N 1 0 313.441 3.831 50 0 DHAARO CCCOc1c(Cl)cccc1NC(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000952863713 1032663224 /nfs/dbraw/zinc/66/32/24/1032663224.db2.gz VXEHXBUGWBDRRO-ZDUSSCGKSA-N 1 0 324.852 3.942 50 0 DHAARO CSc1ccc(C[NH2+]CCC(=O)Nc2cccc(C)c2)cc1 ZINC000952861139 1032663434 /nfs/dbraw/zinc/66/34/34/1032663434.db2.gz XWLNATXGKDSTEF-UHFFFAOYSA-N 1 0 314.454 3.835 50 0 DHAARO CCC(=O)NC1CC[NH+](Cc2c(C)ccc3ccccc32)CC1 ZINC000952876070 1032669006 /nfs/dbraw/zinc/66/90/06/1032669006.db2.gz KIBMBQRWFCFOBY-UHFFFAOYSA-N 1 0 310.441 3.639 50 0 DHAARO COc1cc([C@H](C)[NH2+]C2CC(c3cc(F)cc(F)c3)C2)ccn1 ZINC000952963582 1032672364 /nfs/dbraw/zinc/67/23/64/1032672364.db2.gz ZAUWRXIAUBTOHG-HUZSNBGSSA-N 1 0 318.367 3.965 50 0 DHAARO c1ccc([C@@H](C[NH2+]Cc2ccncc2)N2CCCCCC2)cc1 ZINC000952960257 1032671887 /nfs/dbraw/zinc/67/18/87/1032671887.db2.gz SWTBBPXLSPGIPF-HXUWFJFHSA-N 1 0 309.457 3.789 50 0 DHAARO CC(C)c1cccc(C(=O)N(C)CC[N@H+](C)C2CCCC2)c1 ZINC000952970540 1032675272 /nfs/dbraw/zinc/67/52/72/1032675272.db2.gz CZPTYVAULHFCAL-UHFFFAOYSA-N 1 0 302.462 3.756 50 0 DHAARO CCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1CO ZINC000952968395 1032679475 /nfs/dbraw/zinc/67/94/75/1032679475.db2.gz LMUJPFKZQOXBJE-HNNXBMFYSA-N 1 0 314.429 3.556 50 0 DHAARO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CN=S(C)(C)=O)C1 ZINC000952994143 1032682180 /nfs/dbraw/zinc/68/21/80/1032682180.db2.gz VLSUNPHSEASGTC-RDJZCZTQSA-N 1 0 308.491 3.577 50 0 DHAARO [NH3+][C@H](c1nc(-c2ccco2)nn1-c1cccnc1)C1CCCCC1 ZINC000952991462 1032686926 /nfs/dbraw/zinc/68/69/26/1032686926.db2.gz SDBVWXKMVZGYAY-INIZCTEOSA-N 1 0 323.400 3.502 50 0 DHAARO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000186141330 1017912724 /nfs/dbraw/zinc/91/27/24/1017912724.db2.gz WKOPWPPIFLCJPW-LBPRGKRZSA-N 1 0 318.442 3.791 50 0 DHAARO CCc1nc2c(s1)[C@@H]([NH2+]Cc1c(CC)noc1CC)CCC2 ZINC000166966319 1019548310 /nfs/dbraw/zinc/54/83/10/1019548310.db2.gz ZQAYAYBSWCAYBT-ZDUSSCGKSA-N 1 0 319.474 3.986 50 0 DHAARO CCCC[N@H+](Cc1ccccc1)[C@H]1CCC(=O)N(CC)CC1 ZINC000012281162 1020008415 /nfs/dbraw/zinc/00/84/15/1020008415.db2.gz BFMXMAHYQBPNNM-SFHVURJKSA-N 1 0 302.462 3.690 50 0 DHAARO COc1ccc(CC[N@H+](C)Cc2cc(F)ccc2F)cc1OC ZINC000023280081 1020469094 /nfs/dbraw/zinc/46/90/94/1020469094.db2.gz DJXPUSQJDDPBHZ-UHFFFAOYSA-N 1 0 321.367 3.657 50 0 DHAARO COc1cc2c(cc1OC)C[N@H+](CCCc1ccccc1)CC2 ZINC000023281566 1020479168 /nfs/dbraw/zinc/47/91/68/1020479168.db2.gz KPRWPTLKWDWLRJ-UHFFFAOYSA-N 1 0 311.425 3.695 50 0 DHAARO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000194934303 1020674813 /nfs/dbraw/zinc/67/48/13/1020674813.db2.gz DLTNRGLJCWAQBV-SFHVURJKSA-N 1 0 315.417 3.518 50 0 DHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccs3)CC2)CC1 ZINC000581788083 1020905750 /nfs/dbraw/zinc/90/57/50/1020905750.db2.gz SKBHMWVWXALWQS-INIZCTEOSA-N 1 0 320.502 3.722 50 0 DHAARO O=C(Nc1cccc2cnccc21)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023619084 1021091006 /nfs/dbraw/zinc/09/10/06/1021091006.db2.gz KKVZAOJKGRDEIW-HNNXBMFYSA-N 1 0 323.421 3.973 50 0 DHAARO Clc1ccc(-c2cc(CN3CCOCC34CCC4)on2)cc1 ZINC000135501952 1021567369 /nfs/dbraw/zinc/56/73/69/1021567369.db2.gz LVRMFVJGJZRSCI-UHFFFAOYSA-N 1 0 318.804 3.750 50 0 DHAARO Cc1cnc(-c2ccccc2)n1[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000581808122 1021850872 /nfs/dbraw/zinc/85/08/72/1021850872.db2.gz QFUDGZJIMIPCRS-LJQANCHMSA-N 1 0 318.424 3.701 50 0 DHAARO C[N@H+](CCC1(O)CCCC1)Cc1ccccc1C(F)(F)F ZINC000215660712 1024525124 /nfs/dbraw/zinc/52/51/24/1024525124.db2.gz RTNKULAYVOLHCN-UHFFFAOYSA-N 1 0 301.352 3.832 50 0 DHAARO CC(C)n1cc(C[N@H+](CCCO)Cc2ccc(Cl)cc2)cn1 ZINC000215877441 1025193385 /nfs/dbraw/zinc/19/33/85/1025193385.db2.gz DGSNJQKULOWEKA-UHFFFAOYSA-N 1 0 321.852 3.502 50 0 DHAARO Fc1ccc(C2([NH2+]C/C=C\c3ccco3)CCOCC2)cc1 ZINC000886009054 1025436097 /nfs/dbraw/zinc/43/60/97/1025436097.db2.gz HOKQNUWDMMDFDU-IWQZZHSRSA-N 1 0 301.361 3.727 50 0 DHAARO C[NH+](C)CCOc1ccc(CNc2cccc3cccnc32)cc1 ZINC000032519426 1035745811 /nfs/dbraw/zinc/74/58/11/1035745811.db2.gz SQMLUZZRTUQNCH-UHFFFAOYSA-N 1 0 321.424 3.787 50 0 DHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000196099862 1036064883 /nfs/dbraw/zinc/06/48/83/1036064883.db2.gz LSIYVDOERTWEAR-QGZVFWFLSA-N 1 0 324.468 3.889 50 0 DHAARO Cc1cc(N2CCC[N@@H+](C)CC2)nc2c(C)c(Cl)ccc12 ZINC000032593013 1036336544 /nfs/dbraw/zinc/33/65/44/1036336544.db2.gz NYOVWIVLAIALQK-UHFFFAOYSA-N 1 0 303.837 3.647 50 0 DHAARO Clc1ccccc1-c1cnc(C[N@@H+]2CC[C@]3(CCOC3)C2)o1 ZINC000153723130 1037174120 /nfs/dbraw/zinc/17/41/20/1037174120.db2.gz BAJODZHOMWZGIK-KRWDZBQOSA-N 1 0 318.804 3.607 50 0 DHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000084736230 1038425859 /nfs/dbraw/zinc/42/58/59/1038425859.db2.gz KHGINXKUQOGREB-AXJDHONKSA-N 1 0 314.473 3.573 50 0 DHAARO CN1CCCCCC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]2C1=O ZINC000257185650 1040899756 /nfs/dbraw/zinc/89/97/56/1040899756.db2.gz XHFHXLNYYRFRQC-MOPGFXCFSA-N 1 0 314.473 3.690 50 0 DHAARO Cc1ccccc1[C@@H](C)[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000089689146 1041065401 /nfs/dbraw/zinc/06/54/01/1041065401.db2.gz RPKKUWSVJDDMPB-MRXNPFEDSA-N 1 0 310.441 3.590 50 0 DHAARO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)C1(c2ccccc2)CCCC1 ZINC000225407434 201703683 /nfs/dbraw/zinc/70/36/83/201703683.db2.gz HQFZEECYLGEPCI-MJGOQNOKSA-N 1 0 317.473 3.672 50 0 DHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CCCc2nc(C)no2)cc1 ZINC000078970880 185137323 /nfs/dbraw/zinc/13/73/23/185137323.db2.gz ZNSLKXJNDDOBIY-KRWDZBQOSA-N 1 0 315.417 3.546 50 0 DHAARO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cccc2ccccc21 ZINC000079000539 185144296 /nfs/dbraw/zinc/14/42/96/185144296.db2.gz DZALNNOSSXEZSZ-LBPRGKRZSA-N 1 0 310.422 3.851 50 0 DHAARO CC[C@H]([NH2+]Cc1ccc(OC)c(NC(C)=O)c1)c1ccccc1 ZINC000079030378 185147451 /nfs/dbraw/zinc/14/74/51/185147451.db2.gz YZWMAGSRULDGGO-KRWDZBQOSA-N 1 0 312.413 3.895 50 0 DHAARO CC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000079029635 185147652 /nfs/dbraw/zinc/14/76/52/185147652.db2.gz YVILFDXRBRCRHL-HXUWFJFHSA-N 1 0 309.457 3.787 50 0 DHAARO CCCCSCc1cc(C(=O)N2CCCC[C@H]([NH3+])C2)oc1C ZINC000082161409 185174116 /nfs/dbraw/zinc/17/41/16/185174116.db2.gz PBTKWLBBQVZMPX-HNNXBMFYSA-N 1 0 324.490 3.575 50 0 DHAARO OCc1ccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)o1 ZINC000088765506 185264463 /nfs/dbraw/zinc/26/44/63/185264463.db2.gz CKYOVJSKWXHHOV-SFHVURJKSA-N 1 0 303.377 3.932 50 0 DHAARO OCc1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)o1 ZINC000088765504 185264506 /nfs/dbraw/zinc/26/45/06/185264506.db2.gz CKYOVJSKWXHHOV-GOSISDBHSA-N 1 0 303.377 3.932 50 0 DHAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(SC)CCOCC1 ZINC000090112541 185282821 /nfs/dbraw/zinc/28/28/21/185282821.db2.gz MVAKIXVAFLCEBV-KRWDZBQOSA-N 1 0 321.486 3.574 50 0 DHAARO C[C@H]1C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2ccsc2S1 ZINC000090455476 185297463 /nfs/dbraw/zinc/29/74/63/185297463.db2.gz QXLKQBXMTODBIX-PXWWUCIGSA-N 1 0 305.472 3.544 50 0 DHAARO O[C@H]1C[N@H+](Cc2cccc(-c3ccco3)c2)Cc2ccccc21 ZINC000082126514 192359750 /nfs/dbraw/zinc/35/97/50/192359750.db2.gz MGKBTBOQEORYDG-IBGZPJMESA-N 1 0 305.377 3.996 50 0 DHAARO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000095396811 185352928 /nfs/dbraw/zinc/35/29/28/185352928.db2.gz FBIQGFFGJXSQOW-INIZCTEOSA-N 1 0 324.424 3.503 50 0 DHAARO CCSc1ccccc1NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000095407644 185356288 /nfs/dbraw/zinc/35/62/88/185356288.db2.gz URWDNHMFHXDPIY-AWEZNQCLSA-N 1 0 321.490 3.604 50 0 DHAARO c1cn(-c2ccc(C[NH2+][C@@H](CC3CC3)c3ccccc3)cn2)cn1 ZINC000095409541 185356912 /nfs/dbraw/zinc/35/69/12/185356912.db2.gz ILCOXBSXFGXWOV-IBGZPJMESA-N 1 0 318.424 3.898 50 0 DHAARO C[C@H](c1ccc2ccccc2c1)[N@H+](C)CCCCS(C)(=O)=O ZINC000095413829 185358364 /nfs/dbraw/zinc/35/83/64/185358364.db2.gz WCVGWLBSBIEJRV-OAHLLOKOSA-N 1 0 319.470 3.657 50 0 DHAARO COc1cc([C@@H](C)[NH2+]CCc2ccccn2)ccc1SC ZINC000095419161 185359897 /nfs/dbraw/zinc/35/98/97/185359897.db2.gz KYZMWKNRHOYHAG-CYBMUJFWSA-N 1 0 302.443 3.705 50 0 DHAARO COc1cccc2cc([C@H](C)[NH2+][C@@H](C)C3CCOCC3)oc21 ZINC000095419647 185360001 /nfs/dbraw/zinc/36/00/01/185360001.db2.gz SJUDFDRNBYVODX-STQMWFEESA-N 1 0 303.402 3.907 50 0 DHAARO COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)C3CCOCC3)oc21 ZINC000095419648 185360161 /nfs/dbraw/zinc/36/01/61/185360161.db2.gz SJUDFDRNBYVODX-QWHCGFSZSA-N 1 0 303.402 3.907 50 0 DHAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095423671 185361291 /nfs/dbraw/zinc/36/12/91/185361291.db2.gz YDQZGRCFHHXKIA-QWFCFKBJSA-N 1 0 321.420 3.681 50 0 DHAARO c1nc(CNc2cccc(OCC[NH+]3CCCCC3)c2)cs1 ZINC000095429062 185362671 /nfs/dbraw/zinc/36/26/71/185362671.db2.gz RSGQTWFDMIDBQN-UHFFFAOYSA-N 1 0 317.458 3.620 50 0 DHAARO COc1ccc2oc(C[NH2+]CCc3nc(C)cs3)cc2c1 ZINC000095448613 185368293 /nfs/dbraw/zinc/36/82/93/185368293.db2.gz UDXBIBCBYWRWDD-UHFFFAOYSA-N 1 0 302.399 3.539 50 0 DHAARO CN(C)c1cc[nH+]cc1CNCc1ccc(Cl)cc1Cl ZINC000095467218 185372009 /nfs/dbraw/zinc/37/20/09/185372009.db2.gz FUTGPZDLYFXTMU-UHFFFAOYSA-N 1 0 310.228 3.744 50 0 DHAARO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000095459376 185370773 /nfs/dbraw/zinc/37/07/73/185370773.db2.gz JQTVAIJKYXKXIO-VHSXEESVSA-N 1 0 303.233 3.956 50 0 DHAARO C[NH+]1CCC(CNC(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000067654871 190713567 /nfs/dbraw/zinc/71/35/67/190713567.db2.gz ZIPLIAOXQIYKLO-UHFFFAOYSA-N 1 0 324.424 3.551 50 0 DHAARO Cn1c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc2sc1=O ZINC000170619055 197793117 /nfs/dbraw/zinc/79/31/17/197793117.db2.gz CXIXFSWYJVRTJW-UHFFFAOYSA-N 1 0 306.475 3.904 50 0 DHAARO OC[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccn(Cc2ccccc2)c1 ZINC000126637875 185880478 /nfs/dbraw/zinc/88/04/78/185880478.db2.gz KZPDRXAOTNZSII-UXHICEINSA-N 1 0 312.457 3.567 50 0 DHAARO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccccc1Br ZINC000083704512 192379206 /nfs/dbraw/zinc/37/92/06/192379206.db2.gz GTMIWUDLXGRLPE-UKRRQHHQSA-N 1 0 323.278 3.508 50 0 DHAARO Cc1c2cccc(Cl)c2oc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000071846616 191030878 /nfs/dbraw/zinc/03/08/78/191030878.db2.gz YHHBDYVUJUYERE-UHFFFAOYSA-N 1 0 320.820 3.561 50 0 DHAARO Cc1ccc(CN(Cc2ccncc2)C2CC[NH+](C)CC2)s1 ZINC000072147755 191053657 /nfs/dbraw/zinc/05/36/57/191053657.db2.gz GIBFODZBHKFBGH-UHFFFAOYSA-N 1 0 315.486 3.548 50 0 DHAARO C[C@@H](c1cccs1)N(C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000139526962 186022462 /nfs/dbraw/zinc/02/24/62/186022462.db2.gz JCRNBJAIUXJRNE-NSHDSACASA-N 1 0 321.446 3.665 50 0 DHAARO C[NH+](C)[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000072150629 191056528 /nfs/dbraw/zinc/05/65/28/191056528.db2.gz DNCFRPRDBWMHFV-QGZVFWFLSA-N 1 0 322.880 3.605 50 0 DHAARO Cc1cc(-c2nnc(C[N@@H+](C)[C@@H]3CCCC[C@H]3C)o2)c(C)o1 ZINC000253370194 186301115 /nfs/dbraw/zinc/30/11/15/186301115.db2.gz NPLHIJKKNIZWBC-IAQYHMDHSA-N 1 0 303.406 3.957 50 0 DHAARO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072406940 191152847 /nfs/dbraw/zinc/15/28/47/191152847.db2.gz FNHYKOVNMFKOSV-UHFFFAOYSA-N 1 0 316.445 3.627 50 0 DHAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000072409636 191154384 /nfs/dbraw/zinc/15/43/84/191154384.db2.gz OMCVMZZZFMMSCA-UHFFFAOYSA-N 1 0 317.473 3.535 50 0 DHAARO OCC[NH2+][C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002049801 180908213 /nfs/dbraw/zinc/90/82/13/180908213.db2.gz RHNKSODMKAMSHB-AWEZNQCLSA-N 1 0 305.830 3.670 50 0 DHAARO Cc1cccc(-n2nc(-c3ccccc3)n[n+]2-c2ccccc2)c1 ZINC000002527992 180932665 /nfs/dbraw/zinc/93/26/65/180932665.db2.gz CWLPJJCRHVODNG-UHFFFAOYSA-N 1 0 313.384 3.519 50 0 DHAARO Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCC3)c(C)c1 ZINC000002966154 180973063 /nfs/dbraw/zinc/97/30/63/180973063.db2.gz KUSUFICDGNHDNE-OAQYLSRUSA-N 1 0 321.444 3.564 50 0 DHAARO C[N@H+](CC(=O)c1cccc(Br)c1)C1CCCCC1 ZINC000003293106 181001608 /nfs/dbraw/zinc/00/16/08/181001608.db2.gz QQJNSIGQCSQFHE-UHFFFAOYSA-N 1 0 310.235 3.896 50 0 DHAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)[NH2+]CC2 ZINC000004012414 181062171 /nfs/dbraw/zinc/06/21/71/181062171.db2.gz INWMRQARFUAODH-YUELXQCFSA-N 1 0 300.229 3.949 50 0 DHAARO O[C@@H](C[NH2+]C1CCCC1)COCCC12CC3CC(CC(C3)C1)C2 ZINC000004320492 181097423 /nfs/dbraw/zinc/09/74/23/181097423.db2.gz SCYMQUHOVOMRRN-DRZUXFPHSA-N 1 0 321.505 3.503 50 0 DHAARO CC1(C)CC(NC(=O)Cc2cccc3ccccc32)CC(C)(C)[NH2+]1 ZINC000004454686 181110799 /nfs/dbraw/zinc/11/07/99/181110799.db2.gz PTWOAUBIVLHBAL-UHFFFAOYSA-N 1 0 324.468 3.808 50 0 DHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 ZINC000004555581 181124206 /nfs/dbraw/zinc/12/42/06/181124206.db2.gz FJRPBKJDGNWZPX-HNNXBMFYSA-N 1 0 313.426 3.555 50 0 DHAARO CC(C)CC[NH2+][C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004673488 181134870 /nfs/dbraw/zinc/13/48/70/181134870.db2.gz HXADPMAIANZNBX-IBGZPJMESA-N 1 0 308.425 3.977 50 0 DHAARO Cc1ccc(C[NH+](CCCn2ccnc2)Cc2ccc(C)o2)o1 ZINC000004679409 181136252 /nfs/dbraw/zinc/13/62/52/181136252.db2.gz SHGJFSDCLTUVEJ-UHFFFAOYSA-N 1 0 313.401 3.778 50 0 DHAARO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000004745136 181147121 /nfs/dbraw/zinc/14/71/21/181147121.db2.gz XSZADWPKCACZTJ-IBGZPJMESA-N 1 0 314.473 3.610 50 0 DHAARO C[NH+](C)CCOC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000004774199 181150226 /nfs/dbraw/zinc/15/02/26/181150226.db2.gz TZPXKNPXXIMINY-UHFFFAOYSA-N 1 0 311.596 3.757 50 0 DHAARO CC(=O)CCc1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000004841297 181161411 /nfs/dbraw/zinc/16/14/11/181161411.db2.gz REGZQDSTHGGIPL-UHFFFAOYSA-N 1 0 303.446 3.853 50 0 DHAARO Clc1c(OCC[NH2+]C[C@@H]2CCCO2)ccc2ccccc21 ZINC000004842749 181162086 /nfs/dbraw/zinc/16/20/86/181162086.db2.gz PAWZGNCMCDPCHJ-AWEZNQCLSA-N 1 0 305.805 3.641 50 0 DHAARO COc1ccc(Br)cc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004989251 181185773 /nfs/dbraw/zinc/18/57/73/181185773.db2.gz FZIRFTYTVDUSAZ-TXEJJXNPSA-N 1 0 312.251 3.936 50 0 DHAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000005073470 181201484 /nfs/dbraw/zinc/20/14/84/181201484.db2.gz FXAIWIDYRBAWFK-RHSMWYFYSA-N 1 0 319.832 3.739 50 0 DHAARO COc1ccc(CC[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC000005701409 181274297 /nfs/dbraw/zinc/27/42/97/181274297.db2.gz IMQAIUSPGHCWKB-UHFFFAOYSA-N 1 0 310.441 3.628 50 0 DHAARO CC(C)c1ccc(NC(=S)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000005807925 181285528 /nfs/dbraw/zinc/28/55/28/181285528.db2.gz WAECPGBPGOHGFZ-OAHLLOKOSA-N 1 0 319.518 3.971 50 0 DHAARO Cc1cc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C(C)C ZINC000006008660 181305454 /nfs/dbraw/zinc/30/54/54/181305454.db2.gz IBEOLOWEHFZXPQ-JZXOWHBKSA-N 1 0 319.489 3.836 50 0 DHAARO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2cccc(O)c2)n1 ZINC000194931719 201313677 /nfs/dbraw/zinc/31/36/77/201313677.db2.gz DOKGOHMVCCNXLH-OAHLLOKOSA-N 1 0 307.397 3.737 50 0 DHAARO CCOc1ccc(Br)cc1C[NH2+]Cc1ccncc1 ZINC000006709835 181376125 /nfs/dbraw/zinc/37/61/25/181376125.db2.gz ZTEDUCVGUNORFS-UHFFFAOYSA-N 1 0 321.218 3.533 50 0 DHAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000006719446 181376786 /nfs/dbraw/zinc/37/67/86/181376786.db2.gz FIHTYFDWZRVGAH-CYBMUJFWSA-N 1 0 301.386 3.563 50 0 DHAARO CCC[NH+]1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000006731355 181379002 /nfs/dbraw/zinc/37/90/02/181379002.db2.gz XDEOGBGTRRBYQC-UHFFFAOYSA-N 1 0 311.429 3.836 50 0 DHAARO FCCCCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000092065837 193150818 /nfs/dbraw/zinc/15/08/18/193150818.db2.gz CXMFIOOHCNIZHK-PKOBYXMFSA-N 1 0 322.443 3.862 50 0 DHAARO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000221899765 201596825 /nfs/dbraw/zinc/59/68/25/201596825.db2.gz QTNIENXVWLGHLX-CWRNSKLLSA-N 1 0 320.502 3.840 50 0 DHAARO CCCn1nc(C)c(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1C ZINC000093444955 193252609 /nfs/dbraw/zinc/25/26/09/193252609.db2.gz VOMGCURWBJJXLE-IBGZPJMESA-N 1 0 312.461 3.950 50 0 DHAARO Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c(C)s1 ZINC000095968569 193465712 /nfs/dbraw/zinc/46/57/12/193465712.db2.gz GIEMTTHYQUQLEW-ZYHUDNBSSA-N 1 0 305.491 3.997 50 0 DHAARO C[N@H+](CCNc1nc(-c2ccccc2F)no1)C1CCCCC1 ZINC000015770772 182015592 /nfs/dbraw/zinc/01/55/92/182015592.db2.gz LJRBCFCFQRDDAI-UHFFFAOYSA-N 1 0 318.396 3.552 50 0 DHAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(OC)c2)cc1 ZINC000015837086 182020728 /nfs/dbraw/zinc/02/07/28/182020728.db2.gz NJWUCBHQBONIBW-KRWDZBQOSA-N 1 0 313.397 3.747 50 0 DHAARO CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016607030 182053488 /nfs/dbraw/zinc/05/34/88/182053488.db2.gz VLBSYRUOIHSQMN-CQSZACIVSA-N 1 0 322.880 3.857 50 0 DHAARO Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CSCCSC1 ZINC000019145700 182106218 /nfs/dbraw/zinc/10/62/18/182106218.db2.gz FLJPLFOSQFCXTC-AWEZNQCLSA-N 1 0 311.516 3.509 50 0 DHAARO c1ccc2cc(C[NH+]3CCN(Cc4ccncc4)CC3)ccc2c1 ZINC000019364142 182118790 /nfs/dbraw/zinc/11/87/90/182118790.db2.gz PFWINLNXGKNRPN-UHFFFAOYSA-N 1 0 317.436 3.553 50 0 DHAARO CN(C)CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000019582944 182132007 /nfs/dbraw/zinc/13/20/07/182132007.db2.gz LSHGOJAKYYHSBJ-UHFFFAOYSA-N 1 0 313.228 3.905 50 0 DHAARO CSc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019537361 182129180 /nfs/dbraw/zinc/12/91/80/182129180.db2.gz ZSUDDTIXNLTYNP-UHFFFAOYSA-N 1 0 312.482 3.726 50 0 DHAARO CCOc1ccc2ccccc2c1CNCC[NH+](CC)CC ZINC000019691223 182137422 /nfs/dbraw/zinc/13/74/22/182137422.db2.gz QDBDEIAZCYEWEO-UHFFFAOYSA-N 1 0 300.446 3.670 50 0 DHAARO FC(F)(F)c1cccc(C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000019720824 182138392 /nfs/dbraw/zinc/13/83/92/182138392.db2.gz RXFIUMGIJSPXSH-UHFFFAOYSA-N 1 0 323.314 3.766 50 0 DHAARO CN(CC[NH+](C)C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000019606546 182132871 /nfs/dbraw/zinc/13/28/71/182132871.db2.gz ASCMQKXLTWCRQZ-UHFFFAOYSA-N 1 0 320.521 3.981 50 0 DHAARO COc1ccc(CC[NH2+]Cc2ccc(Cl)cc2)cc1OC ZINC000019787149 182148380 /nfs/dbraw/zinc/14/83/80/182148380.db2.gz XEVDRUFMRVHRHO-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO Fc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019809347 182152515 /nfs/dbraw/zinc/15/25/15/182152515.db2.gz RATADBWLJOREEE-UHFFFAOYSA-N 1 0 323.415 3.625 50 0 DHAARO Clc1ccccc1-c1ccc(C[NH2+][C@@H]2CN3CCC2CC3)o1 ZINC000020477446 182221496 /nfs/dbraw/zinc/22/14/96/182221496.db2.gz SMPICGBYIZJAQK-QGZVFWFLSA-N 1 0 316.832 3.784 50 0 DHAARO CN(CCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 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CN1CCC([N@H+](C)Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000023281550 182355602 /nfs/dbraw/zinc/35/56/02/182355602.db2.gz DDYNVYTYLGPHBG-UHFFFAOYSA-N 1 0 324.468 3.792 50 0 DHAARO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccccc2OC)cc1 ZINC000023283361 182355973 /nfs/dbraw/zinc/35/59/73/182355973.db2.gz FQSFOQZRQUUTGX-MRXNPFEDSA-N 1 0 313.441 3.857 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cl)c1)c1cccs1 ZINC000023105517 182347881 /nfs/dbraw/zinc/34/78/81/182347881.db2.gz IJENMLOGUNJOJA-CYBMUJFWSA-N 1 0 323.849 3.826 50 0 DHAARO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2cc[nH]n2)s1 ZINC000023367735 182357975 /nfs/dbraw/zinc/35/79/75/182357975.db2.gz HEGMTEVVMUDRHA-GFCCVEGCSA-N 1 0 318.446 3.516 50 0 DHAARO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 ZINC000024255412 182377752 /nfs/dbraw/zinc/37/77/52/182377752.db2.gz JTIYAINVUVYNAK-MRXNPFEDSA-N 1 0 302.805 3.680 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1cccc(Cl)c1 ZINC000024985727 182397870 /nfs/dbraw/zinc/39/78/70/182397870.db2.gz OYZDIASZDFTYCR-NEPJUHHUSA-N 1 0 322.861 3.757 50 0 DHAARO CC(C)[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000040020150 183028375 /nfs/dbraw/zinc/02/83/75/183028375.db2.gz OZRVVVJFFFLTPJ-KBXCAEBGSA-N 1 0 306.425 3.513 50 0 DHAARO CC[NH+](CC)CCCNC(=O)c1cc2c(cccc2F)s1 ZINC000040159507 183041421 /nfs/dbraw/zinc/04/14/21/183041421.db2.gz FMEYUXWHIYVQDM-UHFFFAOYSA-N 1 0 308.422 3.502 50 0 DHAARO Cc1cc(C)c(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c(C)c1 ZINC000040088597 183033042 /nfs/dbraw/zinc/03/30/42/183033042.db2.gz JTYBYOVSNNCKOC-SFHVURJKSA-N 1 0 305.368 3.713 50 0 DHAARO CC(C)(C)c1cc(Br)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042770458 183306606 /nfs/dbraw/zinc/30/66/06/183306606.db2.gz ZUQXZXCUQOJKKV-LLVKDONJSA-N 1 0 312.251 3.735 50 0 DHAARO Cc1cc(O[C@@H]2CCC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042774435 183307611 /nfs/dbraw/zinc/30/76/11/183307611.db2.gz BYPOTIALBSDIMO-SNVBAGLBSA-N 1 0 318.642 3.850 50 0 DHAARO Brc1cc(-c2ccccc2)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042774755 183308062 /nfs/dbraw/zinc/30/80/62/183308062.db2.gz CLDWEXYLGINHEU-CQSZACIVSA-N 1 0 318.214 3.857 50 0 DHAARO CCCc1ccccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000044079046 183394041 /nfs/dbraw/zinc/39/40/41/183394041.db2.gz DOVFYVZDNZHVQN-UHFFFAOYSA-N 1 0 317.477 3.881 50 0 DHAARO CS[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000106088068 194186387 /nfs/dbraw/zinc/18/63/87/194186387.db2.gz HIKANEAPRBBLDM-KBPBESRZSA-N 1 0 306.475 3.609 50 0 DHAARO CC[C@@H](C)[N@H+](C)CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000106532050 194225961 /nfs/dbraw/zinc/22/59/61/194225961.db2.gz UPGMDYHXTQQDAH-HZPDHXFCSA-N 1 0 304.478 3.793 50 0 DHAARO CCC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000048302083 183641304 /nfs/dbraw/zinc/64/13/04/183641304.db2.gz MPAVCBJCRCPKQR-GOSISDBHSA-N 1 0 302.462 3.559 50 0 DHAARO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000051991164 183844934 /nfs/dbraw/zinc/84/49/34/183844934.db2.gz UDBLNKWMZORIJP-CHWSQXEVSA-N 1 0 305.365 3.692 50 0 DHAARO 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184113519 /nfs/dbraw/zinc/11/35/19/184113519.db2.gz LRVWBUUFQCLCGG-GFCCVEGCSA-N 1 0 306.479 3.522 50 0 DHAARO CC(C)(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060239085 184145371 /nfs/dbraw/zinc/14/53/71/184145371.db2.gz HLZDZYDALMFSEH-UHFFFAOYSA-N 1 0 302.462 3.725 50 0 DHAARO CCc1cc2c(ncnc2NC[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000059402384 184138681 /nfs/dbraw/zinc/13/86/81/184138681.db2.gz MXSTUFWSEFQBFE-CYBMUJFWSA-N 1 0 318.490 3.788 50 0 DHAARO COc1ccccc1Oc1ncccc1C[NH2+]Cc1ccncc1 ZINC000064157691 184292715 /nfs/dbraw/zinc/29/27/15/184292715.db2.gz MUDPVQVXNSAJKG-UHFFFAOYSA-N 1 0 321.380 3.567 50 0 DHAARO CCOc1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000065376305 184331187 /nfs/dbraw/zinc/33/11/87/184331187.db2.gz HMWJZFKYRZZPFZ-KRWDZBQOSA-N 1 0 312.413 3.696 50 0 DHAARO Cc1cc(C[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)CC2)[nH]n1 ZINC000065383339 184332396 /nfs/dbraw/zinc/33/23/96/184332396.db2.gz GVEMHNYSNQLCIL-IBGZPJMESA-N 1 0 309.413 3.549 50 0 DHAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000065453335 184346671 /nfs/dbraw/zinc/34/66/71/184346671.db2.gz QFGSZDDXXRWHHK-AWEZNQCLSA-N 1 0 310.376 3.599 50 0 DHAARO COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000065467043 184350414 /nfs/dbraw/zinc/35/04/14/184350414.db2.gz AWKDUMKNYUHFOY-OAHLLOKOSA-N 1 0 324.424 3.673 50 0 DHAARO Cc1cccc(Cl)c1NC(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000065399121 184336597 /nfs/dbraw/zinc/33/65/97/184336597.db2.gz TXSNBLSTPGOHIC-UHFFFAOYSA-N 1 0 321.852 3.598 50 0 DHAARO O=C(/C=C/c1ccccc1)NCC1=CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000065526218 184359630 /nfs/dbraw/zinc/35/96/30/184359630.db2.gz WNJVPKHRZUPINU-AIGDTVQASA-N 1 0 322.452 3.557 50 0 DHAARO CC(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000065587551 184369535 /nfs/dbraw/zinc/36/95/35/184369535.db2.gz GNRSVNMQZLFVKU-LBPRGKRZSA-N 1 0 314.376 3.593 50 0 DHAARO Cc1ccc(-c2noc(CCC[N@@H+](C)CC(C)C)n2)cc1F ZINC000065961834 184384010 /nfs/dbraw/zinc/38/40/10/184384010.db2.gz UFPITEYZSOCPJO-UHFFFAOYSA-N 1 0 305.397 3.705 50 0 DHAARO Cc1cc2c(c(-c3ccc(-c4ccon4)s3)c1)O[C@H](C[NH3+])C2 ZINC000067561086 184472504 /nfs/dbraw/zinc/47/25/04/184472504.db2.gz KZIUWGSUJADXPL-LBPRGKRZSA-N 1 0 312.394 3.641 50 0 DHAARO CC(C)[N@@H+]1CCC[C@H](Cc2cccc(Br)n2)CC1 ZINC000072343840 256545397 /nfs/dbraw/zinc/54/53/97/256545397.db2.gz DIUMGBUTROKTHS-ZDUSSCGKSA-N 1 0 311.267 3.897 50 0 DHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000237584794 257238633 /nfs/dbraw/zinc/23/86/33/257238633.db2.gz QREYRLTUFLAPBH-NHFHULPWSA-N 1 0 314.473 3.689 50 0 DHAARO CC[C@H](C[NH+](C)C)NC(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000426651418 257244137 /nfs/dbraw/zinc/24/41/37/257244137.db2.gz VENCVMOVVAVBOX-GOSISDBHSA-N 1 0 314.404 3.563 50 0 DHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc4ccccc4o3)[C@H]2C1 ZINC000426597477 257245868 /nfs/dbraw/zinc/24/58/68/257245868.db2.gz ZBLWTVWRTMGUMZ-ZYSHUDEJSA-N 1 0 315.413 3.591 50 0 DHAARO O=C(c1cccc(-c2ccc3occc3c2)c1)N1CCC[NH2+]CC1 ZINC000426546178 257246823 /nfs/dbraw/zinc/24/68/23/257246823.db2.gz 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/nfs/dbraw/zinc/06/85/23/196068523.db2.gz FMMNRFWQZVMXDP-UHFFFAOYSA-N 1 0 320.506 3.508 50 0 DHAARO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089744413 262524958 /nfs/dbraw/zinc/52/49/58/262524958.db2.gz IUALHNZZYBGOIL-QWRGUYRKSA-N 1 0 315.244 3.512 50 0 DHAARO CN(C)CC[NH2+]CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000020548460 331588118 /nfs/dbraw/zinc/58/81/18/331588118.db2.gz SJTZTKSEPKJZMN-OALUTQOASA-N 1 0 318.505 3.517 50 0 DHAARO Clc1ccccc1-c1cc(C[NH2+][C@H]2CCCSC2)no1 ZINC000534676925 334323467 /nfs/dbraw/zinc/32/34/67/334323467.db2.gz QUSJNMJXWRFBJL-NSHDSACASA-N 1 0 308.834 3.980 50 0 DHAARO CC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000032533086 563834271 /nfs/dbraw/zinc/83/42/71/563834271.db2.gz HFSNSIKAKDAPHH-SLEUVZQESA-N 1 0 303.368 3.633 50 0 DHAARO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@](C)(CO)C1 ZINC000241707098 563880813 /nfs/dbraw/zinc/88/08/13/563880813.db2.gz QMOGJVSNJZOYSB-WFASDCNBSA-N 1 0 312.251 3.605 50 0 DHAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C ZINC000036100051 563893323 /nfs/dbraw/zinc/89/33/23/563893323.db2.gz BBTLYKHHDSRLMJ-FQEVSTJZSA-N 1 0 321.505 3.877 50 0 DHAARO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccc1)c1cccs1 ZINC000036476325 563900550 /nfs/dbraw/zinc/90/05/50/563900550.db2.gz QTXCCJLRZSRDRE-ZIAGYGMSSA-N 1 0 302.443 3.618 50 0 DHAARO C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)C1(C)CC1 ZINC000162669923 563941319 /nfs/dbraw/zinc/94/13/19/563941319.db2.gz WFDWSPLRHFTVMI-OAHLLOKOSA-N 1 0 303.446 3.660 50 0 DHAARO COc1ccc(Br)cc1C[NH2+]Cc1cccs1 ZINC000055545141 563475949 /nfs/dbraw/zinc/47/59/49/563475949.db2.gz IKPCHSHIWBQMTE-UHFFFAOYSA-N 1 0 312.232 3.809 50 0 DHAARO CCOc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000207660 563230546 /nfs/dbraw/zinc/23/05/46/563230546.db2.gz ZVFMPKKXRCMOCK-UHFFFAOYSA-N 1 0 316.489 3.926 50 0 DHAARO C[C@@H](Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000000214217 563231076 /nfs/dbraw/zinc/23/10/76/563231076.db2.gz RALQRWYQHVMNOT-HNNXBMFYSA-N 1 0 316.395 3.718 50 0 DHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000000238915 563232041 /nfs/dbraw/zinc/23/20/41/563232041.db2.gz XYQBXOHRHLJLIU-HXUWFJFHSA-N 1 0 324.468 3.920 50 0 DHAARO C[NH+]1CCN(c2cc(-c3cccs3)nc3ccccc32)CC1 ZINC000000407437 563251493 /nfs/dbraw/zinc/25/14/93/563251493.db2.gz OHIXLXNUKMHJJF-UHFFFAOYSA-N 1 0 309.438 3.715 50 0 DHAARO OC(/C=C/C[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001158769 563278618 /nfs/dbraw/zinc/27/86/18/563278618.db2.gz ZOVDFMBYOLTYRD-XNTDXEJSSA-N 1 0 307.437 3.965 50 0 DHAARO COc1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1OC ZINC000001701798 563291649 /nfs/dbraw/zinc/29/16/49/563291649.db2.gz LQKMRTRCPWWETR-CSKARUKUSA-N 1 0 306.385 3.852 50 0 DHAARO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CCCC(C)(C)O)cc1OC ZINC000002498986 563304465 /nfs/dbraw/zinc/30/44/65/563304465.db2.gz IVWGNEFIUYLTIU-GJZGRUSLSA-N 1 0 323.477 3.554 50 0 DHAARO CCCCOc1ccc(C[NH+]2CCC(C(=O)OCC)CC2)cc1 ZINC000002489740 563304688 /nfs/dbraw/zinc/30/46/88/563304688.db2.gz OSLRGFBTVYIASN-UHFFFAOYSA-N 1 0 319.445 3.641 50 0 DHAARO CC(C)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000002692861 563311413 /nfs/dbraw/zinc/31/14/13/563311413.db2.gz MXEAGZWZLNDZPO-QFBILLFUSA-N 1 0 313.441 3.901 50 0 DHAARO CC(C)NC(=O)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000071907793 563332719 /nfs/dbraw/zinc/33/27/19/563332719.db2.gz NPMLODHLOHIMQG-UHFFFAOYSA-N 1 0 324.468 3.619 50 0 DHAARO C[C@@H]1SCCN(Cc2nc(C3CC3)no2)[C@@H]1c1ccccc1 ZINC000071911159 563333128 /nfs/dbraw/zinc/33/31/28/563333128.db2.gz KNMAFRRAMVBWNN-LRDDRELGSA-N 1 0 315.442 3.626 50 0 DHAARO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C1CCCC1 ZINC000097491331 563350745 /nfs/dbraw/zinc/35/07/45/563350745.db2.gz STPFUIXKHMGDDT-CYBMUJFWSA-N 1 0 324.415 3.749 50 0 DHAARO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000097600568 563353110 /nfs/dbraw/zinc/35/31/10/563353110.db2.gz QVUXEUDCZAGHJD-SFHVURJKSA-N 1 0 316.832 3.681 50 0 DHAARO CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010325159 563356184 /nfs/dbraw/zinc/35/61/84/563356184.db2.gz NGPNZCVJCOUBDF-UHFFFAOYSA-N 1 0 324.424 3.933 50 0 DHAARO Cc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000011874165 563359793 /nfs/dbraw/zinc/35/97/93/563359793.db2.gz YVQKCCVHYYRBHC-NRFANRHFSA-N 1 0 309.453 3.812 50 0 DHAARO COc1cccc(CC[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000011937854 563361245 /nfs/dbraw/zinc/36/12/45/563361245.db2.gz KFTZFVZLAZFVNP-SFHVURJKSA-N 1 0 310.441 3.935 50 0 DHAARO CC(=O)c1ccc(N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000012385107 563368518 /nfs/dbraw/zinc/36/85/18/563368518.db2.gz GTTRUHLJEHMXKG-BEFAXECRSA-N 1 0 300.446 3.590 50 0 DHAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3[NH2+]CC2CC2)c1 ZINC000012432902 563369079 /nfs/dbraw/zinc/36/90/79/563369079.db2.gz BCVLFDRRPFMNSD-INIZCTEOSA-N 1 0 303.356 3.528 50 0 DHAARO COc1ccc(NCCC[NH+]2CCCCC2)c2c1CCCC2 ZINC000059719280 563373202 /nfs/dbraw/zinc/37/32/02/563373202.db2.gz QKVNJFRBBYZNJW-UHFFFAOYSA-N 1 0 302.462 3.862 50 0 DHAARO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1cccc2ccccc21 ZINC000032753293 563390619 /nfs/dbraw/zinc/39/06/19/563390619.db2.gz JPHNFGDUMGHUFQ-HOTGVXAUSA-N 1 0 310.441 3.891 50 0 DHAARO CC[NH+](CC)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000014238207 563398941 /nfs/dbraw/zinc/39/89/41/563398941.db2.gz QRMHYZLGOLMPIM-CQSZACIVSA-N 1 0 313.869 3.853 50 0 DHAARO Brc1c(OCC2CC[NH2+]CC2)ccc2ccccc21 ZINC000014631487 563402313 /nfs/dbraw/zinc/40/23/13/563402313.db2.gz MLTSICBWAIFESH-UHFFFAOYSA-N 1 0 320.230 3.981 50 0 DHAARO CCc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2F)cc1 ZINC000032870749 563404879 /nfs/dbraw/zinc/40/48/79/563404879.db2.gz FWUPEFVTOCKHQG-UHFFFAOYSA-N 1 0 314.404 3.849 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000015257907 563408441 /nfs/dbraw/zinc/40/84/41/563408441.db2.gz DTKCMYBIRBVHBW-VXGBXAGGSA-N 1 0 305.809 3.868 50 0 DHAARO CCC(=O)c1ccccc1OCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489336 563412230 /nfs/dbraw/zinc/41/22/30/563412230.db2.gz DUQKKLVIXMWGNZ-IYBDPMFKSA-N 1 0 319.445 3.548 50 0 DHAARO Cc1ccc(CN(CC[NH+]2CCCC2)Cc2ccc(C)o2)o1 ZINC000022579083 563419223 /nfs/dbraw/zinc/41/92/23/563419223.db2.gz AUSUMZBOHCXCNA-UHFFFAOYSA-N 1 0 302.418 3.587 50 0 DHAARO CN(Cc1ccccc1)C1(C[NH2+]CC2CC2)Cc2ccccc2C1 ZINC000022851402 563419293 /nfs/dbraw/zinc/41/92/93/563419293.db2.gz MOEIJJJRLOEGDN-UHFFFAOYSA-N 1 0 320.480 3.656 50 0 DHAARO CC(C)[C@@H](C)[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000026670116 563426802 /nfs/dbraw/zinc/42/68/02/563426802.db2.gz URVBNQAKOGENGQ-LLVKDONJSA-N 1 0 312.816 3.927 50 0 DHAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000027581862 563428844 /nfs/dbraw/zinc/42/88/44/563428844.db2.gz JQMBMAIUENZUJR-HXUWFJFHSA-N 1 0 322.452 3.952 50 0 DHAARO COc1ccccc1[C@H](CNc1nc2ccccc2o1)[NH+](C)C ZINC000029329109 563433773 /nfs/dbraw/zinc/43/37/73/563433773.db2.gz QXRUXBLOXCGFKX-HNNXBMFYSA-N 1 0 311.385 3.551 50 0 DHAARO Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c1C ZINC000029482376 563434607 /nfs/dbraw/zinc/43/46/07/563434607.db2.gz IKNWYLFINGALQV-IBGZPJMESA-N 1 0 308.425 3.861 50 0 DHAARO Cc1cccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000072286242 563435394 /nfs/dbraw/zinc/43/53/94/563435394.db2.gz HNPATLBIHINLLR-INIZCTEOSA-N 1 0 306.450 3.634 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825171 563435942 /nfs/dbraw/zinc/43/59/42/563435942.db2.gz JSVOPBFKMDIVSQ-AWEZNQCLSA-N 1 0 311.385 3.812 50 0 DHAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000030640512 563437247 /nfs/dbraw/zinc/43/72/47/563437247.db2.gz OFFDHANEDAOFAV-CQSZACIVSA-N 1 0 312.413 3.895 50 0 DHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cn(C)nc2C)cc1 ZINC000033087102 563444221 /nfs/dbraw/zinc/44/42/21/563444221.db2.gz RTJRKSPWBGKHDR-IBGZPJMESA-N 1 0 313.445 3.854 50 0 DHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000003684300 563449684 /nfs/dbraw/zinc/44/96/84/563449684.db2.gz MMGNIEASGWZUQL-IBGZPJMESA-N 1 0 316.489 3.890 50 0 DHAARO CC[C@H]1C[N@H+](Cc2cccs2)Cc2cc(OC)ccc2O1 ZINC000055042227 563470510 /nfs/dbraw/zinc/47/05/10/563470510.db2.gz SHOJFUCXVLKBFM-AWEZNQCLSA-N 1 0 303.427 3.930 50 0 DHAARO COc1ccccc1/C=C/C[N@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055060993 563471137 /nfs/dbraw/zinc/47/11/37/563471137.db2.gz FTCIOEHKIZUAQY-LKUPDRCFSA-N 1 0 310.441 3.975 50 0 DHAARO C/C(=C\c1ccco1)C[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055575828 563476073 /nfs/dbraw/zinc/47/60/73/563476073.db2.gz VFQCBPPREPLZCE-BAILOTOSSA-N 1 0 312.413 3.759 50 0 DHAARO CCc1ccc(C[N@@H+](CC)Cc2cnc(NC(C)C)nc2)cc1 ZINC000055568740 563476422 /nfs/dbraw/zinc/47/64/22/563476422.db2.gz PMVROSMQAHAAIP-UHFFFAOYSA-N 1 0 312.461 3.881 50 0 DHAARO Cc1cccc(-c2noc(CN3CCC[C@@H]3c3ccc[nH]3)n2)c1 ZINC000058341253 563478340 /nfs/dbraw/zinc/47/83/40/563478340.db2.gz CFMVLOPCRXCFIY-MRXNPFEDSA-N 1 0 308.385 3.710 50 0 DHAARO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000096414871 563480950 /nfs/dbraw/zinc/48/09/50/563480950.db2.gz CZIMJLLPOPAHIJ-KRWDZBQOSA-N 1 0 322.399 3.503 50 0 DHAARO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1ccncc1 ZINC000096478339 563484382 /nfs/dbraw/zinc/48/43/82/563484382.db2.gz UEZIAWQSUQRXAG-CXAGYDPISA-N 1 0 300.402 3.901 50 0 DHAARO Oc1cc(-c2cccnc2)cc2c1OCC[N@@H+](C1CCCC1)C2 ZINC000067675800 563488493 /nfs/dbraw/zinc/48/84/93/563488493.db2.gz IWMIATSKPVASTC-UHFFFAOYSA-N 1 0 310.397 3.591 50 0 DHAARO CCOCC[N@@H+]1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067675581 563488820 /nfs/dbraw/zinc/48/88/20/563488820.db2.gz QRAGVIGHIXRIMK-UHFFFAOYSA-N 1 0 321.424 3.625 50 0 DHAARO C[C@H](c1ccc(-c2ccc3n[nH]cc3c2)cc1)[NH+]1CCOCC1 ZINC000067674614 563488869 /nfs/dbraw/zinc/48/88/69/563488869.db2.gz PTLOXROIDCGUIC-CQSZACIVSA-N 1 0 307.397 3.623 50 0 DHAARO COc1ccccc1NC(=O)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000067784874 563490766 /nfs/dbraw/zinc/49/07/66/563490766.db2.gz QBLJBHNHQWIRQP-AWEZNQCLSA-N 1 0 304.434 3.582 50 0 DHAARO CC(=O)Oc1c(C)cc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1C ZINC000067771006 563490803 /nfs/dbraw/zinc/49/08/03/563490803.db2.gz KQINZVLBTPNRDK-HNNXBMFYSA-N 1 0 312.413 3.817 50 0 DHAARO C[C@H](c1ccc(-c2ccc3[nH]cnc3c2)cc1)[NH+]1CCOCC1 ZINC000067820782 563491543 /nfs/dbraw/zinc/49/15/43/563491543.db2.gz JBTBLZZDYGINQS-CQSZACIVSA-N 1 0 307.397 3.623 50 0 DHAARO CSc1ccc(-c2nccn2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000067842322 563492203 /nfs/dbraw/zinc/49/22/03/563492203.db2.gz BFLSXWIEMOYLTB-OAHLLOKOSA-N 1 0 301.459 3.756 50 0 DHAARO COc1cc(Oc2ccccc2C[NH+](C)C)cc(OC)c1OC ZINC000067894150 563493321 /nfs/dbraw/zinc/49/33/21/563493321.db2.gz OFWFWHDLYRDXPK-UHFFFAOYSA-N 1 0 317.385 3.566 50 0 DHAARO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)cccc2C(C)(C)C)C1 ZINC000067954805 563494310 /nfs/dbraw/zinc/49/43/10/563494310.db2.gz AVAZGDXGLAMFDJ-HNNXBMFYSA-N 1 0 317.477 3.756 50 0 DHAARO Cc1cccc(N2CCC([NH2+]CCC[C@H]3CCOC3)CC2)c1C ZINC000067935085 563494333 /nfs/dbraw/zinc/49/43/33/563494333.db2.gz ZVPUHDPWRIGIOF-SFHVURJKSA-N 1 0 316.489 3.679 50 0 DHAARO CC[C@H]1C[N@H+](Cc2ccc3cccc(Cl)c3n2)CC[C@@]1(C)O ZINC000067983312 563494841 /nfs/dbraw/zinc/49/48/41/563494841.db2.gz CMJIKAJCLCNESU-KBXCAEBGSA-N 1 0 318.848 3.871 50 0 DHAARO C[C@H](CC(C)(C)c1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC000071375571 563499022 /nfs/dbraw/zinc/49/90/22/563499022.db2.gz PJBMMEVGNHXLNB-MRXNPFEDSA-N 1 0 316.489 3.591 50 0 DHAARO FC(F)(F)c1cccnc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000097034998 563504325 /nfs/dbraw/zinc/50/43/25/563504325.db2.gz PSEFAMJHVCYWPT-UKRRQHHQSA-N 1 0 324.350 3.570 50 0 DHAARO CC(C)C[C@H](O)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000077525332 563511782 /nfs/dbraw/zinc/51/17/82/563511782.db2.gz UOIXASJWMBDLEN-IBGZPJMESA-N 1 0 300.446 3.787 50 0 DHAARO C[C@H](N[C@@H]1CCCn2ncnc21)c1cc2cc(Cl)ccc2o1 ZINC000097034638 563516071 /nfs/dbraw/zinc/51/60/71/563516071.db2.gz VWBQIEWXRWTJRA-GXFFZTMASA-N 1 0 316.792 3.863 50 0 DHAARO C[NH+](C)Cc1ccnc(NCc2cccc(-c3ccncc3)c2)c1 ZINC000097045293 563517676 /nfs/dbraw/zinc/51/76/76/563517676.db2.gz OUFDAKXEVNPBQP-UHFFFAOYSA-N 1 0 318.424 3.817 50 0 DHAARO Cc1cc(N2CCC[C@@H](c3nccn3C)C2)c2ccccc2[nH+]1 ZINC000082087694 563518647 /nfs/dbraw/zinc/51/86/47/563518647.db2.gz ZEEOEGLKUISJFY-OAHLLOKOSA-N 1 0 306.413 3.661 50 0 DHAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000095379832 563529762 /nfs/dbraw/zinc/52/97/62/563529762.db2.gz XEYJBNYSBVSDCM-BGYRXZFFSA-N 1 0 324.468 3.711 50 0 DHAARO C[C@H](c1cccc(-c2ccc(Cl)c(C(N)=O)c2)c1)[NH+](C)C ZINC000096139569 563533896 /nfs/dbraw/zinc/53/38/96/563533896.db2.gz HMDPDUHEZJGINK-LLVKDONJSA-N 1 0 302.805 3.729 50 0 DHAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1 ZINC000247767263 563538372 /nfs/dbraw/zinc/53/83/72/563538372.db2.gz LPIQBFXXSMMTNJ-KGLIPLIRSA-N 1 0 306.837 3.791 50 0 DHAARO CCn1cc(CN(C)Cc2ccc(C(F)(F)F)cc2F)cn1 ZINC000097394290 563539249 /nfs/dbraw/zinc/53/92/49/563539249.db2.gz DURHRQNBIGUDBD-UHFFFAOYSA-N 1 0 315.314 3.693 50 0 DHAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000097609957 563540149 /nfs/dbraw/zinc/54/01/49/563540149.db2.gz WYFBYLABXGWHLQ-GFCCVEGCSA-N 1 0 309.335 3.558 50 0 DHAARO C[N@H+](Cc1c[nH]nc1-c1cccc(F)c1)C1CCSCC1 ZINC000097636455 563540997 /nfs/dbraw/zinc/54/09/97/563540997.db2.gz KDNCUIHBNGRRSK-UHFFFAOYSA-N 1 0 305.422 3.543 50 0 DHAARO COCc1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)ncn1 ZINC000097730176 563541621 /nfs/dbraw/zinc/54/16/21/563541621.db2.gz JXHQCYWOCXVXRD-HNNXBMFYSA-N 1 0 311.429 3.837 50 0 DHAARO Cc1cc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)ccc1O ZINC000107022198 563566115 /nfs/dbraw/zinc/56/61/15/563566115.db2.gz DKIIYDPDJVCPAK-LJQANCHMSA-N 1 0 316.489 3.643 50 0 DHAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cnc2ccsc2c1 ZINC000247933230 563598369 /nfs/dbraw/zinc/59/83/69/563598369.db2.gz CFGSVLUNCTZOHA-GDJRKYJOSA-N 1 0 302.443 3.760 50 0 DHAARO c1nn(CC[N@@H+]2CCc3ccccc3C2)cc1-c1ccccc1 ZINC000075105626 563604460 /nfs/dbraw/zinc/60/44/60/563604460.db2.gz MBHPJBAIOSWAEM-UHFFFAOYSA-N 1 0 303.409 3.608 50 0 DHAARO O=C(COc1ccccc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000000528391 563629862 /nfs/dbraw/zinc/62/98/62/563629862.db2.gz NPEHZTLUXMYGJZ-UHFFFAOYSA-N 1 0 324.424 3.690 50 0 DHAARO COc1ccc(-c2ccccc2)cc1NC(=O)C1=CC[N@H+](C)CC1 ZINC000018192583 563652906 /nfs/dbraw/zinc/65/29/06/563652906.db2.gz PEJKOSNYXXKSHA-UHFFFAOYSA-N 1 0 322.408 3.563 50 0 DHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)on1 ZINC000044975716 563687760 /nfs/dbraw/zinc/68/77/60/563687760.db2.gz KZVVRDIALHBUBR-QGZVFWFLSA-N 1 0 308.385 3.506 50 0 DHAARO FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000048310017 563695741 /nfs/dbraw/zinc/69/57/41/563695741.db2.gz QIVCHQICYGERAD-CQSZACIVSA-N 1 0 309.335 3.647 50 0 DHAARO Cc1cc(C)c(C[NH2+]Cc2cccc(N3CCOC3=O)c2)c(C)c1 ZINC000048355033 563697374 /nfs/dbraw/zinc/69/73/74/563697374.db2.gz UDJQPZJOXGOQAO-UHFFFAOYSA-N 1 0 324.424 3.858 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccc(C)c(C)c2)c(OC)c1OC ZINC000048355079 563697657 /nfs/dbraw/zinc/69/76/57/563697657.db2.gz JONUJZSXOVTXJY-UHFFFAOYSA-N 1 0 315.413 3.619 50 0 DHAARO CC(C)[C@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccc(Cl)cc1 ZINC000048374918 563697909 /nfs/dbraw/zinc/69/79/09/563697909.db2.gz DJYSXOGOMLJHKB-KRWDZBQOSA-N 1 0 304.821 3.526 50 0 DHAARO Cc1noc(C)c1C[NH+]1CCC(c2nc3ccccc3n2C)CC1 ZINC000215233884 563704178 /nfs/dbraw/zinc/70/41/78/563704178.db2.gz OHHRCFRITBUIGQ-UHFFFAOYSA-N 1 0 324.428 3.558 50 0 DHAARO CN(Cc1cc(C2CC2)n[nH]1)Cc1ccc2cc(F)ccc2n1 ZINC000215272278 563704496 /nfs/dbraw/zinc/70/44/96/563704496.db2.gz LRNUXAWYABJTSG-UHFFFAOYSA-N 1 0 310.376 3.606 50 0 DHAARO CCc1ncc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cn1 ZINC000215138704 563704511 /nfs/dbraw/zinc/70/45/11/563704511.db2.gz PYWZYJSJPNUSRB-UHFFFAOYSA-N 1 0 305.425 3.600 50 0 DHAARO COc1cccc([C@H]2CCN2Cc2c(C)nc3ccccn32)c1 ZINC000215439333 563705423 /nfs/dbraw/zinc/70/54/23/563705423.db2.gz ZDSIWYWUEXNWBI-QGZVFWFLSA-N 1 0 307.397 3.598 50 0 DHAARO CC(=O)c1cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n(C)c1 ZINC000215757017 563706914 /nfs/dbraw/zinc/70/69/14/563706914.db2.gz XYWXLVJJMUWZOW-SFHVURJKSA-N 1 0 310.441 3.997 50 0 DHAARO CCn1ccc2ccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)cc21 ZINC000216120334 563708140 /nfs/dbraw/zinc/70/81/40/563708140.db2.gz TVXKKZKNDMCHIV-GOSISDBHSA-N 1 0 320.440 3.831 50 0 DHAARO CC(C)Cc1csc2nc(SCCC[NH+](C)C)nc(N)c12 ZINC000012324612 563713748 /nfs/dbraw/zinc/71/37/48/563713748.db2.gz WJVYAYUZLUQEJX-UHFFFAOYSA-N 1 0 324.519 3.516 50 0 DHAARO C[NH+](C)[C@@H](CNc1ncnc2cc(Cl)ccc21)c1ccco1 ZINC000008073587 563718896 /nfs/dbraw/zinc/71/88/96/563718896.db2.gz TZJNDWCMAVLIIK-AWEZNQCLSA-N 1 0 316.792 3.591 50 0 DHAARO COc1cccc(CNc2[nH+]cc(-c3ccccc3)n2C)c1OC ZINC000000819068 563720467 /nfs/dbraw/zinc/72/04/67/563720467.db2.gz PEAUAVFUIMWJSU-UHFFFAOYSA-N 1 0 323.396 3.716 50 0 DHAARO COc1ccc(-c2c[nH+]c(NCc3ccc(F)cc3)n2C)cc1 ZINC000000819114 563721038 /nfs/dbraw/zinc/72/10/38/563721038.db2.gz IHZLLEAWRAXWOZ-UHFFFAOYSA-N 1 0 311.360 3.847 50 0 DHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cl)o1 ZINC000032762433 563723301 /nfs/dbraw/zinc/72/33/01/563723301.db2.gz KIDSGMRAIWVWMS-LLVKDONJSA-N 1 0 324.833 3.561 50 0 DHAARO COc1ccccc1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000025356248 563726623 /nfs/dbraw/zinc/72/66/23/563726623.db2.gz DWVQHVLTVGYLAX-OAHLLOKOSA-N 1 0 307.397 3.732 50 0 DHAARO O=C(c1cc(Cl)ccc1F)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000223697630 563735097 /nfs/dbraw/zinc/73/50/97/563735097.db2.gz QVYJYBJLIMYSNU-CQSZACIVSA-N 1 0 324.827 3.570 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000030662031 563763458 /nfs/dbraw/zinc/76/34/58/563763458.db2.gz INLZZKNSPOOZFG-CABCVRRESA-N 1 0 314.351 3.856 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000030662416 563763463 /nfs/dbraw/zinc/76/34/63/563763463.db2.gz GXOHKEGWHCXQQY-UHFFFAOYSA-N 1 0 314.351 3.856 50 0 DHAARO Cc1ccccc1OCCC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000225845754 563764599 /nfs/dbraw/zinc/76/45/99/563764599.db2.gz LLTVWUSPFKSKQS-FPOVZHCZSA-N 1 0 324.468 3.799 50 0 DHAARO Cc1cc2c(nc1C)sc1c2ncnc1SCC[NH+](C)C ZINC000012389810 563767810 /nfs/dbraw/zinc/76/78/10/563767810.db2.gz SWSMSCXLQUMUME-UHFFFAOYSA-N 1 0 318.471 3.510 50 0 DHAARO CCOC(=O)[C@@H]1C[NH2+][C@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000245240968 563780449 /nfs/dbraw/zinc/78/04/49/563780449.db2.gz VRGSYPCBWQRFQZ-OTWHNJEPSA-N 1 0 309.409 3.684 50 0 DHAARO CC(=O)c1ccc(N2CC[NH+](CC3CCCCC3)CC2)c(F)c1 ZINC000052686894 563792616 /nfs/dbraw/zinc/79/26/16/563792616.db2.gz BQILUZIZBSXTCR-UHFFFAOYSA-N 1 0 318.436 3.731 50 0 DHAARO Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](C[NH3+])C2 ZINC000299789269 563806538 /nfs/dbraw/zinc/80/65/38/563806538.db2.gz YOQNXHJCSCNHSC-QGZVFWFLSA-N 1 0 304.393 3.781 50 0 DHAARO C[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1cccc2ccccc21 ZINC000053017235 563814538 /nfs/dbraw/zinc/81/45/38/563814538.db2.gz ZVIFKKJIAKPJNC-UHFFFAOYSA-N 1 0 320.392 3.616 50 0 DHAARO O[C@@H](C[NH+]1CCCCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000084392951 563826347 /nfs/dbraw/zinc/82/63/47/563826347.db2.gz BURYQIHVYDZXOG-HNNXBMFYSA-N 1 0 317.351 3.885 50 0 DHAARO CC(C)[N@@H+]1CC[C@H](NC(=S)Nc2ccc3ccccc3c2)C1 ZINC000084597460 563828072 /nfs/dbraw/zinc/82/80/72/563828072.db2.gz UHFFVGYBJNOWAH-KRWDZBQOSA-N 1 0 313.470 3.609 50 0 DHAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000084714648 563829700 /nfs/dbraw/zinc/82/97/00/563829700.db2.gz QJGMSJQMTNSQOO-AVYPCKFXSA-N 1 0 310.441 3.747 50 0 DHAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000012776897 563830045 /nfs/dbraw/zinc/83/00/45/563830045.db2.gz CICJVJJVVVOJLE-ZBEGNZNMSA-N 1 0 316.351 3.569 50 0 DHAARO O[C@@H](C[NH2+]C1CCCC1)COc1ccccc1-c1ccccc1 ZINC000012420063 563837197 /nfs/dbraw/zinc/83/71/97/563837197.db2.gz XLTQBLVLAQSYTA-SFHVURJKSA-N 1 0 311.425 3.626 50 0 DHAARO Cc1cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)ccc1Cl ZINC000001469929 563838103 /nfs/dbraw/zinc/83/81/03/563838103.db2.gz COZCCBGXWRWDCY-GOEBONIOSA-N 1 0 319.832 3.739 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000012902146 563853138 /nfs/dbraw/zinc/85/31/38/563853138.db2.gz MKOYFHPBNVLVKW-HXUWFJFHSA-N 1 0 322.452 3.598 50 0 DHAARO COc1ccc2c(C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)cc(=O)oc2c1 ZINC000035288683 563855147 /nfs/dbraw/zinc/85/51/47/563855147.db2.gz CTFXTOYBBHKMCQ-PBFPGSCMSA-N 1 0 315.413 3.716 50 0 DHAARO Cc1noc(C)c1C[N@@H+](C)C1CCN(c2ccc(F)cc2)CC1 ZINC000078950163 563859200 /nfs/dbraw/zinc/85/92/00/563859200.db2.gz YPAZFXLSGFAQNT-UHFFFAOYSA-N 1 0 317.408 3.531 50 0 DHAARO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)CCS2 ZINC000248849188 563871151 /nfs/dbraw/zinc/87/11/51/563871151.db2.gz PQWJKURQAPWBOT-OQMKEHIESA-N 1 0 307.459 3.778 50 0 DHAARO Cc1c(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)cnn1C ZINC000090888009 563876741 /nfs/dbraw/zinc/87/67/41/563876741.db2.gz IZDKVGJXVIXAQT-CQSZACIVSA-N 1 0 306.413 3.641 50 0 DHAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc2cccnc21 ZINC000242302386 563880994 /nfs/dbraw/zinc/88/09/94/563880994.db2.gz YSEDTRIIHSNJFJ-JQHSSLGASA-N 1 0 324.424 3.541 50 0 DHAARO COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccccc2)cc1 ZINC000036095159 563892976 /nfs/dbraw/zinc/89/29/76/563892976.db2.gz KBJJLRPIZAXGPX-HXUWFJFHSA-N 1 0 313.441 3.887 50 0 DHAARO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)c2ccccc2)c1 ZINC000036100069 563893327 /nfs/dbraw/zinc/89/33/27/563893327.db2.gz MSPSQIASWHUSMI-FQEVSTJZSA-N 1 0 313.441 3.887 50 0 DHAARO CCC[N@@H+](Cc1cccs1)C[C@H](O)COc1ccccc1C ZINC000036096631 563893453 /nfs/dbraw/zinc/89/34/53/563893453.db2.gz UMDUNEVNZUQZRC-INIZCTEOSA-N 1 0 319.470 3.708 50 0 DHAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)C)c1 ZINC000036100706 563893613 /nfs/dbraw/zinc/89/36/13/563893613.db2.gz UPORZKWRXJVDLY-LJQANCHMSA-N 1 0 307.478 3.629 50 0 DHAARO Cc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)cc1 ZINC000036101784 563893666 /nfs/dbraw/zinc/89/36/66/563893666.db2.gz ZHLRGPHOCYVPSB-IBGZPJMESA-N 1 0 313.441 3.645 50 0 DHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000249276167 563901565 /nfs/dbraw/zinc/90/15/65/563901565.db2.gz MBRAPPMKHXNEQR-RQJABVFESA-N 1 0 323.424 3.752 50 0 DHAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000007378078 563905344 /nfs/dbraw/zinc/90/53/44/563905344.db2.gz JXGUJQUKWXPMIE-LBPRGKRZSA-N 1 0 310.825 3.552 50 0 DHAARO CC(C)c1nn(C)cc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000037316100 563908652 /nfs/dbraw/zinc/90/86/52/563908652.db2.gz UQPLDNDHANTEIZ-HNNXBMFYSA-N 1 0 301.459 3.870 50 0 DHAARO c1nc(-c2cccc(C[NH2+][C@@H]3CCSc4ccccc43)c2)n[nH]1 ZINC000089730873 563911025 /nfs/dbraw/zinc/91/10/25/563911025.db2.gz BXAZTNFUQIWDLW-MRXNPFEDSA-N 1 0 322.437 3.798 50 0 DHAARO C[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1-n1cccn1 ZINC000089909872 563912049 /nfs/dbraw/zinc/91/20/49/563912049.db2.gz SVBCNGZEUQIXAE-OAHLLOKOSA-N 1 0 309.388 3.905 50 0 DHAARO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1C ZINC000076057651 563912154 /nfs/dbraw/zinc/91/21/54/563912154.db2.gz XBYCEBRGVQNPMY-PKOBYXMFSA-N 1 0 316.489 3.594 50 0 DHAARO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N2CCC[C@H](C)C2)o1 ZINC000170634718 563912830 /nfs/dbraw/zinc/91/28/30/563912830.db2.gz KWNWWYGXJLABCM-RDJZCZTQSA-N 1 0 318.461 3.764 50 0 DHAARO O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1cccc(F)c1 ZINC000007788631 563919297 /nfs/dbraw/zinc/91/92/97/563919297.db2.gz MLTOMYQREOVLKW-UHFFFAOYSA-N 1 0 316.351 3.568 50 0 DHAARO COc1c(C)cnc(CN(C)Cc2cnc3ccccc3c2)c1C ZINC000350461950 563919902 /nfs/dbraw/zinc/91/99/02/563919902.db2.gz OUOVKFXTPJKHKB-UHFFFAOYSA-N 1 0 321.424 3.887 50 0 DHAARO C[NH2+]CCNC(=O)c1ccc(-c2cccc(C(C)(C)C)c2)cc1 ZINC000584889537 563925601 /nfs/dbraw/zinc/92/56/01/563925601.db2.gz PBVDZZMXOYRDCE-UHFFFAOYSA-N 1 0 310.441 3.600 50 0 DHAARO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc2ccccc21 ZINC000078806472 563929880 /nfs/dbraw/zinc/92/98/80/563929880.db2.gz MQPODDVJPRRSQA-INIZCTEOSA-N 1 0 318.420 3.920 50 0 DHAARO Cc1cccc([C@H](C)[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000078947608 563930146 /nfs/dbraw/zinc/93/01/46/563930146.db2.gz STDGRQPOPOREBK-INIZCTEOSA-N 1 0 303.446 3.716 50 0 DHAARO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000095420146 563931279 /nfs/dbraw/zinc/93/12/79/563931279.db2.gz DZMVJUKUSZYZFK-OAHLLOKOSA-N 1 0 311.454 3.714 50 0 DHAARO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000095459061 563931638 /nfs/dbraw/zinc/93/16/38/563931638.db2.gz ULAXSTQSVWGPCE-AUUYWEPGSA-N 1 0 315.413 3.570 50 0 DHAARO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cnc2ccsc2c1 ZINC000095968307 563933101 /nfs/dbraw/zinc/93/31/01/563933101.db2.gz LUBMEQVMYMOYGR-ZBEGNZNMSA-N 1 0 318.467 3.916 50 0 DHAARO CCN(CC)CC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000095976390 563933697 /nfs/dbraw/zinc/93/36/97/563933697.db2.gz QCRBTYKRRSWVGY-SNVBAGLBSA-N 1 0 304.265 3.568 50 0 DHAARO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000095996213 563934373 /nfs/dbraw/zinc/93/43/73/563934373.db2.gz KAOMJMHNIJXKMG-CHWSQXEVSA-N 1 0 322.250 3.775 50 0 DHAARO c1ccc(N[C@H]2CCCN(c3cc(OCC4CC4)cc[nH+]3)C2)cc1 ZINC000096006396 563934616 /nfs/dbraw/zinc/93/46/16/563934616.db2.gz KIISDFLMTOUXHE-SFHVURJKSA-N 1 0 323.440 3.951 50 0 DHAARO Cc1cnc([C@@H](C)N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000096003609 563934660 /nfs/dbraw/zinc/93/46/60/563934660.db2.gz QHFJXWAANOXMLX-NVXWUHKLSA-N 1 0 313.445 3.687 50 0 DHAARO Cc1noc(C)c1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000096444978 563937002 /nfs/dbraw/zinc/93/70/02/563937002.db2.gz IVIHLOGSWCWYSF-LJQANCHMSA-N 1 0 314.429 3.553 50 0 DHAARO Cc1nc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000096456795 563937133 /nfs/dbraw/zinc/93/71/33/563937133.db2.gz PMLMDPDPFAPKBN-RHSMWYFYSA-N 1 0 315.486 3.594 50 0 DHAARO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Cl)cc(Cl)c1 ZINC000096476490 563937268 /nfs/dbraw/zinc/93/72/68/563937268.db2.gz OXGGJSPHPRKOHD-JTQLQIEISA-N 1 0 323.223 3.943 50 0 DHAARO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cc1 ZINC000096481238 563937432 /nfs/dbraw/zinc/93/74/32/563937432.db2.gz QPFFACLBUYKOMA-OAHLLOKOSA-N 1 0 324.424 3.656 50 0 DHAARO CCc1ccsc1C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000096479223 563937456 /nfs/dbraw/zinc/93/74/56/563937456.db2.gz XXFCVBOWKNWSQX-YUNKPMOVSA-N 1 0 307.484 3.899 50 0 DHAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]CCc1ccccn1 ZINC000097159776 563937810 /nfs/dbraw/zinc/93/78/10/563937810.db2.gz IPAGRQDDPXSKSB-UHFFFAOYSA-N 1 0 318.380 3.550 50 0 DHAARO Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c(C)c1 ZINC000002476187 563938028 /nfs/dbraw/zinc/93/80/28/563938028.db2.gz SEPJUGHASWFWPQ-MRXNPFEDSA-N 1 0 307.478 3.848 50 0 DHAARO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000055553780 563938390 /nfs/dbraw/zinc/93/83/90/563938390.db2.gz DSCGRXUPMRYUMU-MRXNPFEDSA-N 1 0 316.445 3.702 50 0 DHAARO C[NH2+][C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004061451 563945010 /nfs/dbraw/zinc/94/50/10/563945010.db2.gz LXUIGQVHABEBDW-LXTDMAHYSA-N 1 0 305.506 3.978 50 0 biogenic DHAARO C[NH2+][C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004061453 563945015 /nfs/dbraw/zinc/94/50/15/563945015.db2.gz LXUIGQVHABEBDW-HTZJVTINSA-N 1 0 305.506 3.978 50 0 biogenic DHAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000008315109 563947923 /nfs/dbraw/zinc/94/79/23/563947923.db2.gz SVZBRBQBMJLVMX-CAOSSQGBSA-N 1 0 318.461 3.827 50 0 DHAARO CC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008717276 563950221 /nfs/dbraw/zinc/95/02/21/563950221.db2.gz JYBZIMSMLYVLOK-GFCCVEGCSA-N 1 0 312.413 3.826 50 0 DHAARO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)Sc2ccccc21 ZINC000039331404 563951139 /nfs/dbraw/zinc/95/11/39/563951139.db2.gz LBVQPWZEEPWLNO-UHFFFAOYSA-N 1 0 324.449 3.514 50 0 DHAARO c1csc([C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C2CCCC2)c1 ZINC000069453550 563953073 /nfs/dbraw/zinc/95/30/73/563953073.db2.gz QFUSBZWHHUKGIT-DYVFJYSZSA-N 1 0 316.474 3.507 50 0 DHAARO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000069701715 563954204 /nfs/dbraw/zinc/95/42/04/563954204.db2.gz AVVAUGMMDLNEKV-RDJZCZTQSA-N 1 0 324.424 3.512 50 0 DHAARO CCCC[C@H](CC)CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000069704333 563954313 /nfs/dbraw/zinc/95/43/13/563954313.db2.gz RSFNVIBYGARWDG-HNNXBMFYSA-N 1 0 305.466 3.568 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000009503634 563956375 /nfs/dbraw/zinc/95/63/75/563956375.db2.gz ZQDXQMUNGFCTPD-MRXNPFEDSA-N 1 0 320.795 3.512 50 0 DHAARO CCC[NH+](CCC)C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000010383808 563958858 /nfs/dbraw/zinc/95/88/58/563958858.db2.gz XNOVPCDBVNCATK-WFRNDULYSA-N 1 0 323.521 3.702 50 0 DHAARO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1OC ZINC000071837147 563959034 /nfs/dbraw/zinc/95/90/34/563959034.db2.gz OYPLUFLQFPQECS-MRXNPFEDSA-N 1 0 301.361 3.620 50 0 DHAARO C[C@H](c1cccc(O)c1)[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000077285102 563960613 /nfs/dbraw/zinc/96/06/13/563960613.db2.gz XRUDUXCJBONNPF-CQSZACIVSA-N 1 0 323.396 3.678 50 0 DHAARO Cc1cc(NC(=O)CC[N@@H+](C)[C@H](C)c2cccc(Cl)c2)no1 ZINC000051425891 568415841 /nfs/dbraw/zinc/41/58/41/568415841.db2.gz DQFQTHGKCJDFBR-GFCCVEGCSA-N 1 0 321.808 3.658 50 0 DHAARO CC(C)C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)n1cccc1 ZINC000575443177 568418112 /nfs/dbraw/zinc/41/81/12/568418112.db2.gz MXKHQRHVIJGLAC-INIZCTEOSA-N 1 0 319.493 3.501 50 0 DHAARO Cc1ccsc1C[NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000089623607 568420269 /nfs/dbraw/zinc/42/02/69/568420269.db2.gz NLGFYQFYNMKFQN-MRXNPFEDSA-N 1 0 317.454 3.822 50 0 DHAARO OCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000000279037 568421501 /nfs/dbraw/zinc/42/15/01/568421501.db2.gz PSJZBSDPJBELDE-UHFFFAOYSA-N 1 0 310.224 3.988 50 0 DHAARO CC[C@@H]1C[N@H+](Cc2cccs2)Cc2cc(OC)ccc2O1 ZINC000055042226 1014202027 /nfs/dbraw/zinc/20/20/27/1014202027.db2.gz SHOJFUCXVLKBFM-CQSZACIVSA-N 1 0 303.427 3.930 50 0 DHAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccncc2)CC1 ZINC000054992041 1014202783 /nfs/dbraw/zinc/20/27/83/1014202783.db2.gz JVFDCNJUXOODEA-UHFFFAOYSA-N 1 0 309.457 3.568 50 0 DHAARO CC[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000289989872 1014773042 /nfs/dbraw/zinc/77/30/42/1014773042.db2.gz YGPPZABAYZKIAL-GOSISDBHSA-N 1 0 313.445 3.652 50 0 DHAARO CCCOc1c(Cl)cccc1NC(=O)C[C@H]1CCCC[N@@H+]1C ZINC000952863704 1032664550 /nfs/dbraw/zinc/66/45/50/1032664550.db2.gz VXEHXBUGWBDRRO-CYBMUJFWSA-N 1 0 324.852 3.942 50 0 DHAARO Cc1ccc(NCCC[NH2+]Cc2ccc(C)c3ncccc23)nc1 ZINC000952965577 1032670536 /nfs/dbraw/zinc/67/05/36/1032670536.db2.gz AIRIVBQLIWJWOH-UHFFFAOYSA-N 1 0 320.440 3.838 50 0 DHAARO COc1cc([C@@H](C)[NH2+]C2CC(c3cc(F)cc(F)c3)C2)ccn1 ZINC000952963579 1032671151 /nfs/dbraw/zinc/67/11/51/1032671151.db2.gz ZAUWRXIAUBTOHG-ACCOQDJYSA-N 1 0 318.367 3.965 50 0 DHAARO CC[C@@H]1C=CC[N@@H+]1Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1 ZINC000952982966 1032682115 /nfs/dbraw/zinc/68/21/15/1032682115.db2.gz QRXFMYRMVWRKHK-OAHLLOKOSA-N 1 0 309.365 3.767 50 0 DHAARO c1sc(-c2ccccc2)nc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341989671 1017443870 /nfs/dbraw/zinc/44/38/70/1017443870.db2.gz MJSWQPKYCXLOAE-SFHVURJKSA-N 1 0 314.454 3.813 50 0 DHAARO CC[NH+](CC)CCOc1ccc(Br)cc1Cl ZINC000230549079 1018734428 /nfs/dbraw/zinc/73/44/28/1018734428.db2.gz MHKFQPRMVOXXPI-UHFFFAOYSA-N 1 0 306.631 3.823 50 0 DHAARO CC[NH+](CC)CCc1ccc(NC(=O)CCc2ccoc2)cc1 ZINC000252497166 1019304841 /nfs/dbraw/zinc/30/48/41/1019304841.db2.gz QAERBNSDYXOBCQ-UHFFFAOYSA-N 1 0 314.429 3.735 50 0 DHAARO OC[C@]1(CCc2ccccc2)CCC[N@@H+](C2CCSCC2)C1 ZINC000011874365 1019450457 /nfs/dbraw/zinc/45/04/57/1019450457.db2.gz YDWCHTKKVJOSDX-IBGZPJMESA-N 1 0 319.514 3.589 50 0 DHAARO O=C(CCC(F)(F)F)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012112356 1019884296 /nfs/dbraw/zinc/88/42/96/1019884296.db2.gz DDIADLZHNQSJKT-CYBMUJFWSA-N 1 0 320.399 3.632 50 0 DHAARO OCCN(Cc1ccccc1)Cc1c(Cl)cccc1Cl ZINC000000761401 1020068122 /nfs/dbraw/zinc/06/81/22/1020068122.db2.gz OLUCOSICIOJGTN-UHFFFAOYSA-N 1 0 310.224 3.988 50 0 DHAARO CC[C@@H](Cc1ccco1)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000822620683 1020344898 /nfs/dbraw/zinc/34/48/98/1020344898.db2.gz WHVKBNKMXBMIDV-LBPRGKRZSA-N 1 0 303.793 3.920 50 0 DHAARO CCCc1nc(C)c(C[NH2+][C@@H]2CCN(c3ccccc3)C2)s1 ZINC000823015151 1020383072 /nfs/dbraw/zinc/38/30/72/1020383072.db2.gz CHUKPHRTLQLLNE-OAHLLOKOSA-N 1 0 315.486 3.773 50 0 DHAARO CCN(CC)c1ncccc1C[NH2+]Cc1cn(C)c2ccccc12 ZINC000012449418 1020598091 /nfs/dbraw/zinc/59/80/91/1020598091.db2.gz DZWPFRAOJARDJW-UHFFFAOYSA-N 1 0 322.456 3.709 50 0 DHAARO O=C(N1CC[C@@H]1c1ccc(F)cc1)C1([NH+]2CCCC2)CCCC1 ZINC000826584994 1020714925 /nfs/dbraw/zinc/71/49/25/1020714925.db2.gz LKEBZVFCYNMLIX-QGZVFWFLSA-N 1 0 316.420 3.508 50 0 DHAARO O=C(CCC(F)(F)F)NCC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000827814650 1020797802 /nfs/dbraw/zinc/79/78/02/1020797802.db2.gz QWBLUFVYLQHTPZ-CQSZACIVSA-N 1 0 320.399 3.632 50 0 DHAARO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000177932874 1020858551 /nfs/dbraw/zinc/85/85/51/1020858551.db2.gz IUJNSWOCSZUFJX-SFHVURJKSA-N 1 0 310.441 3.565 50 0 DHAARO O=C(Nc1cccc2cnccc21)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023619086 1021091918 /nfs/dbraw/zinc/09/19/18/1021091918.db2.gz KKVZAOJKGRDEIW-OAHLLOKOSA-N 1 0 323.421 3.973 50 0 DHAARO Cc1ccc(OCCCCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000023634797 1021125257 /nfs/dbraw/zinc/12/52/57/1021125257.db2.gz BGUBKFCFFRJKCT-UHFFFAOYSA-N 1 0 311.853 3.920 50 0 DHAARO Cc1cnc(C[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)n1CC1CC1 ZINC000581806051 1021847179 /nfs/dbraw/zinc/84/71/79/1021847179.db2.gz RIUYOTGTXUOMRM-FQEVSTJZSA-N 1 0 323.484 3.975 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581806762 1021849672 /nfs/dbraw/zinc/84/96/72/1021849672.db2.gz XMEDZAVRXUXXHQ-KRWDZBQOSA-N 1 0 315.461 3.813 50 0 DHAARO CC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)CC1CC1 ZINC000183945015 1022570020 /nfs/dbraw/zinc/57/00/20/1022570020.db2.gz BTWIRWYMLKJFJJ-UHFFFAOYSA-N 1 0 317.458 3.909 50 0 DHAARO [NH3+]C[C@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1 ZINC000299797658 1023304664 /nfs/dbraw/zinc/30/46/64/1023304664.db2.gz NQDCTTIQSLUWFF-CQSZACIVSA-N 1 0 309.287 3.514 50 0 DHAARO CC[C@H](C)NC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000107137900 1023408846 /nfs/dbraw/zinc/40/88/46/1023408846.db2.gz PRMXUEOOCRAFFI-LZLYRXPVSA-N 1 0 319.493 3.850 50 0 DHAARO Cc1noc(C)c1CC[NH2+]CC1=Cc2cc(Cl)ccc2OC1 ZINC000107321474 1023427528 /nfs/dbraw/zinc/42/75/28/1023427528.db2.gz ZXTFQLSYVHWPSK-UHFFFAOYSA-N 1 0 318.804 3.553 50 0 DHAARO Cn1c(C[N@H+](C)CCC[C@@H]2CCCO2)cc2cc(F)ccc21 ZINC000216072257 1024527077 /nfs/dbraw/zinc/52/70/77/1024527077.db2.gz ORGFNWLHXNASCA-QGZVFWFLSA-N 1 0 304.409 3.708 50 0 DHAARO CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000215988804 1024527295 /nfs/dbraw/zinc/52/72/95/1024527295.db2.gz KUPXBTFAPOLVDV-MRXNPFEDSA-N 1 0 300.377 3.609 50 0 DHAARO Cc1[nH]c2c(cccc2C[NH+]2CCC(c3nccn3C)CC2)c1C ZINC000216062843 1024527387 /nfs/dbraw/zinc/52/73/87/1024527387.db2.gz OKDJSYJIYSZTIL-UHFFFAOYSA-N 1 0 322.456 3.898 50 0 DHAARO CN(C)c1cc[n+](CCCOc2cccc3ccccc32)cc1 ZINC000079912676 1026836301 /nfs/dbraw/zinc/83/63/01/1026836301.db2.gz CQUMGVASOMSVEM-UHFFFAOYSA-N 1 0 307.417 3.662 50 0 DHAARO C[C@@H]([NH2+]C[C@H]1CCSC1)c1nc2ccccc2n1C(F)F ZINC000585079621 1029620533 /nfs/dbraw/zinc/62/05/33/1029620533.db2.gz NNBAZWWVTZYVBS-GHMZBOCLSA-N 1 0 311.401 3.835 50 0 DHAARO CCCN(CC[NH+]1CCCC1)C(=O)c1scc(C)c1Cl ZINC000585082327 1029626794 /nfs/dbraw/zinc/62/67/94/1029626794.db2.gz DTOUEYYXFZKEQD-UHFFFAOYSA-N 1 0 314.882 3.658 50 0 DHAARO CC(=O)N1CCC([NH2+]CC2CCC3(CCCCC3)CC2)CC1 ZINC000585118417 1029782580 /nfs/dbraw/zinc/78/25/80/1029782580.db2.gz NTXNPUPCVNQGMP-UHFFFAOYSA-N 1 0 306.494 3.728 50 0 DHAARO Cc1ccc2c(c1)c1c(n2CCc2cccnc2)CCC[N@@H+](C)C1 ZINC000075566930 1030982131 /nfs/dbraw/zinc/98/21/31/1030982131.db2.gz MKVDGZZAIRBYQM-UHFFFAOYSA-N 1 0 319.452 3.965 50 0 DHAARO Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CCC[N@@H+](C)C1 ZINC000075566891 1030982257 /nfs/dbraw/zinc/98/22/57/1030982257.db2.gz XMVAYQHCPUJUSX-UHFFFAOYSA-N 1 0 319.452 3.965 50 0 DHAARO C[C@H](O)C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000179380962 1035135529 /nfs/dbraw/zinc/13/55/29/1035135529.db2.gz AUUQGDNYBWHKMJ-HNNXBMFYSA-N 1 0 313.445 3.592 50 0 DHAARO CCc1cc(C)c(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)o1 ZINC000151117115 1037728495 /nfs/dbraw/zinc/72/84/95/1037728495.db2.gz GFBLVIOBODXNRG-MRXNPFEDSA-N 1 0 324.424 3.775 50 0 DHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000084736228 1038426316 /nfs/dbraw/zinc/42/63/16/1038426316.db2.gz KHGINXKUQOGREB-HAURFUKOSA-N 1 0 314.473 3.573 50 0 DHAARO Cc1ccccc1[C@H](C)[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000089689147 1041066722 /nfs/dbraw/zinc/06/67/22/1041066722.db2.gz RPKKUWSVJDDMPB-INIZCTEOSA-N 1 0 310.441 3.590 50 0 DHAARO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccccc1C(F)(F)F ZINC000079068527 185153171 /nfs/dbraw/zinc/15/31/71/185153171.db2.gz RAPIXOXRYLHKGW-UHFFFAOYSA-N 1 0 317.351 3.917 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000096943748 185393590 /nfs/dbraw/zinc/39/35/90/185393590.db2.gz FBEBHNUTRSVWEG-CNNWTFKKSA-N 1 0 322.452 3.899 50 0 DHAARO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000090726014 185311486 /nfs/dbraw/zinc/31/14/86/185311486.db2.gz OEXZSQPHTPQBBX-IUCAKERBSA-N 1 0 306.244 3.990 50 0 DHAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000095404424 185355458 /nfs/dbraw/zinc/35/54/58/185355458.db2.gz KBXOZDKGSSXJRM-KBPBESRZSA-N 1 0 304.434 3.581 50 0 DHAARO Cc1n[nH]cc1CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095420039 185360096 /nfs/dbraw/zinc/36/00/96/185360096.db2.gz BLFFUGCBSITANI-QGZVFWFLSA-N 1 0 311.429 3.687 50 0 DHAARO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cncn3)c2)cc1 ZINC000095423552 185361279 /nfs/dbraw/zinc/36/12/79/185361279.db2.gz SVUWTKHIJQWCLK-GJZGRUSLSA-N 1 0 322.412 3.688 50 0 DHAARO Oc1cccc(CNc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000095428865 185362246 /nfs/dbraw/zinc/36/22/46/185362246.db2.gz TYLPGRADZZHGDS-UHFFFAOYSA-N 1 0 314.454 3.553 50 0 DHAARO CCCOc1ccccc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC000095465129 185371846 /nfs/dbraw/zinc/37/18/46/185371846.db2.gz OSASMJMRZXFJSM-UHFFFAOYSA-N 1 0 309.369 3.684 50 0 DHAARO Cc1c(C(=O)N2CCCCC[C@H]2c2ccco2)ccc2c[nH+]cn21 ZINC000095465664 185371744 /nfs/dbraw/zinc/37/17/44/185371744.db2.gz CINMXEWCXBGVJK-KRWDZBQOSA-N 1 0 323.396 3.993 50 0 DHAARO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C3OCCO3)cc1)CC2 ZINC000097016941 185397447 /nfs/dbraw/zinc/39/74/47/185397447.db2.gz XOKKZFZWXHSRJY-LJQANCHMSA-N 1 0 309.409 3.818 50 0 DHAARO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ncc(C)s2)cc1OC ZINC000097017227 185397625 /nfs/dbraw/zinc/39/76/25/185397625.db2.gz YCFROBBDZUUCHR-AAEUAGOBSA-N 1 0 320.458 3.751 50 0 DHAARO Cc1c(C(=O)O[C@@H](C)c2cccnc2)ccc2c[nH+]c(C3CC3)n21 ZINC000095468953 185372377 /nfs/dbraw/zinc/37/23/77/185372377.db2.gz ICRWWXXBFVJOSA-ZDUSSCGKSA-N 1 0 321.380 3.833 50 0 DHAARO Cc1ccc([C@@](C)(O)C[NH2+]C2CCC(C(F)(F)F)CC2)o1 ZINC000097145915 185416000 /nfs/dbraw/zinc/41/60/00/185416000.db2.gz PSLQNNOUGUEYAX-YIZWMMSDSA-N 1 0 305.340 3.506 50 0 DHAARO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(Br)c1 ZINC000083705085 192378975 /nfs/dbraw/zinc/37/89/75/192378975.db2.gz MRKCJPAPJDNYPQ-CZUORRHYSA-N 1 0 323.278 3.508 50 0 DHAARO COc1ccc(-c2nc(C[NH+]3CCCCC3)c(C)o2)c(F)c1 ZINC000071721443 191013944 /nfs/dbraw/zinc/01/39/44/191013944.db2.gz FEHWDYYUWOMYGH-UHFFFAOYSA-N 1 0 304.365 3.784 50 0 DHAARO CS[C@H](C)CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000072132992 191044294 /nfs/dbraw/zinc/04/42/94/191044294.db2.gz HTIXTNUXTKKTKI-CQSZACIVSA-N 1 0 312.910 3.599 50 0 DHAARO Cc1cccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)n1 ZINC000072145040 191051834 /nfs/dbraw/zinc/05/18/34/191051834.db2.gz HMDFFSXVDWJOJQ-UHFFFAOYSA-N 1 0 300.377 3.573 50 0 DHAARO Cc1n[nH]cc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000072271480 191093699 /nfs/dbraw/zinc/09/36/99/191093699.db2.gz RGYMEMZGNCKREV-IBGZPJMESA-N 1 0 307.397 3.628 50 0 DHAARO Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1Cl ZINC000225584614 186280267 /nfs/dbraw/zinc/28/02/67/186280267.db2.gz UYCVTTBXJJVEQN-MRXNPFEDSA-N 1 0 323.864 3.666 50 0 DHAARO Cc1nccc([C@H](C)[NH2+]CCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000225632778 186284816 /nfs/dbraw/zinc/28/48/16/186284816.db2.gz WEAURNHMRPWMQU-NSHDSACASA-N 1 0 314.820 3.813 50 0 DHAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(N3CCC3=O)c1)CC2 ZINC000225668721 186288074 /nfs/dbraw/zinc/28/80/74/186288074.db2.gz BDGYATZGEIZUIY-IBGZPJMESA-N 1 0 306.409 3.509 50 0 DHAARO Cc1ccc(-c2nccn2C[C@H](c2ccco2)[NH+]2CCCC2)o1 ZINC000072427091 191161637 /nfs/dbraw/zinc/16/16/37/191161637.db2.gz VSZOBGNMGKXQRV-OAHLLOKOSA-N 1 0 311.385 3.882 50 0 DHAARO O[C@@H](C[NH2+]C1CCCCC1)COc1ccc(Cl)cc1Cl ZINC000000074218 563522469 /nfs/dbraw/zinc/52/24/69/563522469.db2.gz NPMXYYJBTJOJIW-ZDUSSCGKSA-N 1 0 318.244 3.655 50 0 DHAARO CC[N@H+](CCC(=O)Nc1ccccc1OC)Cc1ccccc1 ZINC000002783983 180956919 /nfs/dbraw/zinc/95/69/19/180956919.db2.gz OBWXQHQRCOZGFU-UHFFFAOYSA-N 1 0 312.413 3.546 50 0 DHAARO O=C(OCC[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000003614316 181041641 /nfs/dbraw/zinc/04/16/41/181041641.db2.gz LFNQZZQYEWWBGO-UHFFFAOYSA-N 1 0 301.430 3.528 50 0 DHAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH2+]CC(C)C ZINC000004028630 181064175 /nfs/dbraw/zinc/06/41/75/181064175.db2.gz VKYWVRQVIMCGBD-FXRXJOCMSA-N 1 0 305.462 3.690 50 0 biogenic DHAARO CC(=O)N[C@]1(c2ccccc2)CC[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004011764 181062142 /nfs/dbraw/zinc/06/21/42/181062142.db2.gz LTMCHGVWSAGBIT-ORYQWCPZSA-N 1 0 322.452 3.731 50 0 DHAARO C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000004576107 181126219 /nfs/dbraw/zinc/12/62/19/181126219.db2.gz HDYKKIADXMYIEQ-INIZCTEOSA-N 1 0 306.494 3.537 50 0 DHAARO CCC(CC)[NH2+]Cc1cc(Br)c(OC)cc1OC ZINC000004612793 181129932 /nfs/dbraw/zinc/12/99/32/181129932.db2.gz XNDHSXLYJJHYTH-UHFFFAOYSA-N 1 0 316.239 3.745 50 0 DHAARO Cc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000004723239 181142271 /nfs/dbraw/zinc/14/22/71/181142271.db2.gz JUBJMYBYCRZZAN-UHFFFAOYSA-N 1 0 308.425 3.690 50 0 DHAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000004750497 181148378 /nfs/dbraw/zinc/14/83/78/181148378.db2.gz XMVFAHQBMBZBQI-UHFFFAOYSA-N 1 0 308.425 3.569 50 0 DHAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000004833563 181159154 /nfs/dbraw/zinc/15/91/54/181159154.db2.gz DQZLPBBLYGATJO-KRWDZBQOSA-N 1 0 319.489 3.719 50 0 DHAARO Cc1cc(Br)ccc1OCC[NH+]1CCC(C)CC1 ZINC000004845202 181162442 /nfs/dbraw/zinc/16/24/42/181162442.db2.gz MOJNLVOFRGRTJN-UHFFFAOYSA-N 1 0 312.251 3.868 50 0 DHAARO Clc1cc(Br)ccc1OCC[NH+]1CCCCC1 ZINC000004845212 181162615 /nfs/dbraw/zinc/16/26/15/181162615.db2.gz CNWADTLAQYDVPZ-UHFFFAOYSA-N 1 0 318.642 3.967 50 0 DHAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(OC)c1 ZINC000004989547 181186055 /nfs/dbraw/zinc/18/60/55/181186055.db2.gz ZTZCLZRBXRURAD-UHFFFAOYSA-N 1 0 301.430 3.618 50 0 DHAARO O[C@@H](C[NH2+]C1CCCCC1)COCC12CC3CC(CC(C3)C1)C2 ZINC000005188810 181214848 /nfs/dbraw/zinc/21/48/48/181214848.db2.gz JVIGMYCEKLTUFH-DRZUXFPHSA-N 1 0 321.505 3.503 50 0 DHAARO Cc1cc(C[NH2+]C[C@H]2CCCOC2)ccc1Oc1cccnc1 ZINC000237632980 202312255 /nfs/dbraw/zinc/31/22/55/202312255.db2.gz WCFNEMBBHFYDTK-QGZVFWFLSA-N 1 0 312.413 3.699 50 0 DHAARO C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000006008003 181305485 /nfs/dbraw/zinc/30/54/85/181305485.db2.gz YMZSVKVMWNOVCN-LBPRGKRZSA-N 1 0 316.426 3.913 50 0 DHAARO COc1cc(Cl)ccc1NC(=O)C[C@H](C)[NH2+]C1CCCC1 ZINC000006650966 181365467 /nfs/dbraw/zinc/36/54/67/181365467.db2.gz PBOUVTVJLXWYSB-NSHDSACASA-N 1 0 310.825 3.598 50 0 DHAARO c1ccc(COc2ccccc2C[NH2+]Cc2ccncc2)cc1 ZINC000006671816 181368860 /nfs/dbraw/zinc/36/88/60/181368860.db2.gz OXBABMYSOULBPE-UHFFFAOYSA-N 1 0 304.393 3.950 50 0 DHAARO c1nc(-c2cccc(C[NH2+][C@@H](c3ccccc3)C3CC3)c2)n[nH]1 ZINC000091374788 193046974 /nfs/dbraw/zinc/04/69/74/193046974.db2.gz KFORDNLSQFPQSQ-SFHVURJKSA-N 1 0 304.397 3.713 50 0 DHAARO CC(C)[C@@H]1CN(c2ccc3cccc(Cl)c3n2)C[C@H]1[NH+](C)C ZINC000091616440 193079963 /nfs/dbraw/zinc/07/99/63/193079963.db2.gz RKDQYQMKUGJCFH-GOEBONIOSA-N 1 0 317.864 3.911 50 0 DHAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000091593172 193076479 /nfs/dbraw/zinc/07/64/79/193076479.db2.gz ZHLJTZAHSWQAHI-CYBMUJFWSA-N 1 0 305.372 3.561 50 0 DHAARO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000096403977 193620070 /nfs/dbraw/zinc/62/00/70/193620070.db2.gz MNAURQNLDRMTHG-UHFFFAOYSA-N 1 0 312.413 3.679 50 0 DHAARO Cn1cc(C[NH2+][C@@H]2CCCOc3c4ccccc4ccc32)cn1 ZINC000096460037 193656757 /nfs/dbraw/zinc/65/67/57/193656757.db2.gz HORCHTPFIMRMHE-GOSISDBHSA-N 1 0 307.397 3.577 50 0 DHAARO CC(C)[NH+]1CCC(CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012442786 181764034 /nfs/dbraw/zinc/76/40/34/181764034.db2.gz JZSUXLAMAQECJG-UHFFFAOYSA-N 1 0 316.489 3.834 50 0 DHAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000015583746 182008290 /nfs/dbraw/zinc/00/82/90/182008290.db2.gz TWSKQCXDZOILGU-GTNSWQLSSA-N 1 0 316.351 3.569 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](C)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000016192823 182036250 /nfs/dbraw/zinc/03/62/50/182036250.db2.gz IJNRPSLQUTZEGT-SJORKVTESA-N 1 0 305.462 3.902 50 0 DHAARO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000017032282 182070290 /nfs/dbraw/zinc/07/02/90/182070290.db2.gz XASSJSYHPVZVLX-UHFFFAOYSA-N 1 0 311.351 3.688 50 0 DHAARO Cc1[nH]c2ccccc2c1[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000019902623 182162609 /nfs/dbraw/zinc/16/26/09/182162609.db2.gz VBJJVQACEPQLIQ-NRFANRHFSA-N 1 0 319.452 3.813 50 0 DHAARO COc1ccccc1CC[NH2+]Cc1ccccc1Br ZINC000019855977 182157645 /nfs/dbraw/zinc/15/76/45/182157645.db2.gz NUFFBVFDBBKORU-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO c1ccc(OCc2ccc(CCC[NH+]3CCOCC3)cc2)cc1 ZINC000019865692 182158545 /nfs/dbraw/zinc/15/85/45/182158545.db2.gz CVHGCWVMTZWGAY-UHFFFAOYSA-N 1 0 311.425 3.530 50 0 in-man DHAARO COCCN1CCC[C@]2(CC[N@@H+](C3CCCCCCC3)C2)C1 ZINC000020211798 182197383 /nfs/dbraw/zinc/19/73/83/182197383.db2.gz TZCQCNPPWDPXSK-IBGZPJMESA-N 1 0 308.510 3.534 50 0 DHAARO CCC(=O)c1ccccc1OCC[N@@H+]1CCc2ccccc2C1 ZINC000020323575 182207031 /nfs/dbraw/zinc/20/70/31/182207031.db2.gz BNZBUEHOLFZECA-UHFFFAOYSA-N 1 0 309.409 3.716 50 0 DHAARO COc1cc(Cl)c(C[NH2+]CCc2ccccc2)cc1OC ZINC000020325438 182207658 /nfs/dbraw/zinc/20/76/58/182207658.db2.gz BIMPRWJQIRGKFN-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO Clc1cccc(CNCC[NH2+]Cc2cccc(Cl)c2)c1 ZINC000020365441 182211726 /nfs/dbraw/zinc/21/17/26/182211726.db2.gz WCBIPPOEAIYUNE-UHFFFAOYSA-N 1 0 309.240 3.873 50 0 DHAARO CN(CCc1ccccc1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000020472313 182221778 /nfs/dbraw/zinc/22/17/78/182221778.db2.gz JHOUZRQSWZSBSP-IBGZPJMESA-N 1 0 318.530 3.521 50 0 DHAARO CC[NH+](CC)CCCNc1ccc(-c2ccc(Cl)cc2)nn1 ZINC000020739341 182244855 /nfs/dbraw/zinc/24/48/55/182244855.db2.gz WEDNFSNSMVZSHT-UHFFFAOYSA-N 1 0 318.852 3.941 50 0 DHAARO CC(C)CC[C@]1(CC[NH+]2CCN(C)CC2)CCO[C@H](C(C)C)C1 ZINC000020648160 182240536 /nfs/dbraw/zinc/24/05/36/182240536.db2.gz IPORIWFJIBWFBV-PMACEKPBSA-N 1 0 324.553 3.882 50 0 DHAARO CC(C)CC[C@]1(CC[NH2+]CCN(C)C)CCO[C@@H](C(C)C)C1 ZINC000020649284 182241324 /nfs/dbraw/zinc/24/13/24/182241324.db2.gz SDZRWKJHFVQPCS-MOPGFXCFSA-N 1 0 312.542 3.785 50 0 DHAARO CCC(C)(C)c1ccc(OCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000020653085 182242232 /nfs/dbraw/zinc/24/22/32/182242232.db2.gz WGVIYPNUDNOUQA-UHFFFAOYSA-N 1 0 324.896 3.654 50 0 DHAARO CN(C)c1ncc(C[NH+]2CCC(Cc3ccccc3)CC2)s1 ZINC000020912131 182253749 /nfs/dbraw/zinc/25/37/49/182253749.db2.gz VYCMDWNNWRLSBF-UHFFFAOYSA-N 1 0 315.486 3.664 50 0 DHAARO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000021578992 182280290 /nfs/dbraw/zinc/28/02/90/182280290.db2.gz GJZFCXFLSIUPBM-CVEARBPZSA-N 1 0 314.473 3.617 50 0 DHAARO c1cncc([C@H]2CCCC[N@H+]2Cc2ccc3c(c2)OCCO3)c1 ZINC000022078439 182308555 /nfs/dbraw/zinc/30/85/55/182308555.db2.gz TYVLUXFYNPKKEL-QGZVFWFLSA-N 1 0 310.397 3.580 50 0 DHAARO COc1ccc(CC[C@H](C)[NH2+][C@H](C)CCCC(C)(C)O)cc1 ZINC000023283024 182355810 /nfs/dbraw/zinc/35/58/10/182355810.db2.gz SGLFAELVOKUDOS-CVEARBPZSA-N 1 0 307.478 3.936 50 0 DHAARO Cc1ccccc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127984 182349123 /nfs/dbraw/zinc/34/91/23/182349123.db2.gz UFAIMQQWQNTHSV-UHFFFAOYSA-N 1 0 322.452 3.637 50 0 DHAARO Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000028291997 182519066 /nfs/dbraw/zinc/51/90/66/182519066.db2.gz IZCCIKREPBZGQD-FQEVSTJZSA-N 1 0 322.452 3.952 50 0 DHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)C(C)C)cc1OC ZINC000036096123 182798355 /nfs/dbraw/zinc/79/83/55/182798355.db2.gz CMIIETKPKALUBQ-QGZVFWFLSA-N 1 0 323.477 3.569 50 0 DHAARO COc1ccc(C[N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)cc1 ZINC000040013587 183028179 /nfs/dbraw/zinc/02/81/79/183028179.db2.gz XKOCCZIFVWCARX-UHFFFAOYSA-N 1 0 319.788 3.709 50 0 DHAARO c1ccc2sc(N3CC[NH+](C4CCCCC4)CC3)nc2c1 ZINC000039046808 183014009 /nfs/dbraw/zinc/01/40/09/183014009.db2.gz DDWKFSULGYOHOY-UHFFFAOYSA-N 1 0 301.459 3.751 50 0 DHAARO CCc1ccc2c(C[n+]3ccc4c(c3)CCCC4)cc(=O)oc2c1 ZINC000041863518 183222806 /nfs/dbraw/zinc/22/28/06/183222806.db2.gz NBBQUALNUWYWHK-UHFFFAOYSA-N 1 0 320.412 3.570 50 0 DHAARO C[NH2+]Cc1cccc(Br)c1OCc1ccccc1 ZINC000042303353 183252272 /nfs/dbraw/zinc/25/22/72/183252272.db2.gz ZSRPHJKOZZVWGX-UHFFFAOYSA-N 1 0 306.203 3.748 50 0 DHAARO C[NH+](C)C(C)(C)CNC(=O)c1sc2ccccc2c1Cl ZINC000042159421 183236456 /nfs/dbraw/zinc/23/64/56/183236456.db2.gz HPZNXPGASOFKNU-UHFFFAOYSA-N 1 0 310.850 3.625 50 0 DHAARO CC1CC[NH+](Cc2ccc(NC(=O)c3ccccn3)cc2)CC1 ZINC000043268121 183349219 /nfs/dbraw/zinc/34/92/19/183349219.db2.gz XXUPHNPBGONBNG-UHFFFAOYSA-N 1 0 309.413 3.566 50 0 DHAARO C[C@H](CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000048374070 183653081 /nfs/dbraw/zinc/65/30/81/183653081.db2.gz NYEWLKFVPFIXQH-KZNAEPCWSA-N 1 0 316.489 3.664 50 0 DHAARO CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1csc2ccccc12 ZINC000052806124 183874601 /nfs/dbraw/zinc/87/46/01/183874601.db2.gz RGRMVRDKVUJZKI-CYBMUJFWSA-N 1 0 304.459 3.638 50 0 DHAARO C[C@@H](CNC(=O)c1cc2ccccc2s1)[NH+]1CCCCC1 ZINC000055933592 184001286 /nfs/dbraw/zinc/00/12/86/184001286.db2.gz KPMOCSPSDYAQLY-ZDUSSCGKSA-N 1 0 302.443 3.506 50 0 DHAARO CCCCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000056284265 184009371 /nfs/dbraw/zinc/00/93/71/184009371.db2.gz PPUVVGUZHJIPEC-HNNXBMFYSA-N 1 0 320.452 3.905 50 0 DHAARO C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000057752195 184051213 /nfs/dbraw/zinc/05/12/13/184051213.db2.gz UHXXYSXGQRBRKN-JTQLQIEISA-N 1 0 324.211 3.678 50 0 DHAARO COc1ccc2cc(C[NH2+]Cc3ccccc3CO)ccc2c1 ZINC000058165867 184083206 /nfs/dbraw/zinc/08/32/06/184083206.db2.gz YKZGWNKCQCVZMQ-UHFFFAOYSA-N 1 0 307.393 3.631 50 0 DHAARO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000058167349 184083836 /nfs/dbraw/zinc/08/38/36/184083836.db2.gz KQJHYRJEUXJJMC-GDBMZVCRSA-N 1 0 323.483 3.524 50 0 DHAARO CC[N@@H+]1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000058183608 184085296 /nfs/dbraw/zinc/08/52/96/184085296.db2.gz GLRGOWZRTKIXGV-UHFFFAOYSA-N 1 0 316.232 3.553 50 0 DHAARO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCCc1ccccc1 ZINC000058315501 184104721 /nfs/dbraw/zinc/10/47/21/184104721.db2.gz PGAOGWFXVSSTEY-HNNXBMFYSA-N 1 0 321.424 3.549 50 0 DHAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c(C)noc1C ZINC000058525564 184121680 /nfs/dbraw/zinc/12/16/80/184121680.db2.gz YXHJHSMNPNZBMN-INIZCTEOSA-N 1 0 300.402 3.507 50 0 DHAARO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCc3ccccc32)cc1 ZINC000059038191 184133712 /nfs/dbraw/zinc/13/37/12/184133712.db2.gz AOFFDXKDCVPYNY-MRXNPFEDSA-N 1 0 308.425 3.577 50 0 DHAARO CCc1ccsc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000060155630 184144784 /nfs/dbraw/zinc/14/47/84/184144784.db2.gz GVICYAKFXXGISP-MRXNPFEDSA-N 1 0 316.470 3.652 50 0 DHAARO CS[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000061570247 184175361 /nfs/dbraw/zinc/17/53/61/184175361.db2.gz HIKANEAPRBBLDM-KGLIPLIRSA-N 1 0 306.475 3.609 50 0 DHAARO C[C@H](c1cccc(-c2ccc(NC3CC3)nn2)c1)[NH+]1CCCC1 ZINC000065395274 184335208 /nfs/dbraw/zinc/33/52/08/184335208.db2.gz QVXZFLPIXVXMBY-CQSZACIVSA-N 1 0 308.429 3.875 50 0 DHAARO CCc1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000069417862 184513306 /nfs/dbraw/zinc/51/33/06/184513306.db2.gz ROVIZUNMWDHGJW-KXBFYZLASA-N 1 0 317.477 3.881 50 0 DHAARO Nc1cc[nH+]c(-c2cccc(C(=O)N3C[C@@H]4CCC[C@@H](C4)C3)c2)c1 ZINC000426657108 257244069 /nfs/dbraw/zinc/24/40/69/257244069.db2.gz ZFTKJRLVGQGOAF-GASCZTMLSA-N 1 0 321.424 3.593 50 0 DHAARO c1cc(-c2ccc(-c3ccc(C[NH+]4CCCC4)cn3)cc2)n[nH]1 ZINC000426667724 257244603 /nfs/dbraw/zinc/24/46/03/257244603.db2.gz YPPBJYCLDVTVOA-UHFFFAOYSA-N 1 0 304.397 3.735 50 0 DHAARO CC[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000289375997 131379724 /nfs/dbraw/zinc/37/97/24/131379724.db2.gz BVASVBSMYSHBPN-SFHVURJKSA-N 1 0 313.445 3.652 50 0 DHAARO COc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1C ZINC000004980914 134466911 /nfs/dbraw/zinc/46/69/11/134466911.db2.gz RWGROVASSIDNCI-UHFFFAOYSA-N 1 0 324.468 3.943 50 0 DHAARO COC[C@@H](C)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000188329448 333044239 /nfs/dbraw/zinc/04/42/39/333044239.db2.gz CUDAYMFNSTZSBY-NSHDSACASA-N 1 0 322.499 3.821 50 0 DHAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000534670176 334320015 /nfs/dbraw/zinc/32/00/15/334320015.db2.gz OTWDAOOGMNUXJH-GFCCVEGCSA-N 1 0 308.853 3.612 50 0 DHAARO CC[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cccs1 ZINC000426337126 338027762 /nfs/dbraw/zinc/02/77/62/338027762.db2.gz YQVXHAARQVSGBI-HNNXBMFYSA-N 1 0 312.438 3.841 50 0 DHAARO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1)C1CCCC1 ZINC000449263632 338608041 /nfs/dbraw/zinc/60/80/41/338608041.db2.gz LSTOUDHKDYIDFZ-SOLBZPMBSA-N 1 0 305.466 3.589 50 0 DHAARO CC(C)n1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)n1 ZINC000075864270 341186514 /nfs/dbraw/zinc/18/65/14/341186514.db2.gz QOZZPNWWNNSMDN-SFHVURJKSA-N 1 0 313.445 3.503 50 0 DHAARO CCS[C@@H]1CCCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000328592604 529206628 /nfs/dbraw/zinc/20/66/28/529206628.db2.gz NUFZCJROGCCHQF-HZPDHXFCSA-N 1 0 313.894 3.981 50 0 DHAARO CC(=O)N1CCC([NH2+]Cc2sc3ccccc3c2Cl)CC1 ZINC000037977307 563895150 /nfs/dbraw/zinc/89/51/50/563895150.db2.gz QZQLPFOJJMHMER-UHFFFAOYSA-N 1 0 322.861 3.655 50 0 DHAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000195575841 563919712 /nfs/dbraw/zinc/91/97/12/563919712.db2.gz SYQIZYSEWALVKY-QFBILLFUSA-N 1 0 307.478 3.639 50 0 DHAARO CC(=O)NC1CCC([NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000132907558 563943442 /nfs/dbraw/zinc/94/34/42/563943442.db2.gz AUANMRNVDORWKB-XGNXJENSSA-N 1 0 323.506 3.539 50 0 DHAARO Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000055254464 563472650 /nfs/dbraw/zinc/47/26/50/563472650.db2.gz VXKQQDKQKVJLPS-HNNXBMFYSA-N 1 0 300.427 3.546 50 0 DHAARO C[C@@H]([NH2+]Cc1csc(C2CCCC2)n1)[C@@H](C)n1cccn1 ZINC000071882056 563211540 /nfs/dbraw/zinc/21/15/40/563211540.db2.gz DQNWDYFYRREUEE-CHWSQXEVSA-N 1 0 304.463 3.737 50 0 DHAARO C[N@H+](CCOC(=O)c1cccc(Cl)c1)Cc1ccccc1 ZINC000000314947 563240065 /nfs/dbraw/zinc/24/00/65/563240065.db2.gz MOQSACZHJKHRFA-UHFFFAOYSA-N 1 0 303.789 3.629 50 0 DHAARO C[NH+](C)CCOc1ccc2c(c1)Sc1ccccc1CC2=O ZINC000000347726 563243160 /nfs/dbraw/zinc/24/31/60/563243160.db2.gz ALUAWMIKIFEMQG-UHFFFAOYSA-N 1 0 313.422 3.517 50 0 DHAARO c1ccc(COc2ccc(C[NH2+]Cc3cccnc3)cc2)cc1 ZINC000000517059 563264157 /nfs/dbraw/zinc/26/41/57/563264157.db2.gz FUFUDQMKECPDLX-UHFFFAOYSA-N 1 0 304.393 3.950 50 0 DHAARO C[C@@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(Cl)cc2)N1O ZINC000001205912 563279468 /nfs/dbraw/zinc/27/94/68/563279468.db2.gz DTVMNQRNCCSXAT-PXAZEXFGSA-N 1 0 316.788 3.606 50 0 DHAARO [NH3+]C[C@H](CCO[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000034625813 563311374 /nfs/dbraw/zinc/31/13/74/563311374.db2.gz SGVWGQRMFAWWKV-WFASDCNBSA-N 1 0 318.244 3.969 50 0 DHAARO CC(C)[NH+](CCOc1ccc(Br)cc1)C(C)C ZINC000002585695 563310313 /nfs/dbraw/zinc/31/03/13/563310313.db2.gz ZBQQRPFYLMVOQH-UHFFFAOYSA-N 1 0 300.240 3.947 50 0 DHAARO CCC[NH+](CCC)C[C@H](O)COc1ccc2ccccc2c1 ZINC000002665515 563311384 /nfs/dbraw/zinc/31/13/84/563311384.db2.gz ZJRPTUFWNFAMSR-SFHVURJKSA-N 1 0 301.430 3.702 50 0 DHAARO CN(C)C(=O)CCCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000071904299 563331833 /nfs/dbraw/zinc/33/18/33/563331833.db2.gz ZOPFLEBFTSMSSC-UHFFFAOYSA-N 1 0 322.452 3.928 50 0 DHAARO CCC1CCC([NH+]2CCN(c3cccc(OC)c3)CC2)CC1 ZINC000006667496 563332898 /nfs/dbraw/zinc/33/28/98/563332898.db2.gz MMPZWSLSXAZHPC-UHFFFAOYSA-N 1 0 302.462 3.786 50 0 DHAARO CCC[NH+]1CCN(C(=O)Nc2ccc([C@@H](C)CC)cc2)CC1 ZINC000006741704 563334035 /nfs/dbraw/zinc/33/40/35/563334035.db2.gz XZPBRIBOWWZQMC-HNNXBMFYSA-N 1 0 303.450 3.760 50 0 DHAARO CCO[C@H](C)c1noc(CN(Cc2ccccc2)C(C)C)n1 ZINC000071914903 563341899 /nfs/dbraw/zinc/34/18/99/563341899.db2.gz IATVFPCRYDIYKY-CQSZACIVSA-N 1 0 303.406 3.578 50 0 DHAARO O[C@@H](C[NH2+]C1CCCC1)Cn1c2ccccc2c2ccccc21 ZINC000002836911 563343395 /nfs/dbraw/zinc/34/33/95/563343395.db2.gz UIWHEXAVANZGHK-INIZCTEOSA-N 1 0 308.425 3.688 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000008157494 563344807 /nfs/dbraw/zinc/34/48/07/563344807.db2.gz FPSAWAKOLNLRSV-UHFFFAOYSA-N 1 0 315.244 3.598 50 0 DHAARO Cc1ccc([C@]2(O)C[N+](c3ccccc3C)=C3CCCCN32)cc1 ZINC000002966429 563345302 /nfs/dbraw/zinc/34/53/02/563345302.db2.gz WCDTZNBHNKMWEO-OAQYLSRUSA-N 1 0 321.444 3.564 50 0 DHAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000008326373 563346126 /nfs/dbraw/zinc/34/61/26/563346126.db2.gz JZCGZMCXFCPWRC-INIZCTEOSA-N 1 0 319.832 3.780 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000009970623 563355082 /nfs/dbraw/zinc/35/50/82/563355082.db2.gz OETPTNXLMHOFES-SFHVURJKSA-N 1 0 313.441 3.648 50 0 DHAARO CCC[N@@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000011911988 563360301 /nfs/dbraw/zinc/36/03/01/563360301.db2.gz QABQQBLEZXMWTQ-LBPRGKRZSA-N 1 0 305.372 3.944 50 0 DHAARO Cc1cc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1C(C)C ZINC000012169986 563363092 /nfs/dbraw/zinc/36/30/92/563363092.db2.gz IBEOLOWEHFZXPQ-JFIYKMOQSA-N 1 0 319.489 3.836 50 0 DHAARO Cc1c(C)n(-c2cccnc2)c2[nH+]c3c(c(N)c12)CCCCC3 ZINC000012324800 563366129 /nfs/dbraw/zinc/36/61/29/563366129.db2.gz MQXLSURYAADQRQ-UHFFFAOYSA-N 1 0 306.413 3.888 50 0 DHAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](CC2CC2)C1 ZINC000012437746 563370154 /nfs/dbraw/zinc/37/01/54/563370154.db2.gz ADKCSFFEARWNQA-HXUWFJFHSA-N 1 0 315.457 3.593 50 0 DHAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C)c2)oc1C ZINC000012571947 563371242 /nfs/dbraw/zinc/37/12/42/563371242.db2.gz FTZCNBHJIYSKBF-KRWDZBQOSA-N 1 0 314.429 3.959 50 0 DHAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccoc2)c2cccs2)CC1 ZINC000012903810 563375191 /nfs/dbraw/zinc/37/51/91/563375191.db2.gz IOTYXMAPWMUFAU-HNNXBMFYSA-N 1 0 318.442 3.544 50 0 DHAARO C[C@H](C(=O)Nc1ccc(F)cc1)N(C)Cc1ccccc1Cl ZINC000013075440 563377642 /nfs/dbraw/zinc/37/76/42/563377642.db2.gz RYQBKZWLIYAIJP-GFCCVEGCSA-N 1 0 320.795 3.938 50 0 DHAARO CCC[NH+]1CCC(Nc2ncnc3c4ccccc4oc32)CC1 ZINC000032743509 563388789 /nfs/dbraw/zinc/38/87/89/563388789.db2.gz SILCNWZZEWMUKR-UHFFFAOYSA-N 1 0 310.401 3.662 50 0 DHAARO Cc1ccccc1CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032754426 563390555 /nfs/dbraw/zinc/39/05/55/563390555.db2.gz RMMULUDPOQNXBO-HNNXBMFYSA-N 1 0 317.454 3.592 50 0 DHAARO CC(C)(C)SCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000032827455 563400323 /nfs/dbraw/zinc/40/03/23/563400323.db2.gz LAFLUMZCTVOSNT-UHFFFAOYSA-N 1 0 306.475 3.753 50 0 DHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000015066491 563406873 /nfs/dbraw/zinc/40/68/73/563406873.db2.gz IRMCBKDXTASVRY-CQSZACIVSA-N 1 0 319.399 3.841 50 0 DHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000016396171 563412287 /nfs/dbraw/zinc/41/22/87/563412287.db2.gz PSAWNQYKXMWCRQ-UHFFFAOYSA-N 1 0 322.452 3.523 50 0 DHAARO Cc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC000032925019 563412780 /nfs/dbraw/zinc/41/27/80/563412780.db2.gz RRZQZPJCIOUMIW-UHFFFAOYSA-N 1 0 316.470 3.827 50 0 DHAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC000033438721 563417093 /nfs/dbraw/zinc/41/70/93/563417093.db2.gz JIBDBHTXDZGOLX-IBGZPJMESA-N 1 0 313.441 3.645 50 0 DHAARO Clc1ccccc1-c1n[nH]c2c1C[N@@H+]([C@H]1CCSC1)CC2 ZINC000020542043 563417818 /nfs/dbraw/zinc/41/78/18/563417818.db2.gz OPOPMCQBDJCKRU-NSHDSACASA-N 1 0 319.861 3.594 50 0 DHAARO C[C@@H](CNC(=O)NC1CCCCCCC1)[NH+]1CCC(C)CC1 ZINC000072044360 563418416 /nfs/dbraw/zinc/41/84/16/563418416.db2.gz KJIAUBMDSQGPFF-INIZCTEOSA-N 1 0 309.498 3.519 50 0 DHAARO CCC1CCC([NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000023281067 563419949 /nfs/dbraw/zinc/41/99/49/563419949.db2.gz BMTCMNUZQDBHET-UHFFFAOYSA-N 1 0 314.473 3.980 50 0 DHAARO C[NH+](C)Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000023898910 563420856 /nfs/dbraw/zinc/42/08/56/563420856.db2.gz IGEFFQORHFSRFL-UHFFFAOYSA-N 1 0 312.457 3.903 50 0 DHAARO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000025410973 563422828 /nfs/dbraw/zinc/42/28/28/563422828.db2.gz WBLURPAGRKIDKQ-YESZJQIVSA-N 1 0 300.446 3.834 50 0 DHAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2nc3ccccc3s2)c1 ZINC000072269836 563428052 /nfs/dbraw/zinc/42/80/52/563428052.db2.gz CKVKDJOPQLRVIX-QWHCGFSZSA-N 1 0 300.431 3.541 50 0 DHAARO CC1CC[NH+]([C@@H](CNC(=O)C2CCCC2)c2cccs2)CC1 ZINC000027573597 563428139 /nfs/dbraw/zinc/42/81/39/563428139.db2.gz SKXAWUPZHRAEFD-INIZCTEOSA-N 1 0 320.502 3.828 50 0 DHAARO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582160 563428861 /nfs/dbraw/zinc/42/88/61/563428861.db2.gz WLFZXMPGOWHGHP-MRXNPFEDSA-N 1 0 314.454 3.623 50 0 DHAARO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000029482576 563434479 /nfs/dbraw/zinc/43/44/79/563434479.db2.gz GVZIHFTYHDZGED-QGZVFWFLSA-N 1 0 316.351 3.523 50 0 DHAARO Cc1cc(C)n(CCC[NH2+][C@H](C)COc2c(C)cccc2C)n1 ZINC000032576451 563442353 /nfs/dbraw/zinc/44/23/53/563442353.db2.gz VOWOMXPWYPYVLY-QGZVFWFLSA-N 1 0 315.461 3.564 50 0 DHAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cn(C)nc2C)cc1 ZINC000033087103 563444211 /nfs/dbraw/zinc/44/42/11/563444211.db2.gz RTJRKSPWBGKHDR-LJQANCHMSA-N 1 0 313.445 3.854 50 0 DHAARO C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000002686920 563448582 /nfs/dbraw/zinc/44/85/82/563448582.db2.gz MEFYHBGGTGOIRY-KBXCAEBGSA-N 1 0 319.832 3.568 50 0 DHAARO CCNc1cc2oc(=O)c(C[NH+]3CCCCC3)c(C)c2cc1C ZINC000004913334 563449643 /nfs/dbraw/zinc/44/96/43/563449643.db2.gz ADTOWLHXCACTNC-UHFFFAOYSA-N 1 0 314.429 3.828 50 0 DHAARO Clc1ccccc1COCc1ccc2c(c1)C[NH2+]CCO2 ZINC000034928817 563452100 /nfs/dbraw/zinc/45/21/00/563452100.db2.gz IODAIYCSOPDXPJ-UHFFFAOYSA-N 1 0 303.789 3.539 50 0 DHAARO C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000037020894 563457097 /nfs/dbraw/zinc/45/70/97/563457097.db2.gz BHJSUOSPYWNLPB-PWSUYJOCSA-N 1 0 308.834 3.669 50 0 DHAARO C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000037020895 563457257 /nfs/dbraw/zinc/45/72/57/563457257.db2.gz BHJSUOSPYWNLPB-CMPLNLGQSA-N 1 0 308.834 3.669 50 0 DHAARO CC[C@@H](C)[N@H+](Cc1cc2c(cc1OC)OCO2)C1CCCC1 ZINC000055242180 563473076 /nfs/dbraw/zinc/47/30/76/563473076.db2.gz KTKIVLVXXPRZJW-CYBMUJFWSA-N 1 0 305.418 3.967 50 0 DHAARO Cc1cc(C)c(CN(C)[C@@H](C)c2nccs2)c(C)c1CO ZINC000055359267 563474511 /nfs/dbraw/zinc/47/45/11/563474511.db2.gz DLOARPQVMVPZPN-AWEZNQCLSA-N 1 0 304.459 3.754 50 0 DHAARO c1ncn(C2CC[NH+](CCCc3cccc4ccccc43)CC2)n1 ZINC000096412950 563480275 /nfs/dbraw/zinc/48/02/75/563480275.db2.gz GTOCMPABHWYTHO-UHFFFAOYSA-N 1 0 320.440 3.701 50 0 DHAARO c1cn(CCC[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)cn1 ZINC000096493047 563485484 /nfs/dbraw/zinc/48/54/84/563485484.db2.gz VKDIZRZRCYSEIK-UHFFFAOYSA-N 1 0 308.429 3.634 50 0 DHAARO CCCc1ccc(-c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC000067677919 563488649 /nfs/dbraw/zinc/48/86/49/563488649.db2.gz JOIIBBOWNWSRNC-QGZVFWFLSA-N 1 0 322.452 3.727 50 0 DHAARO C[C@@H](c1ccc(-c2ccc3n[nH]cc3c2)cc1)[NH+]1CCOCC1 ZINC000067674613 563488694 /nfs/dbraw/zinc/48/86/94/563488694.db2.gz PTLOXROIDCGUIC-AWEZNQCLSA-N 1 0 307.397 3.623 50 0 DHAARO COC(C)(C)C[C@H](C)[NH2+]CCc1nc2c(ccc(C)c2C)[nH]1 ZINC000067643261 563488834 /nfs/dbraw/zinc/48/88/34/563488834.db2.gz WKYFJGVTKJKKAU-ZDUSSCGKSA-N 1 0 303.450 3.515 50 0 DHAARO c1nc2c([nH]1)[C@@H](CCc1ccccc1)N(Cc1cccnc1)CC2 ZINC000067713128 563489410 /nfs/dbraw/zinc/48/94/10/563489410.db2.gz IZPSSTBTYCEUOK-LJQANCHMSA-N 1 0 318.424 3.537 50 0 DHAARO Cc1ccc(C2(O)CC[NH+](Cc3c(C)cc(C)cc3C)CC2)nc1 ZINC000067692619 563489817 /nfs/dbraw/zinc/48/98/17/563489817.db2.gz UPLCYKUIQVSSIN-UHFFFAOYSA-N 1 0 324.468 3.799 50 0 DHAARO CO[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1cccs1 ZINC000067868180 563492036 /nfs/dbraw/zinc/49/20/36/563492036.db2.gz CGBLJMSEHRHTPH-QGZVFWFLSA-N 1 0 316.470 3.694 50 0 DHAARO C[NH+]1CCC(Cc2noc(-c3ccc(-c4ccccc4)[nH]3)n2)CC1 ZINC000067855500 563492279 /nfs/dbraw/zinc/49/22/79/563492279.db2.gz HMIYWKREDOPNSY-UHFFFAOYSA-N 1 0 322.412 3.616 50 0 DHAARO C[NH2+]Cc1cc(-c2cccc(-n3nc(C)cc3C)c2)ccc1OC ZINC000067869157 563492413 /nfs/dbraw/zinc/49/24/13/563492413.db2.gz DWWDGUORAXXKEH-UHFFFAOYSA-N 1 0 321.424 3.884 50 0 DHAARO C[NH+](C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1 ZINC000067895482 563493600 /nfs/dbraw/zinc/49/36/00/563493600.db2.gz RGRYKFBXJADEMV-UHFFFAOYSA-N 1 0 323.444 3.528 50 0 DHAARO CC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000067973665 563494221 /nfs/dbraw/zinc/49/42/21/563494221.db2.gz OZSRNPBNDAPDSV-INIZCTEOSA-N 1 0 324.468 3.824 50 0 DHAARO Cc1ccc2cc(C3(O)CC[NH+](Cc4ccoc4)CC3)ccc2n1 ZINC000067982354 563495050 /nfs/dbraw/zinc/49/50/50/563495050.db2.gz BLBQFEVPKLNWJG-UHFFFAOYSA-N 1 0 322.408 3.620 50 0 DHAARO Cc1nnc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)o1 ZINC000097110968 563506352 /nfs/dbraw/zinc/50/63/52/563506352.db2.gz WTUPZDTZCPOHTK-NXEZZACHSA-N 1 0 313.323 3.679 50 0 DHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000077488999 563510628 /nfs/dbraw/zinc/51/06/28/563510628.db2.gz MFXMWXUWFCRIHX-GOSISDBHSA-N 1 0 301.409 3.775 50 0 DHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000077488996 563511167 /nfs/dbraw/zinc/51/11/67/563511167.db2.gz MFXMWXUWFCRIHX-SFHVURJKSA-N 1 0 301.409 3.775 50 0 DHAARO CC[NH+](CC)[C@H](CNc1nc(C)cc(C)n1)c1ccsc1 ZINC000097286642 563515201 /nfs/dbraw/zinc/51/52/01/563515201.db2.gz UVWZGQXYVLOAJZ-OAHLLOKOSA-N 1 0 304.463 3.650 50 0 DHAARO CC[NH+](CC)CCNc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000000084801 563524962 /nfs/dbraw/zinc/52/49/62/563524962.db2.gz HFECVZFVUCMTIY-LBPRGKRZSA-N 1 0 318.490 3.570 50 0 DHAARO Cc1noc(C)c1CN(C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000097213214 563537979 /nfs/dbraw/zinc/53/79/79/563537979.db2.gz HAZKICSXBIIAPI-UHFFFAOYSA-N 1 0 319.474 3.581 50 0 DHAARO Cc1nccn1CC1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000097698743 563541699 /nfs/dbraw/zinc/54/16/99/563541699.db2.gz XDWLPUFTUGZILO-UHFFFAOYSA-N 1 0 301.409 3.551 50 0 DHAARO COc1cccc2ccc(C[N@H+](C)C3CCSCC3)nc21 ZINC000097717248 563541964 /nfs/dbraw/zinc/54/19/64/563541964.db2.gz ACEGLIHZMAPWEY-UHFFFAOYSA-N 1 0 302.443 3.571 50 0 DHAARO COc1ccc(OC)c(/C=C\c2cc3ccccc3c[n+]2C)c1 ZINC000005351682 563624258 /nfs/dbraw/zinc/62/42/58/563624258.db2.gz JFYHPNHNNNHAFM-HJWRWDBZSA-N 1 0 306.385 3.852 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccccn2)cc1 ZINC000047191024 563678952 /nfs/dbraw/zinc/67/89/52/563678952.db2.gz NWYMDWSZAJRVQD-OAHLLOKOSA-N 1 0 309.413 3.708 50 0 DHAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC000107544305 563684001 /nfs/dbraw/zinc/68/40/01/563684001.db2.gz VCEGBPKEJZPIMG-TXXUCJGISA-N 1 0 321.530 3.925 50 0 DHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC000107504862 563684010 /nfs/dbraw/zinc/68/40/10/563684010.db2.gz RVJQIQFQXDVDQY-LBTNJELSSA-N 1 0 318.436 3.513 50 0 DHAARO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000108489469 563688675 /nfs/dbraw/zinc/68/86/75/563688675.db2.gz AOYHLFHFBYGRBL-FXPVBKGRSA-N 1 0 303.233 3.794 50 0 DHAARO Cc1cc(C)c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000045951818 563691278 /nfs/dbraw/zinc/69/12/78/563691278.db2.gz MMNODLYVTWRJBH-IRXDYDNUSA-N 1 0 317.477 3.996 50 0 DHAARO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(C)cc2C)c1 ZINC000047794111 563692440 /nfs/dbraw/zinc/69/24/40/563692440.db2.gz SRHPJNFEMSAPON-UHFFFAOYSA-N 1 0 310.441 3.733 50 0 DHAARO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000048299314 563695751 /nfs/dbraw/zinc/69/57/51/563695751.db2.gz PQNXPRPDGLHCMK-QGZVFWFLSA-N 1 0 314.816 3.943 50 0 DHAARO O=C(Nc1cccc(CNCc2ccccn2)c1)C1CCCC1 ZINC000048781318 563699848 /nfs/dbraw/zinc/69/98/48/563699848.db2.gz NLLFIMGQLQEMBY-UHFFFAOYSA-N 1 0 309.413 3.500 50 0 DHAARO O=C(Nc1cccc(CNCc2ccco2)c1)c1cccc(F)c1 ZINC000048781511 563700096 /nfs/dbraw/zinc/70/00/96/563700096.db2.gz RQKXLXUDSWNAJE-UHFFFAOYSA-N 1 0 324.355 3.961 50 0 DHAARO Cc1cc(C)c(-n2cccn2)c(C[NH+]2CCC(F)(F)CC2)c1 ZINC000215201905 563704624 /nfs/dbraw/zinc/70/46/24/563704624.db2.gz FPVHFILHZYDXCJ-UHFFFAOYSA-N 1 0 305.372 3.720 50 0 DHAARO C[N@H+](CCC[C@@H]1CCCO1)Cc1cnc(C2CCCCC2)nc1 ZINC000215456190 563705253 /nfs/dbraw/zinc/70/52/53/563705253.db2.gz DNMXYKFFWZMQDM-GOSISDBHSA-N 1 0 317.477 3.915 50 0 DHAARO Cc1c2ccccc2oc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000215585484 563706359 /nfs/dbraw/zinc/70/63/59/563706359.db2.gz CDJHLZGUQUMXRH-HNNXBMFYSA-N 1 0 309.413 3.854 50 0 DHAARO Cc1csc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000221868017 563724206 /nfs/dbraw/zinc/72/42/06/563724206.db2.gz PDCDDWPMQCJPNE-HUUCEWRRSA-N 1 0 320.458 3.913 50 0 DHAARO CC(C)(C)SCCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000225388846 563753427 /nfs/dbraw/zinc/75/34/27/563753427.db2.gz IWCLIZYCFIQROD-UHFFFAOYSA-N 1 0 321.486 3.971 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCCCC2)c2c1cccc2Cl ZINC000012421921 563774169 /nfs/dbraw/zinc/77/41/69/563774169.db2.gz WYTXGWVXLDPQKM-OAHLLOKOSA-N 1 0 320.864 3.758 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000239302627 563775854 /nfs/dbraw/zinc/77/58/54/563775854.db2.gz FMTHLQDBSCILBQ-UJWQCDCRSA-N 1 0 311.510 3.557 50 0 DHAARO COCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000244712704 563779362 /nfs/dbraw/zinc/77/93/62/563779362.db2.gz KUXTVDXBCAYEIO-CQSZACIVSA-N 1 0 324.852 3.560 50 0 DHAARO COc1ccc([C@H](C)[N@H+](C)CCCc2cccnc2)c(OC)c1 ZINC000244773951 563780016 /nfs/dbraw/zinc/78/00/16/563780016.db2.gz PJIMXXJBOHDXGT-HNNXBMFYSA-N 1 0 314.429 3.724 50 0 DHAARO CC(C)[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248000329 563782014 /nfs/dbraw/zinc/78/20/14/563782014.db2.gz NWJWDKPNIOVDQK-UHFFFAOYSA-N 1 0 324.403 3.631 50 0 DHAARO CC[C@@H](c1ccc(OC)cc1)[N@H+](C)Cc1[nH]cc(C)c(=O)c1C ZINC000253537388 563784574 /nfs/dbraw/zinc/78/45/74/563784574.db2.gz UADMSGVAQHKBLB-SFHVURJKSA-N 1 0 314.429 3.996 50 0 DHAARO COCc1noc(CN2CCCC[C@@H]2c2cccc(C)c2C)n1 ZINC000182369554 563793631 /nfs/dbraw/zinc/79/36/31/563793631.db2.gz BALFDFVKXMQAJL-MRXNPFEDSA-N 1 0 315.417 3.560 50 0 DHAARO c1c[nH]c(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c1 ZINC000299756877 563804322 /nfs/dbraw/zinc/80/43/22/563804322.db2.gz IHFHSIDKCYYEGR-UAGQMJEPSA-N 1 0 320.396 3.758 50 0 DHAARO O=C(NCc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010327896 563813832 /nfs/dbraw/zinc/81/38/32/563813832.db2.gz JAEDQRPDBJRTAD-UHFFFAOYSA-N 1 0 308.425 3.603 50 0 DHAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000084148698 563824320 /nfs/dbraw/zinc/82/43/20/563824320.db2.gz QYBFIDPEFVGDFE-JXFKEZNVSA-N 1 0 321.424 3.565 50 0 DHAARO CC(C)Cc1noc(CN(C)CC23CC4CC(CC(C4)C2)C3)n1 ZINC000084575212 563827799 /nfs/dbraw/zinc/82/77/99/563827799.db2.gz SJIFXXZYIGVBNI-UHFFFAOYSA-N 1 0 317.477 3.916 50 0 DHAARO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@](C)(CO)C1 ZINC000084651509 563829312 /nfs/dbraw/zinc/82/93/12/563829312.db2.gz QMOGJVSNJZOYSB-SWLSCSKDSA-N 1 0 312.251 3.605 50 0 DHAARO CC[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000084734137 563830490 /nfs/dbraw/zinc/83/04/90/563830490.db2.gz BJIIIOCIGYJTQY-WBMJQRKESA-N 1 0 305.372 3.780 50 0 DHAARO O[C@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000001470098 563838372 /nfs/dbraw/zinc/83/83/72/563838372.db2.gz OLCNTOSCOMSZAV-IBGZPJMESA-N 1 0 317.473 3.960 50 0 DHAARO CCc1cc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000020167284 563843145 /nfs/dbraw/zinc/84/31/45/563843145.db2.gz YGPXOYRAXDAZHM-KBPBESRZSA-N 1 0 311.853 3.781 50 0 DHAARO Fc1c(Cl)cccc1C[NH2+]Cc1cccc(-c2nc[nH]n2)c1 ZINC000150916879 563852852 /nfs/dbraw/zinc/85/28/52/563852852.db2.gz CXIQINBXZASXNM-UHFFFAOYSA-N 1 0 316.767 3.554 50 0 DHAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000221902753 563869416 /nfs/dbraw/zinc/86/94/16/563869416.db2.gz WPTUSCVGQBFGFQ-KNLKSIEXSA-N 1 0 315.429 3.695 50 0 DHAARO CO[C@@H](C[NH2+][C@H](C)c1cnc(C)nc1C)c1ccccc1Cl ZINC000090453401 563870395 /nfs/dbraw/zinc/87/03/95/563870395.db2.gz JRVXACUDALASGE-DIFFPNOSSA-N 1 0 319.836 3.785 50 0 DHAARO CO[C@@H](C[NH2+][C@@H](C)c1cnc(C)nc1C)c1ccccc1Cl ZINC000090453402 563870544 /nfs/dbraw/zinc/87/05/44/563870544.db2.gz JRVXACUDALASGE-GTNSWQLSSA-N 1 0 319.836 3.785 50 0 DHAARO O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000090770873 563875591 /nfs/dbraw/zinc/87/55/91/563875591.db2.gz QXBYARKTSBAARM-WOJBJXKFSA-N 1 0 307.437 3.647 50 0 DHAARO CC(C)[N@H+](Cc1csc([C@@H]2CCCO2)n1)[C@@H]1CCCC[C@@H]1O ZINC000091074649 563877697 /nfs/dbraw/zinc/87/76/97/563877697.db2.gz BODNXNGDKXODRO-PMPSAXMXSA-N 1 0 324.490 3.509 50 0 DHAARO CC(C)c1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cs1 ZINC000240894763 563880353 /nfs/dbraw/zinc/88/03/53/563880353.db2.gz IPPWJIGSPWLOAK-RRFJBIMHSA-N 1 0 306.475 3.704 50 0 DHAARO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)o1 ZINC000092662002 563882757 /nfs/dbraw/zinc/88/27/57/563882757.db2.gz SNPFBPXJLNNIRB-JLSDUUJJSA-N 1 0 319.445 3.563 50 0 DHAARO CSc1nnc(CN(C2CC2)[C@H]2CCc3ccccc32)s1 ZINC000089496663 563887975 /nfs/dbraw/zinc/88/79/75/563887975.db2.gz IBLSBRWYZOBDBE-AWEZNQCLSA-N 1 0 317.483 3.912 50 0 DHAARO c1cn(Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)cn1 ZINC000192653469 563890373 /nfs/dbraw/zinc/89/03/73/563890373.db2.gz WEHHZJRAVVVQHM-SFHVURJKSA-N 1 0 307.397 3.692 50 0 DHAARO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000036056060 563892118 /nfs/dbraw/zinc/89/21/18/563892118.db2.gz HHWGKKRJFHZDRY-JKIFEVAISA-N 1 0 304.434 3.581 50 0 DHAARO Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)cc1 ZINC000036101786 563893383 /nfs/dbraw/zinc/89/33/83/563893383.db2.gz ZHLRGPHOCYVPSB-LJQANCHMSA-N 1 0 313.441 3.645 50 0 DHAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@@H](O)Cc1ccccc1 ZINC000036099213 563893733 /nfs/dbraw/zinc/89/37/33/563893733.db2.gz CFPMQMHGTVRPME-SFHVURJKSA-N 1 0 303.471 3.810 50 0 DHAARO C[C@@H](NC(=O)C1=CC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000064817932 563894479 /nfs/dbraw/zinc/89/44/79/563894479.db2.gz NMJTZMLKEJUVRV-QGZVFWFLSA-N 1 0 320.436 3.696 50 0 DHAARO Cc1cc(C)cc(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000036847517 563904689 /nfs/dbraw/zinc/90/46/89/563904689.db2.gz SCSLOYNFQURBCX-JKSUJKDBSA-N 1 0 319.518 3.853 50 0 DHAARO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000007375784 563905332 /nfs/dbraw/zinc/90/53/32/563905332.db2.gz PUPNJSSNPJOWRE-QWHCGFSZSA-N 1 0 302.443 3.988 50 0 DHAARO CCC[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000170591958 563906764 /nfs/dbraw/zinc/90/67/64/563906764.db2.gz RELZNSWVOJXZNC-INIZCTEOSA-N 1 0 310.432 3.889 50 0 DHAARO COCC[C@H]1CCCC[N@H+](CCCOc2ccccc2C)C1 ZINC000170597099 563906913 /nfs/dbraw/zinc/90/69/13/563906913.db2.gz KIUQRTOHXBMCGH-GOSISDBHSA-N 1 0 305.462 3.903 50 0 DHAARO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccnc2)c(Cl)c1 ZINC000089669702 563910915 /nfs/dbraw/zinc/91/09/15/563910915.db2.gz JJJAVRJQNBIIMB-ZDUSSCGKSA-N 1 0 317.820 3.723 50 0 DHAARO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089744415 563911103 /nfs/dbraw/zinc/91/11/03/563911103.db2.gz IUALHNZZYBGOIL-MNOVXSKESA-N 1 0 315.244 3.512 50 0 DHAARO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1C ZINC000076057663 563912113 /nfs/dbraw/zinc/91/21/13/563912113.db2.gz XBYCEBRGVQNPMY-MJGOQNOKSA-N 1 0 316.489 3.594 50 0 DHAARO NC(=[NH2+])SCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000007715634 563918091 /nfs/dbraw/zinc/91/80/91/563918091.db2.gz MDPYFDLAPHLMHN-HNNXBMFYSA-N 1 0 318.373 3.560 50 0 DHAARO [NH3+][C@@H](CC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195544192 563919694 /nfs/dbraw/zinc/91/96/94/563919694.db2.gz WTHPQIOYMMPMPY-ZWKOTPCHSA-N 1 0 312.388 3.579 50 0 DHAARO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000195575843 563919752 /nfs/dbraw/zinc/91/97/52/563919752.db2.gz SYQIZYSEWALVKY-APWZRJJASA-N 1 0 307.478 3.639 50 0 DHAARO COc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nc[nH]n3)c2)cc1C ZINC000195558157 563919759 /nfs/dbraw/zinc/91/97/59/563919759.db2.gz MIHPPDXVDXIBCM-AWEZNQCLSA-N 1 0 322.412 3.640 50 0 DHAARO Fc1cccc(COc2ccc(C[NH2+]C[C@@H]3CCCO3)cc2)c1 ZINC000139286717 563924317 /nfs/dbraw/zinc/92/43/17/563924317.db2.gz OVCYRHBRFZBOLV-IBGZPJMESA-N 1 0 315.388 3.673 50 0 DHAARO C[NH+](C)CCOc1ccc(NC(=O)c2sccc2Cl)cc1 ZINC000253417868 563925214 /nfs/dbraw/zinc/92/52/14/563925214.db2.gz PVGTTYKYHNTYAZ-UHFFFAOYSA-N 1 0 324.833 3.594 50 0 DHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC2CCC(=O)CC2)c(OC)c1 ZINC000253427823 563925321 /nfs/dbraw/zinc/92/53/21/563925321.db2.gz HAOQESUIAYUSIO-SFHVURJKSA-N 1 0 317.429 3.600 50 0 DHAARO CC[C@@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)c1ccncc1 ZINC000584899996 563925535 /nfs/dbraw/zinc/92/55/35/563925535.db2.gz WNZCKQUZDUYYON-LJQANCHMSA-N 1 0 313.420 3.930 50 0 DHAARO CC(C)C[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000094696947 563928336 /nfs/dbraw/zinc/92/83/36/563928336.db2.gz GRANSQCOQUDLNC-MNOVXSKESA-N 1 0 317.260 3.792 50 0 DHAARO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@@H](O)c1ccccc1 ZINC000020312707 563930862 /nfs/dbraw/zinc/93/08/62/563930862.db2.gz HTMPOPZDCKLWDK-MLGOLLRUSA-N 1 0 309.331 3.917 50 0 DHAARO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000095459058 563931633 /nfs/dbraw/zinc/93/16/33/563931633.db2.gz ULAXSTQSVWGPCE-LIRRHRJNSA-N 1 0 315.413 3.570 50 0 DHAARO CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000007964204 563931736 /nfs/dbraw/zinc/93/17/36/563931736.db2.gz VAWACGMVEIQFLK-UHFFFAOYSA-N 1 0 324.424 3.693 50 0 DHAARO CC1(C)C[C@@H]([NH2+]C2CCN(C3CC3)CC2)c2ccccc2O1 ZINC000095967057 563932885 /nfs/dbraw/zinc/93/28/85/563932885.db2.gz UBBBNDQTVXGESI-QGZVFWFLSA-N 1 0 300.446 3.505 50 0 DHAARO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cnc2ccsc2c1 ZINC000095968310 563933270 /nfs/dbraw/zinc/93/32/70/563933270.db2.gz LUBMEQVMYMOYGR-BDJLRTHQSA-N 1 0 318.467 3.916 50 0 DHAARO Brc1cccc(C2([NH2+]CC3=CCCOC3)CCC2)c1 ZINC000095971803 563933450 /nfs/dbraw/zinc/93/34/50/563933450.db2.gz LJPXXMKOKRLNGO-UHFFFAOYSA-N 1 0 322.246 3.765 50 0 DHAARO Cc1csc(CNc2ccc(SCC[NH+](C)C)cc2)n1 ZINC000095971953 563933562 /nfs/dbraw/zinc/93/35/62/563933562.db2.gz ZIWFOZQWBUEFTH-UHFFFAOYSA-N 1 0 307.488 3.717 50 0 DHAARO C[NH+](C)C[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000096007674 563934834 /nfs/dbraw/zinc/93/48/34/563934834.db2.gz BKXPATMRYSICGM-QGZVFWFLSA-N 1 0 323.440 3.828 50 0 DHAARO COC[C@](C)([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000096013792 563934859 /nfs/dbraw/zinc/93/48/59/563934859.db2.gz PWCVXWKETFGQHO-FQEVSTJZSA-N 1 0 321.424 3.524 50 0 DHAARO C[C@H]([NH2+]CCCO)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000096014121 563934936 /nfs/dbraw/zinc/93/49/36/563934936.db2.gz DSWGQZXWQWRYCO-VIFPVBQESA-N 1 0 314.813 3.636 50 0 DHAARO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCC(C)(C)C3)CC2)cs1 ZINC000096011757 563934944 /nfs/dbraw/zinc/93/49/44/563934944.db2.gz LCKFSJYHMCEKCW-MRXNPFEDSA-N 1 0 321.534 3.832 50 0 DHAARO CC[C@@H](C(=O)OCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC000096028098 563935308 /nfs/dbraw/zinc/93/53/08/563935308.db2.gz POVOIKOTBBNISZ-LJQANCHMSA-N 1 0 311.425 3.952 50 0 DHAARO C[NH+]1CCC(OC(=O)[C@H](c2cccs2)[C@H]2C=CCCC2)CC1 ZINC000096028036 563935362 /nfs/dbraw/zinc/93/53/62/563935362.db2.gz TUYPAMBSJBATIZ-YOEHRIQHSA-N 1 0 319.470 3.825 50 0 DHAARO CCc1ccsc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000096479219 563937381 /nfs/dbraw/zinc/93/73/81/563937381.db2.gz XXFCVBOWKNWSQX-FKIZINRSSA-N 1 0 307.484 3.899 50 0 DHAARO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc(C)c1 ZINC000002618344 563939591 /nfs/dbraw/zinc/93/95/91/563939591.db2.gz ZUNCWOBGBSXZNJ-IBGZPJMESA-N 1 0 313.441 3.647 50 0 DHAARO O=C(C[NH+]1CCCCCC1)NC(c1ccccc1)c1ccccc1 ZINC000002616621 563939599 /nfs/dbraw/zinc/93/95/99/563939599.db2.gz YXMIIEYJAFFIPM-UHFFFAOYSA-N 1 0 322.452 3.768 50 0 DHAARO CC[C@@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cccc(C)n1 ZINC000670434632 563943356 /nfs/dbraw/zinc/94/33/56/563943356.db2.gz BCICNQWGVJVRLI-GOSISDBHSA-N 1 0 313.445 3.688 50 0 DHAARO C[N@H+](CCC1(O)CCCC1)Cc1ccc2cccc(F)c2n1 ZINC000670471435 563948486 /nfs/dbraw/zinc/94/84/86/563948486.db2.gz XKUITLDQFRRLEV-UHFFFAOYSA-N 1 0 302.393 3.501 50 0 DHAARO CC(C)(C)NC(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863009 563950893 /nfs/dbraw/zinc/95/08/93/563950893.db2.gz MKYODJSQWCBENN-HNNXBMFYSA-N 1 0 323.506 3.763 50 0 DHAARO Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000245225091 563952208 /nfs/dbraw/zinc/95/22/08/563952208.db2.gz MMNODLYVTWRJBH-IAGOWNOFSA-N 1 0 317.477 3.996 50 0 DHAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)s1)[C@H](C)n1cccn1 ZINC000069418068 563952834 /nfs/dbraw/zinc/95/28/34/563952834.db2.gz ZLZVEJZFASRVEB-KBPBESRZSA-N 1 0 312.442 3.746 50 0 DHAARO c1csc([C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C2CCCC2)c1 ZINC000069453546 563952953 /nfs/dbraw/zinc/95/29/53/563952953.db2.gz QFUSBZWHHUKGIT-SUMWQHHRSA-N 1 0 316.474 3.507 50 0 DHAARO Cc1csc(C2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000069583669 563953688 /nfs/dbraw/zinc/95/36/88/563953688.db2.gz SQFKTPXGPJYTTH-UHFFFAOYSA-N 1 0 322.396 3.600 50 0 DHAARO Cc1cc(NCc2ccc(-n3ccnc3)nc2)c2ccccc2[nH+]1 ZINC000078548594 563961132 /nfs/dbraw/zinc/96/11/32/563961132.db2.gz OSDCPPLYZHNCMC-UHFFFAOYSA-N 1 0 315.380 3.736 50 0 DHAARO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cccc3cccnc32)C1 ZINC000411920381 563961946 /nfs/dbraw/zinc/96/19/46/563961946.db2.gz CELAEBXJLGSYET-OALUTQOASA-N 1 0 304.393 3.543 50 0 DHAARO Cc1ccc(/C=C/C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000013629303 568412554 /nfs/dbraw/zinc/41/25/54/568412554.db2.gz OCGDZMUHYNKOHL-ZGKFYVQTSA-N 1 0 324.424 3.555 50 0 DHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCc1ccccc1 ZINC000025685785 568412789 /nfs/dbraw/zinc/41/27/89/568412789.db2.gz XPLRWWGTBIJXQL-UHFFFAOYSA-N 1 0 323.415 3.961 50 0 DHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCc3ccccc32)o1 ZINC000053476524 568418241 /nfs/dbraw/zinc/41/82/41/568418241.db2.gz FLLLRUXCUUSFJU-KRWDZBQOSA-N 1 0 312.413 3.539 50 0 DHAARO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccc2ccccc2c1 ZINC000007446885 568419590 /nfs/dbraw/zinc/41/95/90/568419590.db2.gz DDVDJWNVLHISBM-MRXNPFEDSA-N 1 0 310.441 3.749 50 0 DHAARO O=C(CC[N@H+](Cc1ccco1)C1CC1)Nc1ccccc1Cl ZINC000037176486 568419656 /nfs/dbraw/zinc/41/96/56/568419656.db2.gz LYKOQBZCXSKJDW-UHFFFAOYSA-N 1 0 318.804 3.926 50 0 DHAARO O=C(C[N@@H+]1CCC[C@H]1C1CCCCC1)Nc1ccc(Cl)cn1 ZINC000071812726 568419928 /nfs/dbraw/zinc/41/99/28/568419928.db2.gz ZDKBBAHFDXOFBD-HNNXBMFYSA-N 1 0 321.852 3.718 50 0 DHAARO Cc1ccsc1C[NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC000089623612 568420255 /nfs/dbraw/zinc/42/02/55/568420255.db2.gz NLGFYQFYNMKFQN-INIZCTEOSA-N 1 0 317.454 3.822 50 0 DHAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000072298496 1013596510 /nfs/dbraw/zinc/59/65/10/1013596510.db2.gz WANCGBNQFXOJNV-OAHLLOKOSA-N 1 0 319.836 3.732 50 0 DHAARO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CCCCC23CCCC3)CCO1 ZINC000340378358 1013880863 /nfs/dbraw/zinc/88/08/63/1013880863.db2.gz SAIRNAOXYVMUPF-NJAFHUGGSA-N 1 0 317.477 3.733 50 0 DHAARO Cc1cccc2c(N3CC[C@H](OCc4ccncc4)C3)cc[nH+]c12 ZINC000192897807 1032514159 /nfs/dbraw/zinc/51/41/59/1032514159.db2.gz WPNJYVPNZXEFBK-KRWDZBQOSA-N 1 0 319.408 3.734 50 0 DHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)C2CC=CC2)cc1 ZINC000952861851 1032665608 /nfs/dbraw/zinc/66/56/08/1032665608.db2.gz LICZFNMNMPAGMQ-IBGZPJMESA-N 1 0 312.457 3.768 50 0 DHAARO FC(F)Oc1ccc(CN2CCCC[C@@H]2c2ncccn2)cc1 ZINC000952883212 1032671290 /nfs/dbraw/zinc/67/12/90/1032671290.db2.gz VEVJOWJSUOXAHP-OAHLLOKOSA-N 1 0 319.355 3.805 50 0 DHAARO CSC(C)(C)C[C@@H](C)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000952971017 1032675192 /nfs/dbraw/zinc/67/51/92/1032675192.db2.gz XKXAUNVCHXEJSF-OAHLLOKOSA-N 1 0 317.502 3.925 50 0 DHAARO CC[C@@H](c1ccccc1)[NH+]1CCC(CN=S(C)(C)=O)CC1 ZINC000952992661 1032679277 /nfs/dbraw/zinc/67/92/77/1032679277.db2.gz IQUZMNYYWBJRFY-KRWDZBQOSA-N 1 0 308.491 3.577 50 0 DHAARO Cc1ccccc1N1CCC([N@H+](C)CC[C@H]2CCCCO2)CC1 ZINC000952977336 1032679388 /nfs/dbraw/zinc/67/93/88/1032679388.db2.gz MKTMGBXINCYNCG-LJQANCHMSA-N 1 0 316.489 3.855 50 0 DHAARO CC(C)C[N@@H+]1CCCN(Cc2[nH]c3ccccc3c2Cl)CC1 ZINC000952976079 1032680008 /nfs/dbraw/zinc/68/00/08/1032680008.db2.gz PZPYEWFLGCCXID-UHFFFAOYSA-N 1 0 319.880 3.985 50 0 DHAARO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417332335 1017368258 /nfs/dbraw/zinc/36/82/58/1017368258.db2.gz XCUCJDPZSMCLOL-VNQPRFMTSA-N 1 0 324.453 3.611 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cl)c1cccc(F)c1 ZINC000012945120 1017839621 /nfs/dbraw/zinc/83/96/21/1017839621.db2.gz QCYOAANQKDRXAH-INIZCTEOSA-N 1 0 320.795 3.512 50 0 DHAARO CCOC[C@@H]1CCC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187040186 1018902366 /nfs/dbraw/zinc/90/23/66/1018902366.db2.gz SWLXMBYKEWEPLB-CYBMUJFWSA-N 1 0 320.458 3.553 50 0 DHAARO C/C=C\CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000606443349 1019543805 /nfs/dbraw/zinc/54/38/05/1019543805.db2.gz UCHKJMPOTZRYGG-WSNITJDQSA-N 1 0 308.853 3.633 50 0 DHAARO O=C1CC[C@@H]([NH2+]C2CCCCC2)CCN1CC1CCCCC1 ZINC000012039840 1019754576 /nfs/dbraw/zinc/75/45/76/1019754576.db2.gz UIPFNQKHECPKOW-GOSISDBHSA-N 1 0 306.494 3.870 50 0 DHAARO CC[C@@H](Cc1ccco1)[NH2+]CCC(=O)Nc1cccc(C)c1 ZINC000822620638 1020345498 /nfs/dbraw/zinc/34/54/98/1020345498.db2.gz CWCHPXFTIKXFHO-HNNXBMFYSA-N 1 0 300.402 3.528 50 0 DHAARO Cc1c(C(=O)Nc2ccccc2C[NH+]2CCCCC2)ccn1C ZINC000828187229 1020821031 /nfs/dbraw/zinc/82/10/31/1020821031.db2.gz BLXCFXAORSZOMA-UHFFFAOYSA-N 1 0 311.429 3.572 50 0 DHAARO c1n[nH]c2cc(NC3CC[NH+](CCc4ccccc4)CC3)ccc12 ZINC000023549776 1020923069 /nfs/dbraw/zinc/92/30/69/1020923069.db2.gz IMGQBKAXEPRUBW-UHFFFAOYSA-N 1 0 320.440 3.682 50 0 DHAARO COCCC[NH2+]CC[C@@H](CCC(C)C)c1ccc2c(c1)OCO2 ZINC000002230046 1021430404 /nfs/dbraw/zinc/43/04/04/1021430404.db2.gz HUNJLBDDZDWCKK-MRXNPFEDSA-N 1 0 321.461 3.951 50 0 DHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)C2CCCC2)CC1 ZINC000581787884 1021834380 /nfs/dbraw/zinc/83/43/80/1021834380.db2.gz GSKZRADFNDIKHD-SFHVURJKSA-N 1 0 306.494 3.680 50 0 DHAARO Fc1cccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000581798136 1021839824 /nfs/dbraw/zinc/83/98/24/1021839824.db2.gz GRBKYLJVXGNRMU-UYAOXDASSA-N 1 0 310.416 3.532 50 0 DHAARO COc1cccc(C[N@@H+]2CC[C@H](c3ncc(C)n3C(C)C)C2)c1 ZINC000581815654 1021850393 /nfs/dbraw/zinc/85/03/93/1021850393.db2.gz FGLMTFYWVWGOHP-KRWDZBQOSA-N 1 0 313.445 3.771 50 0 DHAARO CCOC(=O)c1ccoc1CN1CCC[C@@H]1c1ccsc1 ZINC000046088421 1023663380 /nfs/dbraw/zinc/66/33/80/1023663380.db2.gz JNMMWMJCBAUWMT-CQSZACIVSA-N 1 0 305.399 3.855 50 0 DHAARO COc1ccc(C[NH2+]CCOc2c(C)cccc2Cl)cc1F ZINC000200523669 1023716408 /nfs/dbraw/zinc/71/64/08/1023716408.db2.gz QZTZMFUBTOXECF-UHFFFAOYSA-N 1 0 323.795 3.965 50 0 DHAARO C[NH+]1CCN(C2=Nc3c4c2cccc4c(Cl)cc3Cl)CC1 ZINC000025336728 1024069160 /nfs/dbraw/zinc/06/91/60/1024069160.db2.gz YHQNNNRQZPECDU-UHFFFAOYSA-N 1 0 320.223 3.786 50 0 DHAARO CC(=O)c1cc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2)cs1 ZINC000214973692 1024519768 /nfs/dbraw/zinc/51/97/68/1024519768.db2.gz HFWPSHDPZQYLDY-INIZCTEOSA-N 1 0 317.458 3.592 50 0 DHAARO C[N@H+](Cc1cnc(-c2cccs2)nc1)C1CCSCC1 ZINC000215895756 1024527415 /nfs/dbraw/zinc/52/74/15/1024527415.db2.gz OGLHWZPSKGLCDB-UHFFFAOYSA-N 1 0 305.472 3.533 50 0 DHAARO C[C@H](/C=C\c1ccccn1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000888099272 1024703625 /nfs/dbraw/zinc/70/36/25/1024703625.db2.gz YLIWVEGOELKEQW-HNTBBJOVSA-N 1 0 311.429 3.503 50 0 DHAARO CC(=O)N(CCC[NH+](C)C)[C@H]1CCCC[C@@H]1C1=CCCCC1 ZINC000005378062 1025133877 /nfs/dbraw/zinc/13/38/77/1025133877.db2.gz LQSOSWGLYWPBCY-MOPGFXCFSA-N 1 0 306.494 3.846 50 0 DHAARO Cc1coc(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)c1C ZINC000585081932 1029622696 /nfs/dbraw/zinc/62/26/96/1029622696.db2.gz DDQZTXYYBCMUCA-UHFFFAOYSA-N 1 0 306.793 3.864 50 0 DHAARO CCOC1CC2(C1)CC[N@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000585084534 1029662168 /nfs/dbraw/zinc/66/21/68/1029662168.db2.gz PHOPQIWMWIVTEN-UHFFFAOYSA-N 1 0 315.457 3.791 50 0 DHAARO C[C@H](NCc1nc(Cl)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117202 1029776362 /nfs/dbraw/zinc/77/63/62/1029776362.db2.gz URNSCCQITJBQFG-NHYWBVRUSA-N 1 0 309.866 3.578 50 0 DHAARO CS(=O)(=O)c1ccc(C[NH2+]C2CCC(=C3CCC3)CC2)cc1 ZINC000585117513 1029787066 /nfs/dbraw/zinc/78/70/66/1029787066.db2.gz IWBQICJLAHUBOW-UHFFFAOYSA-N 1 0 319.470 3.603 50 0 DHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(F)cc1 ZINC000252394235 1036078930 /nfs/dbraw/zinc/07/89/30/1036078930.db2.gz AVCYXRKRGKMSCJ-IEBWSBKVSA-N 1 0 324.399 3.582 50 0 DHAARO Cc1cc(Br)ccc1OCC[NH2+]Cc1ccccc1 ZINC000002822164 1037221898 /nfs/dbraw/zinc/22/18/98/1037221898.db2.gz HYOYFRGAFYROPQ-UHFFFAOYSA-N 1 0 320.230 3.926 50 0 DHAARO CSCc1ccc(N2CCC[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000082166443 185174409 /nfs/dbraw/zinc/17/44/09/185174409.db2.gz YETLXLRZUZVWEV-QGZVFWFLSA-N 1 0 319.518 3.647 50 0 DHAARO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2F)cc1 ZINC000089977508 185273266 /nfs/dbraw/zinc/27/32/66/185273266.db2.gz QXNXDXFAKOJSDA-LBPRGKRZSA-N 1 0 318.367 3.565 50 0 DHAARO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1CC)c1ccccc1 ZINC000089948728 185270865 /nfs/dbraw/zinc/27/08/65/185270865.db2.gz VIWZZVRNMLIZDL-SNRMKQJTSA-N 1 0 314.473 3.764 50 0 DHAARO c1ccc(COc2cccc(C[NH2+]Cc3cccnc3)c2)cc1 ZINC000000359775 190613743 /nfs/dbraw/zinc/61/37/43/190613743.db2.gz CYKGWGXHRWAIFO-UHFFFAOYSA-N 1 0 304.393 3.950 50 0 DHAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000095405110 185355798 /nfs/dbraw/zinc/35/57/98/185355798.db2.gz AVBKAYDJQCFQQT-SFTDATJTSA-N 1 0 318.420 3.803 50 0 DHAARO C[C@H]1C[C@H]([NH2+]CCc2ccccc2F)CN1Cc1ccccc1 ZINC000095419364 185359707 /nfs/dbraw/zinc/35/97/07/185359707.db2.gz JAPHTMCASRQQGO-LPHOPBHVSA-N 1 0 312.432 3.621 50 0 DHAARO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cn1 ZINC000095420607 185360167 /nfs/dbraw/zinc/36/01/67/185360167.db2.gz GXBZOERRARGRIN-MRXNPFEDSA-N 1 0 324.453 3.804 50 0 DHAARO Cc1nc(CC[NH2+][C@@H](C)Cc2nc3ccccc3s2)cs1 ZINC000095419973 185360193 /nfs/dbraw/zinc/36/01/93/185360193.db2.gz LYOIPXMFFXROGK-NSHDSACASA-N 1 0 317.483 3.825 50 0 DHAARO O=c1ccccn1CCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000095421250 185360384 /nfs/dbraw/zinc/36/03/84/185360384.db2.gz NJPUHSKGPKFCBK-QGZVFWFLSA-N 1 0 316.832 3.559 50 0 DHAARO CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)cc1 ZINC000095421126 185360466 /nfs/dbraw/zinc/36/04/66/185360466.db2.gz GGMHKWVBXRNJLY-HNNXBMFYSA-N 1 0 322.412 3.517 50 0 DHAARO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2)cc1 ZINC000095421789 185360984 /nfs/dbraw/zinc/36/09/84/185360984.db2.gz FYGKRPKLDMYJHO-AWEZNQCLSA-N 1 0 314.404 3.547 50 0 DHAARO C[C@H](C[NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 ZINC000095443045 185367135 /nfs/dbraw/zinc/36/71/35/185367135.db2.gz PLXUJAKOKODMLM-QAPCUYQASA-N 1 0 316.420 3.949 50 0 DHAARO c1ccc(CCCN2CCC[N@@H+](C3CCCCC3)CC2)cc1 ZINC000095455304 185369703 /nfs/dbraw/zinc/36/97/03/185369703.db2.gz CKSAWDMDVLONGB-UHFFFAOYSA-N 1 0 300.490 3.960 50 0 DHAARO OCc1cccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000095440068 185365974 /nfs/dbraw/zinc/36/59/74/185365974.db2.gz JAZOZLBWSZTAKW-UHFFFAOYSA-N 1 0 313.294 3.627 50 0 DHAARO CC(C)(C[NH2+]Cc1ccccc1Cn1cccn1)c1ccccc1 ZINC000095460047 185370811 /nfs/dbraw/zinc/37/08/11/185370811.db2.gz QQRNHODJTPGPKZ-UHFFFAOYSA-N 1 0 319.452 3.999 50 0 DHAARO FC(F)(F)Cn1cc(C[NH2+][C@@H]2CCCc3sccc32)cn1 ZINC000097017348 185397578 /nfs/dbraw/zinc/39/75/78/185397578.db2.gz QANIMZLGTIMFKY-GFCCVEGCSA-N 1 0 315.364 3.674 50 0 DHAARO CC(C)=C[C@@H]1[C@@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000048311017 190676659 /nfs/dbraw/zinc/67/66/59/190676659.db2.gz XOJFICJMISYQQV-CABCVRRESA-N 1 0 306.494 3.650 50 0 DHAARO C[C@H](C[NH+]1CCCCC1)OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000080346550 192150349 /nfs/dbraw/zinc/15/03/49/192150349.db2.gz XSTILHRJJFUTQB-DGTBMVLOSA-N 1 0 305.462 3.620 50 0 DHAARO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000071767065 191028696 /nfs/dbraw/zinc/02/86/96/191028696.db2.gz FFEVEWPSMCPLDX-WOJBJXKFSA-N 1 0 309.409 3.912 50 0 DHAARO Fc1ccc(OC[C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000072130628 191044230 /nfs/dbraw/zinc/04/42/30/191044230.db2.gz BNAKXXUJFYRMES-INIZCTEOSA-N 1 0 300.377 3.512 50 0 DHAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@H]1c1ccccn1)=C2 ZINC000072134474 191046362 /nfs/dbraw/zinc/04/63/62/191046362.db2.gz NRBRHKRFISODNB-SFHVURJKSA-N 1 0 322.408 3.703 50 0 DHAARO CC(C)n1ccnc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000072171435 191069140 /nfs/dbraw/zinc/06/91/40/191069140.db2.gz ABDDMIPHCWBUNY-QGZVFWFLSA-N 1 0 313.445 3.911 50 0 DHAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc([C@H]2CCCCO2)o1 ZINC000072412457 191155667 /nfs/dbraw/zinc/15/56/67/191155667.db2.gz YFHMBOIGOQTBEA-OAHLLOKOSA-N 1 0 320.458 3.961 50 0 DHAARO Cc1cncc(-n2ccnc2-c2ccc([C@@H](C)[NH+](C)C)cc2)c1 ZINC000072427117 191160787 /nfs/dbraw/zinc/16/07/87/191160787.db2.gz ALRNXVJNFPCSOL-OAHLLOKOSA-N 1 0 306.413 3.865 50 0 DHAARO CSCC1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072433749 191163890 /nfs/dbraw/zinc/16/38/90/191163890.db2.gz REQXIBCHJIOKGH-UHFFFAOYSA-N 1 0 321.530 3.965 50 0 DHAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cn(C)nc1-c1ccccc1F ZINC000072431777 191164066 /nfs/dbraw/zinc/16/40/66/191164066.db2.gz SVFZCDMUSKLBEL-AWEZNQCLSA-N 1 0 324.403 3.814 50 0 DHAARO Cc1cccc2c(C[N@H+]3CCC[C@@]4(CN(C)C(=O)O4)C3)cccc12 ZINC000072475736 191176545 /nfs/dbraw/zinc/17/65/45/191176545.db2.gz RBDFUHKWHVPZBQ-HXUWFJFHSA-N 1 0 324.424 3.565 50 0 DHAARO Cc1cc(C)[n+]2cc(-c3ccc(Br)cc3)sc2n1 ZINC000000391779 180775534 /nfs/dbraw/zinc/77/55/34/180775534.db2.gz CUDGTXGWKOOCFZ-UHFFFAOYSA-N 1 0 320.235 3.928 50 0 DHAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCCC1 ZINC000002013849 180905204 /nfs/dbraw/zinc/90/52/04/180905204.db2.gz ZMFLEPVMDAVMIG-INIZCTEOSA-N 1 0 308.425 3.641 50 0 DHAARO C[N@H+](CC(=O)c1ccccc1Br)C1CCCCC1 ZINC000003294993 181001524 /nfs/dbraw/zinc/00/15/24/181001524.db2.gz FYPBPBYWNCOALV-UHFFFAOYSA-N 1 0 310.235 3.896 50 0 DHAARO CCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000003434371 181019016 /nfs/dbraw/zinc/01/90/16/181019016.db2.gz VHMWXAMSFWEUEL-GJZGRUSLSA-N 1 0 323.477 3.511 50 0 DHAARO CCCC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000004028615 181064188 /nfs/dbraw/zinc/06/41/88/181064188.db2.gz BVBAULRKXUPBJA-MPZAXGONSA-N 1 0 305.462 3.690 50 0 biogenic DHAARO O[C@]12CCCC[C@H]1[C@H](c1ccc(Cl)cc1Cl)[NH2+]CC2 ZINC000004029525 181064497 /nfs/dbraw/zinc/06/44/97/181064497.db2.gz INWMRQARFUAODH-QEJZJMRPSA-N 1 0 300.229 3.949 50 0 biogenic DHAARO Cc1cc(C)c2cc(C[NH2+]Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000004132774 181077456 /nfs/dbraw/zinc/07/74/56/181077456.db2.gz QSIQLRYPUWDAAY-UHFFFAOYSA-N 1 0 310.372 3.574 50 0 DHAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004133697 181077571 /nfs/dbraw/zinc/07/75/71/181077571.db2.gz RVWFFGFGNAMNDI-RHSMWYFYSA-N 1 0 320.864 3.677 50 0 DHAARO Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCCC2)c1C ZINC000004276331 181091413 /nfs/dbraw/zinc/09/14/13/181091413.db2.gz OSYNHLITICLANY-UHFFFAOYSA-N 1 0 304.415 3.806 50 0 DHAARO C[NH+](C)CCCNC(=O)N1c2ccccc2C=Cc2ccccc21 ZINC000004426905 181108904 /nfs/dbraw/zinc/10/89/04/181108904.db2.gz SORSMGLEZNKSED-UHFFFAOYSA-N 1 0 321.424 3.970 50 0 biogenic DHAARO O=C(OCC[NH+]1CCCCC1)c1ccc(Cl)cc1Cl ZINC000004692414 181137886 /nfs/dbraw/zinc/13/78/86/181137886.db2.gz ZETYXPLBAIGRQV-UHFFFAOYSA-N 1 0 302.201 3.636 50 0 DHAARO c1ccc(CCCN2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000004703444 181139909 /nfs/dbraw/zinc/13/99/09/181139909.db2.gz VPJARABEBUHTDW-UHFFFAOYSA-N 1 0 300.490 3.960 50 0 DHAARO Cc1ccccc1CN1CCC([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000004745695 181146891 /nfs/dbraw/zinc/14/68/91/181146891.db2.gz DJMARARVQRPHAU-IRXDYDNUSA-N 1 0 300.490 3.937 50 0 DHAARO C[C@@H]1C(c2ccc(Cl)cc2)[N+](=O)[C@@](C)(c2ccccc2)N1O ZINC000004819962 181156554 /nfs/dbraw/zinc/15/65/54/181156554.db2.gz FLUZNXLMFXJQIA-PXAZEXFGSA-N 1 0 316.788 3.606 50 0 DHAARO CCOc1ccc2ccccc2c1/C=C1/[C@H](O)C2CC[NH+]1CC2 ZINC000004833083 181158547 /nfs/dbraw/zinc/15/85/47/181158547.db2.gz XMHHNSHTAVYEQV-MTGKDYNDSA-N 1 0 309.409 3.666 50 0 DHAARO CCOc1cc(C=O)ccc1OCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000004841021 181160572 /nfs/dbraw/zinc/16/05/72/181160572.db2.gz HXARIUNNYOFFKL-MRXNPFEDSA-N 1 0 319.445 3.789 50 0 DHAARO COc1cccc(C=O)c1OCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004842392 181161161 /nfs/dbraw/zinc/16/11/61/181161161.db2.gz AKJFEVXBGULWHZ-HZPDHXFCSA-N 1 0 319.445 3.645 50 0 DHAARO O=C(Cc1ccccc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004993630 181186792 /nfs/dbraw/zinc/18/67/92/181186792.db2.gz UBIKSGKNWKJABS-UHFFFAOYSA-N 1 0 308.425 3.854 50 0 DHAARO CC(C)[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000005046273 181196319 /nfs/dbraw/zinc/19/63/19/181196319.db2.gz ISUZMVIZAFVDGK-UHFFFAOYSA-N 1 0 308.425 3.520 50 0 DHAARO Cc1ccc(SCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000005047606 181196507 /nfs/dbraw/zinc/19/65/07/181196507.db2.gz OHVJEMUIVAFBTE-UHFFFAOYSA-N 1 0 320.502 3.513 50 0 DHAARO Cc1nc(NC(=O)c2ccccc2)sc1C[NH+]1CCCCC1 ZINC000006187126 181318591 /nfs/dbraw/zinc/31/85/91/181318591.db2.gz PSRDLOLVJOQYHG-UHFFFAOYSA-N 1 0 315.442 3.690 50 0 DHAARO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)CCc1ccccc1 ZINC000006653268 181366053 /nfs/dbraw/zinc/36/60/53/181366053.db2.gz LOZNUBMYQGYUNT-QGZVFWFLSA-N 1 0 310.441 3.853 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000006725665 181377213 /nfs/dbraw/zinc/37/72/13/181377213.db2.gz KFQRDWWPWCOGNM-VXGBXAGGSA-N 1 0 314.351 3.622 50 0 DHAARO CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000006725332 181377487 /nfs/dbraw/zinc/37/74/87/181377487.db2.gz CBJGODWINMLLOY-UHFFFAOYSA-N 1 0 316.232 3.599 50 0 DHAARO Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000091635882 193082251 /nfs/dbraw/zinc/08/22/51/193082251.db2.gz XIPNWWNOAFCBRB-QGZVFWFLSA-N 1 0 318.436 3.615 50 0 DHAARO Cc1c2cc(C)ccc2[nH]c1C[N@@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000091769590 193103648 /nfs/dbraw/zinc/10/36/48/193103648.db2.gz TXYYIFMDRVPABF-IBGZPJMESA-N 1 0 300.446 3.768 50 0 DHAARO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000221937223 201596991 /nfs/dbraw/zinc/59/69/91/201596991.db2.gz SNCPXSYICPIVIM-IAOVAPTHSA-N 1 0 306.425 3.547 50 0 DHAARO Clc1ccccc1Cn1cc[n+](COC2CCCCC2)c1 ZINC000261493044 203073862 /nfs/dbraw/zinc/07/38/62/203073862.db2.gz YXCXAWQXPHULAC-UHFFFAOYSA-N 1 0 305.829 3.784 50 0 DHAARO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000007141008 181441710 /nfs/dbraw/zinc/44/17/10/181441710.db2.gz QLYHNZAWWXYRRP-LMMKCTJWSA-N 1 0 316.489 3.838 50 0 DHAARO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000093737860 193297783 /nfs/dbraw/zinc/29/77/83/193297783.db2.gz WRQZBIYTGHVIJU-JKSUJKDBSA-N 1 0 303.446 3.601 50 0 DHAARO CC[N@H+](C)C[C@@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000093770129 193303765 /nfs/dbraw/zinc/30/37/65/193303765.db2.gz KBMKXLFWABCUFM-AWEZNQCLSA-N 1 0 307.507 3.574 50 0 DHAARO Cc1cccc(-c2n[nH]cc2C[N@H+](C)CCc2nccs2)c1 ZINC000093843905 193317737 /nfs/dbraw/zinc/31/77/37/193317737.db2.gz JRHQRHMHHIMLFU-UHFFFAOYSA-N 1 0 312.442 3.516 50 0 DHAARO C[C@@H](c1cccc(Br)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094432240 193370178 /nfs/dbraw/zinc/37/01/78/193370178.db2.gz XUBABOMOGAUIIY-XJKSGUPXSA-N 1 0 323.278 3.680 50 0 DHAARO Cn1cccc1C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000095960669 193460179 /nfs/dbraw/zinc/46/01/79/193460179.db2.gz JKJTYSSVRJTZEB-UHFFFAOYSA-N 1 0 319.246 3.609 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+](C(C)C)C(C)C ZINC000011027329 181683626 /nfs/dbraw/zinc/68/36/26/181683626.db2.gz FVWVHROWEIKEIH-HCXYKTFWSA-N 1 0 313.526 3.944 50 0 DHAARO CSc1ccccc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013668313 181875682 /nfs/dbraw/zinc/87/56/82/181875682.db2.gz DRHNEZLSSKRTHV-HUUCEWRRSA-N 1 0 320.502 3.506 50 0 DHAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000014167272 181931988 /nfs/dbraw/zinc/93/19/88/181931988.db2.gz QOUQHDBFYMKHOD-UHFFFAOYSA-N 1 0 314.454 3.582 50 0 DHAARO Cc1c(Cl)ccc(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000016247109 182038317 /nfs/dbraw/zinc/03/83/17/182038317.db2.gz YHGJQJCCMSIEOH-BETUJISGSA-N 1 0 311.853 3.835 50 0 DHAARO Cc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)cc1 ZINC000016739316 182059437 /nfs/dbraw/zinc/05/94/37/182059437.db2.gz LWIPPCWZUCNHCH-OAQYLSRUSA-N 1 0 321.444 3.645 50 0 DHAARO C[NH+](C)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000017112783 182075973 /nfs/dbraw/zinc/07/59/73/182075973.db2.gz KAGQPWOYOQZXGZ-INIZCTEOSA-N 1 0 307.478 3.702 50 0 DHAARO CC1CC[NH+](CCCNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000017742552 182085621 /nfs/dbraw/zinc/08/56/21/182085621.db2.gz NXJKTDDZHHUUMQ-UHFFFAOYSA-N 1 0 309.841 3.584 50 0 DHAARO c1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)nc1 ZINC000019364158 182119012 /nfs/dbraw/zinc/11/90/12/182119012.db2.gz JLESOVZRBCTUGW-UHFFFAOYSA-N 1 0 317.436 3.553 50 0 DHAARO CSc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019363964 182119037 /nfs/dbraw/zinc/11/90/37/182119037.db2.gz IXGVAWRSYYYDKR-UHFFFAOYSA-N 1 0 304.503 3.859 50 0 DHAARO FC(F)(F)c1ccccc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000019720459 182138502 /nfs/dbraw/zinc/13/85/02/182138502.db2.gz XAOSXQKIDRPFJE-UHFFFAOYSA-N 1 0 323.314 3.766 50 0 DHAARO C[N@H+](CCc1ccccn1)Cc1cccc(Br)c1 ZINC000019607066 182133317 /nfs/dbraw/zinc/13/33/17/182133317.db2.gz MQHGIIIDPSFOPG-UHFFFAOYSA-N 1 0 305.219 3.519 50 0 DHAARO CC1=C(C)[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)N(CCC(C)C)C1=O ZINC000020131064 182190185 /nfs/dbraw/zinc/19/01/85/182190185.db2.gz QTRVLQKYYQBXGS-LTCOOKNTSA-N 1 0 306.494 3.952 50 0 DHAARO C[C@@H]1C[NH+](CCCOc2cc(Cl)ccc2Cl)C[C@@H](C)O1 ZINC000020167146 182193981 /nfs/dbraw/zinc/19/39/81/182193981.db2.gz LIKHRWUHHPZKIE-VXGBXAGGSA-N 1 0 318.244 3.872 50 0 DHAARO CCOc1cc2c(cc1OC)[C@H](c1ccc(F)c(F)c1)[NH2+]CC2 ZINC000020506892 182226022 /nfs/dbraw/zinc/22/60/22/182226022.db2.gz UDCZEDUWHLWAPI-SFHVURJKSA-N 1 0 319.351 3.607 50 0 biogenic DHAARO CCC(=O)c1ccccc1OCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020653380 182241904 /nfs/dbraw/zinc/24/19/04/182241904.db2.gz DUQKKLVIXMWGNZ-HZPDHXFCSA-N 1 0 319.445 3.548 50 0 DHAARO CC[NH+]1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000020608755 182237591 /nfs/dbraw/zinc/23/75/91/182237591.db2.gz VZTKVXOWYGJJFY-UHFFFAOYSA-N 1 0 320.502 3.621 50 0 DHAARO c1[nH]c(-c2ccccc2)nc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000020999708 182258764 /nfs/dbraw/zinc/25/87/64/182258764.db2.gz XYJRUHLFUOFJKW-UHFFFAOYSA-N 1 0 324.472 3.527 50 0 DHAARO O=C(c1ccc(F)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170392 182268188 /nfs/dbraw/zinc/26/81/88/182268188.db2.gz ZDRSEWISQOMKLL-GOSISDBHSA-N 1 0 318.436 3.696 50 0 DHAARO C[C@@H](c1ccc(-c2ccc(N(C)C)nn2)cc1)[NH+]1CCCCC1 ZINC000097776090 193757198 /nfs/dbraw/zinc/75/71/98/193757198.db2.gz PVVNGBCZMPPCGI-HNNXBMFYSA-N 1 0 310.445 3.757 50 0 DHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1sccc1C ZINC000021639429 182282116 /nfs/dbraw/zinc/28/21/16/182282116.db2.gz BYJWLYOASYOHSB-UHFFFAOYSA-N 1 0 316.470 3.828 50 0 DHAARO CCN(CC[NH+](C)C)Cc1cccc(OCc2ccccc2)c1 ZINC000022044982 182306347 /nfs/dbraw/zinc/30/63/47/182306347.db2.gz CLAIDKJLZYGEHQ-UHFFFAOYSA-N 1 0 312.457 3.649 50 0 DHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccs1 ZINC000022414067 182320933 /nfs/dbraw/zinc/32/09/33/182320933.db2.gz YFLGNHDCAWHOST-UHFFFAOYSA-N 1 0 306.475 3.667 50 0 DHAARO Cc1ccc(N(C[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000022216153 182313780 /nfs/dbraw/zinc/31/37/80/182313780.db2.gz GXZBMQKUWBEVGB-NRFANRHFSA-N 1 0 324.468 3.980 50 0 DHAARO CC(C)[NH+]1CCC(CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000023127909 182349082 /nfs/dbraw/zinc/34/90/82/182349082.db2.gz NHABSOROWPPMOK-UHFFFAOYSA-N 1 0 324.468 3.619 50 0 DHAARO CC(C)CN1CC[N@@H+](C2CC(C)(C)CC(C)(C)C2)C[C@@H]1CCO ZINC000023373928 182358346 /nfs/dbraw/zinc/35/83/46/182358346.db2.gz QPXVVAMOSZUEPM-KRWDZBQOSA-N 1 0 324.553 3.616 50 0 DHAARO O[C@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029827580 182578551 /nfs/dbraw/zinc/57/85/51/182578551.db2.gz SIQVXMWPENGURW-SJLPKXTDSA-N 1 0 322.408 3.741 50 0 DHAARO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000040002639 183027728 /nfs/dbraw/zinc/02/77/28/183027728.db2.gz PTLLDARMZVXRNV-HNNXBMFYSA-N 1 0 316.470 3.502 50 0 DHAARO c1ccc(COC2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000040018032 183028099 /nfs/dbraw/zinc/02/80/99/183028099.db2.gz SUXVQUJCZPHGFY-UHFFFAOYSA-N 1 0 311.425 3.747 50 0 DHAARO CC(C)[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000040020148 183028126 /nfs/dbraw/zinc/02/81/26/183028126.db2.gz OZRVVVJFFFLTPJ-RDTXWAMCSA-N 1 0 306.425 3.513 50 0 DHAARO CC1CC[NH+](Cc2ccc(CNC(=O)C(C)(C)C)cc2)CC1 ZINC000040060380 183030868 /nfs/dbraw/zinc/03/08/68/183030868.db2.gz NTPJEVLHIQCVGV-UHFFFAOYSA-N 1 0 302.462 3.581 50 0 DHAARO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039772192 183021837 /nfs/dbraw/zinc/02/18/37/183021837.db2.gz GJFMBUUKNHBDOX-UHFFFAOYSA-N 1 0 324.424 3.546 50 0 DHAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000042229418 183245028 /nfs/dbraw/zinc/24/50/28/183245028.db2.gz WZVMSSLVZWQECD-AWEZNQCLSA-N 1 0 309.335 3.606 50 0 DHAARO Brc1cc(-c2ccccc2)ccc1O[C@H]1CC[NH2+]C1 ZINC000042774759 183308030 /nfs/dbraw/zinc/30/80/30/183308030.db2.gz CLDWEXYLGINHEU-AWEZNQCLSA-N 1 0 318.214 3.857 50 0 DHAARO O[C@H](C[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000106757511 194249984 /nfs/dbraw/zinc/24/99/84/194249984.db2.gz XXXVGSWKBKQDCE-MAUKXSAKSA-N 1 0 301.817 3.863 50 0 DHAARO CC(C)C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccn1 ZINC000110704184 194351232 /nfs/dbraw/zinc/35/12/32/194351232.db2.gz HRWWUTPLMCKERL-NJAFHUGGSA-N 1 0 320.502 3.813 50 0 DHAARO CCc1ccccc1C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055414112 183986743 /nfs/dbraw/zinc/98/67/43/183986743.db2.gz XXJWKBYVPYNENW-UHFFFAOYSA-N 1 0 310.445 3.555 50 0 DHAARO C[C@@H](Cc1ccsc1)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055393663 183984582 /nfs/dbraw/zinc/98/45/82/183984582.db2.gz DKIJXHCUXWFYTF-LBPRGKRZSA-N 1 0 315.417 3.998 50 0 DHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000057315424 184033100 /nfs/dbraw/zinc/03/31/00/184033100.db2.gz AAVNHHQXYQPJII-KRWDZBQOSA-N 1 0 317.820 3.660 50 0 DHAARO CCCC[N@H+](C)CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000057832543 184056126 /nfs/dbraw/zinc/05/61/26/184056126.db2.gz LCUCPUIWRGCEQB-UHFFFAOYSA-N 1 0 305.466 3.592 50 0 DHAARO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3ccccc3)cc(=O)oc12 ZINC000058051738 184071790 /nfs/dbraw/zinc/07/17/90/184071790.db2.gz YOTAFTJHHXGLJD-CYBMUJFWSA-N 1 0 309.365 3.658 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)NC2CCCCC2)cc1 ZINC000058013578 184066832 /nfs/dbraw/zinc/06/68/32/184066832.db2.gz JSTYQVGQKQMTFH-UHFFFAOYSA-N 1 0 317.477 3.660 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000058160743 184082232 /nfs/dbraw/zinc/08/22/32/184082232.db2.gz WOMYCCHEVCKNIG-MNOVXSKESA-N 1 0 322.330 3.782 50 0 DHAARO Clc1ccc2cccnc2c1CN1CCC[N@@H+](C2CC2)CC1 ZINC000058391428 184111321 /nfs/dbraw/zinc/11/13/21/184111321.db2.gz KBLJDVFELCTRQW-UHFFFAOYSA-N 1 0 315.848 3.558 50 0 DHAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COCc1ccccc1F ZINC000060478095 184150538 /nfs/dbraw/zinc/15/05/38/184150538.db2.gz YWEVASVQZLDEKD-HNNXBMFYSA-N 1 0 311.441 3.508 50 0 DHAARO COc1cccc(-c2ncc(C[NH2+]C3CCSCC3)s2)c1 ZINC000065385553 184333162 /nfs/dbraw/zinc/33/31/62/184333162.db2.gz DSDLFORXEJPOBP-UHFFFAOYSA-N 1 0 320.483 3.804 50 0 DHAARO CC(=O)N1CCCC[C@H]1C1=CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000065433132 184343912 /nfs/dbraw/zinc/34/39/12/184343912.db2.gz OPGZCNQBLNDYPE-AKERNLMBSA-N 1 0 324.468 3.733 50 0 DHAARO C[C@H](CNC(=O)NC1CCCCCCC1)[NH+]1CCC(C)CC1 ZINC000065477795 184352375 /nfs/dbraw/zinc/35/23/75/184352375.db2.gz KJIAUBMDSQGPFF-MRXNPFEDSA-N 1 0 309.498 3.519 50 0 DHAARO Cc1csc(NC(=O)c2ccc(C[N@@H+](C)CC(C)C)cc2)n1 ZINC000065531774 184361641 /nfs/dbraw/zinc/36/16/41/184361641.db2.gz BTNJTGOGZXUFPP-UHFFFAOYSA-N 1 0 317.458 3.792 50 0 DHAARO Fc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1Oc1ccccc1 ZINC000066088630 184388240 /nfs/dbraw/zinc/38/82/40/184388240.db2.gz SESTWVZDZQMAQW-QGZVFWFLSA-N 1 0 309.344 3.576 50 0 DHAARO CCCOc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000113398895 194586792 /nfs/dbraw/zinc/58/67/92/194586792.db2.gz VRWVQZRFNTVLIS-UHFFFAOYSA-N 1 0 309.413 3.684 50 0 DHAARO CC(C)[C@@H]1CC([NH2+]Cc2ccc3c(c2)OCO3)C[C@@H](C(C)C)O1 ZINC000524735307 257213676 /nfs/dbraw/zinc/21/36/76/257213676.db2.gz QFCSLHUPMINKGK-ROUUACIJSA-N 1 0 319.445 3.733 50 0 DHAARO Cc1ccc(OC[C@H]2CCCN(Cc3cscn3)C2)cc1 ZINC000216481324 257273519 /nfs/dbraw/zinc/27/35/19/257273519.db2.gz IBGIJNKNRBLBBH-HNNXBMFYSA-N 1 0 302.443 3.743 50 0 DHAARO C[C@@H](c1ccc(-c2ccc3c(c2)OCC3)cc1)[NH+]1CCOCC1 ZINC000426662553 257244113 /nfs/dbraw/zinc/24/41/13/257244113.db2.gz XEZAGCYWQUXHPI-HNNXBMFYSA-N 1 0 309.409 3.682 50 0 DHAARO CSc1n[nH]c(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)n1 ZINC000426526449 257247891 /nfs/dbraw/zinc/24/78/91/257247891.db2.gz PMIWTXHADWRYHR-LBPRGKRZSA-N 1 0 302.447 3.741 50 0 DHAARO Clc1cc2cccnc2c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000240423757 257259741 /nfs/dbraw/zinc/25/97/41/257259741.db2.gz FQPUPHUJTHIGQN-KRWDZBQOSA-N 1 0 315.848 3.558 50 0 DHAARO CC(C)Cc1ncc(C[NH2+]C[C@@H]2COc3ccccc32)s1 ZINC000288664236 131334538 /nfs/dbraw/zinc/33/45/38/131334538.db2.gz VYUHDFCKTFUYEW-CYBMUJFWSA-N 1 0 302.443 3.607 50 0 DHAARO Clc1ccc2nc(NC[C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000534576688 435293858 /nfs/dbraw/zinc/29/38/58/435293858.db2.gz AOYFHAVTZYRHIM-LBPRGKRZSA-N 1 0 301.821 3.784 50 0 DHAARO CC(C)C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccn1 ZINC000095420065 332170008 /nfs/dbraw/zinc/17/00/08/332170008.db2.gz BQTNLPVZWJHXBP-LJQANCHMSA-N 1 0 324.472 3.954 50 0 DHAARO Cc1c[nH+]ccc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000192507270 337306170 /nfs/dbraw/zinc/30/61/70/337306170.db2.gz VVEGZTSVPYZQCU-UHFFFAOYSA-N 1 0 304.340 3.716 50 0 DHAARO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1nnc(-c2ccccc2)o1 ZINC000119880249 337382949 /nfs/dbraw/zinc/38/29/49/337382949.db2.gz YTKMXOHMHQUMLX-OCCSQVGLSA-N 1 0 315.417 3.733 50 0 DHAARO CC1(C)CC([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000433295630 338189880 /nfs/dbraw/zinc/18/98/80/338189880.db2.gz FGULDMHTPVCFOH-UHFFFAOYSA-N 1 0 301.459 3.916 50 0 DHAARO CCC[C@H]([NH2+][C@H]1CCO[C@H](c2cncn2C)C1)C1CCCC1 ZINC000449263630 338607973 /nfs/dbraw/zinc/60/79/73/338607973.db2.gz LSTOUDHKDYIDFZ-BQFCYCMXSA-N 1 0 305.466 3.589 50 0 DHAARO Cc1cnn(CC[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)c1 ZINC000123867436 340795891 /nfs/dbraw/zinc/79/58/91/340795891.db2.gz VCTNQOXMHAYWHJ-INIZCTEOSA-N 1 0 319.836 3.657 50 0 DHAARO CN(C)c1ncccc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000154776414 341595904 /nfs/dbraw/zinc/59/59/04/341595904.db2.gz PSISDNQBPYRKFU-QGZVFWFLSA-N 1 0 323.440 3.684 50 0 DHAARO Cc1ccc(-c2ccc(NC(=O)N3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000299762854 534186983 /nfs/dbraw/zinc/18/69/83/534186983.db2.gz CGGPSHLJGAULEL-QGZVFWFLSA-N 1 0 309.413 3.617 50 0 DHAARO C[N@@H+]1CCCC[C@H]1CCSc1nnc(Cc2cccs2)o1 ZINC000283783043 536357889 /nfs/dbraw/zinc/35/78/89/536357889.db2.gz DMWATUWZQQUAOQ-LBPRGKRZSA-N 1 0 323.487 3.688 50 0 DHAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@H](O)COCC(C)C ZINC000036096668 563893321 /nfs/dbraw/zinc/89/33/21/563893321.db2.gz JKGFKNBGVKDGTL-INIZCTEOSA-N 1 0 313.507 3.630 50 0 DHAARO CC(C)NC(=O)NCC[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000067934400 563493757 /nfs/dbraw/zinc/49/37/57/563493757.db2.gz HNWCDNFGVVVUNX-INIZCTEOSA-N 1 0 309.498 3.519 50 0 DHAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCCC1 ZINC000000061895 563212189 /nfs/dbraw/zinc/21/21/89/563212189.db2.gz ZMFLEPVMDAVMIG-MRXNPFEDSA-N 1 0 308.425 3.641 50 0 DHAARO c1ccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)nc1 ZINC000000239805 563232705 /nfs/dbraw/zinc/23/27/05/563232705.db2.gz YPVCLPBGBXNBIS-UHFFFAOYSA-N 1 0 303.409 3.557 50 0 DHAARO CCOc1ccccc1N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000000240125 563232793 /nfs/dbraw/zinc/23/27/93/563232793.db2.gz GLUJDECGELDXGK-UHFFFAOYSA-N 1 0 324.468 3.970 50 0 DHAARO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000000255031 563234159 /nfs/dbraw/zinc/23/41/59/563234159.db2.gz ZHIQVKLHMZKQFJ-UHFFFAOYSA-N 1 0 308.425 3.636 50 0 DHAARO O=C(OCC[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000000289144 563236598 /nfs/dbraw/zinc/23/65/98/563236598.db2.gz BXPWUOQQRMOUIT-UHFFFAOYSA-N 1 0 323.436 3.848 50 0 DHAARO C[N@H+](C[C@H](O)COc1ccc2ccccc2c1)C1CCCCC1 ZINC000000307570 563238915 /nfs/dbraw/zinc/23/89/15/563238915.db2.gz PCEJUSXAMGFALJ-IBGZPJMESA-N 1 0 313.441 3.844 50 0 DHAARO C[C@H](C[NH+]1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000000383095 563248239 /nfs/dbraw/zinc/24/82/39/563248239.db2.gz BVODEVLJXZALEU-QGZVFWFLSA-N 1 0 323.436 3.846 50 0 DHAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]C(C)(C)C)CCCC1 ZINC000000571477 563267874 /nfs/dbraw/zinc/26/78/74/563267874.db2.gz LUUZEOJMIHNBFS-OAHLLOKOSA-N 1 0 314.473 3.578 50 0 DHAARO CC(C)CC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000001856282 563296281 /nfs/dbraw/zinc/29/62/81/563296281.db2.gz RILRKUIAPLEMSF-INIZCTEOSA-N 1 0 310.441 3.791 50 0 DHAARO COc1cc2cccnc2c(N[C@H](C)CCC[NH2+]C(C)C)c1 ZINC000001873650 563296916 /nfs/dbraw/zinc/29/69/16/563296916.db2.gz FXVNYPZBTGPKQO-CQSZACIVSA-N 1 0 301.434 3.822 50 0 DHAARO [NH3+]C[C@H](CCO[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000034625811 563311036 /nfs/dbraw/zinc/31/10/36/563311036.db2.gz SGVWGQRMFAWWKV-SWLSCSKDSA-N 1 0 318.244 3.969 50 0 DHAARO COc1cccc(N(C(C)=O)C2CC[NH+](CCC(C)C)CC2)c1 ZINC000034683129 563313038 /nfs/dbraw/zinc/31/30/38/563313038.db2.gz YPYOUTQSCOYOSF-UHFFFAOYSA-N 1 0 318.461 3.559 50 0 DHAARO COc1cc2[nH+]c(N3CCC[C@@H](C)C3)cc(C)c2c(OC)c1 ZINC000005744235 563330963 /nfs/dbraw/zinc/33/09/63/563330963.db2.gz HTJVSIGYOJPXIK-GFCCVEGCSA-N 1 0 300.402 3.797 50 0 DHAARO C[C@@H]1SCCN(Cc2nc(C3CC3)no2)[C@H]1c1ccccc1 ZINC000071911157 563333276 /nfs/dbraw/zinc/33/32/76/563333276.db2.gz KNMAFRRAMVBWNN-BLLLJJGKSA-N 1 0 315.442 3.626 50 0 DHAARO Cc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2CCCC3)cc1 ZINC000002966179 563345397 /nfs/dbraw/zinc/34/53/97/563345397.db2.gz MWCZEYZASIVZTH-NRFANRHFSA-N 1 0 321.444 3.564 50 0 DHAARO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000008337097 563346090 /nfs/dbraw/zinc/34/60/90/563346090.db2.gz JZCGZMCXFCPWRC-MRXNPFEDSA-N 1 0 319.832 3.780 50 0 DHAARO CC[C@H](CO)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000008337136 563346098 /nfs/dbraw/zinc/34/60/98/563346098.db2.gz BDVAVLGXDKQPIE-QGZVFWFLSA-N 1 0 319.832 3.780 50 0 DHAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000010450025 563357423 /nfs/dbraw/zinc/35/74/23/563357423.db2.gz OTNPKEFQSSYXPC-UHFFFAOYSA-N 1 0 308.425 3.569 50 0 DHAARO OCC1(CCCc2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000011820728 563359832 /nfs/dbraw/zinc/35/98/32/563359832.db2.gz DCMQOPJAKUAIRL-UHFFFAOYSA-N 1 0 324.468 3.679 50 0 DHAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011820888 563360111 /nfs/dbraw/zinc/36/01/11/563360111.db2.gz HPFRLKJJQHOFSX-INIZCTEOSA-N 1 0 314.816 3.830 50 0 DHAARO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)o1 ZINC000011999124 563360828 /nfs/dbraw/zinc/36/08/28/563360828.db2.gz LDAPSYCGCLRWGU-MRXNPFEDSA-N 1 0 318.461 3.813 50 0 DHAARO Fc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)c1 ZINC000011937020 563360858 /nfs/dbraw/zinc/36/08/58/563360858.db2.gz DMUOKMPZYLWWEG-QGZVFWFLSA-N 1 0 322.387 3.574 50 0 DHAARO COCC[N@H+](Cc1nc(-c2ccc(F)cc2F)oc1C)C(C)C ZINC000012055897 563361039 /nfs/dbraw/zinc/36/10/39/563361039.db2.gz LLJQFNIZKYGPMY-UHFFFAOYSA-N 1 0 324.371 3.785 50 0 DHAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000012151073 563363371 /nfs/dbraw/zinc/36/33/71/563363371.db2.gz FOOHPDASMCFZGG-INIZCTEOSA-N 1 0 313.445 3.693 50 0 DHAARO Cc1c(C)n(Cc2ccncc2)c2[nH+]c3c(c(N)c12)CCCCC3 ZINC000012325109 563366422 /nfs/dbraw/zinc/36/64/22/563366422.db2.gz AKVARBPPRZMTIS-UHFFFAOYSA-N 1 0 320.440 3.948 50 0 DHAARO C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)C1CCCCC1 ZINC000012386246 563368323 /nfs/dbraw/zinc/36/83/23/563368323.db2.gz VKFHXUUZYLCVAH-UHFFFAOYSA-N 1 0 303.381 3.564 50 0 DHAARO Clc1ccc(-c2noc3c2C[N@@H+](C2CCOCC2)CC3)cc1 ZINC000012582220 563371437 /nfs/dbraw/zinc/37/14/37/563371437.db2.gz CUXHIUSTYNHCMP-UHFFFAOYSA-N 1 0 318.804 3.532 50 0 DHAARO CO[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(C)cc3)oc2C)C1 ZINC000012585051 563371534 /nfs/dbraw/zinc/37/15/34/563371534.db2.gz QWYZQRMEDBGGEL-MRXNPFEDSA-N 1 0 300.402 3.569 50 0 DHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](CC=C(C)C)C2)cc1F ZINC000012577371 563371743 /nfs/dbraw/zinc/37/17/43/563371743.db2.gz DGQXNHPLAYORLH-HNNXBMFYSA-N 1 0 305.393 3.695 50 0 DHAARO Cc1ccc(C(C)C)c(OCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000013153836 563379498 /nfs/dbraw/zinc/37/94/98/563379498.db2.gz WLEZBYKAMHZLDO-CALCHBBNSA-N 1 0 305.462 3.997 50 0 DHAARO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000014197530 563397616 /nfs/dbraw/zinc/39/76/16/563397616.db2.gz CGHMRMLHESSVAF-UHFFFAOYSA-N 1 0 310.441 3.715 50 0 DHAARO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000032900919 563410238 /nfs/dbraw/zinc/41/02/38/563410238.db2.gz ARIJHOMXFVDGHR-CQSZACIVSA-N 1 0 310.376 3.566 50 0 DHAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)NC1CCCCCC1 ZINC000025358809 563422848 /nfs/dbraw/zinc/42/28/48/563422848.db2.gz OHERQEICSXBKTG-LJQANCHMSA-N 1 0 314.473 3.533 50 0 DHAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000027440457 563427982 /nfs/dbraw/zinc/42/79/82/563427982.db2.gz NXJUJJGEWOFQTQ-UHFFFAOYSA-N 1 0 318.436 3.600 50 0 DHAARO CCCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581886 563428856 /nfs/dbraw/zinc/42/88/56/563428856.db2.gz IFEKPPILQYZJHT-GOSISDBHSA-N 1 0 302.462 3.828 50 0 DHAARO C[C@H](C(=O)NC1CCCC1)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000027782550 563430103 /nfs/dbraw/zinc/43/01/03/563430103.db2.gz KWKRPTVSPCFPNH-ZIUDEIKKSA-N 1 0 318.505 3.582 50 0 DHAARO COc1ccccc1[C@@H](CNc1nc2ccccc2o1)[NH+](C)C ZINC000029329105 563433462 /nfs/dbraw/zinc/43/34/62/563433462.db2.gz QXRUXBLOXCGFKX-OAHLLOKOSA-N 1 0 311.385 3.551 50 0 DHAARO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c1C ZINC000029482373 563434574 /nfs/dbraw/zinc/43/45/74/563434574.db2.gz IKNWYLFINGALQV-LJQANCHMSA-N 1 0 308.425 3.861 50 0 DHAARO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1cccc2ccccc21 ZINC000029597309 563435526 /nfs/dbraw/zinc/43/55/26/563435526.db2.gz ZBIRHPOFOVSPBM-MRXNPFEDSA-N 1 0 310.441 3.749 50 0 DHAARO OC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000023280238 563449136 /nfs/dbraw/zinc/44/91/36/563449136.db2.gz WVDADVYSGCYRMN-CYBMUJFWSA-N 1 0 305.805 3.804 50 0 DHAARO Cc1ccsc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022455044 563449634 /nfs/dbraw/zinc/44/96/34/563449634.db2.gz IUZJMCXELPGPEI-VMPITWQZSA-N 1 0 312.482 3.888 50 0 DHAARO Fc1ccc2[nH]ccc2c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000035606078 563453533 /nfs/dbraw/zinc/45/35/33/563453533.db2.gz TYGZEOFXXLXXGG-UHFFFAOYSA-N 1 0 309.388 3.629 50 0 DHAARO CC(C)(C)c1cn2c(n1)[C@@H](C[NH2+]C1CCSCC1)CCC2 ZINC000095402080 563466678 /nfs/dbraw/zinc/46/66/78/563466678.db2.gz MFDLTWPUWFQTQF-CYBMUJFWSA-N 1 0 307.507 3.543 50 0 DHAARO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(C)c1CO ZINC000055245275 563472600 /nfs/dbraw/zinc/47/26/00/563472600.db2.gz YVCIOGQAIDYMNC-HXUWFJFHSA-N 1 0 310.441 3.836 50 0 DHAARO CS[C@H](C)CC[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055414708 563475375 /nfs/dbraw/zinc/47/53/75/563475375.db2.gz VZOMXQQDGILGTR-CQSZACIVSA-N 1 0 322.522 3.714 50 0 DHAARO CC(C)n1cc(C[N@H+](C)CCCOc2ccc(F)cc2)cn1 ZINC000055386087 563475690 /nfs/dbraw/zinc/47/56/90/563475690.db2.gz XVDJJSLTWZQMRB-UHFFFAOYSA-N 1 0 305.397 3.504 50 0 DHAARO Cc1cc(=O)oc2cc(C[N@@H+](C)[C@@H](C)c3ccccn3)ccc12 ZINC000067514298 563488005 /nfs/dbraw/zinc/48/80/05/563488005.db2.gz WKAUXKDZWDSAER-AWEZNQCLSA-N 1 0 308.381 3.689 50 0 DHAARO Cc1c2ccccc2oc1CNc1cc([C@H]2CCC[NH2+]C2)ncn1 ZINC000067641860 563488033 /nfs/dbraw/zinc/48/80/33/563488033.db2.gz IWCRZYFSPGFSFI-AWEZNQCLSA-N 1 0 322.412 3.610 50 0 DHAARO CCCc1ccc(-c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000067677922 563488782 /nfs/dbraw/zinc/48/87/82/563488782.db2.gz JOIIBBOWNWSRNC-KRWDZBQOSA-N 1 0 322.452 3.727 50 0 DHAARO CSCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(C)c(C)c1 ZINC000067726232 563489661 /nfs/dbraw/zinc/48/96/61/563489661.db2.gz AVUUVCPPKURVKF-GOSISDBHSA-N 1 0 315.486 3.727 50 0 DHAARO C[N@@H+]1CCC[C@H]1CCn1ccnc1-c1ccc2ccccc2n1 ZINC000067771383 563490561 /nfs/dbraw/zinc/49/05/61/563490561.db2.gz QTIRAZSMNOZXJC-INIZCTEOSA-N 1 0 306.413 3.583 50 0 DHAARO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000067840251 563491236 /nfs/dbraw/zinc/49/12/36/563491236.db2.gz QJQCFTUDPAMACJ-GOSISDBHSA-N 1 0 314.473 3.981 50 0 DHAARO CCc1ccc(C[NH+]2CCC(c3cc(C(C)C)n[nH]3)CC2)nc1 ZINC000067921594 563493540 /nfs/dbraw/zinc/49/35/40/563493540.db2.gz PPFCKUVGJHTCKH-UHFFFAOYSA-N 1 0 312.461 3.870 50 0 DHAARO Cc1ccc2cc(C[N@@H+](Cc3cccnc3)C(C)C)c(=O)[nH]c2c1 ZINC000067956014 563493818 /nfs/dbraw/zinc/49/38/18/563493818.db2.gz IJCYFFOOPSSKLT-UHFFFAOYSA-N 1 0 321.424 3.642 50 0 DHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1C ZINC000071278954 563498455 /nfs/dbraw/zinc/49/84/55/563498455.db2.gz CSYFTMWGQACJIJ-SFHVURJKSA-N 1 0 316.489 3.678 50 0 DHAARO c1cc(Oc2ccccc2)oc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000097057388 563504829 /nfs/dbraw/zinc/50/48/29/563504829.db2.gz GBLYZSXIGDPNNN-UHFFFAOYSA-N 1 0 324.384 3.570 50 0 DHAARO c1ccc(-c2noc([C@H]3CCC[N@H+]3CCc3ccccn3)n2)cc1 ZINC000077379636 563509987 /nfs/dbraw/zinc/50/99/87/563509987.db2.gz BUSVBDUUBORULJ-QGZVFWFLSA-N 1 0 320.396 3.511 50 0 DHAARO CCCc1ccc(CN2CCC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000077564790 563511469 /nfs/dbraw/zinc/51/14/69/563511469.db2.gz UARHDZCOTYFQBB-QGZVFWFLSA-N 1 0 304.478 3.930 50 0 DHAARO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 ZINC000077535887 563511843 /nfs/dbraw/zinc/51/18/43/563511843.db2.gz BTLRUIKRIVMSNW-HNNXBMFYSA-N 1 0 306.413 3.646 50 0 DHAARO CC(C)[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077541254 563512048 /nfs/dbraw/zinc/51/20/48/563512048.db2.gz JVYMJJPTJZDBJN-UHFFFAOYSA-N 1 0 320.864 3.563 50 0 DHAARO C[C@@H]([NH2+]Cc1ccnc(SC(C)(C)C)c1)c1cnn(C)c1 ZINC000097234054 563514777 /nfs/dbraw/zinc/51/47/77/563514777.db2.gz IKHHBGOQRHWJSW-GFCCVEGCSA-N 1 0 304.463 3.557 50 0 DHAARO C[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000158013533 563523237 /nfs/dbraw/zinc/52/32/37/563523237.db2.gz OWVVFDKUZXHOPO-WDEREUQCSA-N 1 0 322.321 3.722 50 0 DHAARO C=Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000096131425 563533015 /nfs/dbraw/zinc/53/30/15/563533015.db2.gz ZMTPOSZMXVZJII-SFHVURJKSA-N 1 0 313.445 3.812 50 0 DHAARO COc1ccc2[nH]c(C[NH+]3CCC(c4cc[nH]n4)CC3)c(C)c2c1 ZINC000097505254 563539259 /nfs/dbraw/zinc/53/92/59/563539259.db2.gz WBHUMAGOPJJSEP-UHFFFAOYSA-N 1 0 324.428 3.588 50 0 DHAARO CCSc1ncc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000097594754 563539976 /nfs/dbraw/zinc/53/99/76/563539976.db2.gz NOWFSPXFNZLJFD-HNNXBMFYSA-N 1 0 317.433 3.717 50 0 DHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)on1 ZINC000097674285 563541383 /nfs/dbraw/zinc/54/13/83/563541383.db2.gz QJKLJQYWVGEGFQ-CQSZACIVSA-N 1 0 314.414 3.772 50 0 DHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000097766398 563542406 /nfs/dbraw/zinc/54/24/06/563542406.db2.gz WACPKAKGEHBNIC-SFHVURJKSA-N 1 0 322.412 3.814 50 0 DHAARO Cc1ccsc1-c1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)c(C)o1 ZINC000101962035 563558633 /nfs/dbraw/zinc/55/86/33/563558633.db2.gz WOTWYHKIDMZLCO-WDNDVIMCSA-N 1 0 318.442 3.508 50 0 DHAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]CCOc1ccccn1 ZINC000113395740 563581511 /nfs/dbraw/zinc/58/15/11/563581511.db2.gz GPLHLKKBEYWJKV-UHFFFAOYSA-N 1 0 320.820 3.691 50 0 DHAARO COc1ccc(Sc2ccccc2C[C@H](C)[NH3+])cc1OC ZINC000033895876 563616339 /nfs/dbraw/zinc/61/63/39/563616339.db2.gz ZUPFLSCORDEOGB-LBPRGKRZSA-N 1 0 303.427 3.745 50 0 DHAARO Cc1nc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cs1 ZINC000273521810 563626480 /nfs/dbraw/zinc/62/64/80/563626480.db2.gz QCSRRYQAHSRCJZ-IRXDYDNUSA-N 1 0 320.433 3.943 50 0 DHAARO Clc1ccc(OCC[NH2+]C[C@@H]2CCCO2)c2ccccc12 ZINC000003003928 563635500 /nfs/dbraw/zinc/63/55/00/563635500.db2.gz GKSQBUOGEYALMY-ZDUSSCGKSA-N 1 0 305.805 3.641 50 0 DHAARO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000098073950 563646387 /nfs/dbraw/zinc/64/63/87/563646387.db2.gz WQJJVUILWJDDCT-KRWDZBQOSA-N 1 0 310.441 3.646 50 0 DHAARO COc1ccc(CCNC(=[NH2+])[C@@H](C)c2ccccc2)cc1OC ZINC000000502499 563653681 /nfs/dbraw/zinc/65/36/81/563653681.db2.gz HIOYAHWBPJRPHG-AWEZNQCLSA-N 1 0 312.413 3.617 50 0 DHAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2C)cc2c1OCCO2 ZINC000014137397 563665231 /nfs/dbraw/zinc/66/52/31/563665231.db2.gz BYKUARXRNNQKTR-AWEZNQCLSA-N 1 0 313.397 3.626 50 0 DHAARO CCSc1nnc(SCC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000044865555 563684933 /nfs/dbraw/zinc/68/49/33/563684933.db2.gz UJEPMFGTYUSYAE-JTQLQIEISA-N 1 0 303.522 3.617 50 0 DHAARO CCCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000045944981 563691104 /nfs/dbraw/zinc/69/11/04/563691104.db2.gz MLVFUTYDYKNMRA-HNNXBMFYSA-N 1 0 320.452 3.905 50 0 DHAARO CC(C)=C[C@H]1[C@@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000048311018 563695515 /nfs/dbraw/zinc/69/55/15/563695515.db2.gz XOJFICJMISYQQV-GJZGRUSLSA-N 1 0 306.494 3.650 50 0 DHAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1ccc([C@H]2CCCO2)s1 ZINC000215135883 563704636 /nfs/dbraw/zinc/70/46/36/563704636.db2.gz HNKCFRKONSQCSJ-MRXNPFEDSA-N 1 0 319.474 3.614 50 0 DHAARO COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC ZINC000002735992 563705214 /nfs/dbraw/zinc/70/52/14/563705214.db2.gz URGJOODNSUCQCR-UHFFFAOYSA-N 1 0 310.397 3.517 50 0 DHAARO CC(C)c1cc(CN2CCC([C@H](O)c3cccs3)CC2)on1 ZINC000215382283 563705871 /nfs/dbraw/zinc/70/58/71/563705871.db2.gz YVSDAXJCFSEGMT-KRWDZBQOSA-N 1 0 320.458 3.805 50 0 DHAARO Cc1ccccc1-n1cc(C[N@H+](C)CCC[C@H]2CCCO2)cn1 ZINC000216205242 563708320 /nfs/dbraw/zinc/70/83/20/563708320.db2.gz ZQRYSNZHGFUNTF-SFHVURJKSA-N 1 0 313.445 3.572 50 0 DHAARO c1cnc2cccc(CN3CC[NH+](CC4CCCC4)CC3)c2c1 ZINC000219320234 563718633 /nfs/dbraw/zinc/71/86/33/563718633.db2.gz KZUPXMABWSUXMG-UHFFFAOYSA-N 1 0 309.457 3.543 50 0 DHAARO COc1ccccc1CNc1[nH+]cc(-c2ccc(F)cc2)n1C ZINC000000819098 563720933 /nfs/dbraw/zinc/72/09/33/563720933.db2.gz MIHBFNUGPVYAJN-UHFFFAOYSA-N 1 0 311.360 3.847 50 0 DHAARO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000221937095 563723834 /nfs/dbraw/zinc/72/38/34/563723834.db2.gz SNCPXSYICPIVIM-RRQGHBQHSA-N 1 0 306.425 3.547 50 0 DHAARO Cc1cccc(-c2cccc(C(=O)N(C)C[C@H]3CCC[NH2+]C3)c2)c1 ZINC000223870765 563737336 /nfs/dbraw/zinc/73/73/36/563737336.db2.gz KBPBDJCBMYKLIU-KRWDZBQOSA-N 1 0 322.452 3.734 50 0 DHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000225417075 563754612 /nfs/dbraw/zinc/75/46/12/563754612.db2.gz ODZOATBUMWMBEV-IEBWSBKVSA-N 1 0 300.446 3.518 50 0 DHAARO CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C[NH3+])cc2)c1 ZINC000040449496 563758020 /nfs/dbraw/zinc/75/80/20/563758020.db2.gz DRPAEOSEEICRMW-UHFFFAOYSA-N 1 0 312.413 3.837 50 0 DHAARO CNC(=O)c1cccc(CC[NH2+][C@@H](c2cccs2)C(C)C)c1 ZINC000225544352 563758598 /nfs/dbraw/zinc/75/85/98/563758598.db2.gz OLRXRSHNYSLRHA-QGZVFWFLSA-N 1 0 316.470 3.637 50 0 DHAARO CCC[NH+](CCC)CP12(O[C@H](C)[C@@H](C)O1)O[C@H](C)[C@@H](C)O2 ZINC000229984373 563773509 /nfs/dbraw/zinc/77/35/09/563773509.db2.gz RXAWBXAKAOSLAY-KBUPBQIOSA-N 1 0 321.398 3.927 50 0 DHAARO CCCOc1ccc(C[NH2+]Cc2c(C)nn(CC)c2C)c(C)c1 ZINC000242302375 563778469 /nfs/dbraw/zinc/77/84/69/563778469.db2.gz YSBSKJUUNPVHHU-UHFFFAOYSA-N 1 0 315.461 3.907 50 0 DHAARO O=C(CC1CCCC1)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000244724433 563778929 /nfs/dbraw/zinc/77/89/29/563778929.db2.gz MTZOCNOELQQDJL-UHFFFAOYSA-N 1 0 314.473 3.563 50 0 DHAARO C[C@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000244633391 563778946 /nfs/dbraw/zinc/77/89/46/563778946.db2.gz GCEJDZIRDXWIGJ-CYBMUJFWSA-N 1 0 317.820 3.757 50 0 DHAARO Cc1cccc(Cn2nc(C[NH2+]C3CC3)c(-c3ccccc3)n2)c1 ZINC000247941006 563782116 /nfs/dbraw/zinc/78/21/16/563782116.db2.gz UVDGBAFVCHFGEX-UHFFFAOYSA-N 1 0 318.424 3.554 50 0 DHAARO CCCn1nc(C[NH2+]CCc2ccccc2)c(-c2ccccc2)n1 ZINC000247984721 563782160 /nfs/dbraw/zinc/78/21/60/563782160.db2.gz IGPJDAXULBGKME-UHFFFAOYSA-N 1 0 320.440 3.687 50 0 DHAARO C[NH+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248053441 563782581 /nfs/dbraw/zinc/78/25/81/563782581.db2.gz XWCJBGNXBKKAFD-UHFFFAOYSA-N 1 0 321.468 3.731 50 0 DHAARO Cc1ccc(Cn2nc(C[NH2+]C3CC3)c(-c3ccccc3)n2)cc1 ZINC000248051170 563782820 /nfs/dbraw/zinc/78/28/20/563782820.db2.gz AWCRIBSZABYCER-UHFFFAOYSA-N 1 0 318.424 3.554 50 0 DHAARO Cc1cc(Cl)ccc1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000128892292 563783432 /nfs/dbraw/zinc/78/34/32/563783432.db2.gz CRSQVSTZQGVWMM-UHFFFAOYSA-N 1 0 312.804 3.519 50 0 DHAARO C[NH+](C)[C@@H](CNc1ncnc2sccc21)c1ccc(F)cc1 ZINC000052486038 563788012 /nfs/dbraw/zinc/78/80/12/563788012.db2.gz PMJHHULDMOORBX-AWEZNQCLSA-N 1 0 316.405 3.545 50 0 DHAARO CC1CC[NH+](CCOc2ccc(Br)cc2F)CC1 ZINC000230554984 563800685 /nfs/dbraw/zinc/80/06/85/563800685.db2.gz ZKKHOZBRBIELHT-UHFFFAOYSA-N 1 0 316.214 3.699 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000012553169 563800991 /nfs/dbraw/zinc/80/09/91/563800991.db2.gz VMZOXZLEGDCPIP-MEDUHNTESA-N 1 0 316.351 3.569 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccco2)cc1OC1CCCC1 ZINC000032186692 563813770 /nfs/dbraw/zinc/81/37/70/563813770.db2.gz IDFCFFWHPGDOOH-UHFFFAOYSA-N 1 0 301.386 3.899 50 0 DHAARO COc1ccc2cc(C[NH2+]CCc3c(C)nn(C)c3C)ccc2c1 ZINC000084012213 563821147 /nfs/dbraw/zinc/82/11/47/563821147.db2.gz AQCJVNHXDVGXDK-UHFFFAOYSA-N 1 0 323.440 3.531 50 0 DHAARO c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000084598428 563828101 /nfs/dbraw/zinc/82/81/01/563828101.db2.gz DEKYQXPVZGGDOO-FQEVSTJZSA-N 1 0 324.468 3.527 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000084714640 563829863 /nfs/dbraw/zinc/82/98/63/563829863.db2.gz XDUMUDSOHQQVSQ-GDZNZVCISA-N 1 0 320.864 3.638 50 0 DHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000084780015 563831244 /nfs/dbraw/zinc/83/12/44/563831244.db2.gz XERPCEOYYPCOAF-IUODEOHRSA-N 1 0 309.841 3.534 50 0 DHAARO C[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 ZINC000012815055 563836599 /nfs/dbraw/zinc/83/65/99/563836599.db2.gz SHFQSGPVQDPOCZ-VXGBXAGGSA-N 1 0 306.793 3.604 50 0 DHAARO CN(CC(=O)N(C)c1ccccc1)Cc1ccc2ccccc2c1 ZINC000012916179 563853738 /nfs/dbraw/zinc/85/37/38/563853738.db2.gz XKVJBKZKHYFBEJ-UHFFFAOYSA-N 1 0 318.420 3.935 50 0 DHAARO CC[C@@H]([NH2+]C1CCC(O)CC1)c1ccccc1Br ZINC000090799940 563876098 /nfs/dbraw/zinc/87/60/98/563876098.db2.gz PLPVAJDXMFRYNJ-KOHJWAIASA-N 1 0 312.251 3.793 50 0 DHAARO C[C@H]([NH2+]C1CCC(O)CC1)c1ccc(SC(F)F)cc1 ZINC000090800402 563876230 /nfs/dbraw/zinc/87/62/30/563876230.db2.gz LZSKEKFQHXSDSE-PKSQDBQZSA-N 1 0 301.402 3.955 50 0 DHAARO CC1=C(C)[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)N(CCC(C)C)C1=O ZINC000245253796 563881715 /nfs/dbraw/zinc/88/17/15/563881715.db2.gz QTRVLQKYYQBXGS-DTTOXWODSA-N 1 0 306.494 3.952 50 0 DHAARO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)o1 ZINC000245566207 563882222 /nfs/dbraw/zinc/88/22/22/563882222.db2.gz SNPFBPXJLNNIRB-ZTFGCOKTSA-N 1 0 319.445 3.563 50 0 DHAARO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCSC1 ZINC000089356051 563884749 /nfs/dbraw/zinc/88/47/49/563884749.db2.gz IPQGVFLXCLXXMU-QGZVFWFLSA-N 1 0 314.454 3.598 50 0 DHAARO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 ZINC000089580459 563891107 /nfs/dbraw/zinc/89/11/07/563891107.db2.gz SSQFQZADRGIFRN-KBPBESRZSA-N 1 0 310.401 3.889 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c2ccc(C)cc12 ZINC000002493223 563891814 /nfs/dbraw/zinc/89/18/14/563891814.db2.gz VTDUMFHAAHMNGU-YJBOKZPZSA-N 1 0 314.473 3.802 50 0 DHAARO Cc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c1 ZINC000036098702 563892729 /nfs/dbraw/zinc/89/27/29/563892729.db2.gz ZSFYNQXTWFTQGJ-IBGZPJMESA-N 1 0 313.441 3.645 50 0 DHAARO CC(C)[N@@H+](Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036103078 563893330 /nfs/dbraw/zinc/89/33/30/563893330.db2.gz OFJPXLWDVCHXJC-SFHVURJKSA-N 1 0 301.405 3.640 50 0 DHAARO Cc1ccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C(C)C)s1 ZINC000036101204 563893835 /nfs/dbraw/zinc/89/38/35/563893835.db2.gz GVZVICOOYLATQO-QGZVFWFLSA-N 1 0 303.471 3.871 50 0 DHAARO CC(C)OC[C@H](O)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103317 563893996 /nfs/dbraw/zinc/89/39/96/563893996.db2.gz ZRGBNHGFCOGFEK-QGZVFWFLSA-N 1 0 319.470 3.536 50 0 DHAARO Cc1ccc(CN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 ZINC000006942441 563899995 /nfs/dbraw/zinc/89/99/95/563899995.db2.gz XCUGQQZIQFFKET-UHFFFAOYSA-N 1 0 323.392 3.815 50 0 DHAARO CC[C@H](C)[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000007015566 563901321 /nfs/dbraw/zinc/90/13/21/563901321.db2.gz SLEVKNBKEAGVQC-KBPBESRZSA-N 1 0 313.869 3.900 50 0 DHAARO Cc1ccc(N(Cc2ccccc2)C(=O)C2CC[NH2+]CC2)cc1 ZINC000151361015 563901665 /nfs/dbraw/zinc/90/16/65/563901665.db2.gz INFBSNJUQSDSFQ-UHFFFAOYSA-N 1 0 308.425 3.528 50 0 DHAARO Cc1cc(C)c2c(n1)sc1c2ncnc1SCC[NH+](C)C ZINC000036640151 563902366 /nfs/dbraw/zinc/90/23/66/563902366.db2.gz YFPDEHZJQNXWMB-UHFFFAOYSA-N 1 0 318.471 3.510 50 0 DHAARO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cn1 ZINC000170042467 563902977 /nfs/dbraw/zinc/90/29/77/563902977.db2.gz HFOAEDOXQRFILJ-KVSKMBFKSA-N 1 0 313.445 3.892 50 0 DHAARO CCC[C@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000170596951 563907162 /nfs/dbraw/zinc/90/71/62/563907162.db2.gz ILVCOLYTSPUCFQ-HNNXBMFYSA-N 1 0 316.449 3.786 50 0 DHAARO COc1cccc(N[C@@H](CNc2ccnc(C)n2)C(C)(C)C)c1 ZINC000170603323 563907376 /nfs/dbraw/zinc/90/73/76/563907376.db2.gz DEBCQHDWSMHTMO-INIZCTEOSA-N 1 0 314.433 3.732 50 0 DHAARO CC(C)c1nn(C)cc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000037316099 563908623 /nfs/dbraw/zinc/90/86/23/563908623.db2.gz UQPLDNDHANTEIZ-OAHLLOKOSA-N 1 0 301.459 3.870 50 0 DHAARO O=C(Nc1ccccc1O)C1CC[NH+](CC2CCCCC2)CC1 ZINC000014190261 563910416 /nfs/dbraw/zinc/91/04/16/563910416.db2.gz BIEWZXHQBHSPFL-UHFFFAOYSA-N 1 0 316.445 3.623 50 0 DHAARO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CCOC3)s2)cc1 ZINC000089724325 563911076 /nfs/dbraw/zinc/91/10/76/563911076.db2.gz WCDVKXCCBYYWGA-BXUZGUMPSA-N 1 0 318.442 3.567 50 0 DHAARO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089744416 563911125 /nfs/dbraw/zinc/91/11/25/563911125.db2.gz IUALHNZZYBGOIL-WDEREUQCSA-N 1 0 315.244 3.512 50 0 DHAARO Cc1nccn1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000089735722 563911163 /nfs/dbraw/zinc/91/11/63/563911163.db2.gz DGBSGGNWFDUDNX-MRXNPFEDSA-N 1 0 303.837 3.552 50 0 DHAARO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3CCOC3)s2)cc1 ZINC000089724327 563911177 /nfs/dbraw/zinc/91/11/77/563911177.db2.gz WCDVKXCCBYYWGA-RISCZKNCSA-N 1 0 318.442 3.567 50 0 DHAARO Cc1cc(C)c(OCCCC[NH+](C)C)c(Br)c1 ZINC000002824071 563913140 /nfs/dbraw/zinc/91/31/40/563913140.db2.gz VPSYKLOMCHOCKO-UHFFFAOYSA-N 1 0 300.240 3.787 50 0 DHAARO CC(C)[C@H](CC[NH2+]Cc1ccc2c(c1)OCO2)c1ccco1 ZINC000002157136 563916117 /nfs/dbraw/zinc/91/61/17/563916117.db2.gz HRNCAYFDDOIXIU-HNNXBMFYSA-N 1 0 301.386 3.928 50 0 biogenic DHAARO C[N@H+](Cc1nc(Cl)ccc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252511214 563916502 /nfs/dbraw/zinc/91/65/02/563916502.db2.gz FAXDSRUDOPEUIA-CUOATXAZSA-N 1 0 315.244 3.634 50 0 DHAARO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1 ZINC000170670856 563917563 /nfs/dbraw/zinc/91/75/63/563917563.db2.gz QKFLPTYSNMBLRL-NKSTXHLWSA-N 1 0 313.532 3.739 50 0 DHAARO O=C(C[NH+]1CCCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000007781909 563919355 /nfs/dbraw/zinc/91/93/55/563919355.db2.gz XFXKTCPZKOIPLO-UHFFFAOYSA-N 1 0 300.324 3.520 50 0 DHAARO Fc1cc(Cl)ccc1C[NH2+]Cc1cccc(-c2nc[nH]n2)c1 ZINC000195572374 563919841 /nfs/dbraw/zinc/91/98/41/563919841.db2.gz XLFIIJAYEPVVSD-UHFFFAOYSA-N 1 0 316.767 3.554 50 0 DHAARO Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)C2CC2)o1 ZINC000195670084 563919885 /nfs/dbraw/zinc/91/98/85/563919885.db2.gz MOMNAZHJXDUYNN-KBXCAEBGSA-N 1 0 318.461 3.590 50 0 DHAARO COCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000247917633 563920119 /nfs/dbraw/zinc/92/01/19/563920119.db2.gz ZPVNWESXMZGJQR-UHFFFAOYSA-N 1 0 312.388 3.565 50 0 DHAARO Cc1cn2c(n1)CC[C@H]([NH2+]CCCc1c(F)cccc1Cl)C2 ZINC000253419702 563925199 /nfs/dbraw/zinc/92/51/99/563925199.db2.gz BGPSUCGZIRDMGI-ZDUSSCGKSA-N 1 0 321.827 3.521 50 0 DHAARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000253432968 563925726 /nfs/dbraw/zinc/92/57/26/563925726.db2.gz QHWHYJMHKIVDSL-AEFFLSMTSA-N 1 0 313.445 3.512 50 0 DHAARO Cc1cccc(C(C)(C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000078714947 563929980 /nfs/dbraw/zinc/92/99/80/563929980.db2.gz BZTSPLXPXJFJHW-QGZVFWFLSA-N 1 0 316.489 3.653 50 0 DHAARO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(O)c(F)c1)CCCO2 ZINC000095422886 563931369 /nfs/dbraw/zinc/93/13/69/563931369.db2.gz QCSBOGZHVZDIJQ-INIZCTEOSA-N 1 0 317.360 3.543 50 0 DHAARO C[C@H]([NH2+]Cc1ccccc1OCCO)c1cc2ccccc2o1 ZINC000095423122 563931447 /nfs/dbraw/zinc/93/14/47/563931447.db2.gz MGRRBOOXDIUZEJ-AWEZNQCLSA-N 1 0 311.381 3.655 50 0 DHAARO C[C@@H](c1ccncc1)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000095957594 563932365 /nfs/dbraw/zinc/93/23/65/563932365.db2.gz JZNOIMYYVJHBNU-KRWDZBQOSA-N 1 0 321.468 3.917 50 0 DHAARO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cnc2ccsc2c1 ZINC000095968308 563933132 /nfs/dbraw/zinc/93/31/32/563933132.db2.gz LUBMEQVMYMOYGR-BZNIZROVSA-N 1 0 318.467 3.916 50 0 DHAARO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c2ccccc12 ZINC000095968451 563933197 /nfs/dbraw/zinc/93/31/97/563933197.db2.gz RXBGKKFICYEPCW-KBPBESRZSA-N 1 0 309.413 3.994 50 0 DHAARO CC(C)C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccccn1 ZINC000095968341 563933264 /nfs/dbraw/zinc/93/32/64/563933264.db2.gz KBCQHUNGCXEDIW-SJORKVTESA-N 1 0 304.459 3.728 50 0 DHAARO CCC1=NO[C@@H](C[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)C1 ZINC000095977350 563933633 /nfs/dbraw/zinc/93/36/33/563933633.db2.gz LSHQQKJICJYOKE-LJQANCHMSA-N 1 0 316.445 3.702 50 0 DHAARO C[S@@](=O)c1ccc(C[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000095982506 563933822 /nfs/dbraw/zinc/93/38/22/563933822.db2.gz JJDLLPJAPKCDCP-QFIPXVFZSA-N 1 0 317.454 3.962 50 0 DHAARO COc1cccc2cc([C@H](C)[NH2+]C[C@H](O)c3ccsc3)oc21 ZINC000095987935 563934111 /nfs/dbraw/zinc/93/41/11/563934111.db2.gz ZQAYESOMJXWIAK-FZMZJTMJSA-N 1 0 317.410 3.887 50 0 DHAARO C[C@@H]([NH2+]CCCO)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000096014122 563934817 /nfs/dbraw/zinc/93/48/17/563934817.db2.gz DSWGQZXWQWRYCO-SECBINFHSA-N 1 0 314.813 3.636 50 0 DHAARO CCCNc1nnc(SCC[NH+](CCC)CCC)s1 ZINC000096010392 563934922 /nfs/dbraw/zinc/93/49/22/563934922.db2.gz BRTXDNQWJJGNNH-UHFFFAOYSA-N 1 0 302.513 3.574 50 0 DHAARO O=C(Nc1ccccc1)OCCC[NH+]1CC2CCC(CC2)C1 ZINC000096027329 563935066 /nfs/dbraw/zinc/93/50/66/563935066.db2.gz KEVVQCUGMZLESC-UHFFFAOYSA-N 1 0 302.418 3.747 50 0 DHAARO C[C@H](NCc1nc2ccccc2o1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491043 563937400 /nfs/dbraw/zinc/93/74/00/563937400.db2.gz VSFMMTCENBNVBB-LBPRGKRZSA-N 1 0 321.380 3.563 50 0 DHAARO CS[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000096478661 563937464 /nfs/dbraw/zinc/93/74/64/563937464.db2.gz HQJSCWFTKZSBSR-ZWKOTPCHSA-N 1 0 304.503 3.525 50 0 DHAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]Cc1cccnc1 ZINC000097159732 563937780 /nfs/dbraw/zinc/93/77/80/563937780.db2.gz RQLUBYQHKKREMQ-UHFFFAOYSA-N 1 0 304.353 3.508 50 0 DHAARO CN(C)c1cc[nH+]cc1CNCc1csc(-c2ccccc2)n1 ZINC000097115674 563937840 /nfs/dbraw/zinc/93/78/40/563937840.db2.gz NZGQJCQXYOHZOX-UHFFFAOYSA-N 1 0 324.453 3.561 50 0 DHAARO CCOP(=O)(OCC)[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000027988355 563938267 /nfs/dbraw/zinc/93/82/67/563938267.db2.gz BOKQGHLFCVACJW-IHXHZNKUSA-N 1 0 301.367 3.754 50 0 DHAARO CSc1ccccc1NC(=O)C[N@H+](C)CC1CCCCC1 ZINC000031038445 563944102 /nfs/dbraw/zinc/94/41/02/563944102.db2.gz CWADPYPOGWBTPK-UHFFFAOYSA-N 1 0 306.475 3.859 50 0 DHAARO C[C@@H]([NH2+]C1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008038445 563946274 /nfs/dbraw/zinc/94/62/74/563946274.db2.gz GBONJHDFOWMOHZ-SECBINFHSA-N 1 0 301.217 3.853 50 0 DHAARO CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)nn2CCc2ccccc2)C1 ZINC000670467775 563946746 /nfs/dbraw/zinc/94/67/46/563946746.db2.gz RMFBVJJUMXZNEB-GOSISDBHSA-N 1 0 324.472 3.598 50 0 DHAARO CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000008267421 563947352 /nfs/dbraw/zinc/94/73/52/563947352.db2.gz WLKDIYJMYUEKKD-HZPDHXFCSA-N 1 0 316.445 3.536 50 0 DHAARO CCCCn1ncnc1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000670471174 563948682 /nfs/dbraw/zinc/94/86/82/563948682.db2.gz GDMKBZSRRABPTL-UHFFFAOYSA-N 1 0 312.461 3.533 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)CCCCCC2 ZINC000068711312 563951213 /nfs/dbraw/zinc/95/12/13/563951213.db2.gz UUWYEOJMPVQIMQ-OAHLLOKOSA-N 1 0 320.502 3.621 50 0 DHAARO Oc1cccc(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)c1 ZINC000069453324 563953076 /nfs/dbraw/zinc/95/30/76/563953076.db2.gz YVCFCKJSZXPDNA-UHFFFAOYSA-N 1 0 320.392 3.656 50 0 DHAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)Nc1ccc(F)cc1 ZINC000069593491 563953718 /nfs/dbraw/zinc/95/37/18/563953718.db2.gz WVYPCPOGFCBYFR-INIZCTEOSA-N 1 0 312.388 3.644 50 0 DHAARO CC[N@@H+](Cc1csc(-c2ccccc2F)n1)C[C@H]1CCOC1 ZINC000069595341 563953818 /nfs/dbraw/zinc/95/38/18/563953818.db2.gz LEMFZXKIVUNZNJ-CYBMUJFWSA-N 1 0 320.433 3.808 50 0 DHAARO Cc1ccc(NC(=O)CN(C)[C@H](C)c2cccs2)c(F)c1 ZINC000009446096 563956004 /nfs/dbraw/zinc/95/60/04/563956004.db2.gz HXVHSEWJGGINEH-GFCCVEGCSA-N 1 0 306.406 3.827 50 0 DHAARO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C)o3)ccc2NC1=O ZINC000174138695 563956519 /nfs/dbraw/zinc/95/65/19/563956519.db2.gz RADOCNDIDVTTEV-BLLLJJGKSA-N 1 0 314.385 3.548 50 0 DHAARO Cn1cc([C@H]2CCCN2Cc2csc(C(C)(C)C)n2)cn1 ZINC000071797211 563958557 /nfs/dbraw/zinc/95/85/57/563958557.db2.gz SPOUTHROMIIPFC-CQSZACIVSA-N 1 0 304.463 3.511 50 0 DHAARO O[C@@H](C[N@H+](Cc1ccco1)C1CCCC1)c1ccc(F)cc1 ZINC000071810999 563958770 /nfs/dbraw/zinc/95/87/70/563958770.db2.gz FOPPUUIYQVRUFM-SFHVURJKSA-N 1 0 303.377 3.897 50 0 DHAARO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000071844054 563959304 /nfs/dbraw/zinc/95/93/04/563959304.db2.gz DFRMMUMHXXUGPK-QKLQHJQFSA-N 1 0 322.452 3.742 50 0 DHAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000078553181 563961221 /nfs/dbraw/zinc/96/12/21/563961221.db2.gz ZFLLQRUSPLRTHV-ZDUSSCGKSA-N 1 0 301.434 3.675 50 0 DHAARO CC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)CO)cc1 ZINC000063882994 568413195 /nfs/dbraw/zinc/41/31/95/568413195.db2.gz IPRKDWGBVVWHQW-MRXNPFEDSA-N 1 0 311.425 3.520 50 0 DHAARO C[C@@H](c1cccc(-c2nccn2CCc2ccccn2)c1)[NH+](C)C ZINC000067447070 568413467 /nfs/dbraw/zinc/41/34/67/568413467.db2.gz OADKLFFAUSWJGQ-INIZCTEOSA-N 1 0 320.440 3.810 50 0 DHAARO Cc1ccc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000089633226 568420285 /nfs/dbraw/zinc/42/02/85/568420285.db2.gz AOCYPHLCTCQHHF-ROUUACIJSA-N 1 0 324.468 3.611 50 0 DHAARO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000022023172 1013607881 /nfs/dbraw/zinc/60/78/81/1013607881.db2.gz ARVCRDQDIBPFMH-LJQANCHMSA-N 1 0 309.413 3.767 50 0 DHAARO Cc1cc2cc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)ccc2o1 ZINC000952860051 1032665268 /nfs/dbraw/zinc/66/52/68/1032665268.db2.gz AYOZUCKDSZZBRO-INIZCTEOSA-N 1 0 300.402 3.944 50 0 DHAARO Cc1c(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)[nH]c2ccccc12 ZINC000952963650 1032672205 /nfs/dbraw/zinc/67/22/05/1032672205.db2.gz LGHPHKBNNMDDJF-SFHVURJKSA-N 1 0 310.445 3.877 50 0 DHAARO CCc1ccc(C[NH2+]C2CCN(c3cccc(C)c3)CC2)nc1 ZINC000952980478 1032679358 /nfs/dbraw/zinc/67/93/58/1032679358.db2.gz QTZKJEDTVIGNRB-UHFFFAOYSA-N 1 0 309.457 3.711 50 0 DHAARO Cc1ccc(N2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)cc1Cl ZINC000952968357 1032679729 /nfs/dbraw/zinc/67/97/29/1032679729.db2.gz MPDOKEHKMREHGP-CZIWCDLHSA-N 1 0 322.880 3.510 50 0 DHAARO CCN1CCCC[C@@H]1C[NH2+]Cc1[nH]c2ccccc2c1Cl ZINC000952984940 1032681694 /nfs/dbraw/zinc/68/16/94/1032681694.db2.gz YXRAYZIUQFOMLL-CYBMUJFWSA-N 1 0 305.853 3.785 50 0 DHAARO CCc1ccc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)nc1 ZINC000952985227 1032682057 /nfs/dbraw/zinc/68/20/57/1032682057.db2.gz ABGAIPXUHZFAMP-GOSISDBHSA-N 1 0 316.470 3.651 50 0 DHAARO CCc1ccc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)nc1 ZINC000952985250 1032682084 /nfs/dbraw/zinc/68/20/84/1032682084.db2.gz ABGAIPXUHZFAMP-SFHVURJKSA-N 1 0 316.470 3.651 50 0 DHAARO Clc1cccnc1OC1CCC([NH2+]Cc2ccncc2)CC1 ZINC000186513496 1017368333 /nfs/dbraw/zinc/36/83/33/1017368333.db2.gz XLHZEJCAHYKAOK-UHFFFAOYSA-N 1 0 317.820 3.610 50 0 DHAARO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(C(N)=O)cc2)o1 ZINC000076120594 1017377392 /nfs/dbraw/zinc/37/73/92/1017377392.db2.gz WJDJWQUPNWNYDY-DYVFJYSZSA-N 1 0 312.413 3.660 50 0 DHAARO Cc1cc(C(=O)NCc2[nH+]c(C)n3ccccc23)c(C)n1C(C)C ZINC000089575566 1032775597 /nfs/dbraw/zinc/77/55/97/1032775597.db2.gz DLZCEQXPBSKKRN-UHFFFAOYSA-N 1 0 324.428 3.572 50 0 DHAARO COc1ccc([C@@H]2C[C@@H](n3ccnc3)ON2c2ccccc2)cc1 ZINC000039414199 1018617617 /nfs/dbraw/zinc/61/76/17/1018617617.db2.gz AFTAGWUIMKVNOV-OALUTQOASA-N 1 0 321.380 3.974 50 0 DHAARO CCC[N@@H+](Cc1nc(-c2ccoc2)oc1C)C[C@@H]1CCCO1 ZINC000011933976 1019583023 /nfs/dbraw/zinc/58/30/23/1019583023.db2.gz HMDGQQUSQRRGKL-HNNXBMFYSA-N 1 0 304.390 3.634 50 0 DHAARO Cc1ccccc1C[C@]1(CO)CCC[N@@H+](C2CCSCC2)C1 ZINC000012021735 1019736277 /nfs/dbraw/zinc/73/62/77/1019736277.db2.gz MPEPNKXVGNMTIM-LJQANCHMSA-N 1 0 319.514 3.508 50 0 DHAARO CC(C)(C)C[N@@H+]1CC[C@@H](C2CCN(Cc3nccs3)CC2)C1 ZINC000012459468 1019949364 /nfs/dbraw/zinc/94/93/64/1019949364.db2.gz YPLOIUQPISUWDV-MRXNPFEDSA-N 1 0 321.534 3.723 50 0 DHAARO C[C@@H](Cc1cccs1)NC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000821772402 1020271786 /nfs/dbraw/zinc/27/17/86/1020271786.db2.gz BDVLURXVKJMGMY-HNNXBMFYSA-N 1 0 320.502 3.594 50 0 DHAARO C/C(=C/c1ccccc1)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000095982481 1020372302 /nfs/dbraw/zinc/37/23/02/1020372302.db2.gz HDOVESGUQQRNLC-QINSGFPZSA-N 1 0 312.379 3.660 50 0 DHAARO Cn1ccc2cc(C[N@H+](C)CC[C@@H](O)c3ccccc3)ccc21 ZINC000823709313 1020444784 /nfs/dbraw/zinc/44/47/84/1020444784.db2.gz XKZUZOYKLYXCAX-HXUWFJFHSA-N 1 0 308.425 3.734 50 0 DHAARO COc1ccc(C[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000023280654 1020472705 /nfs/dbraw/zinc/47/27/05/1020472705.db2.gz DLSOTLCAYZNDAW-OAHLLOKOSA-N 1 0 311.425 3.693 50 0 DHAARO CCCC[NH2+]CCCCOc1ccccc1Br ZINC000002898047 1020497300 /nfs/dbraw/zinc/49/73/00/1020497300.db2.gz SRHVQIALHPOQMM-UHFFFAOYSA-N 1 0 300.240 3.998 50 0 DHAARO COc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc(OC)c1 ZINC000824550909 1020574909 /nfs/dbraw/zinc/57/49/09/1020574909.db2.gz LZJUPRIMJMRGJI-IBGZPJMESA-N 1 0 312.413 3.826 50 0 DHAARO Cc1cnc(C2CC2)n1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000575547596 1020976296 /nfs/dbraw/zinc/97/62/96/1020976296.db2.gz KLWJFKKXXREIBO-GOSISDBHSA-N 1 0 309.457 3.981 50 0 DHAARO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000002498497 1021107008 /nfs/dbraw/zinc/10/70/08/1021107008.db2.gz SGQHRGPXIXKVER-XLIONFOSSA-N 1 0 300.490 3.862 50 0 DHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)NC2CCCC2)CC1 ZINC000581787908 1021836122 /nfs/dbraw/zinc/83/61/22/1021836122.db2.gz JBGRQVBTQGBXOR-SFHVURJKSA-N 1 0 321.509 3.615 50 0 DHAARO CCCC(=O)N1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257191994 1022255728 /nfs/dbraw/zinc/25/57/28/1022255728.db2.gz SDXJUKHJGJDULC-IBGZPJMESA-N 1 0 314.473 3.861 50 0 DHAARO CC(C)Cn1nc([C@@H]2CCCC[N@@H+]2CC(C)C)c2c1CCOC2 ZINC000675012087 1022742634 /nfs/dbraw/zinc/74/26/34/1022742634.db2.gz WYXZOVPFQIYNFI-SFHVURJKSA-N 1 0 319.493 3.795 50 0 DHAARO c1cc(C[NH+]2CCC(CCc3noc(C4CC4)n3)CC2)cs1 ZINC000675018936 1022750917 /nfs/dbraw/zinc/75/09/17/1022750917.db2.gz GIAUADITVHXAFN-UHFFFAOYSA-N 1 0 317.458 3.853 50 0 DHAARO Cc1ccccc1CN1C(=O)CC[C@H]1CC[NH2+]Cc1ccccc1 ZINC000014879797 1023268852 /nfs/dbraw/zinc/26/88/52/1023268852.db2.gz OJAKOFWRBNSKAI-FQEVSTJZSA-N 1 0 322.452 3.666 50 0 DHAARO c1ccc(-c2cnc(-c3ccncc3)nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000299770631 1023301001 /nfs/dbraw/zinc/30/10/01/1023301001.db2.gz XHWXZLGXVMERTN-KRWDZBQOSA-N 1 0 316.408 3.673 50 0 DHAARO Clc1c2ccccc2sc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044687549 1023502396 /nfs/dbraw/zinc/50/23/96/1023502396.db2.gz ZXCODEHKCNNVPY-LLVKDONJSA-N 1 0 306.862 3.881 50 0 DHAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc2cccnc21 ZINC000048354031 1023735393 /nfs/dbraw/zinc/73/53/93/1023735393.db2.gz YSEDTRIIHSNJFJ-SZMVWBNQSA-N 1 0 324.424 3.541 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1ccc(N2CCNC2=O)cc1 ZINC000786924868 1024256925 /nfs/dbraw/zinc/25/69/25/1024256925.db2.gz AWJDSKGODOJBCP-WMLDXEAASA-N 1 0 313.445 3.590 50 0 DHAARO CCCCN1C(=O)C(C)=C(C)[C@H]1[NH2+][C@H](C)CCc1ccccc1 ZINC000012353991 1024502237 /nfs/dbraw/zinc/50/22/37/1024502237.db2.gz XSCSLSHNONYAPT-BEFAXECRSA-N 1 0 314.473 3.902 50 0 DHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)on1 ZINC000216061621 1024526812 /nfs/dbraw/zinc/52/68/12/1024526812.db2.gz YFVRTEQCNISXPA-KRWDZBQOSA-N 1 0 308.385 3.506 50 0 DHAARO COCCCC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000215774803 1025179056 /nfs/dbraw/zinc/17/90/56/1025179056.db2.gz AMJFLVHUMOUOCQ-UHFFFAOYSA-N 1 0 313.388 3.927 50 0 DHAARO CC[C@@H](NC(=O)CC[NH+]1CCCCCCC1)c1cc(C)ccn1 ZINC000243902066 1025644083 /nfs/dbraw/zinc/64/40/83/1025644083.db2.gz BFPDYQKPUWPLNI-QGZVFWFLSA-N 1 0 317.477 3.614 50 0 DHAARO O=C(Nc1ccccc1)c1ccccc1O[C@@]12CC[N@H+](C1)CCC2 ZINC000067975056 1025650258 /nfs/dbraw/zinc/65/02/58/1025650258.db2.gz LLOOVJAFGGBJMP-FQEVSTJZSA-N 1 0 322.408 3.556 50 0 DHAARO CCOCn1c[n+](Cc2ccc(Cl)cc2)c2ccccc21 ZINC000252507881 1026156443 /nfs/dbraw/zinc/15/64/43/1026156443.db2.gz WVWHLLWXJQROKT-UHFFFAOYSA-N 1 0 301.797 3.625 50 0 DHAARO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CCC[N@@H+](C)C1 ZINC000075566889 1028522483 /nfs/dbraw/zinc/52/24/83/1028522483.db2.gz KKCQMLNDLYNVFH-UHFFFAOYSA-N 1 0 319.452 3.965 50 0 DHAARO COCc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)o1 ZINC000131414291 1028547220 /nfs/dbraw/zinc/54/72/20/1028547220.db2.gz QHNVDRHQCQQKOF-KRWDZBQOSA-N 1 0 319.376 3.781 50 0 DHAARO CC(C)c1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)n1 ZINC000131623827 1028579388 /nfs/dbraw/zinc/57/93/88/1028579388.db2.gz LMAPLHHMRTVZCD-FQEVSTJZSA-N 1 0 310.441 3.687 50 0 DHAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000138641027 1035098856 /nfs/dbraw/zinc/09/88/56/1035098856.db2.gz PHDCCNHDMFKQIP-HOCLYGCPSA-N 1 0 319.445 3.867 50 0 DHAARO C[C@H](C(=O)N1CCC[C@H]1c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000221865784 1037860517 /nfs/dbraw/zinc/86/05/17/1037860517.db2.gz AGSKPWPTCXZGGR-ZYSHUDEJSA-N 1 0 308.425 3.686 50 0 DHAARO OCc1cccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC000237988667 1037958336 /nfs/dbraw/zinc/95/83/36/1037958336.db2.gz YYUSQXAIUXOCRP-UHFFFAOYSA-N 1 0 311.425 3.790 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)[C@](C)(O)c1ccccc1 ZINC000850475562 1037964636 /nfs/dbraw/zinc/96/46/36/1037964636.db2.gz ACQJIUBQAUOUBA-JCGVRSQUSA-N 1 0 320.383 3.966 50 0 DHAARO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccncc1 ZINC000152530332 1039000838 /nfs/dbraw/zinc/00/08/38/1039000838.db2.gz PMWVOECNYIDDLZ-GPWPYBQESA-N 1 0 321.424 3.565 50 0 DHAARO COC(=O)[C@@H](CC(C)C)c1[nH]c2ccc(Cl)cc2c1CC[NH3+] ZINC000077024444 185071210 /nfs/dbraw/zinc/07/12/10/185071210.db2.gz KTQKKWAVSTUTAU-AWEZNQCLSA-N 1 0 322.836 3.625 50 0 DHAARO CSC1(C[NH2+][C@H]2CCCOc3cc(C)ccc32)CCOCC1 ZINC000090113270 185282731 /nfs/dbraw/zinc/28/27/31/185282731.db2.gz LYAYZAFAGWFWLF-INIZCTEOSA-N 1 0 321.486 3.711 50 0 DHAARO CCC[C@@H]1CN(Cc2cncn2C2CCCCC2)C[C@H]1[NH+](C)C ZINC000082121387 192359454 /nfs/dbraw/zinc/35/94/54/192359454.db2.gz GQJSIUHZCTVDBA-VQIMIIECSA-N 1 0 318.509 3.550 50 0 DHAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000095404426 185355323 /nfs/dbraw/zinc/35/53/23/185355323.db2.gz KBXOZDKGSSXJRM-UONOGXRCSA-N 1 0 304.434 3.581 50 0 DHAARO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCCC1)c1ccccc1 ZINC000095404423 185355462 /nfs/dbraw/zinc/35/54/62/185355462.db2.gz JZUWJAHQMDUHSO-XHSDSOJGSA-N 1 0 302.462 3.811 50 0 DHAARO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000095412235 185357789 /nfs/dbraw/zinc/35/77/89/185357789.db2.gz BDAZJIGDUJILSX-GOSISDBHSA-N 1 0 323.440 3.522 50 0 DHAARO Cc1csc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000095413241 185358014 /nfs/dbraw/zinc/35/80/14/185358014.db2.gz PDCDDWPMQCJPNE-CABCVRRESA-N 1 0 320.458 3.913 50 0 DHAARO c1csc(CCCC[NH2+]Cc2cnc(C3CCC3)s2)n1 ZINC000095415481 185358668 /nfs/dbraw/zinc/35/86/68/185358668.db2.gz XIUIBGZLKDWLMK-UHFFFAOYSA-N 1 0 307.488 3.980 50 0 DHAARO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCc2csc(C)n2)cc1 ZINC000095419969 185360026 /nfs/dbraw/zinc/36/00/26/185360026.db2.gz IDQRGRWYHBZGDT-QWHCGFSZSA-N 1 0 304.459 3.784 50 0 DHAARO c1cnn(-c2cc(C[NH2+][C@H]3CCSc4ccccc43)ccn2)c1 ZINC000095420077 185360140 /nfs/dbraw/zinc/36/01/40/185360140.db2.gz FHLWWHHLXFSYMM-INIZCTEOSA-N 1 0 322.437 3.594 50 0 DHAARO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000095419768 185360199 /nfs/dbraw/zinc/36/01/99/185360199.db2.gz DQCIZZWITCJFQV-KRWDZBQOSA-N 1 0 324.453 3.555 50 0 DHAARO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(SC(F)F)cc1 ZINC000095420641 185360297 /nfs/dbraw/zinc/36/02/97/185360297.db2.gz UOSMUIZPOYMBKM-NSHDSACASA-N 1 0 311.401 3.628 50 0 DHAARO COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)cc1 ZINC000095420670 185360487 /nfs/dbraw/zinc/36/04/87/185360487.db2.gz UYZDLQLXRPTSJH-MRXNPFEDSA-N 1 0 321.424 3.791 50 0 DHAARO C[C@@H]1C[C@@H](Nc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000095452117 185369326 /nfs/dbraw/zinc/36/93/26/185369326.db2.gz SGVXBJWPYAYGBX-CRAIPNDOSA-N 1 0 324.424 3.533 50 0 DHAARO C[C@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CCn1cccn1 ZINC000095459795 185370599 /nfs/dbraw/zinc/37/05/99/185370599.db2.gz NPHSGKBUVYNAEZ-MRXNPFEDSA-N 1 0 306.413 3.638 50 0 DHAARO Cc1sc2ncnc(NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)c2c1C ZINC000227886696 201808237 /nfs/dbraw/zinc/80/82/37/201808237.db2.gz PDLMYBBSGDMRDG-VXGBXAGGSA-N 1 0 318.490 3.840 50 0 DHAARO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000170621407 197793006 /nfs/dbraw/zinc/79/30/06/197793006.db2.gz MCIITRZBDQVJDK-KBXCAEBGSA-N 1 0 314.404 3.825 50 0 DHAARO C[C@H](c1ccc(F)cc1)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000170621408 197793133 /nfs/dbraw/zinc/79/31/33/197793133.db2.gz MCIITRZBDQVJDK-RDTXWAMCSA-N 1 0 314.404 3.825 50 0 DHAARO C[NH+](C)[C@@H](CNc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000083847799 192386778 /nfs/dbraw/zinc/38/67/78/192386778.db2.gz FYXQIPPCNDQODQ-QMMMGPOBSA-N 1 0 321.393 3.938 50 0 DHAARO OCc1ccc(C[NH2+][C@@H]2CCCOc3c4ccccc4ccc32)o1 ZINC000084056013 192397350 /nfs/dbraw/zinc/39/73/50/192397350.db2.gz VRPKWUSLEYZSAY-LJQANCHMSA-N 1 0 323.392 3.929 50 0 DHAARO Cn1c(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)nnc1C1CCC1 ZINC000133668546 186005560 /nfs/dbraw/zinc/00/55/60/186005560.db2.gz WRYWXIHDQRCXCU-DLBZAZTESA-N 1 0 310.445 3.509 50 0 DHAARO Fc1ccccc1OC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072145803 191053789 /nfs/dbraw/zinc/05/37/89/191053789.db2.gz KZKXPPIPHCSEHZ-MRXNPFEDSA-N 1 0 300.377 3.512 50 0 DHAARO Cc1ccsc1C[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000072161531 191062260 /nfs/dbraw/zinc/06/22/60/191062260.db2.gz JAASAHDYKHAYHE-INIZCTEOSA-N 1 0 302.443 3.633 50 0 DHAARO c1cc2ccc(NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)nc2[nH]1 ZINC000072168623 191068225 /nfs/dbraw/zinc/06/82/25/191068225.db2.gz KYMFNMBYIXJZIT-SFHVURJKSA-N 1 0 320.440 3.854 50 0 DHAARO Fc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccnc2)cc1 ZINC000072243078 191085861 /nfs/dbraw/zinc/08/58/61/191085861.db2.gz BUACVYVZCPTOTJ-GOSISDBHSA-N 1 0 322.387 3.574 50 0 DHAARO Clc1ccccc1C1(c2ccnc(C3CC3)n2)CC[NH2+]CC1 ZINC000072409031 191154464 /nfs/dbraw/zinc/15/44/64/191154464.db2.gz IWQFWQKMQXFWNK-UHFFFAOYSA-N 1 0 313.832 3.677 50 0 DHAARO C[NH+](C)CCCC1(O)c2ccccc2C2(CC2)c2ccccc21 ZINC000000968713 180838077 /nfs/dbraw/zinc/83/80/77/180838077.db2.gz YSWCZXBYRWCEOE-UHFFFAOYSA-N 1 0 307.437 3.658 50 0 DHAARO C[NH+](C)CCCNC(=O)c1cc2sc3ccccc3c2s1 ZINC000003183308 180989823 /nfs/dbraw/zinc/98/98/23/180989823.db2.gz JKHAICNBAJGKSQ-UHFFFAOYSA-N 1 0 318.467 3.798 50 0 DHAARO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000003433047 181018729 /nfs/dbraw/zinc/01/87/29/181018729.db2.gz OCJZNINREPTWQG-UHFFFAOYSA-N 1 0 324.852 3.860 50 0 DHAARO C[C@@H]1C(c2cccs2)[N+](=O)[C@](C)(c2ccc(Cl)cc2)N1O ZINC000004314950 181096577 /nfs/dbraw/zinc/09/65/77/181096577.db2.gz PNYRXTISNSZHDQ-MEBBXXQBSA-N 1 0 322.817 3.667 50 0 DHAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000004551677 181123924 /nfs/dbraw/zinc/12/39/24/181123924.db2.gz JTFFNEAFDCSHOJ-UHFFFAOYSA-N 1 0 314.473 3.738 50 0 DHAARO O=C(NC1CCCCCC1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004676418 181135475 /nfs/dbraw/zinc/13/54/75/181135475.db2.gz VVHWMOMLDSTZPP-QGZVFWFLSA-N 1 0 318.505 3.894 50 0 DHAARO COc1ccc2ccccc2c1C[N@H+](CCO)Cc1ccccc1 ZINC000004695072 181137695 /nfs/dbraw/zinc/13/76/95/181137695.db2.gz DBECUXZDBITYMN-UHFFFAOYSA-N 1 0 321.420 3.843 50 0 DHAARO CCC[C@](O)(CC[NH+]1CCCCC1)c1ccc(OCC)cc1 ZINC000004716295 181141462 /nfs/dbraw/zinc/14/14/62/181141462.db2.gz YOQFXMGOEPNAED-IBGZPJMESA-N 1 0 305.462 3.949 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000004906508 181171207 /nfs/dbraw/zinc/17/12/07/181171207.db2.gz ASINSSNRTKKCSK-BETUJISGSA-N 1 0 312.251 3.806 50 0 DHAARO CC[NH+](CC)CCNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000004981267 181183413 /nfs/dbraw/zinc/18/34/13/181183413.db2.gz YZZGEZJZTYYZGG-UHFFFAOYSA-N 1 0 317.824 3.518 50 0 DHAARO Nc1cc(N)[nH+]c(SCc2ccccc2Oc2ccccc2)n1 ZINC000005229342 181218752 /nfs/dbraw/zinc/21/87/52/181218752.db2.gz YXRNOJJIURRYHB-UHFFFAOYSA-N 1 0 324.409 3.726 50 0 DHAARO CCC(C)(C)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(C(F)(F)F)c1 ZINC000005818907 181287309 /nfs/dbraw/zinc/28/73/09/181287309.db2.gz KGOIKOVSEVRHNH-NSHDSACASA-N 1 0 324.774 3.753 50 0 in-vitro DHAARO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(Nc3ccccc3)c12 ZINC000006660816 181366393 /nfs/dbraw/zinc/36/63/93/181366393.db2.gz ZEIYLLYILJYKTK-UHFFFAOYSA-N 1 0 323.444 3.743 50 0 DHAARO c1ccc(COc2cccc(C[NH2+]Cc3ccccn3)c2)cc1 ZINC000006701289 181372972 /nfs/dbraw/zinc/37/29/72/181372972.db2.gz NVSDZCJGIXNAFM-UHFFFAOYSA-N 1 0 304.393 3.950 50 0 DHAARO CCC[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000006730438 181378195 /nfs/dbraw/zinc/37/81/95/181378195.db2.gz ITRBHSDHGQXVDQ-UHFFFAOYSA-N 1 0 316.232 3.553 50 0 DHAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC000091440811 193056284 /nfs/dbraw/zinc/05/62/84/193056284.db2.gz YRDWFMPINBOEPX-RBUKOAKNSA-N 1 0 322.452 3.673 50 0 DHAARO Cc1ccc(-c2ccccc2-c2cn([C@@H](C)C[NH+](C)C)nn2)o1 ZINC000091643816 193084002 /nfs/dbraw/zinc/08/40/02/193084002.db2.gz SCISLNTZEPQPMS-ZDUSSCGKSA-N 1 0 310.401 3.636 50 0 DHAARO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000093712567 193297397 /nfs/dbraw/zinc/29/73/97/193297397.db2.gz QEGKOSRYVOUKCH-OAQYLSRUSA-N 1 0 305.418 3.504 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1cccc(Br)c1 ZINC000095996212 193484810 /nfs/dbraw/zinc/48/48/10/193484810.db2.gz KAOMJMHNIJXKMG-QWHCGFSZSA-N 1 0 322.250 3.775 50 0 DHAARO C[C@@H](c1cccc(-c2ccc3c(c2)NC(=O)CO3)c1)[NH+]1CCCC1 ZINC000096160713 193557639 /nfs/dbraw/zinc/55/76/39/193557639.db2.gz LGVJSEYWXLREMJ-AWEZNQCLSA-N 1 0 322.408 3.841 50 0 DHAARO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc([S@](C)=O)cc1 ZINC000096477394 193662064 /nfs/dbraw/zinc/66/20/64/193662064.db2.gz GVABNABXBHEWNY-RCDICMHDSA-N 1 0 319.445 3.847 50 0 DHAARO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1ccncc1 ZINC000096478337 193663422 /nfs/dbraw/zinc/66/34/22/193663422.db2.gz UEZIAWQSUQRXAG-DYVFJYSZSA-N 1 0 300.402 3.901 50 0 DHAARO CC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008717275 181578093 /nfs/dbraw/zinc/57/80/93/181578093.db2.gz JYBZIMSMLYVLOK-LBPRGKRZSA-N 1 0 312.413 3.826 50 0 DHAARO Cc1c2ccccc2oc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012274852 181745276 /nfs/dbraw/zinc/74/52/76/181745276.db2.gz DBNUVQZYXKYSCR-UHFFFAOYSA-N 1 0 314.429 3.780 50 0 DHAARO COc1ccc(-n2c(-c3ccccc3)c[n+]3ccccc23)cc1 ZINC000012558280 181776822 /nfs/dbraw/zinc/77/68/22/181776822.db2.gz LBGMIBSJGUQDMZ-UHFFFAOYSA-N 1 0 301.369 3.892 50 0 DHAARO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(-c2nc[nH]n2)c1 ZINC000097230750 193695478 /nfs/dbraw/zinc/69/54/78/193695478.db2.gz MBHLHNKJWUQDCY-SFHVURJKSA-N 1 0 322.387 3.778 50 0 DHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837126 182020269 /nfs/dbraw/zinc/02/02/69/182020269.db2.gz YNBXRJRBPVHRJA-GOSISDBHSA-N 1 0 313.372 3.949 50 0 DHAARO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000016346567 182041763 /nfs/dbraw/zinc/04/17/63/182041763.db2.gz DNTMWZRVBNXDIU-GJZGRUSLSA-N 1 0 316.470 3.754 50 0 DHAARO Cc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)cc1 ZINC000016739315 182059566 /nfs/dbraw/zinc/05/95/66/182059566.db2.gz LWIPPCWZUCNHCH-NRFANRHFSA-N 1 0 321.444 3.645 50 0 DHAARO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CSCCSC1 ZINC000019145703 182106084 /nfs/dbraw/zinc/10/60/84/182106084.db2.gz FLJPLFOSQFCXTC-CQSZACIVSA-N 1 0 311.516 3.509 50 0 DHAARO Clc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019537391 182129358 /nfs/dbraw/zinc/12/93/58/182129358.db2.gz NYHLRHXPYWIJDJ-UHFFFAOYSA-N 1 0 300.833 3.658 50 0 DHAARO COc1ccc(CC[NH2+]Cc2cccc(Br)c2)cc1 ZINC000019720795 182138743 /nfs/dbraw/zinc/13/87/43/182138743.db2.gz DAKZUNJUEJCHNM-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO CCOc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019842300 182155558 /nfs/dbraw/zinc/15/55/58/182155558.db2.gz IFKBWBBKZKEALA-IEBWSBKVSA-N 1 0 316.489 3.782 50 0 DHAARO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000019798464 182150771 /nfs/dbraw/zinc/15/07/71/182150771.db2.gz LJHWMEFOWPATJQ-UXHICEINSA-N 1 0 323.436 3.855 50 0 DHAARO COc1ccc(CC[NH2+]Cc2c(F)cccc2Cl)cc1OC ZINC000019823786 182154372 /nfs/dbraw/zinc/15/43/72/182154372.db2.gz QURRJKUYWQJELC-UHFFFAOYSA-N 1 0 323.795 3.829 50 0 DHAARO Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000020102901 182187012 /nfs/dbraw/zinc/18/70/12/182187012.db2.gz GVSOICCNHVKRLM-UHFFFAOYSA-N 1 0 314.473 3.656 50 0 DHAARO c1coc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)c1 ZINC000020512218 182225768 /nfs/dbraw/zinc/22/57/68/182225768.db2.gz HGAHWGBYEUHTJM-QGZVFWFLSA-N 1 0 321.424 3.973 50 0 DHAARO C[N@H+](Cc1cccs1)C[C@]1(c2ccc(F)cc2)CCOC1 ZINC000020515716 182226770 /nfs/dbraw/zinc/22/67/70/182226770.db2.gz LSBHSDZKPNDBSV-QGZVFWFLSA-N 1 0 305.418 3.677 50 0 DHAARO Fc1ccccc1CC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000020535284 182228212 /nfs/dbraw/zinc/22/82/12/182228212.db2.gz PGPRWVXYQNHMCG-UHFFFAOYSA-N 1 0 304.453 3.566 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000020595089 182235426 /nfs/dbraw/zinc/23/54/26/182235426.db2.gz YXCZZFRJVUTLNW-UHFFFAOYSA-N 1 0 315.244 3.598 50 0 DHAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000021212750 182269104 /nfs/dbraw/zinc/26/91/04/182269104.db2.gz UWEVXLKPQIEOBG-UHFFFAOYSA-N 1 0 320.820 3.672 50 0 DHAARO Fc1ccc([C@H](c2ccc(Cl)cc2)N2CC[NH2+]CC2)c(F)c1 ZINC000022115520 182309293 /nfs/dbraw/zinc/30/92/93/182309293.db2.gz UNODNQKDSIXHCK-KRWDZBQOSA-N 1 0 322.786 3.613 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccoc1)c1ccccc1Cl ZINC000022681879 182330619 /nfs/dbraw/zinc/33/06/19/182330619.db2.gz GKNRJLUYECNCCB-MRXNPFEDSA-N 1 0 320.820 3.746 50 0 DHAARO C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)c1ccccc1 ZINC000023280600 182355495 /nfs/dbraw/zinc/35/54/95/182355495.db2.gz WPPWVYGBQHNTDV-MRXNPFEDSA-N 1 0 320.230 3.615 50 0 DHAARO COc1ccc(CC[C@@H](C)[NH2+]CCc2cccc(F)c2)cc1 ZINC000023282927 182355629 /nfs/dbraw/zinc/35/56/29/182355629.db2.gz QSKHDTKGKVYOGI-OAHLLOKOSA-N 1 0 301.405 3.988 50 0 DHAARO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(C(=O)Nc2cc[nH]n2)s1 ZINC000023367739 182358637 /nfs/dbraw/zinc/35/86/37/182358637.db2.gz HEGMTEVVMUDRHA-LBPRGKRZSA-N 1 0 318.446 3.516 50 0 DHAARO Cc1cc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(O)cc2)c(C)n1C(C)C ZINC000023673475 182366142 /nfs/dbraw/zinc/36/61/42/182366142.db2.gz POCGPUUYGAXVLS-IFXJQAMLSA-N 1 0 316.445 3.603 50 0 DHAARO CC(C)(C)n1c[n+](-c2ccc(F)cc2F)c(-c2ccccc2)n1 ZINC000024841829 182392808 /nfs/dbraw/zinc/39/28/08/182392808.db2.gz GBBYEHQGLQJONB-UHFFFAOYSA-N 1 0 314.359 3.860 50 0 DHAARO Cc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000036392872 182823509 /nfs/dbraw/zinc/82/35/09/182823509.db2.gz OSSOOKFGRJVCBS-UHFFFAOYSA-N 1 0 303.450 3.734 50 0 DHAARO Cc1cccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1C ZINC000040017224 183028454 /nfs/dbraw/zinc/02/84/54/183028454.db2.gz AJNWUBNNWXPNRN-UHFFFAOYSA-N 1 0 310.441 3.555 50 0 DHAARO Cc1ccc(CCC(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000040043396 183029732 /nfs/dbraw/zinc/02/97/32/183029732.db2.gz CLPILYBKRFXDGC-UHFFFAOYSA-N 1 0 322.880 3.573 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)/C=C/c1cccc(F)c1 ZINC000040108156 183036559 /nfs/dbraw/zinc/03/65/59/183036559.db2.gz XFJBGOLPISUGQO-SIFUEBAJSA-N 1 0 318.436 3.610 50 0 DHAARO Cc1c(C)n(-c2ncccc2C)c2[nH+]c3c(c(N)c12)CCCC3 ZINC000040284639 183050811 /nfs/dbraw/zinc/05/08/11/183050811.db2.gz MHLNDGCOUYHRAF-UHFFFAOYSA-N 1 0 306.413 3.807 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000042207308 183242336 /nfs/dbraw/zinc/24/23/36/183242336.db2.gz DFXSKRGTDMCXEU-DZGCQCFKSA-N 1 0 314.351 3.856 50 0 DHAARO COc1cccc(C[N@H+](C)CCOc2ccc(C)cc2)c1OC ZINC000042364649 183258908 /nfs/dbraw/zinc/25/89/08/183258908.db2.gz UMDUAULYRCQUNO-UHFFFAOYSA-N 1 0 315.413 3.523 50 0 DHAARO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000042959980 183323700 /nfs/dbraw/zinc/32/37/00/183323700.db2.gz DFZUBZOXCPZJDB-ZIAGYGMSSA-N 1 0 324.350 3.682 50 0 DHAARO Clc1cc(Br)ccc1OCCC1CC[NH2+]CC1 ZINC000042772248 183306992 /nfs/dbraw/zinc/30/69/92/183306992.db2.gz DRANEWJBBFKQHG-UHFFFAOYSA-N 1 0 318.642 3.871 50 0 DHAARO Brc1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042774916 183307937 /nfs/dbraw/zinc/30/79/37/183307937.db2.gz FZADDFYCHGUDIM-AWEZNQCLSA-N 1 0 318.214 3.857 50 0 DHAARO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000042797191 183310118 /nfs/dbraw/zinc/31/01/18/183310118.db2.gz DBIXKTGONVDXBB-GFCCVEGCSA-N 1 0 316.376 3.644 50 0 DHAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)CC2=CCCCC2)CC1 ZINC000106607477 194237665 /nfs/dbraw/zinc/23/76/65/194237665.db2.gz UNTFFBZLNCTFHT-UHFFFAOYSA-N 1 0 316.445 3.593 50 0 DHAARO Cc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCCC2)s1 ZINC000057211931 184029681 /nfs/dbraw/zinc/02/96/81/184029681.db2.gz YOIOOQMYVMSPLG-UHFFFAOYSA-N 1 0 314.454 3.834 50 0 DHAARO CCCCN1C(=O)C(C)=C(C)[C@H]1[NH2+][C@@H](C)CCc1ccccc1 ZINC000057381652 184036672 /nfs/dbraw/zinc/03/66/72/184036672.db2.gz XSCSLSHNONYAPT-KXBFYZLASA-N 1 0 314.473 3.902 50 0 DHAARO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000057752202 184051358 /nfs/dbraw/zinc/05/13/58/184051358.db2.gz UHXXYSXGQRBRKN-SNVBAGLBSA-N 1 0 324.211 3.678 50 0 DHAARO CC[NH+](CC)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000058012640 184066781 /nfs/dbraw/zinc/06/67/81/184066781.db2.gz LKXJGZRJDPAFSP-SFHVURJKSA-N 1 0 318.461 3.527 50 0 DHAARO Cc1ccc([C@@H](C(=O)NC2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000058012625 184066835 /nfs/dbraw/zinc/06/68/35/184066835.db2.gz RLHQJPYGVDFPCM-IBGZPJMESA-N 1 0 314.473 3.971 50 0 DHAARO FC(F)(F)c1cccc(C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000058169322 184083902 /nfs/dbraw/zinc/08/39/02/184083902.db2.gz WYIYCPCRHZEXCD-AWEZNQCLSA-N 1 0 323.314 3.635 50 0 DHAARO Clc1cc(CN2CCC[N@H+](Cc3cccs3)CC2)ccn1 ZINC000058151201 184081642 /nfs/dbraw/zinc/08/16/42/184081642.db2.gz XAEDQDYMIUECPB-UHFFFAOYSA-N 1 0 321.877 3.504 50 0 DHAARO CC(C)(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058289635 184100609 /nfs/dbraw/zinc/10/06/09/184100609.db2.gz ZQNIVUINEKKDOF-CQSZACIVSA-N 1 0 308.491 3.513 50 0 DHAARO COc1c(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c(C)nn1C ZINC000058416396 184115227 /nfs/dbraw/zinc/11/52/27/184115227.db2.gz HTMICFKRQVACNN-MRXNPFEDSA-N 1 0 319.836 3.631 50 0 DHAARO CC(C)C[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)N(C)C ZINC000058680535 184126057 /nfs/dbraw/zinc/12/60/57/184126057.db2.gz RCZPUBWLCFOCSS-CQSZACIVSA-N 1 0 318.383 3.651 50 0 DHAARO CC[NH+](CC)[C@@H](CNc1cc(Cl)nc(C)n1)c1ccccc1 ZINC000060340060 184146473 /nfs/dbraw/zinc/14/64/73/184146473.db2.gz ZWWUWACBHWGETC-HNNXBMFYSA-N 1 0 318.852 3.933 50 0 DHAARO CCc1cc2c(ncnc2NC[C@H](C)C[NH+]2CCCCC2)s1 ZINC000059402386 184138306 /nfs/dbraw/zinc/13/83/06/184138306.db2.gz MXSTUFWSEFQBFE-ZDUSSCGKSA-N 1 0 318.490 3.788 50 0 DHAARO Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2cccc3ccccc32)n1 ZINC000060890405 184157612 /nfs/dbraw/zinc/15/76/12/184157612.db2.gz ZSWPVJVOWQAUAS-QGZVFWFLSA-N 1 0 307.397 3.738 50 0 DHAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3cccs3)C2)c1 ZINC000065393929 184334655 /nfs/dbraw/zinc/33/46/55/184334655.db2.gz UVCYZTXYDUTRBD-ZDUSSCGKSA-N 1 0 303.427 3.755 50 0 DHAARO CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1 ZINC000065395945 184335089 /nfs/dbraw/zinc/33/50/89/184335089.db2.gz RWOVMIOEAPFDPI-UHFFFAOYSA-N 1 0 324.424 3.811 50 0 DHAARO COc1ccc(-c2cc(C[NH2+][C@H](C)CC(F)(F)F)on2)cc1 ZINC000065404851 184338098 /nfs/dbraw/zinc/33/80/98/184338098.db2.gz KKTMRNBGRRREAI-SNVBAGLBSA-N 1 0 314.307 3.781 50 0 DHAARO CC[NH+](CC)CCCNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000065499616 184355602 /nfs/dbraw/zinc/35/56/02/184355602.db2.gz OMWTYXUCJDAODX-UHFFFAOYSA-N 1 0 308.809 3.548 50 0 DHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000299740167 532984858 /nfs/dbraw/zinc/98/48/58/532984858.db2.gz WNPSUPQBGBONHO-GHMZBOCLSA-N 1 0 322.861 3.754 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000157236788 197172531 /nfs/dbraw/zinc/17/25/31/197172531.db2.gz XMPSKZSAWMRXOM-HOCLYGCPSA-N 1 0 318.461 3.525 50 0 DHAARO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000110704222 256585016 /nfs/dbraw/zinc/58/50/16/256585016.db2.gz RIOQBTIZPOKOCI-DAYGRLMNSA-N 1 0 321.486 3.709 50 0 DHAARO CC[N@H+](C[C@@H](O)COc1ccc2c(c1)CCC2)C1CCCCC1 ZINC000006400975 257233873 /nfs/dbraw/zinc/23/38/73/257233873.db2.gz PEVHJXKQXUGEQB-LJQANCHMSA-N 1 0 317.473 3.570 50 0 DHAARO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000408519224 257255292 /nfs/dbraw/zinc/25/52/92/257255292.db2.gz WGXXMXXWNMRZPI-RKVPGOIHSA-N 1 0 302.462 3.642 50 0 DHAARO CCCc1ccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000245227953 257259269 /nfs/dbraw/zinc/25/92/69/257259269.db2.gz ZSUACPZCTXTOEL-JFIYKMOQSA-N 1 0 305.462 3.642 50 0 DHAARO COc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069696991 184837392 /nfs/dbraw/zinc/83/73/92/184837392.db2.gz NQZOOSQWDKAVMS-QGZVFWFLSA-N 1 0 324.424 3.513 50 0 DHAARO Cc1ccc(N2C(=O)[C@@H](C[NH+]3CCCC3)[C@H]2c2ccccc2)cc1 ZINC000005541431 331491920 /nfs/dbraw/zinc/49/19/20/331491920.db2.gz WZTQWILGFCKYHD-VQTJNVASSA-N 1 0 320.436 3.795 50 0 DHAARO CCc1nccn1C[C@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000534658843 334315029 /nfs/dbraw/zinc/31/50/29/334315029.db2.gz UVOYORBBXIAMCV-ZDUSSCGKSA-N 1 0 303.837 3.766 50 0 DHAARO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000345960857 335364154 /nfs/dbraw/zinc/36/41/54/335364154.db2.gz MBOIEKKGXKYNRZ-OAHLLOKOSA-N 1 0 316.436 3.535 50 0 DHAARO CC(C)n1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)n1 ZINC000075864273 341186526 /nfs/dbraw/zinc/18/65/26/341186526.db2.gz QOZZPNWWNNSMDN-GOSISDBHSA-N 1 0 313.445 3.503 50 0 DHAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000089844291 341409945 /nfs/dbraw/zinc/40/99/45/341409945.db2.gz PDCVUUYYTAZEIN-SFHVURJKSA-N 1 0 312.413 3.503 50 0 DHAARO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(Cc2cccs2)o1 ZINC000283783040 536354843 /nfs/dbraw/zinc/35/48/43/536354843.db2.gz DMWATUWZQQUAOQ-GFCCVEGCSA-N 1 0 323.487 3.688 50 0 DHAARO C/C(=C/Cc1c(C)[nH+]c(N)nc1N)c1ccc(Cl)c(Cl)c1 ZINC000211018172 563784824 /nfs/dbraw/zinc/78/48/24/563784824.db2.gz YEEIFOVOJGLXNO-BAQGIRSFSA-N 1 0 323.227 3.902 50 0 DHAARO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccs1 ZINC000089289564 563883995 /nfs/dbraw/zinc/88/39/95/563883995.db2.gz OFLRPURJOYBZCI-CYBMUJFWSA-N 1 0 302.443 3.817 50 0 DHAARO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000095962412 563932518 /nfs/dbraw/zinc/93/25/18/563932518.db2.gz HNWHHWQPFVWOJM-SWLSCSKDSA-N 1 0 306.837 3.614 50 0 DHAARO COc1ccccc1N1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000000292099 563236612 /nfs/dbraw/zinc/23/66/12/563236612.db2.gz HCLPOFYOEYTQRK-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000300515 563237828 /nfs/dbraw/zinc/23/78/28/563237828.db2.gz DQJODXFZFLJESH-QGZVFWFLSA-N 1 0 322.452 3.910 50 0 DHAARO Cc1ccc(NC(=O)CC2=[N+](C)C(C)(C)Cc3ccccc32)cc1 ZINC000000432679 563253279 /nfs/dbraw/zinc/25/32/79/563253279.db2.gz USVQVKHLWIELBO-UHFFFAOYSA-O 1 0 321.444 3.790 50 0 DHAARO CCOC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000001662238 563289942 /nfs/dbraw/zinc/28/99/42/563289942.db2.gz DLCANSQBMBAXDJ-UHFFFAOYSA-N 1 0 323.436 3.784 50 0 DHAARO CC[NH+](CC)CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000001717372 563293070 /nfs/dbraw/zinc/29/30/70/563293070.db2.gz JGOAIQNSOGZNBX-UHFFFAOYSA-N 1 0 311.425 3.704 50 0 in-man DHAARO CC(C)CC[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000001856284 563296886 /nfs/dbraw/zinc/29/68/86/563296886.db2.gz RILRKUIAPLEMSF-MRXNPFEDSA-N 1 0 310.441 3.791 50 0 DHAARO C[C@H]1CC[C@H](C(=O)N[C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000584902326 563297558 /nfs/dbraw/zinc/29/75/58/563297558.db2.gz XTRBUWGUPGRNJR-KBAYOESNSA-N 1 0 311.429 3.567 50 0 DHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(Cl)c1 ZINC000002164625 563300824 /nfs/dbraw/zinc/30/08/24/563300824.db2.gz NYIWXAUAFMKBGT-ZDUSSCGKSA-N 1 0 309.841 3.726 50 0 DHAARO COc1ccccc1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002514994 563305310 /nfs/dbraw/zinc/30/53/10/563305310.db2.gz NJMCIWRWIPBNHI-UHFFFAOYSA-N 1 0 309.409 3.912 50 0 DHAARO COc1cccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000002514995 563305444 /nfs/dbraw/zinc/30/54/44/563305444.db2.gz NUTNWMDAVYBCKL-UHFFFAOYSA-N 1 0 309.409 3.912 50 0 DHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1F ZINC000002515089 563305742 /nfs/dbraw/zinc/30/57/42/563305742.db2.gz YFFDKXHJSHEAKS-UHFFFAOYSA-N 1 0 301.336 3.792 50 0 DHAARO Cc1cc(Cl)c(OCCOCC[NH2+]C(C)C)c(Cl)c1 ZINC000002975059 563318623 /nfs/dbraw/zinc/31/86/23/563318623.db2.gz NRWOBRSNDIVEES-UHFFFAOYSA-N 1 0 306.233 3.695 50 0 DHAARO CCCC[N@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000003138239 563322612 /nfs/dbraw/zinc/32/26/12/563322612.db2.gz XBXBPKFWPRMZBI-MRXNPFEDSA-N 1 0 310.441 3.887 50 0 DHAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000004685793 563327498 /nfs/dbraw/zinc/32/74/98/563327498.db2.gz VNTNOLGODDWLEJ-RHSMWYFYSA-N 1 0 320.864 3.677 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH2+]C2CCCCC2)c1 ZINC000009970625 563355372 /nfs/dbraw/zinc/35/53/72/563355372.db2.gz PXSXERKKHNSNOZ-KRWDZBQOSA-N 1 0 305.462 3.780 50 0 DHAARO O=C(NCCc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010313790 563355958 /nfs/dbraw/zinc/35/59/58/563355958.db2.gz YOFARXNCYRVAHJ-UHFFFAOYSA-N 1 0 322.452 3.645 50 0 DHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+](CCO)C(C)C ZINC000011661950 563359306 /nfs/dbraw/zinc/35/93/06/563359306.db2.gz PBFAQJFVRRJCLD-UHFFFAOYSA-N 1 0 308.809 3.506 50 0 DHAARO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000011819846 563359740 /nfs/dbraw/zinc/35/97/40/563359740.db2.gz VBQWBHDNHUIFGF-HNNXBMFYSA-N 1 0 319.399 3.543 50 0 DHAARO Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012201159 563364921 /nfs/dbraw/zinc/36/49/21/563364921.db2.gz NDAOIIFFMWSSRC-KRWDZBQOSA-N 1 0 314.473 3.912 50 0 DHAARO Fc1ccc(CC[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1F ZINC000012297172 563365750 /nfs/dbraw/zinc/36/57/50/563365750.db2.gz QNUNXGPXVQIVIR-CQSZACIVSA-N 1 0 305.372 3.533 50 0 DHAARO COc1ccc(N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012436279 563370104 /nfs/dbraw/zinc/37/01/04/563370104.db2.gz NDGJYPPGXHFXKK-IBGZPJMESA-N 1 0 322.452 3.739 50 0 DHAARO Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1cccc(F)c1 ZINC000013072784 563377375 /nfs/dbraw/zinc/37/73/75/563377375.db2.gz ROEVWBKLGOXACW-UHFFFAOYSA-N 1 0 320.795 3.858 50 0 DHAARO CN(CC(=O)Nc1cccc(F)c1)Cc1cccc(Cl)c1 ZINC000013038321 563377588 /nfs/dbraw/zinc/37/75/88/563377588.db2.gz OSKLJVFGELKTPD-UHFFFAOYSA-N 1 0 306.768 3.550 50 0 DHAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000013145633 563379714 /nfs/dbraw/zinc/37/97/14/563379714.db2.gz FHVURWWJQTVXLA-JZXOWHBKSA-N 1 0 305.462 3.718 50 0 DHAARO CSc1ccccc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013668315 563384730 /nfs/dbraw/zinc/38/47/30/563384730.db2.gz DRHNEZLSSKRTHV-GASCZTMLSA-N 1 0 320.502 3.506 50 0 DHAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000014164754 563397012 /nfs/dbraw/zinc/39/70/12/563397012.db2.gz MEFBPJSFPKBXSL-UHFFFAOYSA-N 1 0 317.820 3.723 50 0 DHAARO CCc1sc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1C ZINC000032818612 563398450 /nfs/dbraw/zinc/39/84/50/563398450.db2.gz DSQVXYGIFBOEJL-UHFFFAOYSA-N 1 0 316.470 3.611 50 0 DHAARO Cc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)nc2ccccc12 ZINC000032814506 563399072 /nfs/dbraw/zinc/39/90/72/563399072.db2.gz SKNQFGOUIPZMNH-UHFFFAOYSA-N 1 0 317.436 3.962 50 0 DHAARO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000014360277 563400546 /nfs/dbraw/zinc/40/05/46/563400546.db2.gz QLYHNZAWWXYRRP-ZIFCJYIRSA-N 1 0 316.489 3.838 50 0 DHAARO Brc1ccc2cc(OCC3CC[NH2+]CC3)ccc2c1 ZINC000014631496 563402162 /nfs/dbraw/zinc/40/21/62/563402162.db2.gz HVIPVKWWTLILOH-UHFFFAOYSA-N 1 0 320.230 3.981 50 0 DHAARO COC1CC[NH+](Cc2nc(-c3cc(F)ccc3F)oc2C)CC1 ZINC000015075884 563406678 /nfs/dbraw/zinc/40/66/78/563406678.db2.gz VYOCWZBIMDOQSU-UHFFFAOYSA-N 1 0 322.355 3.539 50 0 DHAARO CC(C)(C)c1ccccc1OCCCCCCN1CC[NH2+]CC1 ZINC000022577186 563419091 /nfs/dbraw/zinc/41/90/91/563419091.db2.gz GWROMHXZCHMDGC-UHFFFAOYSA-N 1 0 318.505 3.829 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 ZINC000025329755 563421948 /nfs/dbraw/zinc/42/19/48/563421948.db2.gz YQYISKFWOAWNPE-AWEZNQCLSA-N 1 0 314.410 3.527 50 0 DHAARO Cc1ccccc1[C@@H](C)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000026180482 563425207 /nfs/dbraw/zinc/42/52/07/563425207.db2.gz ROPXRQDLZMDTPW-CQSZACIVSA-N 1 0 317.477 3.664 50 0 DHAARO COC(=O)c1cc(C[N@H+](C)[C@H]2CCCc3ccccc32)oc1C ZINC000026228336 563425270 /nfs/dbraw/zinc/42/52/70/563425270.db2.gz HZFHVCJHBLWRFK-SFHVURJKSA-N 1 0 313.397 3.884 50 0 DHAARO CC1CC[NH+]([C@H](CNC(=O)c2ccco2)c2cccs2)CC1 ZINC000027573569 563427990 /nfs/dbraw/zinc/42/79/90/563427990.db2.gz JEUYGMIBMGIKLV-CQSZACIVSA-N 1 0 318.442 3.544 50 0 DHAARO CCC(CC)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027664370 563429547 /nfs/dbraw/zinc/42/95/47/563429547.db2.gz VJHLGSWRRHEANZ-OAHLLOKOSA-N 1 0 308.491 3.828 50 0 DHAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C2CCCCC2)c2ccc(C)cc12 ZINC000028297072 563431710 /nfs/dbraw/zinc/43/17/10/563431710.db2.gz PLHYIUNCCAEPCC-SFHVURJKSA-N 1 0 314.473 3.850 50 0 DHAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C)c1)c1ccccc1 ZINC000028291878 563431719 /nfs/dbraw/zinc/43/17/19/563431719.db2.gz DNIHMFUCJATLTQ-LJQANCHMSA-N 1 0 310.441 3.808 50 0 DHAARO C[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCc2ccccc21 ZINC000029484387 563434745 /nfs/dbraw/zinc/43/47/45/563434745.db2.gz FXYSTVQFVLHHQH-HXUWFJFHSA-N 1 0 320.436 3.733 50 0 DHAARO C[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCc2ccccc21 ZINC000029484390 563434791 /nfs/dbraw/zinc/43/47/91/563434791.db2.gz FXYSTVQFVLHHQH-FQEVSTJZSA-N 1 0 320.436 3.733 50 0 DHAARO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nc3ccccc3s2)C1(C)C ZINC000072305310 563444351 /nfs/dbraw/zinc/44/43/51/563444351.db2.gz HSTRWGMSSPVTFH-RHSMWYFYSA-N 1 0 304.459 3.932 50 0 DHAARO CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H]([NH3+])C[C@H]1CC ZINC000034041506 563446122 /nfs/dbraw/zinc/44/61/22/563446122.db2.gz AZFYCLSCZLWMBW-PWSUYJOCSA-N 1 0 316.323 3.850 50 0 DHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000002490868 563448573 /nfs/dbraw/zinc/44/85/73/563448573.db2.gz MMGNIEASGWZUQL-LJQANCHMSA-N 1 0 316.489 3.890 50 0 DHAARO Clc1cccc(C[NH2+]CCCOc2ccccn2)c1Cl ZINC000035287337 563452629 /nfs/dbraw/zinc/45/26/29/563452629.db2.gz JNZDOQZSXDGGCY-UHFFFAOYSA-N 1 0 311.212 3.947 50 0 DHAARO C[NH+](C)CC/C=C1/c2ccccc2C[S@@](=O)c2ccccc21 ZINC000038190881 563460221 /nfs/dbraw/zinc/46/02/21/563460221.db2.gz NBNPVRZHUPMVQS-AAKHDSTQSA-N 1 0 311.450 3.691 50 0 DHAARO CC(C)N(C(=O)[C@H](C)N(C)Cc1ccccc1Cl)C(C)C ZINC000071920736 563469647 /nfs/dbraw/zinc/46/96/47/563469647.db2.gz CQXAVYFEJWXMED-AWEZNQCLSA-N 1 0 310.869 3.806 50 0 DHAARO C=Cc1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000067460274 563487896 /nfs/dbraw/zinc/48/78/96/563487896.db2.gz NCLQRZOEUMZWIB-UHFFFAOYSA-N 1 0 308.425 3.869 50 0 DHAARO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)ccc2O1 ZINC000067541397 563488091 /nfs/dbraw/zinc/48/80/91/563488091.db2.gz CFYAHQCOCWWVFQ-HNNXBMFYSA-N 1 0 311.429 3.503 50 0 DHAARO C[C@H](c1cccc(-c2ccc3[nH]c(CO)nc3c2)c1)[NH+]1CCCC1 ZINC000067654578 563488889 /nfs/dbraw/zinc/48/88/89/563488889.db2.gz JWHTTXQLFXOYGF-CQSZACIVSA-N 1 0 321.424 3.879 50 0 DHAARO Cc1nc2ccc(-c3nc(C(C)C)nn3-c3ccccn3)cc2[nH]1 ZINC000067714217 563489681 /nfs/dbraw/zinc/48/96/81/563489681.db2.gz NJNJHLQBXALACP-UHFFFAOYSA-N 1 0 318.384 3.637 50 0 DHAARO C[C@@H](c1ccc(-c2ccc3[nH]cnc3c2)cc1)[NH+]1CCOCC1 ZINC000067820780 563491207 /nfs/dbraw/zinc/49/12/07/563491207.db2.gz JBTBLZZDYGINQS-AWEZNQCLSA-N 1 0 307.397 3.623 50 0 DHAARO CCCc1nc(C[NH2+][C@@H]2CCc3ccc(OC)cc3C2)cs1 ZINC000067833786 563491776 /nfs/dbraw/zinc/49/17/76/563491776.db2.gz BLIMTGPHLHJYNS-OAHLLOKOSA-N 1 0 316.470 3.751 50 0 DHAARO CO[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1cccs1 ZINC000067868179 563492354 /nfs/dbraw/zinc/49/23/54/563492354.db2.gz CGBLJMSEHRHTPH-KRWDZBQOSA-N 1 0 316.470 3.694 50 0 DHAARO CC1=C(c2ccccc2)[C@H]1c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067921054 563493159 /nfs/dbraw/zinc/49/31/59/563493159.db2.gz YFVVIARAPPHEFQ-SFHVURJKSA-N 1 0 309.413 3.525 50 0 DHAARO C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3nccs3)c2)C1 ZINC000067884667 563493197 /nfs/dbraw/zinc/49/31/97/563493197.db2.gz YFALZGUUQACBID-ZDUSSCGKSA-N 1 0 315.442 3.627 50 0 DHAARO C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3nccs3)c2)C1 ZINC000067884664 563493588 /nfs/dbraw/zinc/49/35/88/563493588.db2.gz YFALZGUUQACBID-CYBMUJFWSA-N 1 0 315.442 3.627 50 0 DHAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067983015 563494567 /nfs/dbraw/zinc/49/45/67/563494567.db2.gz AWFAHZDUESCKMH-CYBMUJFWSA-N 1 0 312.392 3.718 50 0 DHAARO Cc1ccsc1C[N@@H+]1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071419185 563499825 /nfs/dbraw/zinc/49/98/25/563499825.db2.gz BHVQJFFUZSUMCL-INIZCTEOSA-N 1 0 320.502 3.525 50 0 DHAARO Cc1nc([C@@H]2CCC[N@@H+](C(C)C)C2)sc1Br ZINC000072343526 563503265 /nfs/dbraw/zinc/50/32/65/563503265.db2.gz LLFMEULNCOIKMY-SNVBAGLBSA-N 1 0 303.269 3.802 50 0 DHAARO Cn1ccc2cccc(NC3CC[NH+](Cc4ccccn4)CC3)c21 ZINC000188778034 563503204 /nfs/dbraw/zinc/50/32/04/563503204.db2.gz QDUPHVCRKWDUQG-UHFFFAOYSA-N 1 0 320.440 3.650 50 0 DHAARO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000097105404 563505417 /nfs/dbraw/zinc/50/54/17/563505417.db2.gz SNCPXSYICPIVIM-JQFCIGGWSA-N 1 0 306.425 3.547 50 0 DHAARO c1ccc2ncc(NC3CC[NH+](Cc4cccnc4)CC3)cc2c1 ZINC000097140624 563507519 /nfs/dbraw/zinc/50/75/19/563507519.db2.gz FNTWOLQOWKQCKS-UHFFFAOYSA-N 1 0 318.424 3.706 50 0 DHAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3ccsc3)C2)c1 ZINC000077454348 563511300 /nfs/dbraw/zinc/51/13/00/563511300.db2.gz SXXAEFBLCWJBHI-CQSZACIVSA-N 1 0 303.427 3.755 50 0 DHAARO CCCc1ccc(CN2CCC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000077564797 563511985 /nfs/dbraw/zinc/51/19/85/563511985.db2.gz UARHDZCOTYFQBB-KRWDZBQOSA-N 1 0 304.478 3.930 50 0 DHAARO COc1ccc([C@@H]([NH2+][C@H]2C=CCCC2)C2CCOCC2)cc1 ZINC000097230812 563514432 /nfs/dbraw/zinc/51/44/32/563514432.db2.gz USFZEQPIOOKLGJ-PKOBYXMFSA-N 1 0 301.430 3.861 50 0 DHAARO CC(C)(C)OC(=O)NC1([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000059718799 563517720 /nfs/dbraw/zinc/51/77/20/563517720.db2.gz OIVBJMGOXYKNEF-MRXNPFEDSA-N 1 0 316.445 3.566 50 0 DHAARO Cc1c(NC2CC[NH+](Cc3ccncc3)CC2)cccc1N(C)C ZINC000097082140 563518574 /nfs/dbraw/zinc/51/85/74/563518574.db2.gz ZAZPRHWSCYAQFQ-UHFFFAOYSA-N 1 0 324.472 3.533 50 0 DHAARO Cc1ccccc1[C@@H](C)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000178302857 563521817 /nfs/dbraw/zinc/52/18/17/563521817.db2.gz JPLIFQJEHFNKGW-QGZVFWFLSA-N 1 0 314.473 3.781 50 0 DHAARO C[C@@H](C(=O)N(C)Cc1ccc(Cl)s1)[C@@H]([NH3+])c1ccccc1 ZINC000130224039 563522573 /nfs/dbraw/zinc/52/25/73/563522573.db2.gz OVVXCPMYEKRURL-IAQYHMDHSA-N 1 0 322.861 3.696 50 0 DHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1(c2ccccc2Cl)CC1 ZINC000095365696 563529713 /nfs/dbraw/zinc/52/97/13/563529713.db2.gz IXBPRGGZCREELO-CQSZACIVSA-N 1 0 320.864 3.710 50 0 DHAARO CCCc1nnc(NC[C@H](c2ccccc2)[NH+]2CCCCC2)o1 ZINC000095385442 563530081 /nfs/dbraw/zinc/53/00/81/563530081.db2.gz CGNVLZZZFDLRQP-MRXNPFEDSA-N 1 0 314.433 3.661 50 0 DHAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1ccc(-c2ccco2)cc1 ZINC000097076227 563538028 /nfs/dbraw/zinc/53/80/28/563538028.db2.gz BGLDOBMWMUWEOA-OAHLLOKOSA-N 1 0 307.397 3.800 50 0 DHAARO CSc1ccc(C[NH+]2CCC(c3ccnc(C)n3)CC2)cc1 ZINC000097570927 563540590 /nfs/dbraw/zinc/54/05/90/563540590.db2.gz CEIDTWCPBXRVGZ-UHFFFAOYSA-N 1 0 313.470 3.887 50 0 DHAARO CC[NH+]1CCC(C(=O)NCc2cccc(-c3ccccc3)c2)CC1 ZINC000097729498 563541818 /nfs/dbraw/zinc/54/18/18/563541818.db2.gz NSKFSXDAZACQLI-UHFFFAOYSA-N 1 0 322.452 3.702 50 0 DHAARO Cc1ccccc1OC1CC[NH+](Cc2cncn2C(C)C)CC1 ZINC000097805591 563542422 /nfs/dbraw/zinc/54/24/22/563542422.db2.gz PJQNVRBYTSVAFJ-UHFFFAOYSA-N 1 0 313.445 3.816 50 0 DHAARO CCOc1ccc(Cl)cc1C[NH2+]CCCOc1ccccn1 ZINC000113397372 563581626 /nfs/dbraw/zinc/58/16/26/563581626.db2.gz AGLZQNGRIPRBLX-UHFFFAOYSA-N 1 0 320.820 3.692 50 0 DHAARO COc1ccc(OC)c(/C=C\c2ccc3ccccc3[n+]2C)c1 ZINC000005045774 563596535 /nfs/dbraw/zinc/59/65/35/563596535.db2.gz KXEHIPMQYAOXGJ-LUAWRHEFSA-N 1 0 306.385 3.852 50 0 DHAARO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000248074381 563600027 /nfs/dbraw/zinc/60/00/27/563600027.db2.gz IBOBGBNMCGIYMT-MOPGFXCFSA-N 1 0 314.473 3.923 50 0 DHAARO CC(C)(C)NC(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863010 563625644 /nfs/dbraw/zinc/62/56/44/563625644.db2.gz MKYODJSQWCBENN-OAHLLOKOSA-N 1 0 323.506 3.763 50 0 DHAARO Clc1ccc(OCCSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000014196665 563665855 /nfs/dbraw/zinc/66/58/55/563665855.db2.gz OVGUHKDYNWRFGA-KBPBESRZSA-N 1 0 310.850 3.722 50 0 DHAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000107065452 563682865 /nfs/dbraw/zinc/68/28/65/563682865.db2.gz XNEZBDIKGHCAEN-UONOGXRCSA-N 1 0 321.421 3.592 50 0 DHAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)c1ccccc1Cl ZINC000107504613 563683987 /nfs/dbraw/zinc/68/39/87/563683987.db2.gz QFVBRDJUFGIEAY-MRRJBJDNSA-N 1 0 308.853 3.638 50 0 DHAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@H](C)c1ccccc1Cl ZINC000107504621 563683991 /nfs/dbraw/zinc/68/39/91/563683991.db2.gz QFVBRDJUFGIEAY-SUYBPPKGSA-N 1 0 308.853 3.638 50 0 DHAARO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)cc1C ZINC000109022580 563690066 /nfs/dbraw/zinc/69/00/66/563690066.db2.gz NXNUNTBCTJCGTI-JKSUJKDBSA-N 1 0 304.478 3.847 50 0 DHAARO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058581449 563698553 /nfs/dbraw/zinc/69/85/53/563698553.db2.gz HZBZDYJCDBNHFG-CVEARBPZSA-N 1 0 306.475 3.676 50 0 DHAARO CC(C)CC[C@]1(CC[NH+]2CCOCC2)CCO[C@@H](C(C)C)C1 ZINC000049762648 563702445 /nfs/dbraw/zinc/70/24/45/563702445.db2.gz WJJUOFFEYGAKBZ-MOPGFXCFSA-N 1 0 311.510 3.966 50 0 DHAARO CCn1ccc2c1cccc2CN(C)Cc1nc(C2CC2)no1 ZINC000215348493 563705322 /nfs/dbraw/zinc/70/53/22/563705322.db2.gz SLSSRNNTDIRZJI-UHFFFAOYSA-N 1 0 310.401 3.554 50 0 DHAARO CCn1ccc2c1cccc2C[N@H+](C)[C@@H](COC)c1ccccn1 ZINC000215496398 563705522 /nfs/dbraw/zinc/70/55/22/563705522.db2.gz UXWNVSRMQVNYDS-FQEVSTJZSA-N 1 0 323.440 3.876 50 0 DHAARO COc1ccccc1C1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000216130864 563708082 /nfs/dbraw/zinc/70/80/82/563708082.db2.gz PRMBDWRIWSHGAZ-UHFFFAOYSA-N 1 0 313.445 3.852 50 0 DHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)Nc1ccccc1 ZINC000012355573 563722340 /nfs/dbraw/zinc/72/23/40/563722340.db2.gz PGVWOJHAEYVEPT-INIZCTEOSA-N 1 0 315.442 3.707 50 0 DHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)NC1CCCCC1 ZINC000012355709 563722463 /nfs/dbraw/zinc/72/24/63/563722463.db2.gz YPKFAGRRKOQMNG-MRXNPFEDSA-N 1 0 321.490 3.517 50 0 DHAARO O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000221238492 563723264 /nfs/dbraw/zinc/72/32/64/563723264.db2.gz UKIJHXDGTMIVRC-UXPWSPDFSA-N 1 0 324.468 3.501 50 0 DHAARO Cc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c1 ZINC000221316306 563723402 /nfs/dbraw/zinc/72/34/02/563723402.db2.gz FAEGKEAMZQEAKR-HNNXBMFYSA-N 1 0 320.864 3.739 50 0 DHAARO OC[C@@H]1CCC[N@@H+]1CC(Cc1ccccc1)Cc1ccccc1 ZINC000225419866 563754718 /nfs/dbraw/zinc/75/47/18/563754718.db2.gz VMHJIVLDMQOFPT-NRFANRHFSA-N 1 0 309.453 3.545 50 0 DHAARO CC(C)(C)OC(=O)NCc1cccc(-c2cccc(C[NH3+])c2)c1 ZINC000040449490 563758160 /nfs/dbraw/zinc/75/81/60/563758160.db2.gz ZJSHRYNHCHUIBJ-UHFFFAOYSA-N 1 0 312.413 3.837 50 0 DHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000229845378 563772950 /nfs/dbraw/zinc/77/29/50/563772950.db2.gz XERPCEOYYPCOAF-WFASDCNBSA-N 1 0 309.841 3.534 50 0 DHAARO CC(=O)NC1CCC([NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000096010129 563774286 /nfs/dbraw/zinc/77/42/86/563774286.db2.gz XLTAOOXWZDBXFO-UHFFFAOYSA-N 1 0 308.510 3.876 50 0 DHAARO COCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000244712703 563779380 /nfs/dbraw/zinc/77/93/80/563779380.db2.gz KUXTVDXBCAYEIO-AWEZNQCLSA-N 1 0 324.852 3.560 50 0 DHAARO COc1ccc([C@@H](C)[N@H+](C)CCCc2cccnc2)c(OC)c1 ZINC000244773952 563779980 /nfs/dbraw/zinc/77/99/80/563779980.db2.gz PJIMXXJBOHDXGT-OAHLLOKOSA-N 1 0 314.429 3.724 50 0 DHAARO CC[C@@H](CO)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248168136 563782541 /nfs/dbraw/zinc/78/25/41/563782541.db2.gz PRIAEPQMTPAJGB-SFHVURJKSA-N 1 0 308.425 3.550 50 0 DHAARO CN1CC[NH+](CC2c3ccccc3C=Cc3ccccc32)CC1 ZINC000252482324 563783926 /nfs/dbraw/zinc/78/39/26/563783926.db2.gz DCWCUUNWRHRDQO-UHFFFAOYSA-N 1 0 304.437 3.550 50 0 DHAARO Cc1c[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(C)c1=O ZINC000253536031 563784473 /nfs/dbraw/zinc/78/44/73/563784473.db2.gz DPVAXLIJYSLMGP-QGZVFWFLSA-N 1 0 300.377 3.880 50 0 DHAARO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccncc1)c1cccs1 ZINC000084535735 563827391 /nfs/dbraw/zinc/82/73/91/563827391.db2.gz VSYDUZCZOGGNND-GOSISDBHSA-N 1 0 324.449 3.879 50 0 DHAARO CC[C@H](C)[C@@H](CO)[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000032533087 563834202 /nfs/dbraw/zinc/83/42/02/563834202.db2.gz HFSNSIKAKDAPHH-YWPYICTPSA-N 1 0 303.368 3.633 50 0 DHAARO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000085324803 563835009 /nfs/dbraw/zinc/83/50/09/563835009.db2.gz HXWZHCWGBBQQFJ-FPTDNZKUSA-N 1 0 319.445 3.674 50 0 DHAARO C[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H](C)O1 ZINC000012815065 563836606 /nfs/dbraw/zinc/83/66/06/563836606.db2.gz SHFQSGPVQDPOCZ-TXEJJXNPSA-N 1 0 306.793 3.604 50 0 DHAARO COc1ccc2c(C[NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)cc(=O)oc2c1 ZINC000012818692 563837354 /nfs/dbraw/zinc/83/73/54/563837354.db2.gz CTFXTOYBBHKMCQ-GDZNZVCISA-N 1 0 315.413 3.716 50 0 DHAARO COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000012929946 563854760 /nfs/dbraw/zinc/85/47/60/563854760.db2.gz FYXNGRGXBSGQLA-IBGZPJMESA-N 1 0 324.424 3.779 50 0 DHAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC000229988418 563870805 /nfs/dbraw/zinc/87/08/05/563870805.db2.gz VCEGBPKEJZPIMG-VGYLUTEMSA-N 1 0 321.530 3.925 50 0 DHAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000191096304 563871628 /nfs/dbraw/zinc/87/16/28/563871628.db2.gz QJYXBDCTBAXQDV-AEFFLSMTSA-N 1 0 306.494 3.606 50 0 DHAARO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1c(C)noc1C ZINC000090887425 563876600 /nfs/dbraw/zinc/87/66/00/563876600.db2.gz FZUXCABVHGZIBJ-HZMBPMFUSA-N 1 0 302.374 3.822 50 0 DHAARO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccnc1 ZINC000092741269 563882850 /nfs/dbraw/zinc/88/28/50/563882850.db2.gz IOZJKFFQOXQYPD-KBPBESRZSA-N 1 0 317.383 3.537 50 0 DHAARO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccnc1 ZINC000092741271 563882931 /nfs/dbraw/zinc/88/29/31/563882931.db2.gz IOZJKFFQOXQYPD-UONOGXRCSA-N 1 0 317.383 3.537 50 0 DHAARO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 ZINC000089580454 563891224 /nfs/dbraw/zinc/89/12/24/563891224.db2.gz SSQFQZADRGIFRN-UONOGXRCSA-N 1 0 310.401 3.889 50 0 DHAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000169678615 563894671 /nfs/dbraw/zinc/89/46/71/563894671.db2.gz OMLYMEYLHPAWCN-SJLPKXTDSA-N 1 0 307.478 3.772 50 0 DHAARO COc1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)c1 ZINC000008002555 563897573 /nfs/dbraw/zinc/89/75/73/563897573.db2.gz XYPNRQTYPWKMEW-LJQANCHMSA-N 1 0 312.413 3.621 50 0 DHAARO CCCNC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000036395705 563898884 /nfs/dbraw/zinc/89/88/84/563898884.db2.gz XYCGMCBKDQUHGV-VQIMIIECSA-N 1 0 310.441 3.589 50 0 DHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000036597085 563901273 /nfs/dbraw/zinc/90/12/73/563901273.db2.gz HFXCITHPWPIGGI-JZXOWHBKSA-N 1 0 313.441 3.557 50 0 DHAARO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1F ZINC000170084554 563903619 /nfs/dbraw/zinc/90/36/19/563903619.db2.gz LWMHWEMSCWUKSY-OWYVNGRQSA-N 1 0 316.214 3.542 50 0 DHAARO CC[C@@H](c1nc(-c2cc(Br)cs2)no1)[NH+](C)C ZINC000170606731 563907662 /nfs/dbraw/zinc/90/76/62/563907662.db2.gz UHFYBZLDZHRYKU-QMMMGPOBSA-N 1 0 316.224 3.573 50 0 DHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000170614567 563908347 /nfs/dbraw/zinc/90/83/47/563908347.db2.gz ODZOATBUMWMBEV-MJGOQNOKSA-N 1 0 300.446 3.518 50 0 DHAARO CC(C)C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccccn1 ZINC000089821045 563911404 /nfs/dbraw/zinc/91/14/04/563911404.db2.gz FLQIYKYCGCIGPD-GOSISDBHSA-N 1 0 308.429 3.649 50 0 DHAARO c1cn(CCCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000089857756 563911680 /nfs/dbraw/zinc/91/16/80/563911680.db2.gz SXRBAHOSQLLZNU-KRWDZBQOSA-N 1 0 311.429 3.699 50 0 DHAARO C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)c1cccs1 ZINC000089910203 563912169 /nfs/dbraw/zinc/91/21/69/563912169.db2.gz LWMPEVUMCXGNIA-HNNXBMFYSA-N 1 0 311.454 3.886 50 0 DHAARO CS[C@H]1CCC[C@@H]1[N@H+](C)Cc1nnc(-c2cccs2)o1 ZINC000076146516 563912520 /nfs/dbraw/zinc/91/25/20/563912520.db2.gz RTHSADNJNWBXEE-QWRGUYRKSA-N 1 0 309.460 3.514 50 0 DHAARO Cc1cc(Cl)c(OCCC[NH+](C)C)c(Br)c1 ZINC000002823722 563913101 /nfs/dbraw/zinc/91/31/01/563913101.db2.gz SQLMVZRDXWPYOG-UHFFFAOYSA-N 1 0 306.631 3.741 50 0 DHAARO CC[C@@H](C)[NH2+]CCOc1ccc(Cl)cc1Br ZINC000002823505 563913104 /nfs/dbraw/zinc/91/31/04/563913104.db2.gz BQEULKNBMRWJAB-SECBINFHSA-N 1 0 306.631 3.869 50 0 DHAARO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N2CCC[C@@H](C)C2)o1 ZINC000252515513 563916731 /nfs/dbraw/zinc/91/67/31/563916731.db2.gz KWNWWYGXJLABCM-WBVHZDCISA-N 1 0 318.461 3.764 50 0 DHAARO COCCOCC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000170669646 563917544 /nfs/dbraw/zinc/91/75/44/563917544.db2.gz XYZLYVAWXRMMRM-SNVBAGLBSA-N 1 0 324.273 3.685 50 0 DHAARO c1cc2c(ncnc2NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000007902383 563920398 /nfs/dbraw/zinc/92/03/98/563920398.db2.gz PZQWKPMGQUMVSJ-UHFFFAOYSA-N 1 0 324.453 3.899 50 0 DHAARO O=C(c1ccccc1)[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)[NH2+]1 ZINC000025559155 563923743 /nfs/dbraw/zinc/92/37/43/563923743.db2.gz CNWKJIFYKGLTLI-FHWLQOOXSA-N 1 0 309.409 3.504 50 0 DHAARO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000076412816 563924194 /nfs/dbraw/zinc/92/41/94/563924194.db2.gz OOCYMHYGCOHHHG-AWEZNQCLSA-N 1 0 324.852 3.560 50 0 DHAARO CC[NH+](CC)CCCOc1ccc(Br)cc1F ZINC000230532728 563927146 /nfs/dbraw/zinc/92/71/46/563927146.db2.gz ZYEMQQZCDAEPAX-UHFFFAOYSA-N 1 0 304.203 3.699 50 0 DHAARO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc2ccccc21 ZINC000078806477 563929988 /nfs/dbraw/zinc/92/99/88/563929988.db2.gz MQPODDVJPRRSQA-MRXNPFEDSA-N 1 0 318.420 3.920 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000078897185 563930043 /nfs/dbraw/zinc/93/00/43/563930043.db2.gz WUUXTDPQBHAPPB-DNVCBOLYSA-N 1 0 310.441 3.576 50 0 DHAARO Cc1ncn(C[C@@H](C)[NH2+][C@H](c2ccccc2)c2ccccn2)c1C ZINC000095427064 563931484 /nfs/dbraw/zinc/93/14/84/563931484.db2.gz GMKJMPDXEJKZPA-FOIQADDNSA-N 1 0 320.440 3.663 50 0 DHAARO COc1ccc(C[NH2+][C@@H](C)c2c(Cl)nc3ccccn32)cc1 ZINC000095427008 563931526 /nfs/dbraw/zinc/93/15/26/563931526.db2.gz KVSCEOOSKUCJMQ-LBPRGKRZSA-N 1 0 315.804 3.847 50 0 DHAARO CCOc1cccc(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000095948893 563932247 /nfs/dbraw/zinc/93/22/47/563932247.db2.gz LASDKEREEVVDLR-UHFFFAOYSA-N 1 0 311.429 3.557 50 0 DHAARO CC(C)C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccccn1 ZINC000095968340 563933083 /nfs/dbraw/zinc/93/30/83/563933083.db2.gz KBCQHUNGCXEDIW-IRXDYDNUSA-N 1 0 304.459 3.728 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000095971527 563933362 /nfs/dbraw/zinc/93/33/62/563933362.db2.gz BQJFOGIYGGMQMJ-MSOLQXFVSA-N 1 0 308.425 3.847 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000095977346 563933737 /nfs/dbraw/zinc/93/37/37/563933737.db2.gz YVQQKNZCUULKBI-HNNXBMFYSA-N 1 0 324.428 3.856 50 0 DHAARO Brc1cccc(C[N@H+](CC2=CCCOC2)C2CC2)c1 ZINC000095982487 563933923 /nfs/dbraw/zinc/93/39/23/563933923.db2.gz SUYHRSYMCHZTFC-UHFFFAOYSA-N 1 0 322.246 3.760 50 0 DHAARO O=C(Nc1cccc(C(F)F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000095984759 563934128 /nfs/dbraw/zinc/93/41/28/563934128.db2.gz QGVNHAIOQJXKRM-CYBMUJFWSA-N 1 0 323.387 3.574 50 0 DHAARO CCCOc1ccc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000095989203 563934225 /nfs/dbraw/zinc/93/42/25/563934225.db2.gz WDBPPHHAYWXQGQ-GOSISDBHSA-N 1 0 319.445 3.641 50 0 DHAARO CCCC[NH2+]C[C@H]1COc2c(-c3ccccc3)cccc2C1=O ZINC000096026755 563935047 /nfs/dbraw/zinc/93/50/47/563935047.db2.gz WEIOTOMWCNMXFY-INIZCTEOSA-N 1 0 309.409 3.935 50 0 DHAARO CNC(=O)c1cccc(C[NH2+][C@H](CC(C)C)c2cccs2)c1 ZINC000096476718 563937120 /nfs/dbraw/zinc/93/71/20/563937120.db2.gz NXMRMTIACGTHAT-MRXNPFEDSA-N 1 0 316.470 3.985 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1C(C)(C)C ZINC000002532893 563938644 /nfs/dbraw/zinc/93/86/44/563938644.db2.gz BXGXPPXTLUSKMR-CVEARBPZSA-N 1 0 305.462 3.598 50 0 DHAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000002624419 563939638 /nfs/dbraw/zinc/93/96/38/563939638.db2.gz UBQRGLZNVLIMRZ-GOSISDBHSA-N 1 0 319.489 3.764 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000008328274 563948001 /nfs/dbraw/zinc/94/80/01/563948001.db2.gz OSOBRUNZSHORGS-QGZVFWFLSA-N 1 0 312.438 3.972 50 0 DHAARO Cc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000008613182 563949563 /nfs/dbraw/zinc/94/95/63/563949563.db2.gz YZBKGMQNIOICHR-SFHVURJKSA-N 1 0 314.473 3.866 50 0 DHAARO c1cn(CC2CC[NH+](C3CCCC3)CC2)c(-c2ccccn2)n1 ZINC000067742757 563949783 /nfs/dbraw/zinc/94/97/83/563949783.db2.gz KLNSSYCLBKBGAS-UHFFFAOYSA-N 1 0 310.445 3.600 50 0 DHAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCCCCC1 ZINC000008717516 563950210 /nfs/dbraw/zinc/95/02/10/563950210.db2.gz XPXBDYFLJZHCHQ-UHFFFAOYSA-N 1 0 313.445 3.691 50 0 DHAARO CCC[NH+](CCC)CCCC(=O)Nc1ccc(N(C)C)cc1C ZINC000068516984 563951237 /nfs/dbraw/zinc/95/12/37/563951237.db2.gz BODIRQHIHQBUQK-UHFFFAOYSA-N 1 0 319.493 3.902 50 0 DHAARO CC(C)[N@@H+]1CC[C@H](Nc2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000069000746 563951454 /nfs/dbraw/zinc/95/14/54/563951454.db2.gz DVNWDSIJVYVQKU-NSHDSACASA-N 1 0 324.350 3.543 50 0 DHAARO CC(C)[N@@H+]1CC[C@@H](Nc2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000069000747 563951520 /nfs/dbraw/zinc/95/15/20/563951520.db2.gz DVNWDSIJVYVQKU-LLVKDONJSA-N 1 0 324.350 3.543 50 0 DHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)C2CCCCC2)CC1 ZINC000069663577 563954208 /nfs/dbraw/zinc/95/42/08/563954208.db2.gz MGVQKQIIHWCFJB-UHFFFAOYSA-N 1 0 315.461 3.712 50 0 DHAARO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(C)o1 ZINC000009365754 563955302 /nfs/dbraw/zinc/95/53/02/563955302.db2.gz JJVPVAMZCVVTAV-UHFFFAOYSA-N 1 0 318.461 3.815 50 0 DHAARO C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000078517725 563960976 /nfs/dbraw/zinc/96/09/76/563960976.db2.gz LWPWQHFIJXQNOL-HNNXBMFYSA-N 1 0 318.461 3.779 50 0 DHAARO CC[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000002765232 568414164 /nfs/dbraw/zinc/41/41/64/568414164.db2.gz DMFOOLNJFKNXSV-UHFFFAOYSA-N 1 0 300.377 3.676 50 0 DHAARO CC(=O)O[C@]1([C@H](C)C[NH+](C)C)CCCC[C@H]1c1ccccc1 ZINC000212517832 568415907 /nfs/dbraw/zinc/41/59/07/568415907.db2.gz TVQPXLMQOZWEBA-MNEFBYGVSA-N 1 0 303.446 3.844 50 0 DHAARO Cc1ccc(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000084183016 568417816 /nfs/dbraw/zinc/41/78/16/568417816.db2.gz SHFNSQHTHHWPEC-CZUORRHYSA-N 1 0 321.852 3.596 50 0 DHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCc3ccccc32)o1 ZINC000053476522 568418253 /nfs/dbraw/zinc/41/82/53/568418253.db2.gz FLLLRUXCUUSFJU-QGZVFWFLSA-N 1 0 312.413 3.539 50 0 DHAARO Cc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H](C)n3cccn3)cs2)o1 ZINC000069921815 1013378005 /nfs/dbraw/zinc/37/80/05/1013378005.db2.gz OGXNPVGQKCTXQJ-QWHCGFSZSA-N 1 0 316.430 3.647 50 0 DHAARO c1ccc(C(CC[NH2+][C@H]2CN3CCC2CC3)c2ccccc2)cc1 ZINC000022027709 1013611072 /nfs/dbraw/zinc/61/10/72/1013611072.db2.gz SEUGZNBDXCNTCQ-QFIPXVFZSA-N 1 0 320.480 3.892 50 0 DHAARO Fc1ccccc1CN1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000952862959 1032663983 /nfs/dbraw/zinc/66/39/83/1032663983.db2.gz SYJAULJMVKXSOR-INIZCTEOSA-N 1 0 304.434 3.641 50 0 DHAARO Cc1cc2[nH]c(C[NH2+]C[C@H]3CCC[C@@H](CO)C3)cc2c(C)c1 ZINC000952845952 1032664654 /nfs/dbraw/zinc/66/46/54/1032664654.db2.gz SPRUZCRZKYKZTO-JKSUJKDBSA-N 1 0 300.446 3.673 50 0 DHAARO c1ccc2nc(NCC3([NH+]4CCCCC4)CCCC3)cnc2c1 ZINC000952960161 1032671442 /nfs/dbraw/zinc/67/14/42/1032671442.db2.gz AVAUZIZZNLCFPF-UHFFFAOYSA-N 1 0 310.445 3.840 50 0 DHAARO c1cc2cccc(C[NH2+]CCN3CC[C@@H](c4ccccc4)C3)c2[nH]1 ZINC000952965525 1032671728 /nfs/dbraw/zinc/67/17/28/1032671728.db2.gz AHDGSKCNDQWIQZ-HXUWFJFHSA-N 1 0 319.452 3.747 50 0 DHAARO CC(C)CN(Cc1ccccc1)C(=O)C[NH+]1CCCCCC1 ZINC000952963539 1032673072 /nfs/dbraw/zinc/67/30/72/1032673072.db2.gz GZRTYTSJLNQUSV-UHFFFAOYSA-N 1 0 302.462 3.547 50 0 DHAARO Cc1c[nH]c(C[NH2+]CC[C@@H](c2ccco2)c2ccc(F)cc2)n1 ZINC000952971277 1032674683 /nfs/dbraw/zinc/67/46/83/1032674683.db2.gz JIQGCCSJTHEBIF-MRXNPFEDSA-N 1 0 313.376 3.762 50 0 DHAARO CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)cc1CO ZINC000952972484 1032676627 /nfs/dbraw/zinc/67/66/27/1032676627.db2.gz DCPXJAMVPOSAAM-OAHLLOKOSA-N 1 0 314.429 3.556 50 0 DHAARO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000952975567 1032677749 /nfs/dbraw/zinc/67/77/49/1032677749.db2.gz ZWRNVWIIRYEIGC-UHFFFAOYSA-N 1 0 320.440 3.731 50 0 DHAARO Cc1ccsc1C[NH2+][C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000952981774 1032681571 /nfs/dbraw/zinc/68/15/71/1032681571.db2.gz IPDBCWKCKJDFDB-MRXNPFEDSA-N 1 0 316.470 3.516 50 0 DHAARO Cc1ccccc1C[C@@]1(CO)CCC[N@@H+](C2CCSCC2)C1 ZINC000012021730 1019734058 /nfs/dbraw/zinc/73/40/58/1019734058.db2.gz MPEPNKXVGNMTIM-IBGZPJMESA-N 1 0 319.514 3.508 50 0 DHAARO c1cncc(-c2ncc3c(n2)CCC[C@H]3[NH2+]CC2CCCC2)c1 ZINC000012053593 1019791722 /nfs/dbraw/zinc/79/17/22/1019791722.db2.gz MALAWBBRCHOPOX-QGZVFWFLSA-N 1 0 308.429 3.696 50 0 DHAARO CC(=O)N[C@@H]1CC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000820576803 1020197649 /nfs/dbraw/zinc/19/76/49/1020197649.db2.gz APDWSGUPACPPHJ-OAHLLOKOSA-N 1 0 324.449 3.765 50 0 DHAARO COc1cncc(/C=C/CC[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000568388759 1020305508 /nfs/dbraw/zinc/30/55/08/1020305508.db2.gz ROONRGPMNPCZRO-ZNNBYXKUSA-N 1 0 313.401 3.627 50 0 DHAARO CCC[N@H+](CC1CC1)C1CCN(CCc2ccccc2)CC1 ZINC000822907288 1020379595 /nfs/dbraw/zinc/37/95/95/1020379595.db2.gz GKLDJHHHFYOJOI-UHFFFAOYSA-N 1 0 300.490 3.816 50 0 DHAARO Cc1cc(C)c(CN(C)Cc2nccs2)c(-n2cccn2)c1 ZINC000823701092 1020444801 /nfs/dbraw/zinc/44/48/01/1020444801.db2.gz OPEWYZPYKXRICF-UHFFFAOYSA-N 1 0 312.442 3.578 50 0 DHAARO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CCCCC1 ZINC000177208272 1020516483 /nfs/dbraw/zinc/51/64/83/1020516483.db2.gz PLOYMELJMNBMQO-INIZCTEOSA-N 1 0 314.473 3.867 50 0 DHAARO Fc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000826621359 1020716863 /nfs/dbraw/zinc/71/68/63/1020716863.db2.gz MAFRLIICVFDBGL-SFHVURJKSA-N 1 0 322.387 3.948 50 0 DHAARO CCCn1c(C)cnc1[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000575316423 1020945805 /nfs/dbraw/zinc/94/58/05/1020945805.db2.gz NHNLMOSLGOBUKY-HNNXBMFYSA-N 1 0 303.475 3.961 50 0 DHAARO Cc1cnc(-c2ccncc2)n1[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000575550456 1020975417 /nfs/dbraw/zinc/97/54/17/1020975417.db2.gz WJQGPHPLCMDLHG-SFHVURJKSA-N 1 0 310.445 3.833 50 0 DHAARO C[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000002498489 1021106931 /nfs/dbraw/zinc/10/69/31/1021106931.db2.gz SGQHRGPXIXKVER-FXAWDEMLSA-N 1 0 300.490 3.862 50 0 DHAARO CC[C@H](NCc1cccc2c1OC(F)(F)O2)c1c(C)noc1C ZINC000414368745 1021141859 /nfs/dbraw/zinc/14/18/59/1021141859.db2.gz SJPOJZUNVWPYAY-LBPRGKRZSA-N 1 0 324.327 3.854 50 0 DHAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H](O)C3)ccc21 ZINC000003684198 1021243070 /nfs/dbraw/zinc/24/30/70/1021243070.db2.gz FNDKJWBXYGZEKO-MRXNPFEDSA-N 1 0 308.425 3.771 50 0 DHAARO Cl/C(=C\c1ccccc1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020599739 1021805708 /nfs/dbraw/zinc/80/57/08/1021805708.db2.gz HLNBXRYHKSWNID-FDWYHIAWSA-N 1 0 304.865 3.827 50 0 DHAARO Cc1c[nH+]c(C)n1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000581807889 1021849754 /nfs/dbraw/zinc/84/97/54/1021849754.db2.gz GUHQXOZYQJLCSL-UHFFFAOYSA-N 1 0 317.477 3.709 50 0 DHAARO CC(C)Cn1nc([C@H]2CCCC[N@@H+]2CC(C)C)c2c1CCOC2 ZINC000675012086 1022743430 /nfs/dbraw/zinc/74/34/30/1022743430.db2.gz WYXZOVPFQIYNFI-GOSISDBHSA-N 1 0 319.493 3.795 50 0 DHAARO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000236702798 1023243202 /nfs/dbraw/zinc/24/32/02/1023243202.db2.gz IRBDOTHNVCBXSV-SNVBAGLBSA-N 1 0 317.260 3.936 50 0 DHAARO C[C@H](CNC(=O)Nc1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000012223540 1023380322 /nfs/dbraw/zinc/38/03/22/1023380322.db2.gz IHOSEXFZLLQUKJ-CYBMUJFWSA-N 1 0 309.841 3.582 50 0 DHAARO CCC[C@@H](C)NC(=O)CN(C)Cc1csc2ccccc12 ZINC000046089532 1023663159 /nfs/dbraw/zinc/66/31/59/1023663159.db2.gz GUOMTOGQOZAPKK-CYBMUJFWSA-N 1 0 304.459 3.638 50 0 DHAARO COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000004982722 1024152900 /nfs/dbraw/zinc/15/29/00/1024152900.db2.gz ARZOOODAWDOBHI-SFHVURJKSA-N 1 0 310.397 3.595 50 0 DHAARO C/C(=C/c1ccccc1)C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000514740121 1024509552 /nfs/dbraw/zinc/50/95/52/1024509552.db2.gz RPWCTJNJBYYWPW-VKAVYKQESA-N 1 0 314.473 3.717 50 0 DHAARO O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CCC2(CCCC2)C1 ZINC000215788250 1024524783 /nfs/dbraw/zinc/52/47/83/1024524783.db2.gz QFYGQOSEBMRQFF-GOSISDBHSA-N 1 0 312.457 3.560 50 0 DHAARO C[C@H](/C=C/c1ccccn1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000888099279 1024704036 /nfs/dbraw/zinc/70/40/36/1024704036.db2.gz YLIWVEGOELKEQW-WADNSWHXSA-N 1 0 311.429 3.503 50 0 DHAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1OC ZINC000006715131 1025127874 /nfs/dbraw/zinc/12/78/74/1025127874.db2.gz JHKOQCWPGGIPQZ-KRWDZBQOSA-N 1 0 312.413 3.826 50 0 DHAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)on1 ZINC000075448500 1025841497 /nfs/dbraw/zinc/84/14/97/1025841497.db2.gz XQRXPOJDSSLVBP-INIZCTEOSA-N 1 0 308.385 3.710 50 0 DHAARO COC[C@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)C1CC1 ZINC000130674540 1028411724 /nfs/dbraw/zinc/41/17/24/1028411724.db2.gz AOXDUUTZNYEOBY-KRWDZBQOSA-N 1 0 316.376 3.528 50 0 DHAARO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(C(N)=O)cc2)o1 ZINC000076120597 1028559109 /nfs/dbraw/zinc/55/91/09/1028559109.db2.gz WJDJWQUPNWNYDY-SUMWQHHRSA-N 1 0 312.413 3.660 50 0 DHAARO CCc1ccccc1Cc1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000585084237 1029642532 /nfs/dbraw/zinc/64/25/32/1029642532.db2.gz PZRJAHVVUSBTFD-UHFFFAOYSA-N 1 0 311.429 3.565 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(OC)c1OC ZINC000005729774 1030332828 /nfs/dbraw/zinc/33/28/28/1030332828.db2.gz AOWNHSTZDKEGII-GOEBONIOSA-N 1 0 319.445 3.867 50 0 DHAARO CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000630061012 1031606352 /nfs/dbraw/zinc/60/63/52/1031606352.db2.gz VTUFEUYOEULELE-MJQMVNBJSA-N 1 0 317.477 3.612 50 0 DHAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CCC(C)CC2)c1C ZINC000007058904 1035281216 /nfs/dbraw/zinc/28/12/16/1035281216.db2.gz GZLIWOLYPLEXFD-ZTUNLMCQSA-N 1 0 305.462 3.520 50 0 DHAARO CC[NH+]1CCN(C(=O)/C=C/c2cccc(-c3ccccc3)c2)CC1 ZINC000084789230 1039454602 /nfs/dbraw/zinc/45/46/02/1039454602.db2.gz LEHQDVCBDGRRNA-VAWYXSNFSA-N 1 0 320.436 3.531 50 0 DHAARO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1cccnc1 ZINC000158557091 1039570674 /nfs/dbraw/zinc/57/06/74/1039570674.db2.gz ONNZPZYNTRJBPK-GPWPYBQESA-N 1 0 321.424 3.565 50 0 DHAARO O=C(c1ccc2ccccc2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000076925877 185055905 /nfs/dbraw/zinc/05/59/05/185055905.db2.gz IBTJSQSXMKHUAS-IBGZPJMESA-N 1 0 308.425 3.540 50 0 DHAARO O=C(c1ccc2ccccc2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000076925878 185056050 /nfs/dbraw/zinc/05/60/50/185056050.db2.gz IBTJSQSXMKHUAS-LJQANCHMSA-N 1 0 308.425 3.540 50 0 DHAARO CC(C)C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1 ZINC000079015302 185146361 /nfs/dbraw/zinc/14/63/61/185146361.db2.gz IDPFXIURGIFVBL-IBGZPJMESA-N 1 0 310.441 3.793 50 0 DHAARO CN(C)C(=O)c1ccc(CNc2cc[nH+]c3cc(F)ccc23)cc1 ZINC000079096574 185158166 /nfs/dbraw/zinc/15/81/66/185158166.db2.gz MOGBZVLAIMFNTQ-UHFFFAOYSA-N 1 0 323.371 3.688 50 0 DHAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000089949164 185270967 /nfs/dbraw/zinc/27/09/67/185270967.db2.gz LCPWTHKQZJGCAU-YOEHRIQHSA-N 1 0 316.470 3.638 50 0 DHAARO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1(SC)CCOCC1 ZINC000090113497 185282603 /nfs/dbraw/zinc/28/26/03/185282603.db2.gz WPCHHTHFURVBNU-CQSZACIVSA-N 1 0 309.475 3.566 50 0 DHAARO CCC[C@@H]1CN(Cc2c(F)ccc(F)c2Cl)C[C@H]1[NH+](C)C ZINC000082107794 192355998 /nfs/dbraw/zinc/35/59/98/192355998.db2.gz JFIKEXXVUSBFPR-IAQYHMDHSA-N 1 0 316.823 3.780 50 0 DHAARO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000000568285 190615553 /nfs/dbraw/zinc/61/55/53/190615553.db2.gz GCIYMMAXYUNVFZ-UHFFFAOYSA-N 1 0 300.377 3.920 50 0 DHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(F)cccc1Cl)C2 ZINC000095390310 185351476 /nfs/dbraw/zinc/35/14/76/185351476.db2.gz LPWQPDVRFJAZHT-UONOGXRCSA-N 1 0 310.844 3.785 50 0 DHAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCCC2)cc1 ZINC000095404425 185355434 /nfs/dbraw/zinc/35/54/34/185355434.db2.gz KBXOZDKGSSXJRM-KGLIPLIRSA-N 1 0 304.434 3.581 50 0 DHAARO C[N@H+](CCc1ccncc1)Cc1ncc(-c2ccccc2F)o1 ZINC000181468519 199302165 /nfs/dbraw/zinc/30/21/65/199302165.db2.gz OABKZDPWYVFYSB-UHFFFAOYSA-N 1 0 311.360 3.550 50 0 DHAARO C[C@H]([NH2+]CCCn1ccnc1)c1nc(-c2ccccc2)cs1 ZINC000095419104 185359682 /nfs/dbraw/zinc/35/96/82/185359682.db2.gz UVEPHHNWSUNNCS-AWEZNQCLSA-N 1 0 312.442 3.748 50 0 DHAARO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000095419323 185359963 /nfs/dbraw/zinc/35/99/63/185359963.db2.gz JYLDHIHPOQQMMP-AWEZNQCLSA-N 1 0 302.443 3.524 50 0 DHAARO CC(C)n1cc([C@H](C)[NH2+]CCc2ccc(-n3cccn3)cc2)cn1 ZINC000095419900 185360219 /nfs/dbraw/zinc/36/02/19/185360219.db2.gz DZXMAMONHSTJDN-INIZCTEOSA-N 1 0 323.444 3.543 50 0 DHAARO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095419637 185360263 /nfs/dbraw/zinc/36/02/63/185360263.db2.gz ASNMCXODCAGPAH-DJJJIMSYSA-N 1 0 324.424 3.992 50 0 DHAARO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000095423393 185361278 /nfs/dbraw/zinc/36/12/78/185361278.db2.gz QTNIENXVWLGHLX-IMJJTQAJSA-N 1 0 320.502 3.840 50 0 DHAARO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cncn3)c2)cc1 ZINC000095423555 185361174 /nfs/dbraw/zinc/36/11/74/185361174.db2.gz SVUWTKHIJQWCLK-HUUCEWRRSA-N 1 0 322.412 3.688 50 0 DHAARO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000097014467 185397301 /nfs/dbraw/zinc/39/73/01/185397301.db2.gz BRSSXUUEBBKWCU-NEPJUHHUSA-N 1 0 324.387 3.564 50 0 DHAARO Cc1cnc(C)c(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071748444 191021118 /nfs/dbraw/zinc/02/11/18/191021118.db2.gz IZWVJPARUZKXNV-KRWDZBQOSA-N 1 0 311.429 3.541 50 0 DHAARO CC(C)c1nccn1C[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000071751866 191024108 /nfs/dbraw/zinc/02/41/08/191024108.db2.gz HBVOXGMIKDCERR-KRWDZBQOSA-N 1 0 301.409 3.983 50 0 DHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Nc2cccc(Cl)c2)C1 ZINC000072117738 191038829 /nfs/dbraw/zinc/03/88/29/191038829.db2.gz CNGZWVXWCGIHOB-KBPBESRZSA-N 1 0 323.868 3.830 50 0 DHAARO Cc1nc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)co1 ZINC000072121937 191040786 /nfs/dbraw/zinc/04/07/86/191040786.db2.gz UNKMZAOOSSJFFL-KRWDZBQOSA-N 1 0 300.402 3.676 50 0 DHAARO Cc1[nH+]c(CN(C)Cc2cccc3ncccc23)c2ccccn12 ZINC000072147732 191053105 /nfs/dbraw/zinc/05/31/05/191053105.db2.gz DTBFRYINVNCLFT-UHFFFAOYSA-N 1 0 316.408 3.823 50 0 DHAARO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000072147500 191053469 /nfs/dbraw/zinc/05/34/69/191053469.db2.gz BPQDEHMQASKPSW-GOSISDBHSA-N 1 0 310.397 3.595 50 0 DHAARO Cc1cnccc1Cn1ccnc1-c1ccc([C@H](C)[NH+](C)C)cc1 ZINC000072151533 191055639 /nfs/dbraw/zinc/05/56/39/191055639.db2.gz DHTSEVTWRXHWCG-INIZCTEOSA-N 1 0 320.440 3.924 50 0 DHAARO O=C(Nc1cccc2ncccc21)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072158808 191060394 /nfs/dbraw/zinc/06/03/94/191060394.db2.gz FXUQJQKFWNRDAC-CQSZACIVSA-N 1 0 317.392 3.564 50 0 DHAARO c1ccc(-c2noc(C3CC[NH+](Cc4ccccn4)CC3)n2)cc1 ZINC000072157187 191061041 /nfs/dbraw/zinc/06/10/41/191061041.db2.gz CAEROECAUNQGRC-UHFFFAOYSA-N 1 0 320.396 3.511 50 0 DHAARO OCCC[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072162180 191062294 /nfs/dbraw/zinc/06/22/94/191062294.db2.gz BSRQQKNGNFTIHE-CQSZACIVSA-N 1 0 315.379 3.732 50 0 DHAARO Cc1c[nH+]ccc1NCCn1ccnc1-c1cccc(F)c1F ZINC000072170484 191067818 /nfs/dbraw/zinc/06/78/18/191067818.db2.gz PJWQAWLWUYQIQA-UHFFFAOYSA-N 1 0 314.339 3.644 50 0 DHAARO Fc1ccccc1-n1cc(CN2CCC[C@@H]2c2ccccn2)cn1 ZINC000072172837 191070136 /nfs/dbraw/zinc/07/01/36/191070136.db2.gz KPYOIZWFMVFVMX-LJQANCHMSA-N 1 0 322.387 3.744 50 0 DHAARO C[NH+](C)[C@@H](CNc1ccc2cc[nH]c2n1)c1ccccc1Cl ZINC000072417771 191155536 /nfs/dbraw/zinc/15/55/36/191155536.db2.gz PVEBNHXJCSAMPW-HNNXBMFYSA-N 1 0 314.820 3.931 50 0 DHAARO CC(C)(C)c1ccc(CC[C@H]2OC[C@H](C[NH+]3CCCC3)O2)cc1 ZINC000000313346 180756835 /nfs/dbraw/zinc/75/68/35/180756835.db2.gz CIMCOJULBOGSHT-OALUTQOASA-N 1 0 317.473 3.754 50 0 DHAARO Cc1ccc(C)c([N+]2=C3CCCCN3[C@@](O)(c3ccccc3)C2)c1 ZINC000002966278 180972668 /nfs/dbraw/zinc/97/26/68/180972668.db2.gz GAXYTPRNSUWQIW-NRFANRHFSA-N 1 0 321.444 3.564 50 0 DHAARO Cc1cc(C)cc(C[C@@](O)(c2ccccc2)[C@@H](C)C[NH+](C)C)c1 ZINC000003200654 180990923 /nfs/dbraw/zinc/99/09/23/180990923.db2.gz LUNIEBFSQFLIRQ-RXVVDRJESA-N 1 0 311.469 3.931 50 0 DHAARO Cn1c2ccccc2[n+](C)c1COc1ccc(Cl)cc1Cl ZINC000003878715 181051883 /nfs/dbraw/zinc/05/18/83/181051883.db2.gz BZHSTRQZAAZSCI-UHFFFAOYSA-N 1 0 322.215 3.889 50 0 DHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccccc1 ZINC000004007042 181061608 /nfs/dbraw/zinc/06/16/08/181061608.db2.gz QMVOVIVYPUFDEL-MJGOQNOKSA-N 1 0 321.424 3.835 50 0 biogenic DHAARO CC(=O)N[C@]1(c2ccccc2)CC[N@@H+](C)[C@H](c2ccccc2)[C@H]1C ZINC000004011763 181062223 /nfs/dbraw/zinc/06/22/23/181062223.db2.gz LTMCHGVWSAGBIT-TYCQWZJGSA-N 1 0 322.452 3.731 50 0 DHAARO CCCC[C@@H](C(=O)Nc1cccc2c1O[C@H](C)C2)[NH+](CC)CC ZINC000004062143 181067845 /nfs/dbraw/zinc/06/78/45/181067845.db2.gz MIVCUTMQBVUNCD-PBHICJAKSA-N 1 0 318.461 3.849 50 0 biogenic DHAARO CCCC[C@@H](C(=O)Nc1cccc2c1O[C@@H](C)C2)[NH+](CC)CC ZINC000004062145 181068229 /nfs/dbraw/zinc/06/82/29/181068229.db2.gz MIVCUTMQBVUNCD-YOEHRIQHSA-N 1 0 318.461 3.849 50 0 biogenic DHAARO CC(C)Oc1c(Cl)cc(C[NH2+]C(C)(C)CO)cc1Cl ZINC000004258164 181088794 /nfs/dbraw/zinc/08/87/94/181088794.db2.gz BWAMGUPMYBJBPW-UHFFFAOYSA-N 1 0 306.233 3.641 50 0 DHAARO CCC(=O)O[C@]1(Cc2ccc(CC)cc2)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000004474252 181111239 /nfs/dbraw/zinc/11/12/39/181111239.db2.gz KOYICGYXDCTHSW-YRNRMSPPSA-N 1 0 317.473 3.844 50 0 DHAARO C[NH+](C)CCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000004603302 181129148 /nfs/dbraw/zinc/12/91/48/181129148.db2.gz BZWUYLMBJJQZMS-UHFFFAOYSA-N 1 0 304.478 3.573 50 0 DHAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000004680434 181136084 /nfs/dbraw/zinc/13/60/84/181136084.db2.gz VPKUVLLRZBDQEJ-INIZCTEOSA-N 1 0 316.489 3.937 50 0 DHAARO CCC[C@@](O)(CC[NH+]1CCCCC1)c1ccc(OCC)cc1 ZINC000004716294 181141630 /nfs/dbraw/zinc/14/16/30/181141630.db2.gz YOQFXMGOEPNAED-LJQANCHMSA-N 1 0 305.462 3.949 50 0 DHAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)[NH2+]CC2 ZINC000004731374 181144048 /nfs/dbraw/zinc/14/40/48/181144048.db2.gz INWMRQARFUAODH-CFVMTHIKSA-N 1 0 300.229 3.949 50 0 DHAARO [NH3+]CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004891095 181168662 /nfs/dbraw/zinc/16/86/62/181168662.db2.gz ILJLWSUNJBOTCX-UHFFFAOYSA-N 1 0 316.448 3.917 50 0 DHAARO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000073553334 191326703 /nfs/dbraw/zinc/32/67/03/191326703.db2.gz LNPLWMHRKHEDTH-HXUWFJFHSA-N 1 0 322.452 3.596 50 0 DHAARO COc1ccc(Br)cc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004989255 181186193 /nfs/dbraw/zinc/18/61/93/181186193.db2.gz FZIRFTYTVDUSAZ-VXGBXAGGSA-N 1 0 312.251 3.936 50 0 DHAARO CCC[NH+]1CCN(C(=S)Nc2ccc([C@@H](C)CC)cc2)CC1 ZINC000005041630 181195217 /nfs/dbraw/zinc/19/52/17/181195217.db2.gz DSMBFUCEHVPFHH-HNNXBMFYSA-N 1 0 319.518 3.925 50 0 DHAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000005049983 181196882 /nfs/dbraw/zinc/19/68/82/181196882.db2.gz OUWLRPBCDXCDNQ-OFQRWUPVSA-N 1 0 311.853 3.651 50 0 DHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1F ZINC000005417982 181241288 /nfs/dbraw/zinc/24/12/88/181241288.db2.gz DRHCPEMGRJKTQJ-APWZRJJASA-N 1 0 324.399 3.582 50 0 DHAARO CCc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000005694608 181273553 /nfs/dbraw/zinc/27/35/53/181273553.db2.gz QFVLSRLZFGSLHN-UHFFFAOYSA-N 1 0 319.518 3.845 50 0 DHAARO C[NH+](C)CC/C=C1\c2ccccc2C[S@](=O)c2ccccc21 ZINC000005764823 181281645 /nfs/dbraw/zinc/28/16/45/181281645.db2.gz NBNPVRZHUPMVQS-JRVGGCGHSA-N 1 0 311.450 3.691 50 0 DHAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237513212 202267758 /nfs/dbraw/zinc/26/77/58/202267758.db2.gz VZDBZZIDDKUOBW-NWDGAFQWSA-N 1 0 320.820 3.594 50 0 DHAARO CC[C@H](C)[C@H]([NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006555313 181354144 /nfs/dbraw/zinc/35/41/44/181354144.db2.gz YLLWFPVPWZUFOD-DJJJIMSYSA-N 1 0 309.409 3.716 50 0 DHAARO CC[C@H](C)[C@@H]([NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006555314 181354290 /nfs/dbraw/zinc/35/42/90/181354290.db2.gz YLLWFPVPWZUFOD-ORAYPTAESA-N 1 0 309.409 3.716 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000006556677 181354481 /nfs/dbraw/zinc/35/44/81/181354481.db2.gz JHZGVRGOFWFLNQ-IAGOWNOFSA-N 1 0 305.462 3.590 50 0 DHAARO c1ccc(COc2cccc(C[NH2+]Cc3ccncc3)c2)cc1 ZINC000006701885 181373830 /nfs/dbraw/zinc/37/38/30/181373830.db2.gz QUBMTWSTHZWJAE-UHFFFAOYSA-N 1 0 304.393 3.950 50 0 DHAARO CCOC(=O)C1CC[NH+](CCCSc2ccc(C)cc2)CC1 ZINC000006703153 181374487 /nfs/dbraw/zinc/37/44/87/181374487.db2.gz MWGNRNUQIJDUBT-UHFFFAOYSA-N 1 0 321.486 3.752 50 0 DHAARO Cc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)o1 ZINC000091441646 193056316 /nfs/dbraw/zinc/05/63/16/193056316.db2.gz BJDSHFWQQDAKMZ-RBUKOAKNSA-N 1 0 310.441 3.684 50 0 DHAARO CC[C@]1(CO)CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000091664145 193087388 /nfs/dbraw/zinc/08/73/88/193087388.db2.gz GJAKZPBGCUWDDH-SFHVURJKSA-N 1 0 316.470 3.795 50 0 DHAARO COc1cccc(C[NH+]2CCC(c3nccn3C(C)C)CC2)c1 ZINC000092019896 193143739 /nfs/dbraw/zinc/14/37/39/193143739.db2.gz PKZAYJHVQZDMAK-UHFFFAOYSA-N 1 0 313.445 3.852 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(SC)cc1 ZINC000092231758 193177590 /nfs/dbraw/zinc/17/75/90/193177590.db2.gz HVEMXXXFSLGPKP-UHFFFAOYSA-N 1 0 300.427 3.770 50 0 DHAARO C[C@]1(CO)CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000093341061 193235676 /nfs/dbraw/zinc/23/56/76/193235676.db2.gz DAJWWGPBDHZTKQ-AWEZNQCLSA-N 1 0 319.392 3.893 50 0 DHAARO c1cncc(-c2cccc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)c2)c1 ZINC000093505916 193261505 /nfs/dbraw/zinc/26/15/05/193261505.db2.gz FWHWKMMKKANTJE-UXHICEINSA-N 1 0 308.425 3.750 50 0 DHAARO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000093737858 193298577 /nfs/dbraw/zinc/29/85/77/193298577.db2.gz WRQZBIYTGHVIJU-HOTGVXAUSA-N 1 0 303.446 3.601 50 0 DHAARO CNC(=O)c1cccc(C[NH2+][C@@H](CC(C)C)c2cccs2)c1 ZINC000096476716 193662535 /nfs/dbraw/zinc/66/25/35/193662535.db2.gz NXMRMTIACGTHAT-INIZCTEOSA-N 1 0 316.470 3.985 50 0 DHAARO COc1cc(C[NH2+]C(C)C)ccc1OCc1ccc(F)cc1 ZINC000010435867 181670460 /nfs/dbraw/zinc/67/04/60/181670460.db2.gz COOLZPYQLHTTAM-UHFFFAOYSA-N 1 0 303.377 3.911 50 0 DHAARO CCOc1ccc(C[NH2+]Cc2cccnc2)cc1Br ZINC000010315525 181664626 /nfs/dbraw/zinc/66/46/26/181664626.db2.gz PORJQNNOCNEOLR-UHFFFAOYSA-N 1 0 321.218 3.533 50 0 DHAARO CC(C)[NH+]1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000012382538 181754328 /nfs/dbraw/zinc/75/43/28/181754328.db2.gz WEDYXJBRVYBHTA-UHFFFAOYSA-N 1 0 320.502 3.620 50 0 DHAARO COc1ccccc1[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000012909030 181810566 /nfs/dbraw/zinc/81/05/66/181810566.db2.gz KHNWIUNHTKQBTG-OAHLLOKOSA-N 1 0 307.397 3.732 50 0 DHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837354 182020565 /nfs/dbraw/zinc/02/05/65/182020565.db2.gz VSMXKMOCLOTMTM-GOSISDBHSA-N 1 0 313.372 3.949 50 0 DHAARO CCOc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCC3)cc1 ZINC000015953384 182026473 /nfs/dbraw/zinc/02/64/73/182026473.db2.gz GGOXYHMJFSLXAN-UHFFFAOYSA-N 1 0 305.401 3.777 50 0 DHAARO Fc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000016450049 182044998 /nfs/dbraw/zinc/04/49/98/182044998.db2.gz LEFVXSXDMHMHMT-SFHVURJKSA-N 1 0 315.388 3.673 50 0 DHAARO CC[NH+]1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000016602772 182051845 /nfs/dbraw/zinc/05/18/45/182051845.db2.gz WNRHFKABPHEZTP-UHFFFAOYSA-N 1 0 322.861 3.769 50 0 DHAARO CCc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000017053521 182071181 /nfs/dbraw/zinc/07/11/81/182071181.db2.gz LNNAISAFCQQNDI-UHFFFAOYSA-N 1 0 315.461 3.731 50 0 DHAARO CC(C)[NH+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000017113364 182075585 /nfs/dbraw/zinc/07/55/85/182075585.db2.gz YWORHIMMPZULFK-QGZVFWFLSA-N 1 0 301.430 3.698 50 0 DHAARO Cc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019360129 182119189 /nfs/dbraw/zinc/11/91/89/182119189.db2.gz LEGQADSDIOYPOS-UHFFFAOYSA-N 1 0 319.452 3.794 50 0 DHAARO Clc1ccc(OCCCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000019720428 182138120 /nfs/dbraw/zinc/13/81/20/182138120.db2.gz YGZKFRIYHWYKBF-UHFFFAOYSA-N 1 0 318.244 3.875 50 0 DHAARO COc1ccc(Br)cc1C[NH2+]CCc1ccccc1 ZINC000019720816 182138199 /nfs/dbraw/zinc/13/81/99/182138199.db2.gz VZHJGGPHMBMFJZ-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO CCN(CC[NH+](CC)CC)Cc1ccccc1Br ZINC000019636040 182134696 /nfs/dbraw/zinc/13/46/96/182134696.db2.gz ANSXVBZJJMRUEA-UHFFFAOYSA-N 1 0 313.283 3.613 50 0 DHAARO CC(C)(C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019770259 182144383 /nfs/dbraw/zinc/14/43/83/182144383.db2.gz IGNLFCPWSGNRIH-UHFFFAOYSA-N 1 0 322.452 3.773 50 0 DHAARO CC(C)c1ccc([C@@H](C[NH3+])N2CCc3sccc3C2)cc1 ZINC000019770047 182144473 /nfs/dbraw/zinc/14/44/73/182144473.db2.gz JWGZANXWSYSDOX-QGZVFWFLSA-N 1 0 300.471 3.930 50 0 DHAARO c1coc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019781633 182147554 /nfs/dbraw/zinc/14/75/54/182147554.db2.gz INKZSTKRVQXMSD-UHFFFAOYSA-N 1 0 306.409 3.751 50 0 DHAARO CC(C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019782434 182148459 /nfs/dbraw/zinc/14/84/59/182148459.db2.gz ODGBWHYYEMQCDI-UHFFFAOYSA-N 1 0 310.441 3.530 50 0 DHAARO CSc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019842552 182155773 /nfs/dbraw/zinc/15/57/73/182155773.db2.gz MUAMSZXLXZJADT-KRWDZBQOSA-N 1 0 316.514 3.882 50 0 DHAARO CCc1ccc(C[NH+]2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000019842124 182155955 /nfs/dbraw/zinc/15/59/55/182155955.db2.gz APFIHFHHBZELPP-UHFFFAOYSA-N 1 0 324.468 3.575 50 0 DHAARO COc1ccc(CC[N@H+](C)Cc2sccc2C)cc1OC ZINC000019809285 182152827 /nfs/dbraw/zinc/15/28/27/182152827.db2.gz FVZKGCABVJCACA-UHFFFAOYSA-N 1 0 305.443 3.748 50 0 DHAARO O[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000019872432 182159244 /nfs/dbraw/zinc/15/92/44/182159244.db2.gz HMOCHMXWHVTYHE-GOSISDBHSA-N 1 0 311.356 3.909 50 0 DHAARO Cc1ccc(C(C)C)c(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020118231 182188918 /nfs/dbraw/zinc/18/89/18/182188918.db2.gz WLEZBYKAMHZLDO-IRXDYDNUSA-N 1 0 305.462 3.997 50 0 DHAARO CCC(C)(C)c1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000020118147 182189239 /nfs/dbraw/zinc/18/92/39/182189239.db2.gz BXXFXOWDJKDRCX-UHFFFAOYSA-N 1 0 305.462 3.865 50 0 DHAARO Cc1cccc(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000020211565 182197720 /nfs/dbraw/zinc/19/77/20/182197720.db2.gz XSDLPCVAJKZGJK-OAQYLSRUSA-N 1 0 323.484 3.529 50 0 DHAARO CCCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020271126 182202174 /nfs/dbraw/zinc/20/21/74/182202174.db2.gz JGAMKVRDOOSPDE-UHFFFAOYSA-N 1 0 322.452 3.775 50 0 DHAARO c1csc(-c2cccc(-c3ccn(CC[NH+]4CCCC4)n3)c2)n1 ZINC000020322136 182206720 /nfs/dbraw/zinc/20/67/20/182206720.db2.gz YNHOPGWQFRBSEX-UHFFFAOYSA-N 1 0 324.453 3.769 50 0 DHAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccnc3)cc2)C1 ZINC000020454759 182219507 /nfs/dbraw/zinc/21/95/07/182219507.db2.gz SWSYGGLCUIPDSV-HNNXBMFYSA-N 1 0 309.413 3.566 50 0 DHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)cc1)[NH2+]CC2 ZINC000020506856 182225985 /nfs/dbraw/zinc/22/59/85/182225985.db2.gz OZUNBSWLBHFONJ-LJQANCHMSA-N 1 0 315.388 3.858 50 0 DHAARO CC(C)CC[C@]1(CC[NH+]2CCN(C)CC2)CCO[C@@H](C(C)C)C1 ZINC000020648154 182241216 /nfs/dbraw/zinc/24/12/16/182241216.db2.gz IPORIWFJIBWFBV-UXHICEINSA-N 1 0 324.553 3.882 50 0 DHAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccccc1Cl ZINC000021175321 182268529 /nfs/dbraw/zinc/26/85/29/182268529.db2.gz FCHUEDCGQOFVGL-CYBMUJFWSA-N 1 0 321.852 3.726 50 0 DHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000021720978 182286715 /nfs/dbraw/zinc/28/67/15/182286715.db2.gz SJRCMALRLNXXJF-MRXNPFEDSA-N 1 0 300.402 3.891 50 0 DHAARO Cc1cc(C)c(-n2cccc2C[NH2+]C2CCN(C)CC2)c(C)c1 ZINC000022077801 182308585 /nfs/dbraw/zinc/30/85/85/182308585.db2.gz LUNRRXKMRNDRLW-UHFFFAOYSA-N 1 0 311.473 3.586 50 0 DHAARO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)o1 ZINC000022794466 182334812 /nfs/dbraw/zinc/33/48/12/182334812.db2.gz RLKDXZHWFMQTFG-NSHDSACASA-N 1 0 307.777 3.863 50 0 DHAARO C[C@@H]1C[N@@H+](CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1 ZINC000022920326 182340689 /nfs/dbraw/zinc/34/06/89/182340689.db2.gz GUDVQJXODNJRIJ-CALCHBBNSA-N 1 0 321.468 3.867 50 0 investigational DHAARO C[NH+](C)Cc1csc(-c2nc3c[nH]n(-c4ccccc4)c-3n2)c1 ZINC000023251077 182354312 /nfs/dbraw/zinc/35/43/12/182354312.db2.gz WINBGIOOEAALMY-UHFFFAOYSA-N 1 0 323.425 3.539 50 0 DHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000023282301 182355902 /nfs/dbraw/zinc/35/59/02/182355902.db2.gz JRFFUAKPYKWFKB-HXUWFJFHSA-N 1 0 306.453 3.675 50 0 DHAARO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c(OC)c1 ZINC000023280367 182355949 /nfs/dbraw/zinc/35/59/49/182355949.db2.gz VGWYSEMOMRGELR-AWEZNQCLSA-N 1 0 315.413 3.520 50 0 DHAARO C[NH+](C)Cc1ccccc1NC(=O)CCc1ccccc1Cl ZINC000024809002 182391814 /nfs/dbraw/zinc/39/18/14/182391814.db2.gz UCSCLVNZQOHRNI-UHFFFAOYSA-N 1 0 316.832 3.973 50 0 DHAARO c1ccc(OCc2nc3ccccc3n2C2CC[NH2+]CC2)cc1 ZINC000036261501 182811247 /nfs/dbraw/zinc/81/12/47/182811247.db2.gz VYIJMAVLAKPHGX-UHFFFAOYSA-N 1 0 307.397 3.540 50 0 DHAARO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000040017888 183028322 /nfs/dbraw/zinc/02/83/22/183028322.db2.gz XNARDKRWPUOOMJ-HNNXBMFYSA-N 1 0 310.441 3.835 50 0 DHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1F ZINC000040086933 183031946 /nfs/dbraw/zinc/03/19/46/183031946.db2.gz RDISUEHZGSWLNT-UHFFFAOYSA-N 1 0 316.351 3.813 50 0 DHAARO CC(C)c1ccc([C@H]2[NH2+]CC[C@]23c2ccccc2NC3=O)cc1 ZINC000040309981 183053344 /nfs/dbraw/zinc/05/33/44/183053344.db2.gz DWFMRWCKZQXXCA-QUCCMNQESA-N 1 0 306.409 3.735 50 0 biogenic DHAARO Cc1cc(OC[C@H]2CC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042770272 183306898 /nfs/dbraw/zinc/30/68/98/183306898.db2.gz CQNOWUVPNZTBSY-JTQLQIEISA-N 1 0 318.642 3.708 50 0 DHAARO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000042797187 183309679 /nfs/dbraw/zinc/30/96/79/183309679.db2.gz DBIXKTGONVDXBB-LBPRGKRZSA-N 1 0 316.376 3.644 50 0 DHAARO CSc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C)C3)n2)cc1 ZINC000057427600 184038013 /nfs/dbraw/zinc/03/80/13/184038013.db2.gz GLKVFBUTRGJMTH-LBPRGKRZSA-N 1 0 303.431 3.690 50 0 DHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000058181871 184085626 /nfs/dbraw/zinc/08/56/26/184085626.db2.gz RTSREYAJIPRGGX-SFHVURJKSA-N 1 0 323.440 3.720 50 0 DHAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@H](C)c1oc3ccccc3c1C)CN2 ZINC000058308402 184103481 /nfs/dbraw/zinc/10/34/81/184103481.db2.gz CEQFVOVFSWDWSY-CABCVRRESA-N 1 0 324.428 3.639 50 0 DHAARO CC(C)OC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000059387314 184138162 /nfs/dbraw/zinc/13/81/62/184138162.db2.gz RIEJIFKGHDJACK-UHFFFAOYSA-N 1 0 315.335 3.621 50 0 DHAARO c1ccc(-c2ncc3c(n2)CCC[C@H]3[NH2+]Cc2ccncc2)cc1 ZINC000064166831 184292632 /nfs/dbraw/zinc/29/26/32/184292632.db2.gz RRHISCCPUKCBMN-GOSISDBHSA-N 1 0 316.408 3.706 50 0 DHAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cccs3)C2)c1 ZINC000065393928 184334829 /nfs/dbraw/zinc/33/48/29/184334829.db2.gz UVCYZTXYDUTRBD-CYBMUJFWSA-N 1 0 303.427 3.755 50 0 DHAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cc2c(cc1Cl)OCO2 ZINC000065383892 184332854 /nfs/dbraw/zinc/33/28/54/184332854.db2.gz ODKHFUMAXAQNDM-GFCCVEGCSA-N 1 0 318.804 3.527 50 0 DHAARO CO[C@H](c1nc(C(C)C)nn1-c1cc[nH+]cc1C)c1ccccc1 ZINC000065454637 184347221 /nfs/dbraw/zinc/34/72/21/184347221.db2.gz PYNNGQLKAGTQCC-KRWDZBQOSA-N 1 0 322.412 3.830 50 0 DHAARO c1cnn(Cc2cccc(C[N@@H+]3CCC[C@H]3c3ccccn3)c2)c1 ZINC000065454859 184347596 /nfs/dbraw/zinc/34/75/96/184347596.db2.gz FHNJNFBZLOMIJR-FQEVSTJZSA-N 1 0 318.424 3.664 50 0 DHAARO Cc1ccc2c(c1)c(C[NH2+][C@@H](C)CCc1ccc(O)cc1)nn2C ZINC000065395070 184335319 /nfs/dbraw/zinc/33/53/19/184335319.db2.gz OVKXWWYBVVDEQR-HNNXBMFYSA-N 1 0 323.440 3.698 50 0 DHAARO CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]Cc1nc(-c3ccco3)no1)=CC2 ZINC000065399026 184336309 /nfs/dbraw/zinc/33/63/09/184336309.db2.gz ZTJXFQGNPZXTMW-KBPBESRZSA-N 1 0 313.401 3.802 50 0 DHAARO CCOc1ccccc1OCC[N@@H+]1CCc2sccc2C1 ZINC000065405436 184338061 /nfs/dbraw/zinc/33/80/61/184338061.db2.gz BBUOLEZEDBXKNW-UHFFFAOYSA-N 1 0 303.427 3.584 50 0 DHAARO Cc1ccc(C[N@@H+]2CCC=C(CCNC(=O)c3ccco3)C2)cc1 ZINC000065406501 184338433 /nfs/dbraw/zinc/33/84/33/184338433.db2.gz AONCERDECHKADL-UHFFFAOYSA-N 1 0 324.424 3.540 50 0 DHAARO O=C(/C=C/c1ccccc1)NCC1=CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000065526219 184359862 /nfs/dbraw/zinc/35/98/62/184359862.db2.gz WNJVPKHRZUPINU-FBRRREGBSA-N 1 0 322.452 3.557 50 0 DHAARO c1ccc(-c2ccc3ncccc3c2)c(C[NH+]2CCOCC2)c1 ZINC000065507560 184356478 /nfs/dbraw/zinc/35/64/78/184356478.db2.gz HERMQHZCDNSFMT-UHFFFAOYSA-N 1 0 304.393 3.734 50 0 DHAARO CC(C)CCC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065936442 184383055 /nfs/dbraw/zinc/38/30/55/184383055.db2.gz SYAGWQVGAUPGNB-UHFFFAOYSA-N 1 0 310.869 3.666 50 0 DHAARO C[NH+](C)C1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000069461778 184517198 /nfs/dbraw/zinc/51/71/98/184517198.db2.gz SANBUILDXBSWJW-UHFFFAOYSA-N 1 0 315.244 3.598 50 0 DHAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cnc2ccsc2c1 ZINC000247933231 256608474 /nfs/dbraw/zinc/60/84/74/256608474.db2.gz CFGSVLUNCTZOHA-PBXWNFIWSA-N 1 0 302.443 3.760 50 0 DHAARO Cc1ccc(OC[C@@H]2CCCN(Cc3cscn3)C2)cc1 ZINC000216481282 257273403 /nfs/dbraw/zinc/27/34/03/257273403.db2.gz IBGIJNKNRBLBBH-OAHLLOKOSA-N 1 0 302.443 3.743 50 0 DHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000237380615 257239297 /nfs/dbraw/zinc/23/92/97/257239297.db2.gz QREYRLTUFLAPBH-JVGQSUMCSA-N 1 0 314.473 3.689 50 0 DHAARO COc1ccc(-c2cn(-c3ccccc3)c3cccc[n+]23)cc1 ZINC000000388836 257266577 /nfs/dbraw/zinc/26/65/77/257266577.db2.gz VXKXDWUYGXRBAJ-UHFFFAOYSA-N 1 0 301.369 3.892 50 0 DHAARO C[N@H+](C1CCCCC1)C1CCN(CCc2ccccc2)CC1 ZINC000003683200 257267385 /nfs/dbraw/zinc/26/73/85/257267385.db2.gz SUDQHQRIKPKQJK-UHFFFAOYSA-N 1 0 300.490 3.958 50 0 DHAARO COc1cccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000055543304 134777965 /nfs/dbraw/zinc/77/79/65/134777965.db2.gz LWMOXXJKLDSGLY-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO C[C@@H]([NH2+]C1(CN[C@@H](C)c2cnccn2)CCCC1)c1ccccc1 ZINC000095422915 262546000 /nfs/dbraw/zinc/54/60/00/262546000.db2.gz GCYSLJZYIUAWLE-SJORKVTESA-N 1 0 324.472 3.791 50 0 DHAARO [NH3+]Cc1cccc(C(=O)N(CCc2ccccc2)C2CCCC2)c1 ZINC000534589990 334293860 /nfs/dbraw/zinc/29/38/60/334293860.db2.gz FFTQPRNDVFSXEX-UHFFFAOYSA-N 1 0 322.452 3.773 50 0 DHAARO COc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)ncc1F ZINC000534590114 334294169 /nfs/dbraw/zinc/29/41/69/334294169.db2.gz LPBUVMPAQDSDPT-ZDUSSCGKSA-N 1 0 315.392 3.838 50 0 DHAARO Cc1cccc(N2CCC([NH2+]Cc3nccn3C(C)C)CC2)c1 ZINC000534654367 334313103 /nfs/dbraw/zinc/31/31/03/334313103.db2.gz HEMOPLBUJNDWIK-UHFFFAOYSA-N 1 0 312.461 3.531 50 0 DHAARO Cc1nccn1CC[C@@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534658905 334315036 /nfs/dbraw/zinc/31/50/36/334315036.db2.gz UFTBJYFXYJLTQU-CQSZACIVSA-N 1 0 317.864 3.988 50 0 DHAARO CC(C)[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cccnc1 ZINC000534664727 334318268 /nfs/dbraw/zinc/31/82/68/334318268.db2.gz MXSFCSVPWZETIJ-IBGZPJMESA-N 1 0 313.445 3.626 50 0 DHAARO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C1CCCC1 ZINC000534667092 334319028 /nfs/dbraw/zinc/31/90/28/334319028.db2.gz MQPYXIMFDBJPDB-QGZVFWFLSA-N 1 0 320.864 3.783 50 0 DHAARO CCCCO[P@](C)(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000012656926 337256316 /nfs/dbraw/zinc/25/63/16/337256316.db2.gz MHYQTYYTGDIMIE-SIFCLUCFSA-N 1 0 303.383 3.907 50 0 biogenic DHAARO C[NH+](C)[C@@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000469992766 339307281 /nfs/dbraw/zinc/30/72/81/339307281.db2.gz QPUQEYDNAYTHFP-ZCYBBYNQSA-N 1 0 318.505 3.536 50 0 DHAARO CC(=O)N1CCC(CC[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000095969187 563933377 /nfs/dbraw/zinc/93/33/77/563933377.db2.gz VEFGWXSOAYTZJR-INIZCTEOSA-N 1 0 302.462 3.603 50 0 DHAARO CCC[C@H](Cc1ccccc1)C(=O)OCC(C)(C)C[NH+](C)C ZINC000002998543 563320559 /nfs/dbraw/zinc/32/05/59/563320559.db2.gz FZHTXISFMCZHLX-QGZVFWFLSA-N 1 0 305.462 3.776 50 0 DHAARO CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](Oc1cccc(Cl)c1C[NH3+])C2 ZINC000013401036 563381083 /nfs/dbraw/zinc/38/10/83/563381083.db2.gz XDWGFIVVEJQCFN-BBWFWOEESA-N 1 0 309.837 3.914 50 0 DHAARO C[C@@H]([NH2+]Cc1csc(C2CCCC2)n1)[C@H](C)n1cccn1 ZINC000071882058 563211472 /nfs/dbraw/zinc/21/14/72/563211472.db2.gz DQNWDYFYRREUEE-OLZOCXBDSA-N 1 0 304.463 3.737 50 0 DHAARO C[NH+](C)CCNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000091239 563215811 /nfs/dbraw/zinc/21/58/11/563215811.db2.gz NHWMBOUDDPKQIB-UHFFFAOYSA-N 1 0 313.426 3.561 50 0 DHAARO COc1cccc(C(=O)CC[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000000177642 563227917 /nfs/dbraw/zinc/22/79/17/563227917.db2.gz VWHWKEXIFJIXIB-SFHVURJKSA-N 1 0 309.409 3.758 50 0 DHAARO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000000210235 563231155 /nfs/dbraw/zinc/23/11/55/563231155.db2.gz DOPDRYUBYVSJQU-UHFFFAOYSA-N 1 0 322.452 3.828 50 0 DHAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccccc1F ZINC000000383069 563248367 /nfs/dbraw/zinc/24/83/67/563248367.db2.gz BKUYBACBXMHXIA-CQSZACIVSA-N 1 0 301.361 3.503 50 0 DHAARO COc1ccccc1NC(=O)OCC1([NH+](C)C)CCCCC1 ZINC000000392515 563250064 /nfs/dbraw/zinc/25/00/64/563250064.db2.gz RUNZHJAEQPMFAV-UHFFFAOYSA-N 1 0 306.406 3.508 50 0 DHAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000001178528 563278665 /nfs/dbraw/zinc/27/86/65/563278665.db2.gz DJUIKQFCUPVGPB-UHFFFAOYSA-N 1 0 302.805 3.801 50 0 DHAARO C[N@H+](Cc1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000001229372 563279924 /nfs/dbraw/zinc/27/99/24/563279924.db2.gz YJAPHQMARSMSQG-UHFFFAOYSA-N 1 0 308.469 3.826 50 0 DHAARO OCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000002861109 563315729 /nfs/dbraw/zinc/31/57/29/563315729.db2.gz BHRGBUQJSKOLMX-UHFFFAOYSA-N 1 0 307.393 3.501 50 0 DHAARO Cc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000071899298 563326164 /nfs/dbraw/zinc/32/61/64/563326164.db2.gz KFFBURVPBHMDTM-UHFFFAOYSA-N 1 0 323.868 3.892 50 0 DHAARO COc1cc(CC[NH2+]C2CCC(C(F)(F)F)CC2)ccc1O ZINC000097379797 563343961 /nfs/dbraw/zinc/34/39/61/563343961.db2.gz MHUVDSZDGMFYEU-UHFFFAOYSA-N 1 0 317.351 3.654 50 0 DHAARO CC[C@H](C)[C@@H](C[NH+]1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000008326906 563345801 /nfs/dbraw/zinc/34/58/01/563345801.db2.gz FMEQBXKNQUWRIY-FUHWJXTLSA-N 1 0 318.461 3.766 50 0 DHAARO CCC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063157 563351369 /nfs/dbraw/zinc/35/13/69/563351369.db2.gz MQWJRYAOHOSEOH-INIZCTEOSA-N 1 0 302.462 3.512 50 0 DHAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062778 563351535 /nfs/dbraw/zinc/35/15/35/563351535.db2.gz GHZDLPVAVLQUAL-UHFFFAOYSA-N 1 0 324.424 3.546 50 0 DHAARO CC[NH+]1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000022796286 563352321 /nfs/dbraw/zinc/35/23/21/563352321.db2.gz ZTVINIAKHPUDQD-UHFFFAOYSA-N 1 0 324.453 3.500 50 0 DHAARO CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000011933286 563361093 /nfs/dbraw/zinc/36/10/93/563361093.db2.gz PRBBYPVSECLNTI-FQEVSTJZSA-N 1 0 314.473 3.610 50 0 DHAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)N1C1CCCCC1 ZINC000012245954 563365321 /nfs/dbraw/zinc/36/53/21/563365321.db2.gz NOGAMLQIILKONV-SFHVURJKSA-N 1 0 318.436 3.629 50 0 DHAARO CC1(C)CC(NC(=O)c2csc3c2CCCC3)CC(C)(C)[NH2+]1 ZINC000012274849 563365453 /nfs/dbraw/zinc/36/54/53/563365453.db2.gz GMQXDQJTBIXLCS-UHFFFAOYSA-N 1 0 320.502 3.666 50 0 DHAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012435338 563369858 /nfs/dbraw/zinc/36/98/58/563369858.db2.gz ZXCFLHNOPYRADT-IBGZPJMESA-N 1 0 312.461 3.620 50 0 DHAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012585169 563371806 /nfs/dbraw/zinc/37/18/06/563371806.db2.gz PGZYXUITEBJPNU-MRXNPFEDSA-N 1 0 314.429 3.959 50 0 DHAARO CC(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000012815889 563374754 /nfs/dbraw/zinc/37/47/54/563374754.db2.gz GRPBEANWPSRZKD-UHFFFAOYSA-N 1 0 310.441 3.687 50 0 DHAARO CCOC(=O)[C@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013859135 563390543 /nfs/dbraw/zinc/39/05/43/563390543.db2.gz BSGUUYVEWIQBEP-CQSZACIVSA-N 1 0 307.434 3.550 50 0 DHAARO Brc1ccc2cc(OC3CC[NH2+]CC3)ccc2c1 ZINC000014631952 563402303 /nfs/dbraw/zinc/40/23/03/563402303.db2.gz WJPWQXNBLIUFFO-UHFFFAOYSA-N 1 0 306.203 3.733 50 0 DHAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000014970249 563404843 /nfs/dbraw/zinc/40/48/43/563404843.db2.gz VMOPWNSVMMUJIX-HNNXBMFYSA-N 1 0 319.399 3.543 50 0 DHAARO O[C@@H]1/C(=C/c2cccc(OCc3ccccc3)c2)[NH+]2CCC1CC2 ZINC000015017013 563405181 /nfs/dbraw/zinc/40/51/81/563405181.db2.gz TZPWXBIINWJEEC-URBQWANRSA-N 1 0 321.420 3.693 50 0 DHAARO CC(C)(C)C(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 ZINC000017014546 563413397 /nfs/dbraw/zinc/41/33/97/563413397.db2.gz PRQFFQQBOMXXRY-UHFFFAOYSA-N 1 0 317.840 3.657 50 0 DHAARO CN(C)CC[NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000020548456 563417856 /nfs/dbraw/zinc/41/78/56/563417856.db2.gz SJTZTKSEPKJZMN-MOPGFXCFSA-N 1 0 318.505 3.517 50 0 DHAARO c1cc2ncnc(NCc3cccc(C[NH+]4CCCC4)c3)c2s1 ZINC000025502909 563423439 /nfs/dbraw/zinc/42/34/39/563423439.db2.gz YKBGGTZEPRCDQS-UHFFFAOYSA-N 1 0 324.453 3.899 50 0 DHAARO COC(=O)c1cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)oc1C ZINC000026228334 563425328 /nfs/dbraw/zinc/42/53/28/563425328.db2.gz HZFHVCJHBLWRFK-GOSISDBHSA-N 1 0 313.397 3.884 50 0 DHAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2c(C)noc2C)c1 ZINC000027279702 563427427 /nfs/dbraw/zinc/42/74/27/563427427.db2.gz BSDKFRWJDHOBIW-QGZVFWFLSA-N 1 0 316.401 3.646 50 0 DHAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2nc3ccccc3s2)c1 ZINC000072269835 563427971 /nfs/dbraw/zinc/42/79/71/563427971.db2.gz CKVKDJOPQLRVIX-STQMWFEESA-N 1 0 300.431 3.541 50 0 DHAARO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027604830 563428576 /nfs/dbraw/zinc/42/85/76/563428576.db2.gz BTJBMZFQQBHNOP-INIZCTEOSA-N 1 0 314.454 3.623 50 0 DHAARO CCc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)sc1C ZINC000027675617 563429338 /nfs/dbraw/zinc/42/93/38/563429338.db2.gz QOBUCOGIKBKESC-CYBMUJFWSA-N 1 0 322.499 3.713 50 0 DHAARO Cc1ccc([C@@H](CNC(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000027794357 563430028 /nfs/dbraw/zinc/43/00/28/563430028.db2.gz CAVBGLFXHSEFMB-MRXNPFEDSA-N 1 0 314.454 3.623 50 0 DHAARO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000027793204 563430089 /nfs/dbraw/zinc/43/00/89/563430089.db2.gz FPQOMHUFMBYCHS-FQEVSTJZSA-N 1 0 322.452 3.870 50 0 DHAARO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029482470 563434243 /nfs/dbraw/zinc/43/42/43/563434243.db2.gz IFXMNTPZMWPJOE-GOSISDBHSA-N 1 0 308.425 3.861 50 0 DHAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1C ZINC000029482393 563434331 /nfs/dbraw/zinc/43/43/31/563434331.db2.gz NMPWYYBEJKVLME-IBGZPJMESA-N 1 0 308.425 3.861 50 0 DHAARO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1cccc2ccccc21 ZINC000029597308 563435088 /nfs/dbraw/zinc/43/50/88/563435088.db2.gz ZBIRHPOFOVSPBM-INIZCTEOSA-N 1 0 310.441 3.749 50 0 DHAARO Clc1ccc([C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000032576283 563442669 /nfs/dbraw/zinc/44/26/69/563442669.db2.gz OTTBLMJKDCYQKY-MRXNPFEDSA-N 1 0 303.837 3.806 50 0 DHAARO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000033087110 563444095 /nfs/dbraw/zinc/44/40/95/563444095.db2.gz PILGVLAABXGSPG-GOSISDBHSA-N 1 0 301.409 3.985 50 0 DHAARO OC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000023280241 563448767 /nfs/dbraw/zinc/44/87/67/563448767.db2.gz WVDADVYSGCYRMN-ZDUSSCGKSA-N 1 0 305.805 3.804 50 0 DHAARO CCn1c(C)cc(C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)c1C ZINC000072310615 563448929 /nfs/dbraw/zinc/44/89/29/563448929.db2.gz XIJKTUJVQCQUFD-UHFFFAOYSA-N 1 0 323.440 3.598 50 0 DHAARO Cc1cc(Cl)cc(C)c1OCCCCC[NH+]1CCOCC1 ZINC000019720521 563449041 /nfs/dbraw/zinc/44/90/41/563449041.db2.gz SHBVSGQMSYOXDI-UHFFFAOYSA-N 1 0 311.853 3.838 50 0 DHAARO Fc1ccccc1N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000023283216 563450411 /nfs/dbraw/zinc/45/04/11/563450411.db2.gz OZHRNZWCSBPWLW-GOSISDBHSA-N 1 0 310.416 3.505 50 0 DHAARO C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccccc1C(F)(F)F ZINC000071824496 563461525 /nfs/dbraw/zinc/46/15/25/563461525.db2.gz ZGKAJJFQPXKEPR-ABAIWWIYSA-N 1 0 322.330 3.583 50 0 DHAARO CCCN(Cc1c(C)nn(C)c1Cl)Cc1ccccc1OC ZINC000055242451 563472647 /nfs/dbraw/zinc/47/26/47/563472647.db2.gz HRIPRYBCFNJMGK-UHFFFAOYSA-N 1 0 321.852 3.803 50 0 DHAARO COCCN(Cc1cccs1)Cc1ccc(C(C)=O)cc1 ZINC000055269483 563472674 /nfs/dbraw/zinc/47/26/74/563472674.db2.gz DWCDNXUYTQLDEP-UHFFFAOYSA-N 1 0 303.427 3.599 50 0 DHAARO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1cccc(OCCO)c1 ZINC000055270441 563473437 /nfs/dbraw/zinc/47/34/37/563473437.db2.gz WOOWASBKCIMNAW-MRXNPFEDSA-N 1 0 317.429 3.697 50 0 DHAARO Clc1cccc(N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000055292588 563473696 /nfs/dbraw/zinc/47/36/96/563473696.db2.gz XGFXKEDCIWKUGW-UHFFFAOYSA-N 1 0 312.844 3.629 50 0 DHAARO COc1ncc(C[N@@H+](Cc2sccc2C)CC(C)C)cn1 ZINC000055342938 563474481 /nfs/dbraw/zinc/47/44/81/563474481.db2.gz MYYZTSMGVWEURD-UHFFFAOYSA-N 1 0 305.447 3.513 50 0 DHAARO C[C@H](Cc1ccsc1)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000095423002 563477045 /nfs/dbraw/zinc/47/70/45/563477045.db2.gz JHRXELVACVQMQC-MRVPVSSYSA-N 1 0 306.378 3.944 50 0 DHAARO COc1ccc2c(c1)[C@H]([NH2+]CCc1ncc(C)s1)CCCO2 ZINC000096478438 563484370 /nfs/dbraw/zinc/48/43/70/563484370.db2.gz QSCGVVQWTAMJRX-OAHLLOKOSA-N 1 0 318.442 3.506 50 0 DHAARO Cc1ccc2c(cccc2-c2ccccc2CN2CC[NH2+]CC2)n1 ZINC000067691493 563488409 /nfs/dbraw/zinc/48/84/09/563488409.db2.gz LNEQYMUIHCIGKO-UHFFFAOYSA-N 1 0 317.436 3.615 50 0 DHAARO Cc1noc(C)c1C[NH2+]C1CCN(c2cccc(C)c2C)CC1 ZINC000067674694 563488660 /nfs/dbraw/zinc/48/86/60/563488660.db2.gz ROPFYBDQMRODHJ-UHFFFAOYSA-N 1 0 313.445 3.667 50 0 DHAARO COC(C)(C)C[C@@H](C)[NH2+]CCc1nc2c(ccc(C)c2C)[nH]1 ZINC000067643262 563488958 /nfs/dbraw/zinc/48/89/58/563488958.db2.gz WKYFJGVTKJKKAU-CYBMUJFWSA-N 1 0 303.450 3.515 50 0 DHAARO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(C)ccc3ccccc32)C1 ZINC000067975802 563494316 /nfs/dbraw/zinc/49/43/16/563494316.db2.gz GCHQROZGEDFSAO-SFHVURJKSA-N 1 0 324.468 3.886 50 0 DHAARO C[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000071375427 563498951 /nfs/dbraw/zinc/49/89/51/563498951.db2.gz NUQLYNLEYPLEMP-UHFFFAOYSA-N 1 0 320.742 3.639 50 0 DHAARO c1cn(CC2CC[NH+](CCc3ccccc3)CC2)c(C2CC2)n1 ZINC000071575591 563499651 /nfs/dbraw/zinc/49/96/51/563499651.db2.gz IUFQWYFDBPIDMG-UHFFFAOYSA-N 1 0 309.457 3.715 50 0 DHAARO CCCCc1ncc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)[nH]1 ZINC000072435820 563503362 /nfs/dbraw/zinc/50/33/62/563503362.db2.gz HJWFSOGZSDZKLG-AWEZNQCLSA-N 1 0 301.409 3.881 50 0 DHAARO c1cnn(CCC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000077387807 563509836 /nfs/dbraw/zinc/50/98/36/563509836.db2.gz KJYNERYZCIGRLD-UHFFFAOYSA-N 1 0 308.429 3.667 50 0 DHAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccncc2)cc1 ZINC000077518413 563512114 /nfs/dbraw/zinc/51/21/14/563512114.db2.gz PXPMBLVRLGPVBC-LJQANCHMSA-N 1 0 323.440 3.511 50 0 DHAARO CSc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c(C)o1 ZINC000585141858 563519138 /nfs/dbraw/zinc/51/91/38/563519138.db2.gz HCNFLVFWTLMEHK-UHFFFAOYSA-N 1 0 318.442 3.666 50 0 DHAARO COc1ccc(OC)c(CNc2ccc3c(c2)[nH+]c(C)n3C)c1 ZINC000000085885 563525619 /nfs/dbraw/zinc/52/56/19/563525619.db2.gz MVHMNGJHFDBSPK-UHFFFAOYSA-N 1 0 311.385 3.511 50 0 DHAARO Brc1ccc(SCCC2CC[NH2+]CC2)cc1 ZINC000095908639 563530680 /nfs/dbraw/zinc/53/06/80/563530680.db2.gz PSQQUTAMMFANSD-UHFFFAOYSA-N 1 0 300.265 3.931 50 0 DHAARO C[N@@H+]1CCCC[C@@H]1CCc1nc(-c2ccco2)nn1C(C)(C)C ZINC000096136407 563533617 /nfs/dbraw/zinc/53/36/17/563533617.db2.gz GJYCZJONTJVXMM-CQSZACIVSA-N 1 0 316.449 3.710 50 0 DHAARO C[C@@H](c1ccc(-c2ccc(CC(N)=O)cc2)cc1)[NH+]1CCCC1 ZINC000096159784 563534701 /nfs/dbraw/zinc/53/47/01/563534701.db2.gz PGGXKUDQQHLJSQ-HNNXBMFYSA-N 1 0 308.425 3.538 50 0 DHAARO Cc1ccc(-c2ccccc2CN2CC([NH+]3CCCCC3)C2)o1 ZINC000097506021 563539342 /nfs/dbraw/zinc/53/93/42/563539342.db2.gz OWAXEROSPBRNQI-UHFFFAOYSA-N 1 0 310.441 3.925 50 0 DHAARO Oc1ccc2cc(CN3CC[C@@H]([NH+]4CCCCC4)C3)ccc2c1 ZINC000097570810 563540222 /nfs/dbraw/zinc/54/02/22/563540222.db2.gz WMRJFHMYFCUEBF-LJQANCHMSA-N 1 0 310.441 3.606 50 0 DHAARO COCC[C@@H]1C[N@H+](Cc2ccccc2-c2ccccc2)CCO1 ZINC000097594712 563540368 /nfs/dbraw/zinc/54/03/68/563540368.db2.gz PRVRYSLTUUYZOX-LJQANCHMSA-N 1 0 311.425 3.591 50 0 DHAARO c1cnc2cccc(CN3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000097674412 563541206 /nfs/dbraw/zinc/54/12/06/563541206.db2.gz ZYLIQGHAFFLUJW-UHFFFAOYSA-N 1 0 309.457 3.685 50 0 DHAARO Oc1ccc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000097785519 563542524 /nfs/dbraw/zinc/54/25/24/563542524.db2.gz YROUJKKLHYWXNS-GOSISDBHSA-N 1 0 324.468 3.853 50 0 DHAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000247883905 563588896 /nfs/dbraw/zinc/58/88/96/563588896.db2.gz SFWUABOBSKXHPT-RKVPGOIHSA-N 1 0 318.436 3.752 50 0 DHAARO C[NH+](C)C1(CNC(=O)c2cccc3ccccc32)CCCCC1 ZINC000011917382 563602398 /nfs/dbraw/zinc/60/23/98/563602398.db2.gz ZLVHUICRPQDDPU-UHFFFAOYSA-N 1 0 310.441 3.834 50 0 DHAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCN1CCCCC1 ZINC000128262038 563605394 /nfs/dbraw/zinc/60/53/94/563605394.db2.gz FWZFXCLHMZAPDY-KRWDZBQOSA-N 1 0 300.446 3.508 50 0 DHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000128085700 563605497 /nfs/dbraw/zinc/60/54/97/563605497.db2.gz WWDJGBZWGWABDQ-SGTUBPSTSA-N 1 0 303.377 3.767 50 0 DHAARO C[C@H]1C[C@@H](N(C)Cc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000135132345 563608040 /nfs/dbraw/zinc/60/80/40/563608040.db2.gz GWOKUOYLVDTLMX-RDJZCZTQSA-N 1 0 315.486 3.628 50 0 DHAARO C[C@@H]1C[C@@H](N(C)Cc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000135132326 563608215 /nfs/dbraw/zinc/60/82/15/563608215.db2.gz GWOKUOYLVDTLMX-WBVHZDCISA-N 1 0 315.486 3.628 50 0 DHAARO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000163014632 563615235 /nfs/dbraw/zinc/61/52/35/563615235.db2.gz VKHCNQVUEUZTGC-UMVBOHGHSA-N 1 0 315.417 3.660 50 0 DHAARO CC(C)SCc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000236613247 563623441 /nfs/dbraw/zinc/62/34/41/563623441.db2.gz PZTIZKKBHBCQEZ-UHFFFAOYSA-N 1 0 306.475 3.656 50 0 DHAARO C[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)[NH2+]Cc1nccs1 ZINC000583651337 563651565 /nfs/dbraw/zinc/65/15/65/563651565.db2.gz LFJMGRUXZIAOEZ-LURJTMIESA-N 1 0 322.302 3.559 50 0 DHAARO c1nn(-c2ccccc2)c2ncnc(NCC3CCCCC3)c12 ZINC000012795951 563654112 /nfs/dbraw/zinc/65/41/12/563654112.db2.gz BJDSRUCLIFTHDU-UHFFFAOYSA-N 1 0 307.401 3.808 50 0 DHAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000103279601 563667424 /nfs/dbraw/zinc/66/74/24/563667424.db2.gz SVZBRBQBMJLVMX-YHUYYLMFSA-N 1 0 318.461 3.827 50 0 DHAARO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000107495465 563683949 /nfs/dbraw/zinc/68/39/49/563683949.db2.gz WJDABNWSGRIIQQ-HIFRSBDPSA-N 1 0 318.852 3.892 50 0 DHAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000047719689 563692476 /nfs/dbraw/zinc/69/24/76/563692476.db2.gz CPVCMGHCROMXRC-UHFFFAOYSA-N 1 0 318.367 3.993 50 0 DHAARO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCCCCC2)cc1 ZINC000048272956 563694924 /nfs/dbraw/zinc/69/49/24/563694924.db2.gz IIGOVRHAXHLWSV-OAHLLOKOSA-N 1 0 320.502 3.631 50 0 DHAARO C[C@H](CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000048374068 563698166 /nfs/dbraw/zinc/69/81/66/563698166.db2.gz NYEWLKFVPFIXQH-FGTMMUONSA-N 1 0 316.489 3.664 50 0 DHAARO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(OC(C)C)cc2)c1 ZINC000048712803 563699683 /nfs/dbraw/zinc/69/96/83/563699683.db2.gz ZICIDDFIUJRDJF-UHFFFAOYSA-N 1 0 312.413 3.722 50 0 DHAARO C[N@@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CCCCO1 ZINC000215135115 563704605 /nfs/dbraw/zinc/70/46/05/563704605.db2.gz YJSHHFDFEYHPJX-MRXNPFEDSA-N 1 0 304.821 3.889 50 0 DHAARO Cc1ccc(C[N@@H+](C)Cc2ccc(OC(C)C)c(CO)c2)s1 ZINC000215337636 563705816 /nfs/dbraw/zinc/70/58/16/563705816.db2.gz XHZJCCMVOFVBOP-UHFFFAOYSA-N 1 0 319.470 3.968 50 0 DHAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012328530 563714088 /nfs/dbraw/zinc/71/40/88/563714088.db2.gz NBRTXUVIQLBSEA-GOSISDBHSA-N 1 0 308.425 3.846 50 0 DHAARO COc1ccc(CNc2[nH+]cc(-c3cccc(OC)c3)n2C)cc1 ZINC000000819156 563721219 /nfs/dbraw/zinc/72/12/19/563721219.db2.gz MHKNBNGLLDVYGB-UHFFFAOYSA-N 1 0 323.396 3.716 50 0 DHAARO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1CO)CCS2 ZINC000390833627 563721498 /nfs/dbraw/zinc/72/14/98/563721498.db2.gz KNFJKLXBVSTLKU-QGZVFWFLSA-N 1 0 315.438 3.514 50 0 DHAARO CC(C)c1nc(CN(C)[C@@H](C[NH+](C)C)c2ccccc2)co1 ZINC000223064268 563730696 /nfs/dbraw/zinc/73/06/96/563730696.db2.gz ZTZDASDCJYVYPF-KRWDZBQOSA-N 1 0 301.434 3.533 50 0 DHAARO Cc1nc(CO[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3F)C2)cs1 ZINC000225407944 563754167 /nfs/dbraw/zinc/75/41/67/563754167.db2.gz JNOQCLPXZHBYEZ-IUODEOHRSA-N 1 0 320.433 3.943 50 0 DHAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2CCc2ccccn2)c1 ZINC000244811401 563779888 /nfs/dbraw/zinc/77/98/88/563779888.db2.gz SBZQFCGHEUPQEX-IBGZPJMESA-N 1 0 310.441 3.817 50 0 DHAARO CCC[NH2+]Cc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248109689 563782613 /nfs/dbraw/zinc/78/26/13/563782613.db2.gz QHLLOOGXRDQAHM-UHFFFAOYSA-N 1 0 320.440 3.801 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)C2CCCCC2)cc1 ZINC000052169260 563785645 /nfs/dbraw/zinc/78/56/45/563785645.db2.gz QVQBUKXHJWEZMW-UHFFFAOYSA-N 1 0 302.462 3.725 50 0 DHAARO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182820009 563793819 /nfs/dbraw/zinc/79/38/19/563793819.db2.gz BMJJLJFCUXXSGW-STQMWFEESA-N 1 0 324.350 3.695 50 0 DHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(-c2ccco2)c1 ZINC000299765421 563805731 /nfs/dbraw/zinc/80/57/31/563805731.db2.gz GNUATYQMBWYETA-INIZCTEOSA-N 1 0 313.401 3.552 50 0 DHAARO c1ccc([C@@H]2C[C@H](c3noc(CC4CC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299796782 563806396 /nfs/dbraw/zinc/80/63/96/563806396.db2.gz NYLKFFCBDKDDFP-BBWFWOEESA-N 1 0 309.413 3.715 50 0 DHAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000012676647 563809480 /nfs/dbraw/zinc/80/94/80/563809480.db2.gz VTEDKHOLAQXKLU-IFXJQAMLSA-N 1 0 324.424 3.763 50 0 DHAARO C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1 ZINC000084647774 563828848 /nfs/dbraw/zinc/82/88/48/563828848.db2.gz HFGYAZRIBYBFQD-YPMHNXCESA-N 1 0 307.800 3.904 50 0 DHAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCc2cccs2)c(C)c1 ZINC000012856311 563844715 /nfs/dbraw/zinc/84/47/15/563844715.db2.gz IIPYIYKTVOUPSA-HNNXBMFYSA-N 1 0 316.470 3.502 50 0 DHAARO Cc1[nH+]c(N)nc(N)c1/C=C/[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000075279547 563862949 /nfs/dbraw/zinc/86/29/49/563862949.db2.gz KXBLWJBWPHUIPI-QZGLAHODSA-N 1 0 322.334 3.785 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)c1ccoc1)c1csc2ccccc21 ZINC000575621494 563868241 /nfs/dbraw/zinc/86/82/41/563868241.db2.gz OUGVVVYCIXGFKL-HNNXBMFYSA-N 1 0 314.410 3.527 50 0 DHAARO CSC(SC)=C(c1nc2ccccc2[nH]1)[n+]1ccccc1 ZINC000006381824 563872868 /nfs/dbraw/zinc/87/28/68/563872868.db2.gz JDXWBZVPKHOYSP-UHFFFAOYSA-N 1 0 314.459 3.751 50 0 DHAARO CCc1nn(C)cc1C[NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000092372009 563882877 /nfs/dbraw/zinc/88/28/77/563882877.db2.gz DXXOHGXOWTZMLG-INIZCTEOSA-N 1 0 301.434 3.687 50 0 DHAARO CCc1ccc2oc(=O)cc(C[N@H+](C)Cc3ccccc3)c2c1 ZINC000054105863 563883419 /nfs/dbraw/zinc/88/34/19/563883419.db2.gz GQTJSAKJPXYNHI-UHFFFAOYSA-N 1 0 307.393 3.987 50 0 DHAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036095386 563892984 /nfs/dbraw/zinc/89/29/84/563892984.db2.gz ZXVBAOGCDGXMOP-HXUWFJFHSA-N 1 0 315.432 3.887 50 0 DHAARO CCC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000036102771 563893466 /nfs/dbraw/zinc/89/34/66/563893466.db2.gz FCUVMQURXKWLPW-IBGZPJMESA-N 1 0 313.441 3.858 50 0 DHAARO O=C(NCC1CCCCC1)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817949 563894142 /nfs/dbraw/zinc/89/41/42/563894142.db2.gz DWUXBPVREAONGF-UHFFFAOYSA-N 1 0 312.457 3.515 50 0 DHAARO CCc1ccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000006877267 563897986 /nfs/dbraw/zinc/89/79/86/563897986.db2.gz LPFYEBXRTGFTEU-UHFFFAOYSA-N 1 0 315.461 3.589 50 0 DHAARO C[C@H](CC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1)[S@](C)=O ZINC000170065683 563903704 /nfs/dbraw/zinc/90/37/04/563903704.db2.gz RZYBPQYEYUABPM-NLQQUQSOSA-N 1 0 313.850 3.894 50 0 DHAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000007378082 563905504 /nfs/dbraw/zinc/90/55/04/563905504.db2.gz JXGUJQUKWXPMIE-GFCCVEGCSA-N 1 0 310.825 3.552 50 0 DHAARO CCc1oc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1C ZINC000170597965 563907103 /nfs/dbraw/zinc/90/71/03/563907103.db2.gz YCFNTHBOPWBBCS-RDTXWAMCSA-N 1 0 314.429 3.572 50 0 DHAARO c1coc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)o2)c1 ZINC000170612370 563908051 /nfs/dbraw/zinc/90/80/51/563908051.db2.gz IEEZYUITRLTGHI-HZPDHXFCSA-N 1 0 323.396 3.831 50 0 DHAARO COc1ccccc1NC1CC[NH+](CCCCSC)CC1 ZINC000170616057 563908474 /nfs/dbraw/zinc/90/84/74/563908474.db2.gz ZQTUWCKJDMJKSR-UHFFFAOYSA-N 1 0 308.491 3.715 50 0 DHAARO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000170626942 563908924 /nfs/dbraw/zinc/90/89/24/563908924.db2.gz WTUXWCSSBUOUSE-RMJJICAUSA-N 1 0 318.505 3.987 50 0 DHAARO Cc1ccc2c(C[N@@H+](C)[C@@H](C)c3ccccn3)cc(=O)oc2c1C ZINC000089665824 563910935 /nfs/dbraw/zinc/91/09/35/563910935.db2.gz WRJWLPFMUGAXHQ-HNNXBMFYSA-N 1 0 322.408 3.998 50 0 DHAARO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 ZINC000089731433 563911001 /nfs/dbraw/zinc/91/10/01/563911001.db2.gz WQSSQKRRNGTAIA-CQSZACIVSA-N 1 0 322.412 3.640 50 0 DHAARO C[C@@H]1CC[N@H+](CCSc2ccccc2)C[C@@H]1n1ccnc1 ZINC000089929999 563912353 /nfs/dbraw/zinc/91/23/53/563912353.db2.gz NRJWNEASDKXHSH-WBVHZDCISA-N 1 0 301.459 3.558 50 0 DHAARO CCOC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000027205724 563915485 /nfs/dbraw/zinc/91/54/85/563915485.db2.gz LJHWMEFOWPATJQ-VQTJNVASSA-N 1 0 323.436 3.855 50 0 DHAARO O=C1OCCN1CCC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000065953569 563918765 /nfs/dbraw/zinc/91/87/65/563918765.db2.gz XCUQEOQUXOWYKB-IBGZPJMESA-N 1 0 324.424 3.819 50 0 DHAARO CCc1ccc(CN(C)CC(=O)Nc2c(F)cccc2F)cc1 ZINC000007790707 563919241 /nfs/dbraw/zinc/91/92/41/563919241.db2.gz OHPINFHBFKJMEZ-UHFFFAOYSA-N 1 0 318.367 3.598 50 0 DHAARO CC(=O)NC1CCC([NH2+][C@H]2C[C@@H]3CCCc4cccc2c43)CC1 ZINC000195565177 563919818 /nfs/dbraw/zinc/91/98/18/563919818.db2.gz QCSOGBZFFMJRGN-LOTPSLMQSA-N 1 0 312.457 3.588 50 0 DHAARO Cc1cc2oc(=O)cc(C[NH+]3CCC(C)CC3)c2cc1Cl ZINC000002240899 563920850 /nfs/dbraw/zinc/92/08/50/563920850.db2.gz DITCHXSBVQFUCR-UHFFFAOYSA-N 1 0 305.805 3.987 50 0 DHAARO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000253432969 563925721 /nfs/dbraw/zinc/92/57/21/563925721.db2.gz QHWHYJMHKIVDSL-FUHWJXTLSA-N 1 0 313.445 3.512 50 0 DHAARO CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000094696948 563928481 /nfs/dbraw/zinc/92/84/81/563928481.db2.gz GRANSQCOQUDLNC-GHMZBOCLSA-N 1 0 317.260 3.792 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1cccc2ccccc21)c1ccsc1 ZINC000013011248 563929066 /nfs/dbraw/zinc/92/90/66/563929066.db2.gz UFVFIDXISALNKF-GOSISDBHSA-N 1 0 324.449 3.934 50 0 DHAARO c1ccc2c(c1)cccc2CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000007952135 563929333 /nfs/dbraw/zinc/92/93/33/563929333.db2.gz YUBPAXVEDMECCL-HNNXBMFYSA-N 1 0 311.410 3.940 50 0 DHAARO O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(F)c1Cl ZINC000079602629 563930445 /nfs/dbraw/zinc/93/04/45/563930445.db2.gz DIAFPJGLXWNGAU-UHFFFAOYSA-N 1 0 315.735 3.917 50 0 DHAARO COc1ccc([C@H](O)C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000095353000 563931105 /nfs/dbraw/zinc/93/11/05/563931105.db2.gz CJOLNLGSLHEWGN-WBVHZDCISA-N 1 0 303.427 3.531 50 0 DHAARO C[C@H]([NH2+]C1CCN(C(=O)C2CCCCC2)CC1)c1ccsc1 ZINC000095420258 563931277 /nfs/dbraw/zinc/93/12/77/563931277.db2.gz WMSWDAJLFIDGHE-AWEZNQCLSA-N 1 0 320.502 3.970 50 0 DHAARO Cc1cccc(N2CCC([NH2+][C@H](C)Cc3ccsc3)CC2)n1 ZINC000095422608 563931283 /nfs/dbraw/zinc/93/12/83/563931283.db2.gz SMAOTQLODVHPAH-OAHLLOKOSA-N 1 0 315.486 3.641 50 0 DHAARO Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccs3)CC2)n1 ZINC000095422609 563931327 /nfs/dbraw/zinc/93/13/27/563931327.db2.gz GXXWZGVNHZLTBV-AWEZNQCLSA-N 1 0 301.459 3.771 50 0 DHAARO C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cnccn1 ZINC000095422916 563931354 /nfs/dbraw/zinc/93/13/54/563931354.db2.gz GCYSLJZYIUAWLE-DLBZAZTESA-N 1 0 324.472 3.791 50 0 DHAARO c1ccc(OCC[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000020601445 563931722 /nfs/dbraw/zinc/93/17/22/563931722.db2.gz ZOJDUPVXWFGDAP-INIZCTEOSA-N 1 0 321.424 3.821 50 0 DHAARO CC[N@H+](CC(=O)NC(C)C)C1c2ccccc2-c2ccccc21 ZINC000095950319 563932156 /nfs/dbraw/zinc/93/21/56/563932156.db2.gz FLUAZKBTXFJYRS-UHFFFAOYSA-N 1 0 308.425 3.603 50 0 DHAARO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)s1 ZINC000095965482 563932776 /nfs/dbraw/zinc/93/27/76/563932776.db2.gz TZDMXKVFAIGSFG-INIZCTEOSA-N 1 0 314.454 3.997 50 0 DHAARO COc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c2ccccc12 ZINC000095968453 563933304 /nfs/dbraw/zinc/93/33/04/563933304.db2.gz RXBGKKFICYEPCW-KGLIPLIRSA-N 1 0 309.413 3.994 50 0 DHAARO FC(F)(F)c1ccccc1[C@H]1CCC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000095982164 563933856 /nfs/dbraw/zinc/93/38/56/563933856.db2.gz RSWWXFCLNFZALM-UKRRQHHQSA-N 1 0 309.335 3.854 50 0 DHAARO FC(F)(F)c1ccccc1[C@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000095982162 563933932 /nfs/dbraw/zinc/93/39/32/563933932.db2.gz RSWWXFCLNFZALM-HIFRSBDPSA-N 1 0 309.335 3.854 50 0 DHAARO CC(C)[N@H+](Cc1cn(C)nc1-c1cccs1)C1CCOCC1 ZINC000095986767 563934231 /nfs/dbraw/zinc/93/42/31/563934231.db2.gz RGPZUBVIWWWBPP-UHFFFAOYSA-N 1 0 319.474 3.538 50 0 DHAARO Cc1ncccc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000095999436 563934745 /nfs/dbraw/zinc/93/47/45/563934745.db2.gz KVQATGNPTTUDIG-UHFFFAOYSA-N 1 0 314.404 3.710 50 0 DHAARO COCc1ccccc1C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000096008163 563934850 /nfs/dbraw/zinc/93/48/50/563934850.db2.gz PVFMGGWLXPAHOC-HNNXBMFYSA-N 1 0 323.440 3.820 50 0 DHAARO COc1ccc(O)cc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000096006903 563934926 /nfs/dbraw/zinc/93/49/26/563934926.db2.gz RMWLNTJSFFBVFH-PIGZYNQJSA-N 1 0 301.361 3.878 50 0 DHAARO Cn1cc(C(=O)C(C)(C)[NH2+]Cc2ccccc2)c2ccccc21 ZINC000096027463 563935096 /nfs/dbraw/zinc/93/50/96/563935096.db2.gz RVILDSBORQZCSH-UHFFFAOYSA-N 1 0 306.409 3.929 50 0 DHAARO C/C(=C/c1ccccc1)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000096297198 563936107 /nfs/dbraw/zinc/93/61/07/563936107.db2.gz UPGZZTZWZPTCJV-SDXDJHTJSA-N 1 0 321.468 3.739 50 0 DHAARO C(=C\c1ccccc1)\CN1CC[NH+](CCc2cccs2)CC1 ZINC000096291578 563936193 /nfs/dbraw/zinc/93/61/93/563936193.db2.gz MWNYNQFMFUEBOU-YWEYNIOJSA-N 1 0 312.482 3.622 50 0 DHAARO Cc1nc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000096456797 563937142 /nfs/dbraw/zinc/93/71/42/563937142.db2.gz PMLMDPDPFAPKBN-PBHICJAKSA-N 1 0 315.486 3.594 50 0 DHAARO CC(C)Oc1ccc(C[NH2+]Cc2cccc3c[nH]nc32)cc1F ZINC000096460022 563937266 /nfs/dbraw/zinc/93/72/66/563937266.db2.gz FUZMWTPTCSSOMB-UHFFFAOYSA-N 1 0 313.376 3.779 50 0 DHAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000097058790 563937602 /nfs/dbraw/zinc/93/76/02/563937602.db2.gz WXVORVUGCZAHBK-OAHLLOKOSA-N 1 0 320.396 3.857 50 0 DHAARO CC[C@H]([NH2+]Cc1ccnc(N)c1)c1ccc(OC(F)F)cc1 ZINC000225615899 563938227 /nfs/dbraw/zinc/93/82/27/563938227.db2.gz ACDCCVFGNLCCDE-AWEZNQCLSA-N 1 0 307.344 3.506 50 0 DHAARO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028236841 563939080 /nfs/dbraw/zinc/93/90/80/563939080.db2.gz LFSDSNMYQMYKSA-IBGZPJMESA-N 1 0 324.424 3.688 50 0 DHAARO COCC[NH2+]CCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000003000792 563941641 /nfs/dbraw/zinc/94/16/41/563941641.db2.gz FOCRVTZMMYEUOF-UHFFFAOYSA-N 1 0 313.441 3.627 50 0 DHAARO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000230289393 563942268 /nfs/dbraw/zinc/94/22/68/563942268.db2.gz QBNWOOBCEQVTKT-MJGOQNOKSA-N 1 0 319.493 3.740 50 0 DHAARO CC(C)[N@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1ccccc1 ZINC000003220234 563942928 /nfs/dbraw/zinc/94/29/28/563942928.db2.gz YAZITAZHXQNZJY-KRWDZBQOSA-N 1 0 322.452 3.875 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000003254040 563943351 /nfs/dbraw/zinc/94/33/51/563943351.db2.gz RPLRJQNMFZPNEH-IAGOWNOFSA-N 1 0 305.462 3.733 50 0 DHAARO Cc1cc(C)n(C[C@H](C)[N@H+](C)Cc2cc3cc(F)ccc3[nH]2)n1 ZINC000670441441 563943949 /nfs/dbraw/zinc/94/39/49/563943949.db2.gz ILRSIOCRZCJRAH-AWEZNQCLSA-N 1 0 314.408 3.641 50 0 DHAARO CC[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)[NH+]1CCCC1 ZINC000031229418 563944410 /nfs/dbraw/zinc/94/44/10/563944410.db2.gz QQDZMUSVDPLWST-HXUWFJFHSA-N 1 0 322.452 3.958 50 0 DHAARO Cc1c(Cl)cccc1-n1nc(C2CC2)nc1[C@@H]1CC[N@@H+](C)C1 ZINC000670458293 563945380 /nfs/dbraw/zinc/94/53/80/563945380.db2.gz SBKPYUOFFWPFTO-CYBMUJFWSA-N 1 0 316.836 3.526 50 0 DHAARO COc1ccc(C)cc1CC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000008329178 563948024 /nfs/dbraw/zinc/94/80/24/563948024.db2.gz ROTNIPRYVCWIJL-UHFFFAOYSA-N 1 0 321.424 3.522 50 0 DHAARO CCCc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnc3C)C2)o1 ZINC000670472259 563949092 /nfs/dbraw/zinc/94/90/92/563949092.db2.gz QYSDJSZDLDGFIZ-INIZCTEOSA-N 1 0 301.434 3.649 50 0 DHAARO Cc1c([C@@H](C)[NH2+]Cc2ccncc2)cnn1-c1ccc(F)cc1 ZINC000067504641 563949324 /nfs/dbraw/zinc/94/93/24/563949324.db2.gz KSGHIKKHDKOFBP-CYBMUJFWSA-N 1 0 310.376 3.566 50 0 DHAARO COCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000008704024 563949748 /nfs/dbraw/zinc/94/97/48/563949748.db2.gz QTWQLWQMNLODMH-UHFFFAOYSA-N 1 0 324.424 3.681 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+](C(C)C)C(C)C ZINC000245228805 563952233 /nfs/dbraw/zinc/95/22/33/563952233.db2.gz FVWVHROWEIKEIH-FCGDIQPGSA-N 1 0 313.526 3.944 50 0 DHAARO C[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)[C@H](C)n1cccn1 ZINC000069372526 563952614 /nfs/dbraw/zinc/95/26/14/563952614.db2.gz YXEKXFUUSREJKH-RYUDHWBXSA-N 1 0 318.471 3.807 50 0 DHAARO CCc1cc(C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)[nH]n1 ZINC000069816779 563954769 /nfs/dbraw/zinc/95/47/69/563954769.db2.gz LGLJVZVLSBHFKU-UHFFFAOYSA-N 1 0 322.412 3.758 50 0 DHAARO Cc1noc([C@H](C)Nc2ccc([NH+]3CCCCCC3)cc2)n1 ZINC000070040616 563955797 /nfs/dbraw/zinc/95/57/97/563955797.db2.gz YALQDVNDYVHOQZ-ZDUSSCGKSA-N 1 0 300.406 3.932 50 0 DHAARO COc1cccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000071831345 563958985 /nfs/dbraw/zinc/95/89/85/563958985.db2.gz AZXPKJXHOOBHTQ-OAHLLOKOSA-N 1 0 324.424 3.673 50 0 DHAARO COc1cccc(C[NH2+][C@@H]2CCc3c2cccc3F)c1OC ZINC000071837169 563959082 /nfs/dbraw/zinc/95/90/82/563959082.db2.gz PQXZVHATEBQLKN-MRXNPFEDSA-N 1 0 301.361 3.620 50 0 DHAARO CC(C)c1nccn1[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000071870851 563959382 /nfs/dbraw/zinc/95/93/82/563959382.db2.gz CPMBBYFRJYUIEL-HZPDHXFCSA-N 1 0 301.434 3.526 50 0 DHAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1OCc1ccccc1)c1cnccn1 ZINC000252486281 568413653 /nfs/dbraw/zinc/41/36/53/568413653.db2.gz HPDNWOPSOCAKNI-VDZJLULYSA-N 1 0 311.429 3.655 50 0 DHAARO C[C@@H](CNC(=O)Nc1ccccc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000045951194 568415439 /nfs/dbraw/zinc/41/54/39/568415439.db2.gz ABHNPODXJCZBLA-STQMWFEESA-N 1 0 309.841 3.724 50 0 DHAARO Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000045950351 568415449 /nfs/dbraw/zinc/41/54/49/568415449.db2.gz DVBGIHOQNNXRLR-INIZCTEOSA-N 1 0 317.477 3.937 50 0 DHAARO Cc1ccc(SCCN2CC[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000084180931 568417800 /nfs/dbraw/zinc/41/78/00/568417800.db2.gz GNUGYQNWSBUILC-QGZVFWFLSA-N 1 0 304.503 3.566 50 0 DHAARO CC[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCOC(C)(C)C1 ZINC000289989875 1014770089 /nfs/dbraw/zinc/77/00/89/1014770089.db2.gz YGPPZABAYZKIAL-SFHVURJKSA-N 1 0 313.445 3.652 50 0 DHAARO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Cl)cc(Cl)c1F ZINC000692381892 1016840398 /nfs/dbraw/zinc/84/03/98/1016840398.db2.gz YUULKDVHSHOILZ-YLVJLNSGSA-N 1 0 324.248 3.694 50 0 DHAARO CSCc1ccccc1NC(=O)C1CC[NH+](CC(C)C)CC1 ZINC000952874849 1032667566 /nfs/dbraw/zinc/66/75/66/1032667566.db2.gz DTIJWCXSVABZRL-UHFFFAOYSA-N 1 0 320.502 3.856 50 0 DHAARO CCn1c(C)cc2cc(NC(=O)C[N@H+](C)C3CCCC3)ccc21 ZINC000952874097 1032668848 /nfs/dbraw/zinc/66/88/48/1032668848.db2.gz UYYGXKQQEVHDMB-UHFFFAOYSA-N 1 0 313.445 3.783 50 0 DHAARO Cc1ccc(-c2ccc(C(=O)NC[C@H](C)[NH+]3CCCC3)cc2)cc1 ZINC000952966137 1032670857 /nfs/dbraw/zinc/67/08/57/1032670857.db2.gz CDFRDPDKVFHQHY-KRWDZBQOSA-N 1 0 322.452 3.876 50 0 DHAARO OCc1cccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c1 ZINC000952962638 1032670905 /nfs/dbraw/zinc/67/09/05/1032670905.db2.gz HKMCNGHFEHCPOA-UHFFFAOYSA-N 1 0 311.425 3.790 50 0 DHAARO CC(C)[NH2+]C1CCN([C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000952883133 1032671688 /nfs/dbraw/zinc/67/16/88/1032671688.db2.gz WWSDVYKLXFXORW-MRXNPFEDSA-N 1 0 307.869 3.575 50 0 DHAARO C[N@H+](CC[C@H]1CCCCO1)C1CCN(c2ccccc2F)CC1 ZINC000952963122 1032673027 /nfs/dbraw/zinc/67/30/27/1032673027.db2.gz FPEJNMYHUOSFQM-QGZVFWFLSA-N 1 0 320.452 3.686 50 0 DHAARO Cc1ccc2ncccc2c1C[NH2+]CC1(N(C)C)CCCCC1 ZINC000952975146 1032675407 /nfs/dbraw/zinc/67/54/07/1032675407.db2.gz HKBKVQCTENPZOG-UHFFFAOYSA-N 1 0 311.473 3.897 50 0 DHAARO Fc1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cc1F ZINC000952969273 1032676544 /nfs/dbraw/zinc/67/65/44/1032676544.db2.gz MWPYDFYUCWDJBZ-UHFFFAOYSA-N 1 0 308.397 3.785 50 0 DHAARO C[C@H]([NH2+]Cc1ccc(Sc2nncn2C)o1)C1=CCCCC1 ZINC000952980347 1032677619 /nfs/dbraw/zinc/67/76/19/1032677619.db2.gz ZGAMWUCXNRHTPT-LBPRGKRZSA-N 1 0 318.446 3.538 50 0 DHAARO CSC(C)(C)C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1C ZINC000952980237 1032677645 /nfs/dbraw/zinc/67/76/45/1032677645.db2.gz DKWHKVMPOABJKR-CQSZACIVSA-N 1 0 308.491 3.833 50 0 DHAARO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CN=S(C)(C)=O)C1 ZINC000952994144 1032682464 /nfs/dbraw/zinc/68/24/64/1032682464.db2.gz VLSUNPHSEASGTC-WBVHZDCISA-N 1 0 308.491 3.577 50 0 DHAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000012573800 1018880882 /nfs/dbraw/zinc/88/08/82/1018880882.db2.gz FYPPFORPRUBLHI-INIZCTEOSA-N 1 0 315.442 3.623 50 0 DHAARO [NH3+]CCCCCc1nnc(SC/C=C/c2ccccc2)o1 ZINC000002370847 1019042810 /nfs/dbraw/zinc/04/28/10/1019042810.db2.gz NCBBLXRUHOSPCC-JXMROGBWSA-N 1 0 303.431 3.547 50 0 DHAARO CC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@@H](C[NH3+])C3)s1 ZINC000142519987 1019320497 /nfs/dbraw/zinc/32/04/97/1019320497.db2.gz XBXYMMAQSQFHPT-LLVKDONJSA-N 1 0 307.802 3.533 50 0 DHAARO CCCc1ccc(C2=C[C@@H](c3ccccc3)N3NC=NC3=[NH+]2)cc1 ZINC000198757272 1019348982 /nfs/dbraw/zinc/34/89/82/1019348982.db2.gz RXYZQEHTAFEAEP-IBGZPJMESA-N 1 0 316.408 3.939 50 0 DHAARO Cc1ncn(CC[NH2+][C@@H](C)CCSc2ccc(F)cc2)c1C ZINC000821164267 1020240969 /nfs/dbraw/zinc/24/09/69/1020240969.db2.gz KLVLCEZSWXERHB-ZDUSSCGKSA-N 1 0 321.465 3.800 50 0 DHAARO CCCc1nc(C)c(C[NH2+][C@H]2CCN(c3ccccc3)C2)s1 ZINC000823015150 1020382421 /nfs/dbraw/zinc/38/24/21/1020382421.db2.gz CHUKPHRTLQLLNE-HNNXBMFYSA-N 1 0 315.486 3.773 50 0 DHAARO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000023282145 1020481343 /nfs/dbraw/zinc/48/13/43/1020481343.db2.gz LELGVJCIZLNGLW-IBGZPJMESA-N 1 0 311.425 3.612 50 0 DHAARO CC(C)(C)c1ccc(OCCOCC[NH+]2CCCCC2)cc1 ZINC000023549849 1020924152 /nfs/dbraw/zinc/92/41/52/1020924152.db2.gz VCVQRBIALVWPLU-UHFFFAOYSA-N 1 0 305.462 3.865 50 0 DHAARO Clc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)s1 ZINC000293083520 1021228746 /nfs/dbraw/zinc/22/87/46/1021228746.db2.gz WJZDNFSNKSMCTB-UHFFFAOYSA-N 1 0 322.861 3.528 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000581805820 1021847952 /nfs/dbraw/zinc/84/79/52/1021847952.db2.gz GGRKSIFVSHJKDU-SFHVURJKSA-N 1 0 323.440 3.855 50 0 DHAARO Fc1cccc(F)c1CCC[NH+]1CCC(c2ncco2)CC1 ZINC000585136927 1023002774 /nfs/dbraw/zinc/00/27/74/1023002774.db2.gz YTMZJVUPOASTQT-UHFFFAOYSA-N 1 0 306.356 3.765 50 0 DHAARO c1cncc(-c2cccc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)c2)c1 ZINC000110701894 1023288949 /nfs/dbraw/zinc/28/89/49/1023288949.db2.gz FWHWKMMKKANTJE-VQTJNVASSA-N 1 0 308.425 3.750 50 0 DHAARO c1ccc(-c2cnc(-c3cccnc3)nc2C2CC[NH2+]CC2)cc1 ZINC000299755514 1023300126 /nfs/dbraw/zinc/30/01/26/1023300126.db2.gz ATPMOSCIAJTDKG-UHFFFAOYSA-N 1 0 316.408 3.673 50 0 DHAARO c1ccc(-c2cnc(-c3ccncc3)nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000299770632 1023301461 /nfs/dbraw/zinc/30/14/61/1023301461.db2.gz XHWXZLGXVMERTN-QGZVFWFLSA-N 1 0 316.408 3.673 50 0 DHAARO CSc1ccc(C[NH+]2CCC(CCn3cccn3)CC2)cc1 ZINC000214959434 1024519579 /nfs/dbraw/zinc/51/95/79/1024519579.db2.gz RPNBGKHTLNBKGS-UHFFFAOYSA-N 1 0 315.486 3.907 50 0 DHAARO CC[C@H](O)C1CCN(Cc2[nH]c3ccccc3c2Cl)CC1 ZINC000216089732 1024530226 /nfs/dbraw/zinc/53/02/26/1024530226.db2.gz QRCBQYYIURHSKU-INIZCTEOSA-N 1 0 306.837 3.804 50 0 DHAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)on1 ZINC000075448503 1025840683 /nfs/dbraw/zinc/84/06/83/1025840683.db2.gz XQRXPOJDSSLVBP-MRXNPFEDSA-N 1 0 308.385 3.710 50 0 DHAARO C/C=C/CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000089729785 1029552260 /nfs/dbraw/zinc/55/22/60/1029552260.db2.gz UCHKJMPOTZRYGG-NNTXTVRGSA-N 1 0 308.853 3.633 50 0 DHAARO CCC[C@@]1(CO)CC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000585083939 1029638107 /nfs/dbraw/zinc/63/81/07/1029638107.db2.gz PIPRHKGSFOJZBF-GOSISDBHSA-N 1 0 316.470 3.795 50 0 DHAARO COCCc1cccc(-c2ccc([C@@H]3OCC[NH2+][C@H]3C)cc2)c1 ZINC000629701240 1030990698 /nfs/dbraw/zinc/99/06/98/1030990698.db2.gz SCHWJMWSSHFCCL-MGPUTAFESA-N 1 0 311.425 3.592 50 0 DHAARO Cc1cc(F)ccc1-c1ccc(C[N@H+](C)C[C@H](O)C2CC2)o1 ZINC000809751453 1033667078 /nfs/dbraw/zinc/66/70/78/1033667078.db2.gz HWSULORIMGRSQV-KRWDZBQOSA-N 1 0 303.377 3.597 50 0 DHAARO Cc1ccc(OCCOCC[N@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000002822177 1037221826 /nfs/dbraw/zinc/22/18/26/1037221826.db2.gz WVERHHXPTLWIQX-OAHLLOKOSA-N 1 0 311.853 3.776 50 0 DHAARO Clc1cccc(-c2cnc(C[N@@H+]3CC[C@@]4(CCOC4)C3)o2)c1 ZINC000153838488 1037673888 /nfs/dbraw/zinc/67/38/88/1037673888.db2.gz SEUZLXAVHIJWPU-QGZVFWFLSA-N 1 0 318.804 3.607 50 0 DHAARO C[NH+](C)[C@H]1CCCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000173627596 1040352718 /nfs/dbraw/zinc/35/27/18/1040352718.db2.gz QDSCIAKHGNYXCE-ZDUSSCGKSA-N 1 0 319.836 3.521 50 0 DHAARO O=C1NCCCCCC[N@H+](CC2CCCCC2)[C@H]2CCC[C@@H]12 ZINC000257185241 1040897660 /nfs/dbraw/zinc/89/76/60/1040897660.db2.gz WHNCUDRBWJXCDG-MSOLQXFVSA-N 1 0 306.494 3.728 50 0 DHAARO C[C@]1(COc2ccncc2)CCC[N@H+](Cc2ccccc2F)C1 ZINC000257188967 1040918967 /nfs/dbraw/zinc/91/89/67/1040918967.db2.gz NHMBRURYHMOBFM-IBGZPJMESA-N 1 0 314.404 3.902 50 0 DHAARO CCC[C@@H]1CN(C(=O)Nc2cccc(SC)c2)C[C@H]1[NH+](C)C ZINC000095522084 185377467 /nfs/dbraw/zinc/37/74/67/185377467.db2.gz BDNWENCJNUEFFW-CZUORRHYSA-N 1 0 321.490 3.603 50 0 DHAARO C[C@H](CO)C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095525752 185377972 /nfs/dbraw/zinc/37/79/72/185377972.db2.gz ZNRIFDJBAPHKCG-SFHVURJKSA-N 1 0 309.453 3.697 50 0 DHAARO CCOc1ccccc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000078940964 185132561 /nfs/dbraw/zinc/13/25/61/185132561.db2.gz QGHMATYUKKVXJG-KRWDZBQOSA-N 1 0 314.429 3.605 50 0 DHAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000082171019 185174279 /nfs/dbraw/zinc/17/42/79/185174279.db2.gz NHSQTHODLXYZDF-CYBMUJFWSA-N 1 0 307.800 3.592 50 0 DHAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)c1ccccc1Cl ZINC000089948711 185270884 /nfs/dbraw/zinc/27/08/84/185270884.db2.gz QFVBRDJUFGIEAY-DXCKQFNASA-N 1 0 308.853 3.638 50 0 DHAARO Cc1cc2cccc(C(=O)N3CCC([C@H](C)[NH+](C)C)CC3)c2o1 ZINC000082121254 192359657 /nfs/dbraw/zinc/35/96/57/192359657.db2.gz VZIQILUPSVYWQW-AWEZNQCLSA-N 1 0 314.429 3.544 50 0 DHAARO CC(C)c1ccsc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000095399300 185353740 /nfs/dbraw/zinc/35/37/40/185353740.db2.gz LEHMHDNJPDBTMG-HNNXBMFYSA-N 1 0 320.502 3.962 50 0 DHAARO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCc2csc(C)n2)cc1 ZINC000095419968 185360040 /nfs/dbraw/zinc/36/00/40/185360040.db2.gz IDQRGRWYHBZGDT-STQMWFEESA-N 1 0 304.459 3.784 50 0 DHAARO Cc1nccn1CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095420537 185360117 /nfs/dbraw/zinc/36/01/17/185360117.db2.gz FPTSUFUMLOAPIM-KRWDZBQOSA-N 1 0 311.429 3.618 50 0 DHAARO COc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)cc1 ZINC000095420669 185360314 /nfs/dbraw/zinc/36/03/14/185360314.db2.gz UYZDLQLXRPTSJH-INIZCTEOSA-N 1 0 321.424 3.791 50 0 DHAARO C[C@H]1CCC[N@H+](Cc2ccc(NCc3ccc(CO)o3)cc2)C1 ZINC000095428545 185362243 /nfs/dbraw/zinc/36/22/43/185362243.db2.gz DPNDLNSTRLTXAO-HNNXBMFYSA-N 1 0 314.429 3.616 50 0 DHAARO C[C@@H]1CCC[N@H+](Cc2ccc(NCc3ccc(CO)o3)cc2)C1 ZINC000095428544 185362359 /nfs/dbraw/zinc/36/23/59/185362359.db2.gz DPNDLNSTRLTXAO-OAHLLOKOSA-N 1 0 314.429 3.616 50 0 DHAARO C[C@@H]1C[C@@H]([NH2+]CCCc2cnn(C)c2)c2ccccc2S1 ZINC000095421668 185360659 /nfs/dbraw/zinc/36/06/59/185360659.db2.gz GENVDDMUZVGLPL-CZUORRHYSA-N 1 0 301.459 3.568 50 0 DHAARO C[C@@H](C[NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 ZINC000095443046 185367208 /nfs/dbraw/zinc/36/72/08/185367208.db2.gz PLXUJAKOKODMLM-MAUKXSAKSA-N 1 0 316.420 3.949 50 0 DHAARO CCCC[C@@H](CC)CC[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000095445330 185367277 /nfs/dbraw/zinc/36/72/77/185367277.db2.gz KUMXUKUEQLTAQY-IAGOWNOFSA-N 1 0 304.482 3.642 50 0 DHAARO Cn1cc(C(C)(C)[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cn1 ZINC000095440121 185365966 /nfs/dbraw/zinc/36/59/66/185365966.db2.gz MEBPRZZFMVIVNG-UHFFFAOYSA-N 1 0 315.314 3.603 50 0 DHAARO Fc1ccc(C2CC([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)C2)cc1 ZINC000097084852 185407403 /nfs/dbraw/zinc/40/74/03/185407403.db2.gz XNCHQZOMGUYQMN-CCRGXQTGSA-N 1 0 321.461 3.716 50 0 DHAARO C[C@@H](c1ccccc1F)N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000170621411 197792915 /nfs/dbraw/zinc/79/29/15/197792915.db2.gz RBYVKULDBPYXQI-KBXCAEBGSA-N 1 0 314.404 3.825 50 0 DHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C)ccc1C ZINC000072116015 191038200 /nfs/dbraw/zinc/03/82/00/191038200.db2.gz GPZRJEUFIUJCLV-KRWDZBQOSA-N 1 0 302.462 3.688 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Nc2cccc(Cl)c2)C1 ZINC000072117739 191038953 /nfs/dbraw/zinc/03/89/53/191038953.db2.gz CNGZWVXWCGIHOB-ZIAGYGMSSA-N 1 0 323.868 3.830 50 0 DHAARO CC[C@H]1CN(Cc2c(Cl)cncc2Cl)CC[N@@H+]1C(C)C ZINC000072133159 191044741 /nfs/dbraw/zinc/04/47/41/191044741.db2.gz QDJBRQSMDNVPSE-LBPRGKRZSA-N 1 0 316.276 3.693 50 0 DHAARO Cc1cccc2[nH]c([C@H]3CCC[N@H+](Cc4ncccc4F)C3)nc21 ZINC000072149896 191056665 /nfs/dbraw/zinc/05/66/65/191056665.db2.gz VZMUJSWYQREYRG-AWEZNQCLSA-N 1 0 324.403 3.785 50 0 DHAARO CC[C@@H]1CN(Cc2cc3cc(C)ccc3n2C)CC[N@@H+]1C(C)C ZINC000072162177 191062300 /nfs/dbraw/zinc/06/23/00/191062300.db2.gz GVGBJBVEHFMKIB-GOSISDBHSA-N 1 0 313.489 3.791 50 0 DHAARO Cc1ccsc1C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000072161532 191062753 /nfs/dbraw/zinc/06/27/53/191062753.db2.gz JAASAHDYKHAYHE-MRXNPFEDSA-N 1 0 302.443 3.633 50 0 DHAARO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cn1 ZINC000191854243 186264613 /nfs/dbraw/zinc/26/46/13/186264613.db2.gz HFOAEDOXQRFILJ-IEZWGBDMSA-N 1 0 313.445 3.892 50 0 DHAARO C[NH+](C)[C@@H](CNc1nc2c(cccc2F)o1)c1cccc(F)c1 ZINC000225592040 186281159 /nfs/dbraw/zinc/28/11/59/186281159.db2.gz WBWMOTXQWFMYMV-AWEZNQCLSA-N 1 0 317.339 3.821 50 0 DHAARO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)[nH]n1 ZINC000072425141 191159196 /nfs/dbraw/zinc/15/91/96/191159196.db2.gz CSDHAFIIAANBKK-CYBMUJFWSA-N 1 0 301.409 3.836 50 0 DHAARO O=C(Nc1ccccc1F)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000000970195 180838636 /nfs/dbraw/zinc/83/86/36/180838636.db2.gz HVIUQKDBHLZZEJ-XJKSGUPXSA-N 1 0 306.381 3.639 50 0 DHAARO CCCC[C@H](C(=O)Nc1cccc2c1O[C@H](C)C2)[NH+](CC)CC ZINC000004062144 181067897 /nfs/dbraw/zinc/06/78/97/181067897.db2.gz MIVCUTMQBVUNCD-RHSMWYFYSA-N 1 0 318.461 3.849 50 0 biogenic DHAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccccc12 ZINC000004177781 181082413 /nfs/dbraw/zinc/08/24/13/181082413.db2.gz GDDCYANZONIPGV-POZUXBRTSA-N 1 0 314.473 3.787 50 0 DHAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCC ZINC000004413461 181107908 /nfs/dbraw/zinc/10/79/08/181107908.db2.gz SIACGXWEOITSMY-UHFFFAOYSA-N 1 0 320.820 3.822 50 0 DHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2)N3)C1 ZINC000004555582 181123776 /nfs/dbraw/zinc/12/37/76/181123776.db2.gz FJRPBKJDGNWZPX-OAHLLOKOSA-N 1 0 313.426 3.555 50 0 DHAARO O=C(/C=C/c1ccco1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004554768 181124116 /nfs/dbraw/zinc/12/41/16/181124116.db2.gz DPZFDPKEZQSFBL-ZHACJKMWSA-N 1 0 310.397 3.917 50 0 DHAARO NC(=[NH2+])SCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000004724371 181142326 /nfs/dbraw/zinc/14/23/26/181142326.db2.gz DQUXQSKHBQOLAK-UHFFFAOYSA-N 1 0 314.439 3.727 50 0 DHAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)[NH2+]CC2 ZINC000004731375 181143527 /nfs/dbraw/zinc/14/35/27/181143527.db2.gz INWMRQARFUAODH-SNPRPXQTSA-N 1 0 300.229 3.949 50 0 biogenic DHAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000004745139 181146650 /nfs/dbraw/zinc/14/66/50/181146650.db2.gz XSZADWPKCACZTJ-LJQANCHMSA-N 1 0 314.473 3.610 50 0 DHAARO Clc1c(OCC[NH2+]C[C@H]2CCCO2)ccc2ccccc21 ZINC000004842750 181162065 /nfs/dbraw/zinc/16/20/65/181162065.db2.gz PAWZGNCMCDPCHJ-CQSZACIVSA-N 1 0 305.805 3.641 50 0 DHAARO Clc1ccc(OCC[NH+]2CCCC2)c(Br)c1 ZINC000004845131 181162662 /nfs/dbraw/zinc/16/26/62/181162662.db2.gz STJLXJHUQYPULQ-UHFFFAOYSA-N 1 0 304.615 3.577 50 0 DHAARO OCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004891101 181168925 /nfs/dbraw/zinc/16/89/25/181168925.db2.gz GHSBJDZSBNDAGL-UHFFFAOYSA-N 1 0 303.405 3.560 50 0 DHAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000004942899 181176995 /nfs/dbraw/zinc/17/69/95/181176995.db2.gz QAEJJZXCARWVSB-ZDUSSCGKSA-N 1 0 324.218 3.570 50 0 DHAARO COc1ccc(CC[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC ZINC000004989393 181185850 /nfs/dbraw/zinc/18/58/50/181185850.db2.gz YCXOWSDLKKONAS-UHFFFAOYSA-N 1 0 315.457 3.661 50 0 DHAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)[NH2+]CC2 ZINC000005030755 181193596 /nfs/dbraw/zinc/19/35/96/181193596.db2.gz ACIPGBAJNWOPTK-UGFHNGPFSA-N 1 0 300.229 3.949 50 0 DHAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)[NH2+]CC2 ZINC000005030753 181194062 /nfs/dbraw/zinc/19/40/62/181194062.db2.gz ACIPGBAJNWOPTK-DFBGVHRSSA-N 1 0 300.229 3.949 50 0 DHAARO Cc1cc(Cl)ccc1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000005049977 181196860 /nfs/dbraw/zinc/19/68/60/181196860.db2.gz OUWLRPBCDXCDNQ-IJEWVQPXSA-N 1 0 311.853 3.651 50 0 DHAARO C[C@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1cccnc1 ZINC000005249606 181221937 /nfs/dbraw/zinc/22/19/37/181221937.db2.gz YOGMQUBAEAYSMA-HDMKZQKVSA-N 1 0 300.446 3.757 50 0 DHAARO Cc1cc(Nc2cc[nH+]cc2)n2ncc(-c3ccccc3)c2n1 ZINC000005516431 181252593 /nfs/dbraw/zinc/25/25/93/181252593.db2.gz MDEQOSONBFFQAN-UHFFFAOYSA-N 1 0 301.353 3.843 50 0 DHAARO C[NH+]1CCN(c2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1 ZINC000005699608 181274180 /nfs/dbraw/zinc/27/41/80/181274180.db2.gz QAYGLHSZAFDOJZ-UHFFFAOYSA-N 1 0 319.408 3.760 50 0 DHAARO Cc1nn(C)cc1[C@H](C)[NH2+]CC1=Cc2cc(Cl)ccc2OC1 ZINC000237543916 202277521 /nfs/dbraw/zinc/27/75/21/202277521.db2.gz AXKSFGFQDFPELN-NSHDSACASA-N 1 0 317.820 3.509 50 0 DHAARO CC(C)(C)c1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000005976797 181302748 /nfs/dbraw/zinc/30/27/48/181302748.db2.gz ZEZSVLQRBBDXBN-MRXNPFEDSA-N 1 0 319.412 3.621 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000006007991 181305431 /nfs/dbraw/zinc/30/54/31/181305431.db2.gz BCFVDPZYAPIOHZ-DOTOQJQBSA-N 1 0 305.462 3.598 50 0 DHAARO CC[C@@H]([NH2+]Cc1cccc2c[nH]nc21)c1ccc2c(c1)OCCO2 ZINC000089947853 192917394 /nfs/dbraw/zinc/91/73/94/192917394.db2.gz WVFAOOIHEKPPBM-MRXNPFEDSA-N 1 0 323.396 3.575 50 0 DHAARO C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)c1cccc(O)c1 ZINC000194844108 201299741 /nfs/dbraw/zinc/29/97/41/201299741.db2.gz MZUOWQLXOFRILY-INIZCTEOSA-N 1 0 321.424 3.530 50 0 DHAARO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@]1(C)O ZINC000091380803 193049686 /nfs/dbraw/zinc/04/96/86/193049686.db2.gz LUHAFKAGQHWORG-HNNXBMFYSA-N 1 0 319.342 3.827 50 0 DHAARO CCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000091987127 193137455 /nfs/dbraw/zinc/13/74/55/193137455.db2.gz ANZXIPHFPXWBIL-HNNXBMFYSA-N 1 0 303.837 3.936 50 0 DHAARO CC(=O)Nc1ccccc1C[N@@H+](Cc1ccc(C)o1)C(C)C ZINC000092147070 193167669 /nfs/dbraw/zinc/16/76/69/193167669.db2.gz UHNMILBFMFXJIS-UHFFFAOYSA-N 1 0 300.402 3.957 50 0 DHAARO COC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093337738 193235203 /nfs/dbraw/zinc/23/52/03/193235203.db2.gz NFSXFIMJOOWEEU-GFCCVEGCSA-N 1 0 308.472 3.730 50 0 DHAARO COCc1ccc(C[NH+]2CCC(Nc3ccccc3F)CC2)o1 ZINC000093607863 193272823 /nfs/dbraw/zinc/27/28/23/193272823.db2.gz MMZYVFXHPZPQNB-UHFFFAOYSA-N 1 0 318.392 3.642 50 0 DHAARO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000093705847 193295376 /nfs/dbraw/zinc/29/53/76/193295376.db2.gz QXRXJSRWRGQYQC-RNODOKPDSA-N 1 0 307.484 3.549 50 0 DHAARO CCOC[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093838680 193315266 /nfs/dbraw/zinc/31/52/66/193315266.db2.gz DKTXDJWVAFKCGU-OAHLLOKOSA-N 1 0 314.404 3.746 50 0 DHAARO C[N@@H+]1CCN(C/C=C/c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000093872036 193320467 /nfs/dbraw/zinc/32/04/67/193320467.db2.gz QVTWPJZKSRILMC-AATRIKPKSA-N 1 0 302.437 3.789 50 0 DHAARO CC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000095423139 193443362 /nfs/dbraw/zinc/44/33/62/193443362.db2.gz MWNBNBQKNRXTND-HXUWFJFHSA-N 1 0 309.457 3.787 50 0 DHAARO C[C@H](c1cccc(-c2ccc(N3CCOCC3)cc2)c1)[NH+](C)C ZINC000096152899 193554253 /nfs/dbraw/zinc/55/42/53/193554253.db2.gz GBDGVHOWXBCIDR-MRXNPFEDSA-N 1 0 310.441 3.813 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000008130748 181528376 /nfs/dbraw/zinc/52/83/76/181528376.db2.gz KOYOHJVOKNPHPA-UHFFFAOYSA-N 1 0 320.502 3.621 50 0 DHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](C2CCCC2)C1 ZINC000012749679 181792191 /nfs/dbraw/zinc/79/21/91/181792191.db2.gz ZRLVGCJPINNMJD-FQEVSTJZSA-N 1 0 315.457 3.817 50 0 DHAARO Cc1ccc(C[NH2+]Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000013731660 181886159 /nfs/dbraw/zinc/88/61/59/181886159.db2.gz DKNDXBAONQMEDD-UHFFFAOYSA-N 1 0 305.381 3.867 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000015583740 182008421 /nfs/dbraw/zinc/00/84/21/182008421.db2.gz TWSKQCXDZOILGU-APPDUMDISA-N 1 0 316.351 3.569 50 0 DHAARO Cn1c[n+](Cc2cc(Cl)ccc2OC(F)F)c2ccccc21 ZINC000015952951 182026317 /nfs/dbraw/zinc/02/63/17/182026317.db2.gz ADCQLYJQDUDYLP-UHFFFAOYSA-N 1 0 323.750 3.769 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000016183485 182035728 /nfs/dbraw/zinc/03/57/28/182035728.db2.gz OOUWLKQIFUITQD-WCQYABFASA-N 1 0 318.244 3.608 50 0 DHAARO COc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016607416 182053165 /nfs/dbraw/zinc/05/31/65/182053165.db2.gz JQZFZJUEGSFREV-UHFFFAOYSA-N 1 0 324.424 3.546 50 0 DHAARO C[NH+](C)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000017112780 182075610 /nfs/dbraw/zinc/07/56/10/182075610.db2.gz KAGQPWOYOQZXGZ-MRXNPFEDSA-N 1 0 307.478 3.702 50 0 DHAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)[NH2+]CC2 ZINC000020028884 182181376 /nfs/dbraw/zinc/18/13/76/182181376.db2.gz YMMCFCFPDSAPLT-QGZVFWFLSA-N 1 0 303.789 3.592 50 0 biogenic DHAARO COc1ccc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)cc1 ZINC000020070254 182184621 /nfs/dbraw/zinc/18/46/21/182184621.db2.gz QJOJBKBYYMMEHB-WEVVVXLNSA-N 1 0 319.428 3.909 50 0 DHAARO Clc1c(OCCCCN2CC[NH2+]CC2)ccc2ccccc21 ZINC000020272857 182202716 /nfs/dbraw/zinc/20/27/16/182202716.db2.gz OTWNFKXIXXIXHR-UHFFFAOYSA-N 1 0 318.848 3.557 50 0 DHAARO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@@H](O)c1ccccc1 ZINC000020312712 182205526 /nfs/dbraw/zinc/20/55/26/182205526.db2.gz HTMPOPZDCKLWDK-BLLLJJGKSA-N 1 0 309.331 3.917 50 0 DHAARO CC(C)n1cc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cn1 ZINC000020351525 182210479 /nfs/dbraw/zinc/21/04/79/182210479.db2.gz ZJGQTHALYHBPOP-LJQANCHMSA-N 1 0 318.509 3.598 50 0 DHAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccnc3)cc2)C1 ZINC000020454757 182219370 /nfs/dbraw/zinc/21/93/70/182219370.db2.gz SWSYGGLCUIPDSV-OAHLLOKOSA-N 1 0 309.413 3.566 50 0 DHAARO Cc1nccn1CC[N@@H+](C)Cc1cc(C)nc2c(C)cc(C)cc12 ZINC000020637726 182240580 /nfs/dbraw/zinc/24/05/80/182240580.db2.gz TZPGYAZFZKXLCB-UHFFFAOYSA-N 1 0 322.456 3.797 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2sccc2C)cc1 ZINC000021638262 182281873 /nfs/dbraw/zinc/28/18/73/182281873.db2.gz IGNPCPVRXLMPGO-UHFFFAOYSA-N 1 0 316.470 3.828 50 0 DHAARO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c1 ZINC000021720560 182286613 /nfs/dbraw/zinc/28/66/13/182286613.db2.gz VXGPVJOGZGGTRP-MRXNPFEDSA-N 1 0 316.401 3.646 50 0 DHAARO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000022075045 182307895 /nfs/dbraw/zinc/30/78/95/182307895.db2.gz PZWOAJWUWKLHST-UHFFFAOYSA-N 1 0 312.457 3.697 50 0 DHAARO C[C@@H](Cc1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022455215 182322130 /nfs/dbraw/zinc/32/21/30/182322130.db2.gz WNBCBVCGVJPSDH-KRWDZBQOSA-N 1 0 312.432 3.575 50 0 DHAARO CCc1n[nH]c2c1C[N@@H+]([C@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000023505042 182362189 /nfs/dbraw/zinc/36/21/89/182362189.db2.gz USNPGUCTGJHFOX-CQSZACIVSA-N 1 0 322.456 3.833 50 0 DHAARO C[C@@H](NC(=O)C[NH2+]C(C)(C)C)c1ccc(-c2ccccc2)cc1 ZINC000024165485 182375783 /nfs/dbraw/zinc/37/57/83/182375783.db2.gz IKLJGPXCDZYURT-OAHLLOKOSA-N 1 0 310.441 3.919 50 0 DHAARO CC1(C)CC(NC(=O)Nc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000024239974 182377055 /nfs/dbraw/zinc/37/70/55/182377055.db2.gz DRJKBDBUFIKCTO-UHFFFAOYSA-N 1 0 309.841 3.771 50 0 DHAARO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 ZINC000024255416 182377746 /nfs/dbraw/zinc/37/77/46/182377746.db2.gz JTIYAINVUVYNAK-INIZCTEOSA-N 1 0 302.805 3.680 50 0 DHAARO CCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583821 182481138 /nfs/dbraw/zinc/48/11/38/182481138.db2.gz GQKZJZYHULUBEW-MRXNPFEDSA-N 1 0 308.853 3.783 50 0 DHAARO c1ccc(OCc2nc3ccccc3n2CC2CC[NH2+]CC2)cc1 ZINC000036657663 182833089 /nfs/dbraw/zinc/83/30/89/182833089.db2.gz YJECNQYLYIAXBG-UHFFFAOYSA-N 1 0 321.424 3.615 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000040007699 183027115 /nfs/dbraw/zinc/02/71/15/183027115.db2.gz LMFVHFTYVVTBIC-AEFFLSMTSA-N 1 0 300.446 3.542 50 0 DHAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(Cl)c1Cl ZINC000040074565 183031567 /nfs/dbraw/zinc/03/15/67/183031567.db2.gz ARTOPPOHGFFVKP-UHFFFAOYSA-N 1 0 315.244 3.599 50 0 DHAARO CC(C)(C)c1cc(Br)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042770462 183306653 /nfs/dbraw/zinc/30/66/53/183306653.db2.gz ZUQXZXCUQOJKKV-NSHDSACASA-N 1 0 312.251 3.735 50 0 DHAARO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC000043146521 183341612 /nfs/dbraw/zinc/34/16/12/183341612.db2.gz RCJCQUZHPXVDBJ-UHFFFAOYSA-N 1 0 317.820 3.723 50 0 DHAARO Cc1ccc([C@@H](C)N(C)C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000043146868 183341646 /nfs/dbraw/zinc/34/16/46/183341646.db2.gz DWPFXUNKDDBCLC-MRXNPFEDSA-N 1 0 317.477 3.572 50 0 DHAARO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000105673945 194118669 /nfs/dbraw/zinc/11/86/69/194118669.db2.gz MZHKJKBRTVVPNC-YWZLYKJASA-N 1 0 320.436 3.584 50 0 DHAARO CCCC[NH2+][C@H]1C(C)=C(C)C(=O)N1[C@H](C)CCc1ccccc1 ZINC000057270777 184031273 /nfs/dbraw/zinc/03/12/73/184031273.db2.gz SSBLOYDKKYDGAY-DNVCBOLYSA-N 1 0 314.473 3.902 50 0 DHAARO Oc1cccc([C@H](O)C[NH2+]Cc2cccc(Cl)c2Cl)c1 ZINC000057354889 184035489 /nfs/dbraw/zinc/03/54/89/184035489.db2.gz LUZUNIZJTHTBOW-CQSZACIVSA-N 1 0 312.196 3.522 50 0 DHAARO CC(C)CC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000057624276 184042738 /nfs/dbraw/zinc/04/27/38/184042738.db2.gz CXFSPQRAFYZNLB-UHFFFAOYSA-N 1 0 315.383 3.659 50 0 DHAARO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000058160071 184081983 /nfs/dbraw/zinc/08/19/83/184081983.db2.gz DTMCRDYHTUVPJB-KGLIPLIRSA-N 1 0 310.397 3.567 50 0 DHAARO C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000058160745 184082349 /nfs/dbraw/zinc/08/23/49/184082349.db2.gz WOMYCCHEVCKNIG-GHMZBOCLSA-N 1 0 322.330 3.782 50 0 DHAARO Cc1ccc(NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000058280233 184098978 /nfs/dbraw/zinc/09/89/78/184098978.db2.gz QYFYXUSSSGNNKM-UHFFFAOYSA-N 1 0 311.429 3.721 50 0 DHAARO c1c(C[NH2+]Cc2cccc3c2OCCCO3)[nH]c2ccccc12 ZINC000058473646 184120074 /nfs/dbraw/zinc/12/00/74/184120074.db2.gz ANMJZNHCVVSVBO-UHFFFAOYSA-N 1 0 308.381 3.619 50 0 DHAARO CC[NH+](CC)[C@H](CNc1cc(Cl)nc(C)n1)c1ccccc1 ZINC000060340061 184146425 /nfs/dbraw/zinc/14/64/25/184146425.db2.gz ZWWUWACBHWGETC-OAHLLOKOSA-N 1 0 318.852 3.933 50 0 DHAARO CCc1ccsc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000059982688 184143256 /nfs/dbraw/zinc/14/32/56/184143256.db2.gz XVVRGHJYPHQIEL-ZIAGYGMSSA-N 1 0 322.518 3.797 50 0 DHAARO CC(C)c1nc(CN(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000063855661 184289972 /nfs/dbraw/zinc/28/99/72/184289972.db2.gz ZHXIVZPRFHCPMH-DOTOQJQBSA-N 1 0 321.534 3.963 50 0 DHAARO Cc1c(F)cccc1NC(=O)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000065456220 184347577 /nfs/dbraw/zinc/34/75/77/184347577.db2.gz JRWOZAFHHOSTOC-LLVKDONJSA-N 1 0 322.330 3.702 50 0 DHAARO CC(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000065470746 184350604 /nfs/dbraw/zinc/35/06/04/184350604.db2.gz BAVWOPSHFKIJFY-FQEVSTJZSA-N 1 0 314.473 3.561 50 0 DHAARO COc1ccc(OCC[NH2+][C@@H](C)c2cc(F)cc(F)c2)cc1 ZINC000065406187 184338780 /nfs/dbraw/zinc/33/87/80/184338780.db2.gz SNWZUKCZFWUISY-LBPRGKRZSA-N 1 0 307.340 3.703 50 0 DHAARO FC(F)Sc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000065541827 184364017 /nfs/dbraw/zinc/36/40/17/184364017.db2.gz JYICKEVLCLBWDX-CQSZACIVSA-N 1 0 312.429 3.671 50 0 DHAARO Cc1cccc2nc(C3CC[NH+](CC4=CCCOC4)CC3)oc21 ZINC000188885710 256592451 /nfs/dbraw/zinc/59/24/51/256592451.db2.gz QNEOCOFMBYZBGA-UHFFFAOYSA-N 1 0 312.413 3.662 50 0 DHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000399064593 257234811 /nfs/dbraw/zinc/23/48/11/257234811.db2.gz PZKGNODEBBBYMR-GXFFZTMASA-N 1 0 315.244 3.880 50 0 DHAARO O[C@@]12CCCC[C@@H]1[C@H](c1c(Cl)cccc1Cl)[NH2+]CC2 ZINC000043737534 257213531 /nfs/dbraw/zinc/21/35/31/257213531.db2.gz ADCRKOWUVHTZCP-VCTAVGKDSA-N 1 0 300.229 3.949 50 0 biogenic DHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000237641083 257238501 /nfs/dbraw/zinc/23/85/01/257238501.db2.gz QREYRLTUFLAPBH-GSHBMFQSSA-N 1 0 314.473 3.689 50 0 DHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237623477 257238856 /nfs/dbraw/zinc/23/88/56/257238856.db2.gz SRWLELUVGURBRO-SMDDNHRTSA-N 1 0 318.417 3.506 50 0 DHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(SC)cc3)[C@H]2C1 ZINC000426693930 257244700 /nfs/dbraw/zinc/24/47/00/257244700.db2.gz YMUAUTBTFBRYRJ-RYQLBKOJSA-N 1 0 321.486 3.567 50 0 DHAARO Cc1nc2ncc(-c3ccc([C@@H](C)[NH+]4CCCCC4)cc3)cn2n1 ZINC000426643033 257244801 /nfs/dbraw/zinc/24/48/01/257244801.db2.gz ROGUVSIBYNYXQL-CQSZACIVSA-N 1 0 321.428 3.647 50 0 DHAARO C[C@@H](c1ccc(-c2cc(CO)ncc2F)cc1)[NH+]1CCCCC1 ZINC000426473523 257249612 /nfs/dbraw/zinc/24/96/12/257249612.db2.gz KDHWDKPWKBWJEW-AWEZNQCLSA-N 1 0 314.404 3.927 50 0 DHAARO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000408519223 257255484 /nfs/dbraw/zinc/25/54/84/257255484.db2.gz WGXXMXXWNMRZPI-IIDMSEBBSA-N 1 0 302.462 3.642 50 0 DHAARO CC[C@@H]([NH2+]C1CCN(c2ccccc2F)CC1)c1ccccn1 ZINC000067447006 134833932 /nfs/dbraw/zinc/83/39/32/134833932.db2.gz BCAIAWPBBIXWRN-QGZVFWFLSA-N 1 0 313.420 3.930 50 0 DHAARO CCn1cc(C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)c(C)n1 ZINC000534655924 334313782 /nfs/dbraw/zinc/31/37/82/334313782.db2.gz TUFGZYIAJZKICD-CQSZACIVSA-N 1 0 310.445 3.804 50 0 DHAARO CCCN(Cc1ccccc1C)C(=O)NCC(C)(C)[N@H+](C)CC ZINC000534661964 334322203 /nfs/dbraw/zinc/32/22/03/334322203.db2.gz QEJNIUGOEUDIIL-UHFFFAOYSA-N 1 0 319.493 3.647 50 0 DHAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000252487551 563610328 /nfs/dbraw/zinc/61/03/28/563610328.db2.gz YXAPHSUDXGTWLZ-FORMXFIPSA-N 1 0 305.553 3.576 50 0 DHAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C ZINC000036100053 563893985 /nfs/dbraw/zinc/89/39/85/563893985.db2.gz BBTLYKHHDSRLMJ-HXUWFJFHSA-N 1 0 321.505 3.877 50 0 DHAARO CC[C@@H]1c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](CC)=C1C ZINC000003151810 563323188 /nfs/dbraw/zinc/32/31/88/563323188.db2.gz OMLHKAHMGDKJFE-NSHDSACASA-N 1 0 320.356 3.612 50 0 DHAARO O=C(Nc1cccc(Cl)c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000000052310 563212035 /nfs/dbraw/zinc/21/20/35/563212035.db2.gz QGDPUOFWKLLOFY-HNNXBMFYSA-N 1 0 321.852 3.869 50 0 DHAARO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000000254096 563233988 /nfs/dbraw/zinc/23/39/88/563233988.db2.gz UMUCBPXJVNTFQN-UHFFFAOYSA-N 1 0 314.816 3.727 50 0 DHAARO CCC[NH+]1CCC(N(C(=O)Nc2ccccc2)C2CC2)CC1 ZINC000001741555 563294635 /nfs/dbraw/zinc/29/46/35/563294635.db2.gz NPBZCXNAIRRYSS-UHFFFAOYSA-N 1 0 301.434 3.557 50 0 DHAARO CC1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000002269020 563302506 /nfs/dbraw/zinc/30/25/06/563302506.db2.gz HPDVLPKGPWJOJR-QGZVFWFLSA-N 1 0 322.452 3.887 50 0 DHAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000002514591 563305296 /nfs/dbraw/zinc/30/52/96/563305296.db2.gz BKXMGIRCUCLVOK-UHFFFAOYSA-N 1 0 319.326 3.931 50 0 DHAARO CC(C)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000002692864 563311055 /nfs/dbraw/zinc/31/10/55/563311055.db2.gz MXEAGZWZLNDZPO-VQIMIIECSA-N 1 0 313.441 3.901 50 0 DHAARO CC[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000002764967 563313316 /nfs/dbraw/zinc/31/33/16/563313316.db2.gz OITYBGGLKRANRN-UHFFFAOYSA-N 1 0 300.377 3.676 50 0 DHAARO CC[C@H]1c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](CC)=C1C ZINC000003151809 563323266 /nfs/dbraw/zinc/32/32/66/563323266.db2.gz OMLHKAHMGDKJFE-LLVKDONJSA-N 1 0 320.356 3.612 50 0 DHAARO Cc1ccc(C)c(N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000006390394 563332385 /nfs/dbraw/zinc/33/23/85/563332385.db2.gz UGFPJTWZCPQGJN-UHFFFAOYSA-N 1 0 306.453 3.593 50 0 DHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCCCO2)cc1C ZINC000011818883 563360150 /nfs/dbraw/zinc/36/01/50/563360150.db2.gz LTBNPQGZKXSUOZ-GOSISDBHSA-N 1 0 313.445 3.742 50 0 DHAARO CC[C@H](C)C[NH+]1CCC2(C[C@@H]2C(=O)Nc2cccc(F)c2)CC1 ZINC000012164212 563363122 /nfs/dbraw/zinc/36/31/22/563363122.db2.gz ANYJBAZROMFFPC-WMLDXEAASA-N 1 0 318.436 3.912 50 0 DHAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012320313 563366519 /nfs/dbraw/zinc/36/65/19/563366519.db2.gz CBPIDFGANMEGKQ-MRXNPFEDSA-N 1 0 314.816 3.830 50 0 DHAARO CCn1ncc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)c1C ZINC000012385760 563368462 /nfs/dbraw/zinc/36/84/62/563368462.db2.gz HPIMFHTYNVIJHB-AWEZNQCLSA-N 1 0 323.444 3.556 50 0 DHAARO Cc1occc1C(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012576257 563371383 /nfs/dbraw/zinc/37/13/83/563371383.db2.gz UOXZTBDUOBYZOQ-HNNXBMFYSA-N 1 0 304.434 3.505 50 0 DHAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(C)noc2C)c(OC)c1 ZINC000032751530 563390259 /nfs/dbraw/zinc/39/02/59/563390259.db2.gz LYCTYTMDSVDXRJ-QGZVFWFLSA-N 1 0 316.401 3.646 50 0 DHAARO CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000032850697 563403118 /nfs/dbraw/zinc/40/31/18/563403118.db2.gz SWGZPHVUDRDBMM-SQNIBIBYSA-N 1 0 314.473 3.644 50 0 DHAARO c1sc(-c2ncccn2)nc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069894795 563420330 /nfs/dbraw/zinc/42/03/30/563420330.db2.gz DXSXYUOEBGQCOP-OAHLLOKOSA-N 1 0 322.437 3.590 50 0 DHAARO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000025364516 563422662 /nfs/dbraw/zinc/42/26/62/563422662.db2.gz XEWPRUCKISEGNZ-INIZCTEOSA-N 1 0 306.413 3.735 50 0 DHAARO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C(N)=O)cc1 ZINC000027359696 563428090 /nfs/dbraw/zinc/42/80/90/563428090.db2.gz YIROKJJPQRLTTI-UHFFFAOYSA-N 1 0 308.834 3.523 50 0 DHAARO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000027782551 563430125 /nfs/dbraw/zinc/43/01/25/563430125.db2.gz KWKRPTVSPCFPNH-KMYSJOAASA-N 1 0 318.505 3.582 50 0 DHAARO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nc3ccccc3s2)C1(C)C ZINC000072305312 563444254 /nfs/dbraw/zinc/44/42/54/563444254.db2.gz HSTRWGMSSPVTFH-PBHICJAKSA-N 1 0 304.459 3.932 50 0 DHAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCC(O)CC1 ZINC000000214121 563446819 /nfs/dbraw/zinc/44/68/19/563446819.db2.gz MCRQNXGPOIQXLV-VCANKDNSSA-N 1 0 301.352 3.530 50 0 DHAARO Clc1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000000216734 563446910 /nfs/dbraw/zinc/44/69/10/563446910.db2.gz DGNMYXGLQJVLLI-UHFFFAOYSA-N 1 0 300.833 3.705 50 0 DHAARO C[C@@H]1C[NH+](CCOc2ccccc2-c2ccccc2)C[C@@H](C)O1 ZINC000020167235 563449093 /nfs/dbraw/zinc/44/90/93/563449093.db2.gz NHWONOABSYXUBC-IAGOWNOFSA-N 1 0 311.425 3.842 50 0 DHAARO C[C@@H](Cc1ccc(F)cc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022455164 563449623 /nfs/dbraw/zinc/44/96/23/563449623.db2.gz CMJFRSBXJLAIIS-KRWDZBQOSA-N 1 0 312.432 3.575 50 0 DHAARO CC[C@H](CO)[N@H+](C/C=C/c1ccccc1OC)Cc1ccco1 ZINC000055211985 563472624 /nfs/dbraw/zinc/47/26/24/563472624.db2.gz AWGPQZNHGOXHSY-RCMYXZNBSA-N 1 0 315.413 3.575 50 0 DHAARO CCOc1ccccc1C[N@H+](CC)Cc1ccc(OC)c(O)c1 ZINC000055269540 563472630 /nfs/dbraw/zinc/47/26/30/563472630.db2.gz YGWJFYMJYXJVGD-UHFFFAOYSA-N 1 0 315.413 3.822 50 0 DHAARO CNc1ncccc1CN(Cc1ccsc1)Cc1ccco1 ZINC000055253348 563472758 /nfs/dbraw/zinc/47/27/58/563472758.db2.gz VETQDPMLMOHHTG-UHFFFAOYSA-N 1 0 313.426 3.980 50 0 DHAARO COc1ccc(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)cc1CO ZINC000055326215 563474738 /nfs/dbraw/zinc/47/47/38/563474738.db2.gz OKGLRNGOQJKKBX-OAHLLOKOSA-N 1 0 317.429 3.827 50 0 DHAARO Cc1ccc(C)c(OCC[N@@H+](C)Cc2cnc3ccccc3n2)c1 ZINC000055384642 563475507 /nfs/dbraw/zinc/47/55/07/563475507.db2.gz RAEDHOOJOHWWLQ-UHFFFAOYSA-N 1 0 321.424 3.757 50 0 DHAARO Cc1ccccc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055543024 563476565 /nfs/dbraw/zinc/47/65/65/563476565.db2.gz JEFSZSYAEZTAQW-UHFFFAOYSA-N 1 0 300.833 3.971 50 0 DHAARO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000096477402 563484360 /nfs/dbraw/zinc/48/43/60/563484360.db2.gz GVABNABXBHEWNY-PEBXRYMYSA-N 1 0 319.445 3.847 50 0 DHAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+](C)CC1(CO)CCC1 ZINC000067588113 563487964 /nfs/dbraw/zinc/48/79/64/563487964.db2.gz XXJGXXCARXFJSX-UHFFFAOYSA-N 1 0 314.429 3.553 50 0 DHAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)n1 ZINC000067676716 563488487 /nfs/dbraw/zinc/48/84/87/563488487.db2.gz TUZUSCSNMNEZII-HNNXBMFYSA-N 1 0 310.445 3.510 50 0 DHAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)n1 ZINC000067676719 563488607 /nfs/dbraw/zinc/48/86/07/563488607.db2.gz TUZUSCSNMNEZII-OAHLLOKOSA-N 1 0 310.445 3.510 50 0 DHAARO CCCC[C@H](C1=CCC[N@H+](C)C1)N(C)C(=O)c1cccs1 ZINC000067804630 563491586 /nfs/dbraw/zinc/49/15/86/563491586.db2.gz BPAZIYMUVBQCLR-OAHLLOKOSA-N 1 0 306.475 3.641 50 0 DHAARO CSC(C)(C)C[C@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000067847723 563492479 /nfs/dbraw/zinc/49/24/79/563492479.db2.gz ZFGFDMNMPCCKSD-HNNXBMFYSA-N 1 0 321.534 3.556 50 0 DHAARO CC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000067973666 563493880 /nfs/dbraw/zinc/49/38/80/563493880.db2.gz OZSRNPBNDAPDSV-MRXNPFEDSA-N 1 0 324.468 3.824 50 0 DHAARO O=C(Nc1ccc(Cl)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128913 563497073 /nfs/dbraw/zinc/49/70/73/563497073.db2.gz UTOWNDLVVJABNZ-UHFFFAOYSA-N 1 0 315.804 3.590 50 0 DHAARO CCCCCC[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000071772062 563500487 /nfs/dbraw/zinc/50/04/87/563500487.db2.gz OIJJTCCRNKYZHW-ZDUSSCGKSA-N 1 0 305.249 3.779 50 0 DHAARO O=C(NCC1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000072437398 563503255 /nfs/dbraw/zinc/50/32/55/563503255.db2.gz KEHFVUXRXYSEMS-UHFFFAOYSA-N 1 0 314.473 3.595 50 0 DHAARO C[C@H](C[N@H+](C)Cc1cc(-c2cccnc2)no1)c1ccccc1 ZINC000077322826 563508960 /nfs/dbraw/zinc/50/89/60/563508960.db2.gz QMMNRMFUYZVPGD-OAHLLOKOSA-N 1 0 307.397 3.972 50 0 DHAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccoc2)cc1 ZINC000077320884 563509047 /nfs/dbraw/zinc/50/90/47/563509047.db2.gz PHTSPYXJOAASHJ-SFHVURJKSA-N 1 0 312.413 3.709 50 0 DHAARO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000097229627 563513951 /nfs/dbraw/zinc/51/39/51/563513951.db2.gz RACIXPNHACUEFU-MDOVXXIYSA-N 1 0 317.857 3.649 50 0 DHAARO COc1ccc([C@H]([NH2+][C@@H]2C=CCCC2)C2CCOCC2)cc1 ZINC000097230813 563514459 /nfs/dbraw/zinc/51/44/59/563514459.db2.gz USFZEQPIOOKLGJ-MJGOQNOKSA-N 1 0 301.430 3.861 50 0 DHAARO Cc1cc(C[NH2+]CCc2cccnc2)cc(C)c1OC(F)F ZINC000097287656 563515062 /nfs/dbraw/zinc/51/50/62/563515062.db2.gz FIBXTCHGQUIFNP-UHFFFAOYSA-N 1 0 306.356 3.632 50 0 DHAARO C[C@H](N[C@H]1CCCn2ncnc21)c1cc2cc(Cl)ccc2o1 ZINC000097034640 563515986 /nfs/dbraw/zinc/51/59/86/563515986.db2.gz VWBQIEWXRWTJRA-GWCFXTLKSA-N 1 0 316.792 3.863 50 0 DHAARO C[C@H](CC(F)(F)F)[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000158013669 563524677 /nfs/dbraw/zinc/52/46/77/563524677.db2.gz OWVVFDKUZXHOPO-GHMZBOCLSA-N 1 0 322.321 3.722 50 0 DHAARO CC[NH+](CC)CCNc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000000084804 563524844 /nfs/dbraw/zinc/52/48/44/563524844.db2.gz HFECVZFVUCMTIY-GFCCVEGCSA-N 1 0 318.490 3.570 50 0 DHAARO c1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)co1 ZINC000095363981 563529464 /nfs/dbraw/zinc/52/94/64/563529464.db2.gz HQJJUZQDRQUGEH-PZJWPPBQSA-N 1 0 324.468 3.809 50 0 DHAARO CCCCn1ccnc1[C@H]1CCC[N@H+](Cc2scnc2C)C1 ZINC000095387255 563530042 /nfs/dbraw/zinc/53/00/42/563530042.db2.gz UMEJFKQNSWELQF-HNNXBMFYSA-N 1 0 318.490 3.828 50 0 DHAARO O[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000097243895 563538882 /nfs/dbraw/zinc/53/88/82/563538882.db2.gz FBBOGDYMCODYSV-IBGZPJMESA-N 1 0 311.425 3.612 50 0 DHAARO Fc1ccc(-c2nc3c([nH]2)C[N@@H+](C2CCCC2)CC3)c(F)c1 ZINC000097594974 563540661 /nfs/dbraw/zinc/54/06/61/563540661.db2.gz PVTCQRDDVOONCR-UHFFFAOYSA-N 1 0 303.356 3.656 50 0 DHAARO COc1cc(F)ccc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC000097679709 563540860 /nfs/dbraw/zinc/54/08/60/563540860.db2.gz GLIFSFLWRLLQHM-UHFFFAOYSA-N 1 0 300.377 3.882 50 0 DHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000097766401 563542829 /nfs/dbraw/zinc/54/28/29/563542829.db2.gz WACPKAKGEHBNIC-GOSISDBHSA-N 1 0 322.412 3.814 50 0 DHAARO FC(F)(F)c1ccccc1C[NH2+]CCCOc1ccccn1 ZINC000113397043 563581569 /nfs/dbraw/zinc/58/15/69/563581569.db2.gz MHCAXABFHAMCLT-UHFFFAOYSA-N 1 0 310.319 3.659 50 0 DHAARO COc1ccc(Cl)cc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113399079 563581885 /nfs/dbraw/zinc/58/18/85/563581885.db2.gz NQDKPMWBBFGADL-UHFFFAOYSA-N 1 0 315.804 3.557 50 0 DHAARO C[NH+](C)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000000357080 563590254 /nfs/dbraw/zinc/59/02/54/563590254.db2.gz UOWGEHUPKGKPJJ-UHFFFAOYSA-N 1 0 314.454 3.941 50 0 DHAARO Cc1ccc(C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C)c(C)c1 ZINC000036098900 563594944 /nfs/dbraw/zinc/59/49/44/563594944.db2.gz LSDKVTMNAFSKJE-SFHVURJKSA-N 1 0 307.478 3.690 50 0 DHAARO CCOC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000248024913 563599324 /nfs/dbraw/zinc/59/93/24/563599324.db2.gz LJHWMEFOWPATJQ-PMACEKPBSA-N 1 0 323.436 3.855 50 0 DHAARO OC[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccn(Cc2ccccc2)c1 ZINC000126638373 563603926 /nfs/dbraw/zinc/60/39/26/563603926.db2.gz KZPDRXAOTNZSII-PMACEKPBSA-N 1 0 312.457 3.567 50 0 DHAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000062254692 563622227 /nfs/dbraw/zinc/62/22/27/563622227.db2.gz AJDANUZZLQXYLE-INIZCTEOSA-N 1 0 323.440 3.861 50 0 DHAARO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136493620 563622249 /nfs/dbraw/zinc/62/22/49/563622249.db2.gz QWIORALZDTZFSP-DOTOQJQBSA-N 1 0 303.446 3.795 50 0 DHAARO Cc1cc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c(C)c1 ZINC000003194183 563622301 /nfs/dbraw/zinc/62/23/01/563622301.db2.gz CITKQVBWORSVBS-PKOBYXMFSA-N 1 0 313.441 3.702 50 0 DHAARO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000153880375 563626060 /nfs/dbraw/zinc/62/60/60/563626060.db2.gz FTDVAORRMIOBED-INIZCTEOSA-N 1 0 314.454 3.516 50 0 DHAARO COC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000000212276 563628416 /nfs/dbraw/zinc/62/84/16/563628416.db2.gz OJCFUWRQHCBVCX-UHFFFAOYSA-N 1 0 323.436 3.928 50 0 DHAARO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@](C)(CO)C1 ZINC000107367546 563683412 /nfs/dbraw/zinc/68/34/12/563683412.db2.gz QMOGJVSNJZOYSB-DOMZBBRYSA-N 1 0 312.251 3.605 50 0 DHAARO O=C(c1ccccc1F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000044858449 563684963 /nfs/dbraw/zinc/68/49/63/563684963.db2.gz RBTWXYCDECZKSB-UHFFFAOYSA-N 1 0 318.436 3.554 50 0 DHAARO c1ccc(C[N@@H+]2C[C@@H]3CSC[C@H](C2)C32SCCS2)cc1 ZINC000019909888 563695445 /nfs/dbraw/zinc/69/54/45/563695445.db2.gz MITPIKZUBACLJI-GASCZTMLSA-N 1 0 323.552 3.658 50 0 DHAARO Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000048325688 563696560 /nfs/dbraw/zinc/69/65/60/563696560.db2.gz JJDTVWSSVQVCEN-JKSUJKDBSA-N 1 0 303.450 3.688 50 0 DHAARO CN(Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1Cl ZINC000048345342 563697124 /nfs/dbraw/zinc/69/71/24/563697124.db2.gz LPZPNKCYYNQMAE-UHFFFAOYSA-N 1 0 307.752 3.840 50 0 DHAARO O=c1cc(C[N@@H+]2CCCC[C@H]2c2ccccn2)[nH]c2ccccc12 ZINC000215257090 563703899 /nfs/dbraw/zinc/70/38/99/563703899.db2.gz CXAZKXGMZWVSKV-IBGZPJMESA-N 1 0 319.408 3.650 50 0 DHAARO Cc1ccccc1-n1cc(C[N@H+](C)CCC[C@@H]2CCCO2)cn1 ZINC000216205196 563707992 /nfs/dbraw/zinc/70/79/92/563707992.db2.gz ZQRYSNZHGFUNTF-GOSISDBHSA-N 1 0 313.445 3.572 50 0 DHAARO CCn1cncc1C[N@@H+]1CCC[C@H](COc2ccccc2C)C1 ZINC000216289615 563708980 /nfs/dbraw/zinc/70/89/80/563708980.db2.gz AIRHRQPRKLDSSU-KRWDZBQOSA-N 1 0 313.445 3.502 50 0 DHAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCCCC1 ZINC000002826999 563724140 /nfs/dbraw/zinc/72/41/40/563724140.db2.gz CIIGDFNHZWGKAH-LJQANCHMSA-N 1 0 311.425 3.579 50 0 DHAARO CC(C)C[NH+]1CCC(CN(C)C(=O)c2cccn2C(C)C)CC1 ZINC000222812935 563728784 /nfs/dbraw/zinc/72/87/84/563728784.db2.gz IEBQBOXYFSEFCZ-UHFFFAOYSA-N 1 0 319.493 3.509 50 0 DHAARO Fc1ccc2c(NCCc3nccn3C(F)F)cc[nH+]c2c1 ZINC000225385833 563753306 /nfs/dbraw/zinc/75/33/06/563753306.db2.gz CELFQDHAOALIBQ-UHFFFAOYSA-N 1 0 306.291 3.620 50 0 DHAARO C(c1nnc2n1CCCC2)[N@@H+]1CCCCC[C@H]1C1CCCCC1 ZINC000242183893 563778152 /nfs/dbraw/zinc/77/81/52/563778152.db2.gz XCTPMNQVBYSZRR-KRWDZBQOSA-N 1 0 316.493 3.939 50 0 DHAARO Cc1nc(CCN(C)Cc2nc3cc(C)c(C)cc3[nH]2)cs1 ZINC000244883985 563779928 /nfs/dbraw/zinc/77/99/28/563779928.db2.gz YDCXIJQTXITWEU-UHFFFAOYSA-N 1 0 314.458 3.619 50 0 DHAARO CCCn1cc(C[NH2+]CCOc2ccccn2)c2ccccc21 ZINC000247984884 563781868 /nfs/dbraw/zinc/78/18/68/563781868.db2.gz INCOKRYNKZPTTE-UHFFFAOYSA-N 1 0 309.413 3.615 50 0 DHAARO CC(C)[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000247988400 563782260 /nfs/dbraw/zinc/78/22/60/563782260.db2.gz JKONWGBTXZSURP-UHFFFAOYSA-N 1 0 324.403 3.631 50 0 DHAARO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000183708817 563796095 /nfs/dbraw/zinc/79/60/95/563796095.db2.gz WLQRPQPEHWADRZ-OAHLLOKOSA-N 1 0 320.396 3.857 50 0 DHAARO CN(CCC[NH+](C)C)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000299762998 563804952 /nfs/dbraw/zinc/80/49/52/563804952.db2.gz FQONYVZMQVKECN-UHFFFAOYSA-N 1 0 311.429 3.769 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(-c2ccco2)c1 ZINC000299765423 563805949 /nfs/dbraw/zinc/80/59/49/563805949.db2.gz GNUATYQMBWYETA-MRXNPFEDSA-N 1 0 313.401 3.552 50 0 DHAARO OCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000078409431 563808491 /nfs/dbraw/zinc/80/84/91/563808491.db2.gz RBMHRHVPFINBAS-UHFFFAOYSA-N 1 0 300.185 3.725 50 0 DHAARO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OC(F)F ZINC000035054722 563808610 /nfs/dbraw/zinc/80/86/10/563808610.db2.gz VFGLOEPKEDQYND-ZDUSSCGKSA-N 1 0 318.795 3.515 50 0 DHAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000012674136 563809112 /nfs/dbraw/zinc/80/91/12/563809112.db2.gz SUJAQCINCVJIIU-SCLBCKFNSA-N 1 0 312.388 3.894 50 0 DHAARO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000124268424 563812059 /nfs/dbraw/zinc/81/20/59/563812059.db2.gz GCYGBLKMPRUWIV-QEEYODRMSA-N 1 0 321.424 3.913 50 0 DHAARO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000084148697 563824235 /nfs/dbraw/zinc/82/42/35/563824235.db2.gz QYBFIDPEFVGDFE-OXJNMPFZSA-N 1 0 321.424 3.565 50 0 DHAARO Cc1ccccc1C[N@@H+](C)CCC(=O)N[C@@H](C)c1ccccc1 ZINC000012754066 563825110 /nfs/dbraw/zinc/82/51/10/563825110.db2.gz NGAAALDUKMJIGP-KRWDZBQOSA-N 1 0 310.441 3.694 50 0 DHAARO CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1(C)C ZINC000084575476 563827428 /nfs/dbraw/zinc/82/74/28/563827428.db2.gz WVGWJHYRHCAOQV-ROUUACIJSA-N 1 0 320.521 3.804 50 0 DHAARO O=c1cc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)occ1O ZINC000084594638 563828190 /nfs/dbraw/zinc/82/81/90/563828190.db2.gz SWIUCNMUCCWIJS-KRWDZBQOSA-N 1 0 324.380 3.554 50 0 DHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000084779992 563831335 /nfs/dbraw/zinc/83/13/35/563831335.db2.gz GZAAAPYZNNNXMH-IAGOWNOFSA-N 1 0 317.477 3.806 50 0 DHAARO CC[C@H](C[NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000085298541 563835061 /nfs/dbraw/zinc/83/50/61/563835061.db2.gz KUTAHDNOOTYVIX-IERDGZPVSA-N 1 0 301.455 3.707 50 0 DHAARO CC[N@H+](C)[C@H]1CCN([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000225409599 563869778 /nfs/dbraw/zinc/86/97/78/563869778.db2.gz JIIAKJLVXRYYLZ-OCCSQVGLSA-N 1 0 316.367 3.672 50 0 DHAARO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720314 563870950 /nfs/dbraw/zinc/87/09/50/563870950.db2.gz WLMRZHOTYMHCHD-SJLPKXTDSA-N 1 0 308.425 3.527 50 0 DHAARO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1c(C)noc1C ZINC000090887428 563876496 /nfs/dbraw/zinc/87/64/96/563876496.db2.gz FZUXCABVHGZIBJ-QMTHXVAHSA-N 1 0 302.374 3.822 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000241588235 563880838 /nfs/dbraw/zinc/88/08/38/563880838.db2.gz PBDNONQNQCANRD-IAGOWNOFSA-N 1 0 315.461 3.805 50 0 DHAARO CCc1nn(C)cc1C[NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000092372007 563882538 /nfs/dbraw/zinc/88/25/38/563882538.db2.gz DXXOHGXOWTZMLG-MRXNPFEDSA-N 1 0 301.434 3.687 50 0 DHAARO C[C@H](C[NH2+][C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000075572740 563884833 /nfs/dbraw/zinc/88/48/33/563884833.db2.gz RAISYGIMJPZXCH-NQIIRXRSSA-N 1 0 308.469 3.697 50 0 DHAARO COc1ccc(C2(C[NH2+]C(C3CC3)C3CC3)CCOCC2)cc1 ZINC000089438964 563887442 /nfs/dbraw/zinc/88/74/42/563887442.db2.gz VRYDSIHOHTVANO-UHFFFAOYSA-N 1 0 315.457 3.522 50 0 DHAARO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 ZINC000089580462 563891245 /nfs/dbraw/zinc/89/12/45/563891245.db2.gz SSQFQZADRGIFRN-ZIAGYGMSSA-N 1 0 310.401 3.889 50 0 DHAARO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000036056059 563892356 /nfs/dbraw/zinc/89/23/56/563892356.db2.gz HHWGKKRJFHZDRY-KEYYUXOJSA-N 1 0 304.434 3.581 50 0 DHAARO Cc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1 ZINC000036098704 563893206 /nfs/dbraw/zinc/89/32/06/563893206.db2.gz ZSFYNQXTWFTQGJ-LJQANCHMSA-N 1 0 313.441 3.645 50 0 DHAARO CCC[N@@H+](Cc1ccco1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036096519 563893367 /nfs/dbraw/zinc/89/33/67/563893367.db2.gz BTTQTPLLTKJMIP-OAHLLOKOSA-N 1 0 323.820 3.585 50 0 DHAARO CCCCC[C@H](C)[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000006940262 563900028 /nfs/dbraw/zinc/90/00/28/563900028.db2.gz LFWAWRNAGYWOIA-HOCLYGCPSA-N 1 0 313.869 3.776 50 0 DHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000249276163 563901558 /nfs/dbraw/zinc/90/15/58/563901558.db2.gz MBRAPPMKHXNEQR-RFGFWPKPSA-N 1 0 323.424 3.752 50 0 DHAARO CCC[C@@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000170596950 563907169 /nfs/dbraw/zinc/90/71/69/563907169.db2.gz ILVCOLYTSPUCFQ-OAHLLOKOSA-N 1 0 316.449 3.786 50 0 DHAARO CC[NH+](CC)Cc1ccc(NC(=O)c2scnc2C)cc1 ZINC000170605300 563907269 /nfs/dbraw/zinc/90/72/69/563907269.db2.gz QTRLKPHXYXVXOK-UHFFFAOYSA-N 1 0 303.431 3.546 50 0 DHAARO COc1cccc(N[C@H](CNc2ccnc(C)n2)C(C)(C)C)c1 ZINC000170603324 563907351 /nfs/dbraw/zinc/90/73/51/563907351.db2.gz DEBCQHDWSMHTMO-MRXNPFEDSA-N 1 0 314.433 3.732 50 0 DHAARO CC(C)c1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000007518783 563907813 /nfs/dbraw/zinc/90/78/13/563907813.db2.gz SOONKJFHEHGFRN-UHFFFAOYSA-N 1 0 307.507 3.684 50 0 DHAARO COc1ccc(OC)c(-c2cncc(C[NH+]3CCCCC3)c2)c1 ZINC000037279087 563908113 /nfs/dbraw/zinc/90/81/13/563908113.db2.gz VUTDXTLHCRJBQL-UHFFFAOYSA-N 1 0 312.413 3.752 50 0 DHAARO CC(=O)Nc1ccc(-c2nc([C@@H]3CCC[NH2+]3)sc2C)cc1 ZINC000170614799 563908502 /nfs/dbraw/zinc/90/85/02/563908502.db2.gz VVDBSNGDOXFJNZ-AWEZNQCLSA-N 1 0 301.415 3.501 50 0 DHAARO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)o1 ZINC000089596798 563910729 /nfs/dbraw/zinc/91/07/29/563910729.db2.gz MVPSJEULUWTIDZ-OAHLLOKOSA-N 1 0 312.413 3.561 50 0 DHAARO Cc1nccn1CCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000089735660 563911019 /nfs/dbraw/zinc/91/10/19/563911019.db2.gz IHRGBFSZQSDNIM-UHFFFAOYSA-N 1 0 301.409 3.633 50 0 DHAARO C[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1cccc(F)c1 ZINC000089905222 563912144 /nfs/dbraw/zinc/91/21/44/563912144.db2.gz VTWCBUDAHVXBSS-OAHLLOKOSA-N 1 0 309.388 3.921 50 0 DHAARO C[C@H](NC(=O)Nc1cccc2ccccc21)C(C)(C)C[NH+](C)C ZINC000076091966 563912369 /nfs/dbraw/zinc/91/23/69/563912369.db2.gz DRVUPNGLKNKVHG-AWEZNQCLSA-N 1 0 313.445 3.938 50 0 DHAARO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000170660141 563917275 /nfs/dbraw/zinc/91/72/75/563917275.db2.gz VTNYFNANZNOOFF-UHFFFAOYSA-N 1 0 321.323 3.615 50 0 DHAARO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000195575839 563919763 /nfs/dbraw/zinc/91/97/63/563919763.db2.gz SYQIZYSEWALVKY-VQIMIIECSA-N 1 0 307.478 3.639 50 0 DHAARO CC[C@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)c1ccncc1 ZINC000584899995 563925565 /nfs/dbraw/zinc/92/55/65/563925565.db2.gz WNZCKQUZDUYYON-IBGZPJMESA-N 1 0 313.420 3.930 50 0 DHAARO COc1cc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)ccc1F ZINC000055008569 563926042 /nfs/dbraw/zinc/92/60/42/563926042.db2.gz ADKORIBAHBCONO-IBGZPJMESA-N 1 0 308.356 3.818 50 0 DHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000078897184 563930087 /nfs/dbraw/zinc/93/00/87/563930087.db2.gz WUUXTDPQBHAPPB-BEFAXECRSA-N 1 0 310.441 3.576 50 0 DHAARO Cc1noc(C)c1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502651 563930417 /nfs/dbraw/zinc/93/04/17/563930417.db2.gz WARUNTAAGKKNGY-SFHVURJKSA-N 1 0 314.429 3.515 50 0 DHAARO C[C@H]([NH2+]Cc1cc2ccccc2o1)c1cccc(-n2cncn2)c1 ZINC000080241158 563930860 /nfs/dbraw/zinc/93/08/60/563930860.db2.gz NWSQUTQMTFAKME-AWEZNQCLSA-N 1 0 318.380 3.864 50 0 DHAARO Cc1nccn1CCCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000095423165 563931674 /nfs/dbraw/zinc/93/16/74/563931674.db2.gz KQFMKISPPPKERI-CYBMUJFWSA-N 1 0 314.458 3.932 50 0 DHAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)NC[C@H](C)c2ccccc2)c1 ZINC000095939079 563932041 /nfs/dbraw/zinc/93/20/41/563932041.db2.gz URDKRSKXTKIGJA-ZWKOTPCHSA-N 1 0 324.468 3.874 50 0 DHAARO c1nc(CN2CCN(c3ccccc3)CC2)oc1-c1ccccc1 ZINC000095950302 563932145 /nfs/dbraw/zinc/93/21/45/563932145.db2.gz VTOQRROVVPDIIF-UHFFFAOYSA-N 1 0 319.408 3.664 50 0 DHAARO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)s1 ZINC000095965481 563932744 /nfs/dbraw/zinc/93/27/44/563932744.db2.gz TZDMXKVFAIGSFG-MRXNPFEDSA-N 1 0 314.454 3.997 50 0 DHAARO CC[C@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)C(C)C ZINC000095967919 563933111 /nfs/dbraw/zinc/93/31/11/563933111.db2.gz IJUKCVZXSYRRCW-KRWDZBQOSA-N 1 0 307.482 3.528 50 0 DHAARO C[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000095971502 563933493 /nfs/dbraw/zinc/93/34/93/563933493.db2.gz GJVIRSGHYCISFZ-HOTGVXAUSA-N 1 0 314.816 3.802 50 0 DHAARO COc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)c3ccsc3)oc21 ZINC000095987937 563934257 /nfs/dbraw/zinc/93/42/57/563934257.db2.gz ZQAYESOMJXWIAK-SMDDNHRTSA-N 1 0 317.410 3.887 50 0 DHAARO COc1ccc(C(=O)C(C)(C)[NH2+][C@H](C)Cc2ccccc2)cc1 ZINC000096027150 563935059 /nfs/dbraw/zinc/93/50/59/563935059.db2.gz MSBQBSYIMYLSRS-OAHLLOKOSA-N 1 0 311.425 3.877 50 0 DHAARO Cn1cc(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)cn1 ZINC000096476684 563937221 /nfs/dbraw/zinc/93/72/21/563937221.db2.gz IPMBLXIKMYNPPZ-AWEZNQCLSA-N 1 0 307.850 3.790 50 0 DHAARO Cc1nnc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000096493205 563937352 /nfs/dbraw/zinc/93/73/52/563937352.db2.gz OQMVPTATLXXRSO-AWEZNQCLSA-N 1 0 311.307 3.638 50 0 DHAARO C[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000097132244 563937873 /nfs/dbraw/zinc/93/78/73/563937873.db2.gz JMBDWKKGOUZKHY-KRWDZBQOSA-N 1 0 308.425 3.596 50 0 DHAARO CCC(C)(C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000002646002 563940091 /nfs/dbraw/zinc/94/00/91/563940091.db2.gz TWACBRNGJPHJQR-LLVKDONJSA-N 1 0 306.233 3.511 50 0 DHAARO C[S@](=O)c1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000230203010 563942053 /nfs/dbraw/zinc/94/20/53/563942053.db2.gz NFNSDAMWQCWVPB-NQIIRXRSSA-N 1 0 303.471 3.746 50 0 DHAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)cc1F ZINC000229556642 563945593 /nfs/dbraw/zinc/94/55/93/563945593.db2.gz JBTLARYYYPTLPW-JBBXEZCESA-N 1 0 322.399 3.501 50 0 DHAARO Fc1ccc([C@H]2CC[N@H+](Cc3cnc(-c4ccco4)nc3)C2)cc1 ZINC000670469497 563946928 /nfs/dbraw/zinc/94/69/28/563946928.db2.gz HYCBORNZYIGHBQ-INIZCTEOSA-N 1 0 323.371 3.865 50 0 DHAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cc(-c3ccccc3)no2)c1 ZINC000069520682 563953226 /nfs/dbraw/zinc/95/32/26/563953226.db2.gz DDRSUZLRZIGMMB-GJZGRUSLSA-N 1 0 310.401 3.586 50 0 DHAARO O[C@@H](C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000069737985 563954443 /nfs/dbraw/zinc/95/44/43/563954443.db2.gz XXXVGSWKBKQDCE-QAPCUYQASA-N 1 0 301.817 3.863 50 0 DHAARO CC(C)(C)c1ccccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000069808455 563954717 /nfs/dbraw/zinc/95/47/17/563954717.db2.gz OJAMGIXCABRHQG-HNNXBMFYSA-N 1 0 315.461 3.686 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000070015232 563955877 /nfs/dbraw/zinc/95/58/77/563955877.db2.gz PBDNONQNQCANRD-SJORKVTESA-N 1 0 315.461 3.805 50 0 DHAARO Cc1cc(C)n2cc(C[N@@H+](C)[C@H]3CCCc4ccccc43)nc2n1 ZINC000009516885 563956653 /nfs/dbraw/zinc/95/66/53/563956653.db2.gz GQUVGQLONIBHFN-IBGZPJMESA-N 1 0 320.440 3.856 50 0 DHAARO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H](O)c1ccc(O)cc1 ZINC000009591886 563957191 /nfs/dbraw/zinc/95/71/91/563957191.db2.gz UUHKXPRLUBBUFM-NZLBXHEYSA-N 1 0 303.446 3.763 50 0 DHAARO Clc1ccccc1OCCSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000009691497 563957310 /nfs/dbraw/zinc/95/73/10/563957310.db2.gz LKQMLYXTQLNVRS-STQMWFEESA-N 1 0 310.850 3.722 50 0 DHAARO CC(C)NC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000009833716 563957853 /nfs/dbraw/zinc/95/78/53/563957853.db2.gz SBLFHBREJCQFIK-UHFFFAOYSA-N 1 0 302.462 3.547 50 0 DHAARO CC(C)(CO)[NH2+]CCCCn1c2ccccc2c2ccccc21 ZINC000010383276 563958833 /nfs/dbraw/zinc/95/88/33/563958833.db2.gz QMXNWDRXGHWCDS-UHFFFAOYSA-N 1 0 310.441 3.935 50 0 DHAARO CC[N@@H+](Cc1cccs1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078047093 563960876 /nfs/dbraw/zinc/96/08/76/563960876.db2.gz JHZFVLOZRUBHNR-CQSZACIVSA-N 1 0 324.490 3.827 50 0 DHAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000072298497 1013595754 /nfs/dbraw/zinc/59/57/54/1013595754.db2.gz WANCGBNQFXOJNV-HNNXBMFYSA-N 1 0 319.836 3.732 50 0 DHAARO COc1cc2c(cc1OC)C[N@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000002490674 1014748789 /nfs/dbraw/zinc/74/87/89/1014748789.db2.gz PZEXBROALPCNLQ-UHFFFAOYSA-N 1 0 322.408 3.743 50 0 DHAARO FC(F)(F)Oc1ccc2c(c1)[C@H](NCc1nccs1)CC2 ZINC000128235965 1016553024 /nfs/dbraw/zinc/55/30/24/1016553024.db2.gz YHCFVPYVIHMHOY-GFCCVEGCSA-N 1 0 314.332 3.819 50 0 DHAARO C[N@H+](CC[C@@H]1CCCCO1)C1CCN(c2ccccc2F)CC1 ZINC000952963115 1032671055 /nfs/dbraw/zinc/67/10/55/1032671055.db2.gz FPEJNMYHUOSFQM-KRWDZBQOSA-N 1 0 320.452 3.686 50 0 DHAARO CCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1CO ZINC000952972481 1032674969 /nfs/dbraw/zinc/67/49/69/1032674969.db2.gz DCPXJAMVPOSAAM-HNNXBMFYSA-N 1 0 314.429 3.556 50 0 DHAARO CC(C)c1ncc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cn1 ZINC000952974912 1032676391 /nfs/dbraw/zinc/67/63/91/1032676391.db2.gz QUSBVBMYMFGWDJ-HNNXBMFYSA-N 1 0 321.428 3.637 50 0 DHAARO CN(C)c1ccc(C[NH2+][C@@H](CC(C)(C)C)c2cccnc2)cn1 ZINC000952987034 1032681095 /nfs/dbraw/zinc/68/10/95/1032681095.db2.gz IQRLZYSJPNHPHZ-KRWDZBQOSA-N 1 0 312.461 3.810 50 0 DHAARO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CN=S(C)(C)=O)C1 ZINC000952994141 1032682780 /nfs/dbraw/zinc/68/27/80/1032682780.db2.gz VLSUNPHSEASGTC-NVXWUHKLSA-N 1 0 308.491 3.577 50 0 DHAARO Cc1cc(N(C)Cc2nccn2C(F)F)c2ccccc2[nH+]1 ZINC000089583021 1032787738 /nfs/dbraw/zinc/78/77/38/1032787738.db2.gz RBYXIALCKUARNP-UHFFFAOYSA-N 1 0 302.328 3.771 50 0 DHAARO C/C=C(\C)C[NH2+][C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000011775691 1019223354 /nfs/dbraw/zinc/22/33/54/1019223354.db2.gz HVMYVEAXGXIARY-PTJFDQCRSA-N 1 0 313.367 3.625 50 0 DHAARO CC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@H](C[NH3+])C3)s1 ZINC000142520180 1019319771 /nfs/dbraw/zinc/31/97/71/1019319771.db2.gz XBXYMMAQSQFHPT-NSHDSACASA-N 1 0 307.802 3.533 50 0 DHAARO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](C2CCSCC2)C1 ZINC000011874364 1019451201 /nfs/dbraw/zinc/45/12/01/1019451201.db2.gz YDWCHTKKVJOSDX-LJQANCHMSA-N 1 0 319.514 3.589 50 0 DHAARO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)Cc2ccccc2O1 ZINC000012150841 1019919087 /nfs/dbraw/zinc/91/90/87/1019919087.db2.gz XPHCVXHGHXONMZ-HNNXBMFYSA-N 1 0 319.408 3.860 50 0 DHAARO C[C@H](Cc1ccsc1)NC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000821772443 1020272126 /nfs/dbraw/zinc/27/21/26/1020272126.db2.gz NQDIVHXZYAQNLL-OAHLLOKOSA-N 1 0 320.502 3.594 50 0 DHAARO CC[C@H](Cc1ccco1)[NH2+]CCC(=O)Nc1cccc(C)c1 ZINC000822620663 1020345273 /nfs/dbraw/zinc/34/52/73/1020345273.db2.gz CWCHPXFTIKXFHO-OAHLLOKOSA-N 1 0 300.402 3.528 50 0 DHAARO CC[C@@H]1CN(Cc2cccc(O)c2)Cc2cc(OC)ccc2O1 ZINC000012245058 1020403303 /nfs/dbraw/zinc/40/33/03/1020403303.db2.gz NCNHSJCWESDIPN-QGZVFWFLSA-N 1 0 313.397 3.574 50 0 DHAARO Cc1cc(C)cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177244633 1020543591 /nfs/dbraw/zinc/54/35/91/1020543591.db2.gz HORBSVGXJANLHI-UHFFFAOYSA-N 1 0 314.473 3.830 50 0 DHAARO COc1ccc2[nH]c(C[NH2+][C@@H]3CCN(c4ccccc4)C3)cc2c1 ZINC000824758397 1020582179 /nfs/dbraw/zinc/58/21/79/1020582179.db2.gz AKQRTSQSDIWNFB-MRXNPFEDSA-N 1 0 321.424 3.545 50 0 DHAARO CCC[C@]1(COC)CCC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000194934286 1020673789 /nfs/dbraw/zinc/67/37/89/1020673789.db2.gz DLTNRGLJCWAQBV-GOSISDBHSA-N 1 0 315.417 3.518 50 0 DHAARO Fc1ccc(F)c(-c2c[nH]nc2[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000020209034 1021789189 /nfs/dbraw/zinc/78/91/89/1021789189.db2.gz BPTCVUFDBWIKQL-CYBMUJFWSA-N 1 0 317.383 3.944 50 0 DHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)NC2CCCC2)CC1 ZINC000581787907 1021833878 /nfs/dbraw/zinc/83/38/78/1021833878.db2.gz JBGRQVBTQGBXOR-GOSISDBHSA-N 1 0 321.509 3.615 50 0 DHAARO O=C(Nc1ccccc1)N1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000581787931 1021834103 /nfs/dbraw/zinc/83/41/03/1021834103.db2.gz KNUUXVXLGXHKBG-KRWDZBQOSA-N 1 0 301.434 3.559 50 0 DHAARO O=C(Nc1ccccc1F)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581787755 1021835420 /nfs/dbraw/zinc/83/54/20/1021835420.db2.gz BGMBICQNOIEGSZ-OAHLLOKOSA-N 1 0 319.424 3.556 50 0 DHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(F)cc1 ZINC000004524881 1022424817 /nfs/dbraw/zinc/42/48/17/1022424817.db2.gz AVCYXRKRGKMSCJ-PKOBYXMFSA-N 1 0 324.399 3.582 50 0 DHAARO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417302628 1022669511 /nfs/dbraw/zinc/66/95/11/1022669511.db2.gz CPBKSYWPRUHUHV-NRSFXHEJSA-N 1 0 315.482 3.996 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000014903541 1022920144 /nfs/dbraw/zinc/92/01/44/1022920144.db2.gz FBEBHNUTRSVWEG-APHAIJBRSA-N 1 0 322.452 3.899 50 0 DHAARO CCn1c2ccccc2c2cc(C[NH+]3CCC(O)CC3)ccc21 ZINC000002811235 1023296424 /nfs/dbraw/zinc/29/64/24/1023296424.db2.gz ISRJWPYLINBUPK-UHFFFAOYSA-N 1 0 308.425 3.771 50 0 DHAARO CCS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000108371654 1023550187 /nfs/dbraw/zinc/55/01/87/1023550187.db2.gz LMJQIDCAWGDGFR-BPLDGKMQSA-N 1 0 318.490 3.671 50 0 DHAARO c1ccc(Cc2noc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000046054559 1023658089 /nfs/dbraw/zinc/65/80/89/1023658089.db2.gz UXIXVELMXUZARP-SJORKVTESA-N 1 0 311.429 3.815 50 0 DHAARO COC(=O)c1oc(CN2CCC[C@@H]2c2ccsc2)cc1C ZINC000046089417 1023662825 /nfs/dbraw/zinc/66/28/25/1023662825.db2.gz DATIQHJEEMJPII-CQSZACIVSA-N 1 0 305.399 3.773 50 0 DHAARO CCC(CC)NC(=O)CN(C)Cc1csc2ccccc12 ZINC000046089633 1023663538 /nfs/dbraw/zinc/66/35/38/1023663538.db2.gz YKAHNLZXIWHUGH-UHFFFAOYSA-N 1 0 304.459 3.638 50 0 DHAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000112529497 1024044680 /nfs/dbraw/zinc/04/46/80/1024044680.db2.gz LWGLHSGFUYMVNF-LBPRGKRZSA-N 1 0 306.356 3.998 50 0 DHAARO C[C@@H]([NH2+][C@H]1CCC12CCCC2)c1ccc(N2CCNC2=O)cc1 ZINC000786924861 1024257389 /nfs/dbraw/zinc/25/73/89/1024257389.db2.gz AWJDSKGODOJBCP-PBHICJAKSA-N 1 0 313.445 3.590 50 0 DHAARO CCCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+][C@H](C)CCc1ccccc1 ZINC000012353989 1024501306 /nfs/dbraw/zinc/50/13/06/1024501306.db2.gz XSCSLSHNONYAPT-DNVCBOLYSA-N 1 0 314.473 3.902 50 0 DHAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccco4)cc3)C2)[nH]1 ZINC000214948794 1024519043 /nfs/dbraw/zinc/51/90/43/1024519043.db2.gz LCTAVEULDDHDSX-QGZVFWFLSA-N 1 0 322.412 3.753 50 0 DHAARO COCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007524549 1024654680 /nfs/dbraw/zinc/65/46/80/1024654680.db2.gz FWLNJCPSFAZDPQ-UHFFFAOYSA-N 1 0 300.185 3.989 50 0 DHAARO C[C@@H]([NH2+]CCCNc1ccccc1)c1cc(Br)no1 ZINC000888098982 1024703567 /nfs/dbraw/zinc/70/35/67/1024703567.db2.gz SAYAYIDPCDPOFF-LLVKDONJSA-N 1 0 324.222 3.590 50 0 DHAARO C[C@@H](O)C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000090733610 1025084553 /nfs/dbraw/zinc/08/45/53/1025084553.db2.gz HLFBHJAUZWXFOY-GOSISDBHSA-N 1 0 317.432 3.949 50 0 DHAARO Cc1cc(C(=O)O[C@H]2CC[N@@H+](C)C2)sc1-c1ccc(F)cc1 ZINC000239672637 1025526584 /nfs/dbraw/zinc/52/65/84/1025526584.db2.gz BUIVIHTVZHTKID-AWEZNQCLSA-N 1 0 319.401 3.724 50 0 DHAARO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000239654032 1025527331 /nfs/dbraw/zinc/52/73/31/1025527331.db2.gz BMJJLJFCUXXSGW-CHWSQXEVSA-N 1 0 324.350 3.695 50 0 DHAARO CC(C)c1ccc(/C=C\CC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000222039176 1026116004 /nfs/dbraw/zinc/11/60/04/1026116004.db2.gz BSSZSEVSHWQANN-OGZRUICASA-N 1 0 314.473 3.812 50 0 DHAARO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1nc2ccccc2n1C(F)F ZINC000585079622 1029620144 /nfs/dbraw/zinc/62/01/44/1029620144.db2.gz NNBAZWWVTZYVBS-MNOVXSKESA-N 1 0 311.401 3.835 50 0 DHAARO C[C@H](NCc1nc(Cl)cs1)[C@H](c1ccccc1)[NH+](C)C ZINC000585117203 1029775696 /nfs/dbraw/zinc/77/56/96/1029775696.db2.gz URNSCCQITJBQFG-XHDPSFHLSA-N 1 0 309.866 3.578 50 0 DHAARO CC1=C(C)C[C@@H]([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000630061013 1031605193 /nfs/dbraw/zinc/60/51/93/1031605193.db2.gz VTUFEUYOEULELE-VUHPKUFZSA-N 1 0 317.477 3.612 50 0 DHAARO FC(F)(F)c1ccc(Cl)c(N=NC2C[NH+]3CCC2CC3)c1 ZINC000254741881 1038053600 /nfs/dbraw/zinc/05/36/00/1038053600.db2.gz NQXLRUFWXQXTKG-UHFFFAOYSA-N 1 0 317.742 3.852 50 0 DHAARO CC(C)(C)[S@](=O)CC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000089694428 1041065312 /nfs/dbraw/zinc/06/53/12/1041065312.db2.gz DPQOLIFDGCBXSD-NRFANRHFSA-N 1 0 324.877 3.525 50 0 DHAARO CCc1cccc(C)c1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000013964684 1041303640 /nfs/dbraw/zinc/30/36/40/1041303640.db2.gz FLMSTFNYUCBBIX-MRXNPFEDSA-N 1 0 317.477 3.799 50 0 DHAARO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000095698525 185383230 /nfs/dbraw/zinc/38/32/30/185383230.db2.gz ICVOJKXQMJHOFX-UHFFFAOYSA-N 1 0 319.232 3.608 50 0 DHAARO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000095704811 185383251 /nfs/dbraw/zinc/38/32/51/185383251.db2.gz LEECOBDSVZVCCJ-UHFFFAOYSA-N 1 0 319.232 3.608 50 0 DHAARO Fc1cccc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)c1F ZINC000095393944 185352080 /nfs/dbraw/zinc/35/20/80/185352080.db2.gz YKDOEWJJJWBHKR-SFHVURJKSA-N 1 0 316.395 3.892 50 0 DHAARO C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CCCCS(C)(=O)=O ZINC000095413828 185358175 /nfs/dbraw/zinc/35/81/75/185358175.db2.gz WCVGWLBSBIEJRV-HNNXBMFYSA-N 1 0 319.470 3.657 50 0 DHAARO C[C@H]([NH2+]CCCCn1ccccc1=O)c1cc2ccccc2o1 ZINC000095421256 185360497 /nfs/dbraw/zinc/36/04/97/185360497.db2.gz GAROBWDZDMFLDD-HNNXBMFYSA-N 1 0 310.397 3.726 50 0 DHAARO C[C@H](CCc1ccc(Br)cc1)[NH2+]C1CCOCC1 ZINC000095420728 185360563 /nfs/dbraw/zinc/36/05/63/185360563.db2.gz NSSMWYPJMGBSEG-GFCCVEGCSA-N 1 0 312.251 3.539 50 0 DHAARO C[C@H]1C[C@@H]([NH2+]CCCc2cnn(C)c2)c2ccccc2S1 ZINC000095421669 185360968 /nfs/dbraw/zinc/36/09/68/185360968.db2.gz GENVDDMUZVGLPL-XJKSGUPXSA-N 1 0 301.459 3.568 50 0 DHAARO Cc1ncccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000097032588 185399322 /nfs/dbraw/zinc/39/93/22/185399322.db2.gz FFQPJZBUPVSNPV-INIZCTEOSA-N 1 0 306.413 3.646 50 0 DHAARO COc1cccnc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000071661301 191000653 /nfs/dbraw/zinc/00/06/53/191000653.db2.gz AEFXUDKJQPXNPN-MRXNPFEDSA-N 1 0 312.413 3.538 50 0 DHAARO CN1CCC([N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071759871 191026293 /nfs/dbraw/zinc/02/62/93/191026293.db2.gz JVKARXORRLXDAK-KRWDZBQOSA-N 1 0 304.453 3.565 50 0 DHAARO COc1cccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071747647 191020462 /nfs/dbraw/zinc/02/04/62/191020462.db2.gz NXDYTTGRCQMCAY-INIZCTEOSA-N 1 0 312.413 3.538 50 0 DHAARO COc1cccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1 ZINC000071747648 191021044 /nfs/dbraw/zinc/02/10/44/191021044.db2.gz NXDYTTGRCQMCAY-MRXNPFEDSA-N 1 0 312.413 3.538 50 0 DHAARO CC[N@@H+]1CC[C@H](N(C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000071769280 191030408 /nfs/dbraw/zinc/03/04/08/191030408.db2.gz KRDBFLFYOFKQKD-SFHVURJKSA-N 1 0 309.413 3.819 50 0 DHAARO C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000084636411 192448503 /nfs/dbraw/zinc/44/85/03/192448503.db2.gz IAKJJFPXPYMQQS-LLVKDONJSA-N 1 0 309.335 3.779 50 0 DHAARO COc1ccc(C[NH+]2CC(c3ccncc3)C2)c2ccccc12 ZINC000072145847 191052705 /nfs/dbraw/zinc/05/27/05/191052705.db2.gz XEGWPBDLCKJMQE-UHFFFAOYSA-N 1 0 304.393 3.843 50 0 DHAARO c1ccc(-c2cccc(C[NH+]3CC(c4ccccn4)C3)c2)nc1 ZINC000072150308 191055881 /nfs/dbraw/zinc/05/58/81/191055881.db2.gz QAYRFWZJTISENK-UHFFFAOYSA-N 1 0 301.393 3.743 50 0 DHAARO c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)cc2)cn1 ZINC000072154499 191060038 /nfs/dbraw/zinc/06/00/38/191060038.db2.gz ZARGOOIBKLBSON-IBGZPJMESA-N 1 0 304.397 3.604 50 0 DHAARO COc1ccc(-n2ccnc2-c2cccc([C@@H](C)[NH+](C)C)c2)cn1 ZINC000072167008 191067334 /nfs/dbraw/zinc/06/73/34/191067334.db2.gz SQUKRZAWLLLZLU-CQSZACIVSA-N 1 0 322.412 3.566 50 0 DHAARO C[C@@H](CC[NH+]1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 ZINC000225584687 186280449 /nfs/dbraw/zinc/28/04/49/186280449.db2.gz ZTLYKZYTKZAMLB-ROUUACIJSA-N 1 0 317.473 3.698 50 0 DHAARO C[C@@H](CC[NH+]1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000225584723 186280550 /nfs/dbraw/zinc/28/05/50/186280550.db2.gz ZTLYKZYTKZAMLB-ZWKOTPCHSA-N 1 0 317.473 3.698 50 0 DHAARO CCCOc1cccc(C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000253377705 186302580 /nfs/dbraw/zinc/30/25/80/186302580.db2.gz XXDOKDGYIKZIKQ-UHFFFAOYSA-N 1 0 309.413 3.684 50 0 DHAARO Cc1cc(C)[n+](-c2ccccc2)c2cc(-c3ccccc3)nn21 ZINC000000124373 180700476 /nfs/dbraw/zinc/70/04/76/180700476.db2.gz GDRQGQBFXPPRRH-UHFFFAOYSA-N 1 0 300.385 3.895 50 0 DHAARO c1cnn(-c2cccc(C[NH+]3CCC(c4ccncc4)CC3)c2)c1 ZINC000072476742 191178391 /nfs/dbraw/zinc/17/83/91/191178391.db2.gz MRIFSZCZTIOIPN-UHFFFAOYSA-N 1 0 318.424 3.647 50 0 DHAARO Cc1cc(C)nc(N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072478106 191179165 /nfs/dbraw/zinc/17/91/65/191179165.db2.gz HLEZDSUPURBVTL-IBGZPJMESA-N 1 0 324.472 3.603 50 0 DHAARO C[C@H](O)C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000072714011 191220734 /nfs/dbraw/zinc/22/07/34/191220734.db2.gz FCVGEBBPOYXONE-VIFPVBQESA-N 1 0 300.185 3.724 50 0 DHAARO CCc1ccc([C@@]2(O)C[n+]3ccccc3N2c2ccccc2)cc1 ZINC000000390334 180775023 /nfs/dbraw/zinc/77/50/23/180775023.db2.gz WIQXBUDTSZZSQG-NRFANRHFSA-N 1 0 317.412 3.534 50 0 DHAARO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000002686916 180946868 /nfs/dbraw/zinc/94/68/68/180946868.db2.gz MEFYHBGGTGOIRY-KSSFIOAISA-N 1 0 319.832 3.568 50 0 DHAARO CC[C@H](C)[NH2+]CCOCCOc1cc(Cl)ccc1Cl ZINC000002824123 180961712 /nfs/dbraw/zinc/96/17/12/180961712.db2.gz FTQSZCYIXZUKBK-NSHDSACASA-N 1 0 306.233 3.777 50 0 DHAARO C[C@H]([NH2+]C1CC1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003427109 181018059 /nfs/dbraw/zinc/01/80/59/181018059.db2.gz VNWVKPZBFUQNQR-LURJTMIESA-N 1 0 307.608 3.726 50 0 DHAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000003893511 181053864 /nfs/dbraw/zinc/05/38/64/181053864.db2.gz BCFVDPZYAPIOHZ-RDJZCZTQSA-N 1 0 305.462 3.598 50 0 DHAARO CC[C@H](C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000004028066 181064599 /nfs/dbraw/zinc/06/45/99/181064599.db2.gz CVYSRSDCXNYQOA-GBESFXJTSA-N 1 0 315.457 3.988 50 0 biogenic DHAARO CC(=O)Oc1ccccc1/C=C/c1ccc2ccccc2[n+]1C ZINC000004183876 181082538 /nfs/dbraw/zinc/08/25/38/181082538.db2.gz YKFRQCIUMCEUJX-WYMLVPIESA-N 1 0 304.369 3.760 50 0 DHAARO CC[NH+](CC)CCCOc1nc(C)nc2c3ccccc3oc21 ZINC000004283282 181092713 /nfs/dbraw/zinc/09/27/13/181092713.db2.gz WKLBBOKKIDNPHL-UHFFFAOYSA-N 1 0 313.401 3.795 50 0 DHAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004679600 181135715 /nfs/dbraw/zinc/13/57/15/181135715.db2.gz PXASOINTGXPZOJ-UHFFFAOYSA-N 1 0 322.880 3.811 50 0 DHAARO CCCCN(C)C(=O)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000004690960 181136897 /nfs/dbraw/zinc/13/68/97/181136897.db2.gz IWIMDZATQLJJPZ-KRWDZBQOSA-N 1 0 316.489 3.761 50 0 DHAARO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000004746172 181146878 /nfs/dbraw/zinc/14/68/78/181146878.db2.gz PAPGUHQDPFIYQU-INIZCTEOSA-N 1 0 320.864 3.565 50 0 DHAARO COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCC(C)CC1 ZINC000004869295 181166546 /nfs/dbraw/zinc/16/65/46/181166546.db2.gz BSWOPQCWOHEUNZ-UHFFFAOYSA-N 1 0 319.445 3.789 50 0 DHAARO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000073553335 191326831 /nfs/dbraw/zinc/32/68/31/191326831.db2.gz LNPLWMHRKHEDTH-FQEVSTJZSA-N 1 0 322.452 3.596 50 0 DHAARO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000073652498 191337224 /nfs/dbraw/zinc/33/72/24/191337224.db2.gz UDCUFWXNFAVXPZ-INIZCTEOSA-N 1 0 304.434 3.518 50 0 DHAARO Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000005027178 181192269 /nfs/dbraw/zinc/19/22/69/181192269.db2.gz HJWSXRVLIXWFPV-UHFFFAOYSA-N 1 0 308.853 3.687 50 0 DHAARO COc1ccc2[nH]c(C)c(C(=O)C[N@H+](C)C3CCCCC3)c2c1 ZINC000005093010 181202905 /nfs/dbraw/zinc/20/29/05/181202905.db2.gz ZDGXQPBZOMLXBM-UHFFFAOYSA-N 1 0 314.429 3.932 50 0 DHAARO CC[NH+](CC)CCNc1ncnc2c3cc(Cl)ccc3oc21 ZINC000005277809 181225728 /nfs/dbraw/zinc/22/57/28/181225728.db2.gz ARXCDPVNASYWFU-UHFFFAOYSA-N 1 0 318.808 3.783 50 0 DHAARO CC(C)[NH+](C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)C(C)C ZINC000005442044 181243777 /nfs/dbraw/zinc/24/37/77/181243777.db2.gz YGXKWCVOKQHWRC-NRFBVMONSA-N 1 0 323.521 3.699 50 0 DHAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000005613215 181263538 /nfs/dbraw/zinc/26/35/38/181263538.db2.gz OUWLRPBCDXCDNQ-LZWOXQAQSA-N 1 0 311.853 3.651 50 0 DHAARO Cc1ccc(NC(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000005730516 181277564 /nfs/dbraw/zinc/27/75/64/181277564.db2.gz YCRSHLANMADACD-WBVHZDCISA-N 1 0 302.418 3.808 50 0 DHAARO COc1cccc(O[C@@H](C)CNC(=[NH2+])Cc2cccc(C)c2)c1 ZINC000005782247 181283749 /nfs/dbraw/zinc/28/37/49/181283749.db2.gz JRYTUFKIORWTNI-HNNXBMFYSA-N 1 0 312.413 3.580 50 0 in-man DHAARO CCOC(=O)c1oc2c(cccc2C)c1C[NH+]1CCCCC1 ZINC000005857873 181290458 /nfs/dbraw/zinc/29/04/58/181290458.db2.gz YSBVQRXVGIMEMH-UHFFFAOYSA-N 1 0 301.386 3.904 50 0 DHAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237377646 202248605 /nfs/dbraw/zinc/24/86/05/202248605.db2.gz VZDBZZIDDKUOBW-NEPJUHHUSA-N 1 0 320.820 3.594 50 0 DHAARO Cc1cc(C[NH2+]C[C@@H]2CCCOC2)ccc1Oc1cccnc1 ZINC000237630464 202310611 /nfs/dbraw/zinc/31/06/11/202310611.db2.gz WCFNEMBBHFYDTK-KRWDZBQOSA-N 1 0 312.413 3.699 50 0 DHAARO C[N@@H+]1CCCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000006054023 181308496 /nfs/dbraw/zinc/30/84/96/181308496.db2.gz MFDCRHJQWPESKR-UHFFFAOYSA-N 1 0 324.453 3.500 50 0 DHAARO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000006084657 181311566 /nfs/dbraw/zinc/31/15/66/181311566.db2.gz CCLCMJZLHXXYKB-UHFFFAOYSA-N 1 0 314.351 3.908 50 0 DHAARO O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCCCCCC1 ZINC000006583806 181356933 /nfs/dbraw/zinc/35/69/33/181356933.db2.gz RDVNDTFDPTYHQY-QUCCMNQESA-N 1 0 317.473 3.708 50 0 DHAARO O[C@]12CCCC[C@H]1[C@@H](c1cccc(Cl)c1Cl)[NH2+]CC2 ZINC000006658426 181366679 /nfs/dbraw/zinc/36/66/79/181366679.db2.gz VIWGFBVZEDAVEE-GLQYFDAESA-N 1 0 300.229 3.949 50 0 DHAARO O=C(C[NH+]1CCCCCC1)Nc1ccccc1C(F)(F)F ZINC000006704305 181375446 /nfs/dbraw/zinc/37/54/46/181375446.db2.gz PDDYVVQTQXBTEE-UHFFFAOYSA-N 1 0 300.324 3.520 50 0 DHAARO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000091361801 193046774 /nfs/dbraw/zinc/04/67/74/193046774.db2.gz LECMSITUHGZUDO-LJQANCHMSA-N 1 0 316.445 3.662 50 0 DHAARO OCc1cccc(C[C@@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000091664594 193086560 /nfs/dbraw/zinc/08/65/60/193086560.db2.gz YDQRIRJDFKXOIX-SFHVURJKSA-N 1 0 320.436 3.725 50 0 DHAARO CC(C)c1ccccc1NC(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000092036938 193144861 /nfs/dbraw/zinc/14/48/61/193144861.db2.gz VYRNYDNBGHMJQF-FUHWJXTLSA-N 1 0 317.477 3.860 50 0 DHAARO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000221899708 201597254 /nfs/dbraw/zinc/59/72/54/201597254.db2.gz QTNIENXVWLGHLX-NUEKZKHPSA-N 1 0 320.502 3.840 50 0 DHAARO C[C@@H](c1cccc(-c2ccc(N3CCOCC3)cc2)c1)[NH+](C)C ZINC000096152898 193554195 /nfs/dbraw/zinc/55/41/95/193554195.db2.gz GBDGVHOWXBCIDR-INIZCTEOSA-N 1 0 310.441 3.813 50 0 DHAARO CCC(C)(C)OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008844687 181587564 /nfs/dbraw/zinc/58/75/64/181587564.db2.gz IXYUNDAZYDSULU-IBGZPJMESA-N 1 0 319.489 3.507 50 0 DHAARO CC(C)[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 ZINC000015550252 182006015 /nfs/dbraw/zinc/00/60/15/182006015.db2.gz DWWAMDAYFHIACP-VQTJNVASSA-N 1 0 322.452 3.993 50 0 DHAARO CCC[NH+]1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000016604934 182052369 /nfs/dbraw/zinc/05/23/69/182052369.db2.gz FDEJGTUKIDLAJJ-UHFFFAOYSA-N 1 0 318.505 3.584 50 0 DHAARO CCC[NH+]1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000016603960 182052689 /nfs/dbraw/zinc/05/26/89/182052689.db2.gz WINHXFYUHPWFNF-UHFFFAOYSA-N 1 0 302.443 3.506 50 0 DHAARO c1ccc2c(c1)cccc2C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019365693 182118975 /nfs/dbraw/zinc/11/89/75/182118975.db2.gz QGYFZZMPTKVOPV-UHFFFAOYSA-N 1 0 317.436 3.553 50 0 DHAARO Fc1ccccc1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000019842422 182155889 /nfs/dbraw/zinc/15/58/89/182155889.db2.gz CZEZXZRNBONEFN-UHFFFAOYSA-N 1 0 312.432 3.576 50 0 DHAARO CCc1ccc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019842389 182155922 /nfs/dbraw/zinc/15/59/22/182155922.db2.gz YQPHRNDPMZKEPU-PXNSSMCTSA-N 1 0 300.490 3.945 50 0 DHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3cccc(C)n3)c2c1 ZINC000019798234 182150650 /nfs/dbraw/zinc/15/06/50/182150650.db2.gz PZWYJNKDDKOGBV-UHFFFAOYSA-N 1 0 309.413 3.521 50 0 DHAARO CCOc1c(C[NH2+]CCc2ccccc2F)cccc1OC ZINC000019871763 182159373 /nfs/dbraw/zinc/15/93/73/182159373.db2.gz OIJQKIRMNNLXKQ-UHFFFAOYSA-N 1 0 303.377 3.565 50 0 DHAARO Fc1cccc(CN2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000019877307 182159994 /nfs/dbraw/zinc/15/99/94/182159994.db2.gz BFNLXKUMFCFPFW-UHFFFAOYSA-N 1 0 312.432 3.576 50 0 DHAARO COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000020010337 182177238 /nfs/dbraw/zinc/17/72/38/182177238.db2.gz NYOFLAMHIMULAO-KRWDZBQOSA-N 1 0 303.789 3.592 50 0 DHAARO C[C@H]1CCC[N@@H+]([C@@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000020108422 182187923 /nfs/dbraw/zinc/18/79/23/182187923.db2.gz ICHHZXDFTNZSLP-QFBILLFUSA-N 1 0 314.473 3.909 50 0 DHAARO C[C@@H]1C[NH+](CCCOc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000020166787 182193913 /nfs/dbraw/zinc/19/39/13/182193913.db2.gz OXVPDCJLDRLJJL-HZPDHXFCSA-N 1 0 305.462 3.862 50 0 DHAARO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCc2cccs2)n(C)n1 ZINC000020206884 182197343 /nfs/dbraw/zinc/19/73/43/182197343.db2.gz GTPBBPFYVXVLLW-OAHLLOKOSA-N 1 0 303.475 3.777 50 0 DHAARO Cc1cc(C[N@@H+]2CCCC[C@H]2CCc2cccs2)n(C)n1 ZINC000020206888 182197861 /nfs/dbraw/zinc/19/78/61/182197861.db2.gz GTPBBPFYVXVLLW-HNNXBMFYSA-N 1 0 303.475 3.777 50 0 DHAARO CC[C@H](C)c1ccccc1OCCCN1CC[NH+](CC)CC1 ZINC000020390448 182213574 /nfs/dbraw/zinc/21/35/74/182213574.db2.gz WGLDNGJKCLVIFW-KRWDZBQOSA-N 1 0 304.478 3.607 50 0 DHAARO CCc1cc(OCCCC[NH+]2CCN(CC)CC2)ccc1Cl ZINC000020406321 182214694 /nfs/dbraw/zinc/21/46/94/182214694.db2.gz FIXBMCBLHZWPMJ-UHFFFAOYSA-N 1 0 324.896 3.699 50 0 DHAARO Cc1ccccc1OCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020499986 182225296 /nfs/dbraw/zinc/22/52/96/182225296.db2.gz GCPDWRMITSTZNW-UHFFFAOYSA-N 1 0 324.468 3.582 50 0 DHAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2csc3c2CCCC3)C1 ZINC000020536605 182227982 /nfs/dbraw/zinc/22/79/82/182227982.db2.gz YWZVDZLQRJMSBO-LJQANCHMSA-N 1 0 313.466 3.720 50 0 DHAARO Cc1cccnc1-c1cccc(-c2ccn(CCC[NH+](C)C)n2)c1 ZINC000020538542 182228797 /nfs/dbraw/zinc/22/87/97/182228797.db2.gz TZNABNBVBJHGKP-UHFFFAOYSA-N 1 0 320.440 3.872 50 0 DHAARO O=C(c1ccccc1)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021170715 182268357 /nfs/dbraw/zinc/26/83/57/182268357.db2.gz ROOLRGBHJLLKAE-IBGZPJMESA-N 1 0 314.473 3.947 50 0 DHAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000021175363 182268505 /nfs/dbraw/zinc/26/85/05/182268505.db2.gz GJHBPYFLHLNCQU-ZDUSSCGKSA-N 1 0 321.852 3.726 50 0 DHAARO Cc1ccc(C)c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000021200560 182268993 /nfs/dbraw/zinc/26/89/93/182268993.db2.gz VKLWWBHNUHPMDN-UHFFFAOYSA-N 1 0 302.462 3.688 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1OC ZINC000021720628 182286039 /nfs/dbraw/zinc/28/60/39/182286039.db2.gz PUNCOYLVPBATNF-OAHLLOKOSA-N 1 0 316.401 3.646 50 0 DHAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000021881786 182295918 /nfs/dbraw/zinc/29/59/18/182295918.db2.gz FDLULFGKRGYJCT-UHFFFAOYSA-N 1 0 324.399 3.905 50 0 DHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000021720976 182286708 /nfs/dbraw/zinc/28/67/08/182286708.db2.gz SJRCMALRLNXXJF-INIZCTEOSA-N 1 0 300.402 3.891 50 0 DHAARO CCN(CC[NH+](CC)CC)Cc1ccccc1C(F)(F)F ZINC000022027664 182304814 /nfs/dbraw/zinc/30/48/14/182304814.db2.gz BXJDZYHFMHNNAH-UHFFFAOYSA-N 1 0 302.384 3.869 50 0 DHAARO FC(F)(F)c1ccccc1[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000022127255 182309994 /nfs/dbraw/zinc/30/99/94/182309994.db2.gz WTLBWHFURSVCGL-KRWDZBQOSA-N 1 0 320.358 3.700 50 0 DHAARO CCCCN(C)c1nc(SC)ncc1C[NH2+]CC(CC)CC ZINC000022315469 182316963 /nfs/dbraw/zinc/31/69/63/182316963.db2.gz WUWFCQCIVPWUKW-UHFFFAOYSA-N 1 0 324.538 3.961 50 0 DHAARO CC[NH+]1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000022455174 182322146 /nfs/dbraw/zinc/32/21/46/182322146.db2.gz BOWNOXGOZMNBOO-UHFFFAOYSA-N 1 0 304.821 3.738 50 0 DHAARO OC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000023279904 182355792 /nfs/dbraw/zinc/35/57/92/182355792.db2.gz CHKSXRXEXLKVCV-CYBMUJFWSA-N 1 0 305.805 3.804 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Cl)c1)c1cccs1 ZINC000023105514 182347551 /nfs/dbraw/zinc/34/75/51/182347551.db2.gz IJENMLOGUNJOJA-ZDUSSCGKSA-N 1 0 323.849 3.826 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1cccs1 ZINC000023105587 182347729 /nfs/dbraw/zinc/34/77/29/182347729.db2.gz AYBYRDRQKHPDPC-QGZVFWFLSA-N 1 0 324.449 3.934 50 0 DHAARO CC(C)[C@H](CNC(=O)Nc1ccccc1)[NH+]1CCCCCC1 ZINC000024989868 182397861 /nfs/dbraw/zinc/39/78/61/182397861.db2.gz JPJCQRSLVWIDOE-KRWDZBQOSA-N 1 0 303.450 3.709 50 0 DHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)c1)c1ccccc1 ZINC000028291875 182519017 /nfs/dbraw/zinc/51/90/17/182519017.db2.gz DNIHMFUCJATLTQ-IBGZPJMESA-N 1 0 310.441 3.808 50 0 DHAARO O=C(Cc1cccc(F)c1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000040086936 183031719 /nfs/dbraw/zinc/03/17/19/183031719.db2.gz SMVKOWYDMAESRS-UHFFFAOYSA-N 1 0 312.388 3.603 50 0 DHAARO C[C@@H](CNC(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000040095587 183034180 /nfs/dbraw/zinc/03/41/80/183034180.db2.gz NUMRBBIMQWTPNK-STQMWFEESA-N 1 0 309.841 3.582 50 0 DHAARO C[N@H+](C[C@@H](O)c1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000040105815 183035726 /nfs/dbraw/zinc/03/57/26/183035726.db2.gz FJEXHQGYPHSXAD-QZTJIDSGSA-N 1 0 301.817 3.993 50 0 DHAARO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000040448875 183068516 /nfs/dbraw/zinc/06/85/16/183068516.db2.gz MTPQMAJDIOUCHT-UHFFFAOYSA-N 1 0 316.445 3.520 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000042207314 183242355 /nfs/dbraw/zinc/24/23/55/183242355.db2.gz DFXSKRGTDMCXEU-UKRRQHHQSA-N 1 0 314.351 3.856 50 0 DHAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCOc3ccccc32)o1 ZINC000042952324 183321012 /nfs/dbraw/zinc/32/10/12/183321012.db2.gz YSASKFYNBMHVIS-OAHLLOKOSA-N 1 0 309.369 3.592 50 0 DHAARO CC(C)(C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770570 183306933 /nfs/dbraw/zinc/30/69/33/183306933.db2.gz GAPQZJYXEAAHKJ-NSHDSACASA-N 1 0 312.251 3.735 50 0 DHAARO CCc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770576 183307145 /nfs/dbraw/zinc/30/71/45/183307145.db2.gz MUPNJFXNANJFDI-ZDUSSCGKSA-N 1 0 312.251 3.780 50 0 DHAARO CC(C)(C)c1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000042774771 183307684 /nfs/dbraw/zinc/30/76/84/183307684.db2.gz GFZBWPFDZCLATP-UHFFFAOYSA-N 1 0 312.251 3.877 50 0 DHAARO CC(C)c1ccc(/C=C/C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000044215885 183398577 /nfs/dbraw/zinc/39/85/77/183398577.db2.gz ZHHKBFCVAWNZEU-BJMVGYQFSA-N 1 0 312.457 3.566 50 0 DHAARO C[C@H]([NH2+]Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000057303444 184032697 /nfs/dbraw/zinc/03/26/97/184032697.db2.gz IGDZQGSTRHSCND-HNNXBMFYSA-N 1 0 304.393 3.957 50 0 DHAARO CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000058086872 184073805 /nfs/dbraw/zinc/07/38/05/184073805.db2.gz IZNOMXSITZRZIS-ROUUACIJSA-N 1 0 314.473 3.603 50 0 DHAARO Cc1ccc([C@H](C(=O)NC2CCCC2)[NH+]2CCCCC2)cc1 ZINC000058012571 184066864 /nfs/dbraw/zinc/06/68/64/184066864.db2.gz XNDFYCSPAVCKML-GOSISDBHSA-N 1 0 300.446 3.581 50 0 DHAARO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCCc1ccccc1 ZINC000058315504 184104597 /nfs/dbraw/zinc/10/45/97/184104597.db2.gz PGAOGWFXVSSTEY-OAHLLOKOSA-N 1 0 321.424 3.549 50 0 DHAARO CCc1ccsc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000060155627 184145069 /nfs/dbraw/zinc/14/50/69/184145069.db2.gz GVICYAKFXXGISP-INIZCTEOSA-N 1 0 316.470 3.652 50 0 DHAARO Cc1ccccc1-c1noc(C[NH2+][C@@H](C)Cc2cccs2)n1 ZINC000065421422 184341932 /nfs/dbraw/zinc/34/19/32/184341932.db2.gz CUFBPNONKZGKGK-ZDUSSCGKSA-N 1 0 313.426 3.827 50 0 DHAARO c1cnn(Cc2cccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)c2)c1 ZINC000065454861 184347537 /nfs/dbraw/zinc/34/75/37/184347537.db2.gz FHNJNFBZLOMIJR-HXUWFJFHSA-N 1 0 318.424 3.664 50 0 DHAARO Cc1cc(C)c(C(N)=O)c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n1 ZINC000065396908 184335696 /nfs/dbraw/zinc/33/56/96/184335696.db2.gz JZQDNYWPLZECDH-OAHLLOKOSA-N 1 0 323.440 3.621 50 0 DHAARO C[C@H](c1cccc(-c2ncc(F)c(N(C)C)n2)c1)[NH+]1CCCC1 ZINC000065528267 184360437 /nfs/dbraw/zinc/36/04/37/184360437.db2.gz HFGZNGBORVXNQR-CYBMUJFWSA-N 1 0 314.408 3.506 50 0 DHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000399064594 257235058 /nfs/dbraw/zinc/23/50/58/257235058.db2.gz PZKGNODEBBBYMR-MFKMUULPSA-N 1 0 315.244 3.880 50 0 DHAARO CCCNC(=O)c1cccnc1-c1ccc([C@@H](C)[NH+](C)C)cc1 ZINC000426478725 257249461 /nfs/dbraw/zinc/24/94/61/257249461.db2.gz JTGFHCUHUVIDFD-CQSZACIVSA-N 1 0 311.429 3.511 50 0 DHAARO Cc1nc2ccc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)cn2n1 ZINC000426382934 257252629 /nfs/dbraw/zinc/25/26/29/257252629.db2.gz PNKDIBUFHSZSRX-AWEZNQCLSA-N 1 0 306.413 3.862 50 0 DHAARO C[C@H](c1ccc(-c2nc(N(C)C)ns2)cc1)[NH+]1CCCCC1 ZINC000426372502 257253172 /nfs/dbraw/zinc/25/31/72/257253172.db2.gz SBKPFRVFEPBKRQ-CYBMUJFWSA-N 1 0 316.474 3.818 50 0 DHAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000252476802 257258917 /nfs/dbraw/zinc/25/89/17/257258917.db2.gz BWGRJYMAQGUNDJ-XBEYBXDOSA-N 1 0 311.516 3.795 50 0 DHAARO CCC[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000069703813 184838921 /nfs/dbraw/zinc/83/89/21/184838921.db2.gz IUXLYECLRJBZAW-CABCVRRESA-N 1 0 308.491 3.513 50 0 DHAARO CN(C)c1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000121870176 195365785 /nfs/dbraw/zinc/36/57/85/195365785.db2.gz NJCZUJUWWFPZET-UHFFFAOYSA-N 1 0 311.404 3.576 50 0 DHAARO Clc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)s1 ZINC000298438360 132063004 /nfs/dbraw/zinc/06/30/04/132063004.db2.gz ZDKBTIIXYAWZAV-UHFFFAOYSA-N 1 0 307.850 3.687 50 0 DHAARO c1ccc([C@H]2Sc3cccc[n+]3O[C@H]2c2ccccc2)cc1 ZINC000001264346 331465794 /nfs/dbraw/zinc/46/57/94/331465794.db2.gz RRRKGNGJOTYDIV-RBUKOAKNSA-N 1 0 306.410 3.991 50 0 DHAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007447566 331502681 /nfs/dbraw/zinc/50/26/81/331502681.db2.gz NLINSJUUZKEQER-UHFFFAOYSA-N 1 0 322.452 3.911 50 0 DHAARO O=C(CC1CCCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584371 331676446 /nfs/dbraw/zinc/67/64/46/331676446.db2.gz LGRBLMSNTZXHSR-UHFFFAOYSA-N 1 0 320.502 3.657 50 0 DHAARO CCc1ccc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)o1 ZINC000097165662 332193701 /nfs/dbraw/zinc/19/37/01/332193701.db2.gz UBSLYNFPEAVKSW-UHFFFAOYSA-N 1 0 301.386 3.721 50 0 DHAARO Nc1cccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000195186325 335101753 /nfs/dbraw/zinc/10/17/53/335101753.db2.gz UNCRXBQTPREXNZ-UHFFFAOYSA-N 1 0 309.413 3.507 50 0 DHAARO FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCC23CCCC3)cn1 ZINC000189064436 333062687 /nfs/dbraw/zinc/06/26/87/333062687.db2.gz COXZLTSSLWJBEY-CYBMUJFWSA-N 1 0 314.351 3.835 50 0 DHAARO CCc1ccc(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)cn1 ZINC000348386395 335587149 /nfs/dbraw/zinc/58/71/49/335587149.db2.gz MJDCKUNZEALFSU-UHFFFAOYSA-N 1 0 324.468 3.522 50 0 DHAARO CCNC(=O)c1ccc(C[NH2+]C/C(C)=C/c2ccccc2)cc1 ZINC000102422459 336287201 /nfs/dbraw/zinc/28/72/01/336287201.db2.gz YALJLKOMEGOKKH-DTQAZKPQSA-N 1 0 308.425 3.629 50 0 DHAARO CC(=O)Nc1ccc(CC[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000192819021 519716007 /nfs/dbraw/zinc/71/60/07/519716007.db2.gz KJWKZBWFMXECSF-FQEVSTJZSA-N 1 0 323.440 3.724 50 0 DHAARO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124653053 522599935 /nfs/dbraw/zinc/59/99/35/522599935.db2.gz FTRUTFPPIURCCY-SFHVURJKSA-N 1 0 320.440 3.831 50 0 DHAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000009997209 563909181 /nfs/dbraw/zinc/90/91/81/563909181.db2.gz VPOMNMXMMBPQAE-GHMZBOCLSA-N 1 0 315.244 3.910 50 0 DHAARO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1 ZINC000095969020 563933444 /nfs/dbraw/zinc/93/34/44/563933444.db2.gz QKFLPTYSNMBLRL-DHYLWCPWSA-N 1 0 313.532 3.739 50 0 DHAARO C[NH+]1CCN(c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000000135717 563222272 /nfs/dbraw/zinc/22/22/72/563222272.db2.gz JZDZWTQFXWJFLK-UHFFFAOYSA-N 1 0 303.409 3.654 50 0 DHAARO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000300517 563237920 /nfs/dbraw/zinc/23/79/20/563237920.db2.gz DQJODXFZFLJESH-KRWDZBQOSA-N 1 0 322.452 3.910 50 0 DHAARO O=C(NC1CCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000000455472 563257856 /nfs/dbraw/zinc/25/78/56/563257856.db2.gz DKGAXVJVGNEGLS-UHFFFAOYSA-N 1 0 320.864 3.611 50 0 DHAARO C[C@@H](Cc1ccccc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000000757199 563271977 /nfs/dbraw/zinc/27/19/77/563271977.db2.gz DGVULUJDWLMVOL-INIZCTEOSA-N 1 0 304.453 3.707 50 0 DHAARO C[N@H+](CCc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000001229457 563280161 /nfs/dbraw/zinc/28/01/61/563280161.db2.gz PUNCBWXUZOUGTO-UHFFFAOYSA-N 1 0 308.469 3.826 50 0 DHAARO CC[NH+]1CCN(Cc2cncc(-c3cc(C)cc(C)c3)c2)CC1 ZINC000034669479 563311291 /nfs/dbraw/zinc/31/12/91/563311291.db2.gz HHLRSVLFAOUDJG-UHFFFAOYSA-N 1 0 309.457 3.503 50 0 DHAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000002828248 563314362 /nfs/dbraw/zinc/31/43/62/563314362.db2.gz OGBRPHXDDFDNKN-KRWDZBQOSA-N 1 0 322.452 3.776 50 0 DHAARO CCC[NH+](CCC)C[C@@H](O)COc1cccc2ccccc21 ZINC000002988838 563319992 /nfs/dbraw/zinc/31/99/92/563319992.db2.gz FHKKLVGOJFXBCC-QGZVFWFLSA-N 1 0 301.430 3.702 50 0 DHAARO Cc1cc(C)cc(C[C@@](O)(c2ccccc2)[C@H](C)C[NH+](C)C)c1 ZINC000003200658 563323269 /nfs/dbraw/zinc/32/32/69/563323269.db2.gz LUNIEBFSQFLIRQ-NQIIRXRSSA-N 1 0 311.469 3.931 50 0 DHAARO Cc1cccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000004685192 563327385 /nfs/dbraw/zinc/32/73/85/563327385.db2.gz DXFDAERFLDNVLD-UHFFFAOYSA-N 1 0 305.491 3.591 50 0 DHAARO Cc1cccc(CN2CCC([NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000002734820 563340728 /nfs/dbraw/zinc/34/07/28/563340728.db2.gz IKWJPDFXHXSQPP-QZTJIDSGSA-N 1 0 300.490 3.937 50 0 DHAARO C[NH+](C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 ZINC000008099545 563344862 /nfs/dbraw/zinc/34/48/62/563344862.db2.gz OYPPVKRFBIWMSX-SXGWCWSVSA-N 1 0 317.230 3.837 50 0 world DHAARO Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010328308 563355799 /nfs/dbraw/zinc/35/57/99/563355799.db2.gz ADPRZJNMPUJJTA-UHFFFAOYSA-N 1 0 308.425 3.521 50 0 DHAARO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010448286 563356939 /nfs/dbraw/zinc/35/69/39/563356939.db2.gz XHTFZJMWNZCYHM-UHFFFAOYSA-N 1 0 308.425 3.521 50 0 DHAARO CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)c(C)c1)C[C@@H]1CCCO1 ZINC000011819799 563360100 /nfs/dbraw/zinc/36/01/00/563360100.db2.gz UUBIODINCSCANT-SFHVURJKSA-N 1 0 313.445 3.694 50 0 DHAARO Cc1c(C)n(Cc2ccccn2)c2[nH+]c3c(c(N)c12)CCCCC3 ZINC000012324182 563366118 /nfs/dbraw/zinc/36/61/18/563366118.db2.gz XZFJPBLNPQASDV-UHFFFAOYSA-N 1 0 320.440 3.948 50 0 DHAARO COc1ccc(CC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012439114 563370029 /nfs/dbraw/zinc/37/00/29/563370029.db2.gz CSGAXWOOCSGOBO-SFHVURJKSA-N 1 0 310.441 3.935 50 0 DHAARO COCC[N@H+](Cc1nc(-c2cccc(F)c2)oc1C)C(C)C ZINC000012597279 563371394 /nfs/dbraw/zinc/37/13/94/563371394.db2.gz JNALGENJSFNAKT-UHFFFAOYSA-N 1 0 306.381 3.646 50 0 DHAARO Cc1ccccc1[C@@H]1C[C@H]2CN(C3CCCC3)C(=O)[C@]23CCC[N@H+]13 ZINC000012594108 563371640 /nfs/dbraw/zinc/37/16/40/563371640.db2.gz RIWXVXFRZOHDKC-LRQRDZAKSA-N 1 0 324.468 3.675 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000013145738 563379602 /nfs/dbraw/zinc/37/96/02/563379602.db2.gz WNOXUDZNUVFWLM-QWFCFKBJSA-N 1 0 317.473 3.706 50 0 DHAARO c1ccc(CC[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000032819890 563400337 /nfs/dbraw/zinc/40/03/37/563400337.db2.gz OEQZOJJIIHYXDB-UHFFFAOYSA-N 1 0 323.465 3.661 50 0 DHAARO Brc1ccc2cc(O[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000014631791 563402099 /nfs/dbraw/zinc/40/20/99/563402099.db2.gz RKIQNLOKMFZPOF-OAHLLOKOSA-N 1 0 306.203 3.733 50 0 DHAARO CCc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)sc1C ZINC000025420096 563422551 /nfs/dbraw/zinc/42/25/51/563422551.db2.gz QDOFSSPEUQCFDL-INIZCTEOSA-N 1 0 316.470 3.652 50 0 DHAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2nc3ccccc3s2)c1 ZINC000072269833 563428109 /nfs/dbraw/zinc/42/81/09/563428109.db2.gz CKVKDJOPQLRVIX-OLZOCXBDSA-N 1 0 300.431 3.541 50 0 DHAARO CCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662487 563429303 /nfs/dbraw/zinc/42/93/03/563429303.db2.gz WITHJCXUNDLCMN-HNNXBMFYSA-N 1 0 308.491 3.972 50 0 DHAARO Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793168 563429855 /nfs/dbraw/zinc/42/98/55/563429855.db2.gz GHEHQBHESAZOPN-HXUWFJFHSA-N 1 0 322.452 3.870 50 0 DHAARO O=C(NCCCCCCC[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000072273197 563430744 /nfs/dbraw/zinc/43/07/44/563430744.db2.gz JUGANXGHSBTLNI-UHFFFAOYSA-N 1 0 321.440 3.994 50 0 DHAARO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccncc3)C2)no1 ZINC000072277656 563432446 /nfs/dbraw/zinc/43/24/46/563432446.db2.gz DODPYHNGMGGWHD-DZGCQCFKSA-N 1 0 300.406 3.529 50 0 DHAARO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000029482969 563434552 /nfs/dbraw/zinc/43/45/52/563434552.db2.gz UKXXAOVUAKNERU-KRWDZBQOSA-N 1 0 314.816 3.898 50 0 DHAARO c1ccc(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc1 ZINC000029824804 563436164 /nfs/dbraw/zinc/43/61/64/563436164.db2.gz OMWGKTVSDVNEQO-OAHLLOKOSA-N 1 0 307.397 3.645 50 0 DHAARO c1ccc(CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)nc1 ZINC000029824806 563436311 /nfs/dbraw/zinc/43/63/11/563436311.db2.gz OMWGKTVSDVNEQO-HNNXBMFYSA-N 1 0 307.397 3.645 50 0 DHAARO CCCOc1ccc(-c2cn(CC[NH+](CC)CC)cn2)cc1 ZINC000017206104 563449003 /nfs/dbraw/zinc/44/90/03/563449003.db2.gz OKYXDIDCNMZSOD-UHFFFAOYSA-N 1 0 301.434 3.681 50 0 DHAARO Clc1ccc([C@@H](OC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000036451668 563455433 /nfs/dbraw/zinc/45/54/33/563455433.db2.gz OTZYADIPHOGUDN-QGZVFWFLSA-N 1 0 302.805 3.593 50 0 DHAARO CC(=O)O[C@]1([C@@H](C)C[NH+](C)C)CCCC[C@@H]1c1ccccc1 ZINC000038223828 563460139 /nfs/dbraw/zinc/46/01/39/563460139.db2.gz TVQPXLMQOZWEBA-IPELMVKDSA-N 1 0 303.446 3.844 50 0 in-man DHAARO COc1ccc(C[N@H+](Cc2ccc(SC)cc2)C2CC2)cn1 ZINC000055042711 563471189 /nfs/dbraw/zinc/47/11/89/563471189.db2.gz QQOUDZIRYGODFF-UHFFFAOYSA-N 1 0 314.454 3.977 50 0 DHAARO CCC[N@H+](Cc1cccn1-c1nccs1)Cc1cccnc1 ZINC000055165816 563471962 /nfs/dbraw/zinc/47/19/62/563471962.db2.gz LPJQDTFAOMYYQO-UHFFFAOYSA-N 1 0 312.442 3.741 50 0 DHAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1cnc2ccccc2n1 ZINC000055308371 563473830 /nfs/dbraw/zinc/47/38/30/563473830.db2.gz JPNYALMREYTASI-UHFFFAOYSA-N 1 0 321.424 3.587 50 0 DHAARO Cc1cccc(C[NH+]2CCC(n3cc(C4CC4)nn3)CC2)c1C ZINC000055369125 563474398 /nfs/dbraw/zinc/47/43/98/563474398.db2.gz OFMKQCWMQWDNIF-UHFFFAOYSA-N 1 0 310.445 3.609 50 0 DHAARO CCSCC[N@H+](Cc1cnc(COC)nc1)C1CCCCC1 ZINC000055386347 563475746 /nfs/dbraw/zinc/47/57/46/563475746.db2.gz FVMPSRAAJCVTHL-UHFFFAOYSA-N 1 0 323.506 3.511 50 0 DHAARO C[C@H]1C[C@@H]([N@H+](C)CCc2ccncc2)CCN1Cc1ccccc1 ZINC000096414927 563481159 /nfs/dbraw/zinc/48/11/59/563481159.db2.gz ZIVXBPAXOUVBBE-RXVVDRJESA-N 1 0 323.484 3.609 50 0 DHAARO CCn1cc(C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cn1 ZINC000096447563 563483119 /nfs/dbraw/zinc/48/31/19/563483119.db2.gz YWVHRZBLODWUDU-HNNXBMFYSA-N 1 0 306.413 3.816 50 0 DHAARO Cc1nc(CN(C)Cc2cccc(OC(F)(F)F)c2)oc1C ZINC000096470284 563483456 /nfs/dbraw/zinc/48/34/56/563483456.db2.gz PXSFSOZXWAAVSU-UHFFFAOYSA-N 1 0 314.307 3.822 50 0 DHAARO COc1cccc(-c2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000063869601 563484961 /nfs/dbraw/zinc/48/49/61/563484961.db2.gz YSZOMAXDJFJWIS-UHFFFAOYSA-N 1 0 310.441 3.893 50 0 DHAARO CC[C@@H](Nc1cc(C)[nH+]c(N2CCCCC2)n1)c1cccnc1 ZINC000065418787 563486837 /nfs/dbraw/zinc/48/68/37/563486837.db2.gz GRNXOKPMYBBFRL-MRXNPFEDSA-N 1 0 311.433 3.734 50 0 DHAARO CC[C@H](Nc1cc(C)[nH+]c(N2CCCCC2)n1)c1cccnc1 ZINC000065418782 563486961 /nfs/dbraw/zinc/48/69/61/563486961.db2.gz GRNXOKPMYBBFRL-INIZCTEOSA-N 1 0 311.433 3.734 50 0 DHAARO Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000067742160 563490721 /nfs/dbraw/zinc/49/07/21/563490721.db2.gz WTULYTLDLHBBGN-QGZVFWFLSA-N 1 0 322.452 3.734 50 0 DHAARO FC(F)(F)c1cccnc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000097034997 563504315 /nfs/dbraw/zinc/50/43/15/563504315.db2.gz PSEFAMJHVCYWPT-ZFWWWQNUSA-N 1 0 324.350 3.570 50 0 DHAARO C[C@@H](C[N@H+](C)Cc1cc(-c2cccnc2)no1)c1ccccc1 ZINC000077322824 563509154 /nfs/dbraw/zinc/50/91/54/563509154.db2.gz QMMNRMFUYZVPGD-HNNXBMFYSA-N 1 0 307.397 3.972 50 0 DHAARO CCc1nc(C)sc1C[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077343159 563509345 /nfs/dbraw/zinc/50/93/45/563509345.db2.gz BTQMYLRUYQNPIS-HNNXBMFYSA-N 1 0 318.490 3.655 50 0 DHAARO C[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000158013230 563524977 /nfs/dbraw/zinc/52/49/77/563524977.db2.gz OWVVFDKUZXHOPO-QWRGUYRKSA-N 1 0 322.321 3.722 50 0 DHAARO Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccsc2)c1 ZINC000011438403 563527035 /nfs/dbraw/zinc/52/70/35/563527035.db2.gz SYDIXVPWBUUVHO-CQSZACIVSA-N 1 0 302.443 3.824 50 0 DHAARO c1cc(-c2noc(C3CC[NH+](C4CCCCC4)CC3)n2)ccn1 ZINC000096140038 563533921 /nfs/dbraw/zinc/53/39/21/563533921.db2.gz SSYNHXXGXJWEFH-UHFFFAOYSA-N 1 0 312.417 3.644 50 0 DHAARO FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000097600954 563540331 /nfs/dbraw/zinc/54/03/31/563540331.db2.gz KTSCPIDAKUNRMB-AWEZNQCLSA-N 1 0 323.362 3.814 50 0 DHAARO CC(C)(C)c1cc(C[NH+]2CCC3(CNc4ccccc43)CC2)[nH]n1 ZINC000097601103 563540456 /nfs/dbraw/zinc/54/04/56/563540456.db2.gz RVZWLLJKUWNAJC-UHFFFAOYSA-N 1 0 324.472 3.667 50 0 DHAARO Cn1ccnc1C[N@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000097696307 563541607 /nfs/dbraw/zinc/54/16/07/563541607.db2.gz UZPFCCWVSZFBNT-UHFFFAOYSA-N 1 0 305.425 3.684 50 0 DHAARO Cc1ccc(C)c(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)c1 ZINC000000261005 563583769 /nfs/dbraw/zinc/58/37/69/563583769.db2.gz WOJHEVIJRGNWEM-UHFFFAOYSA-N 1 0 319.518 3.805 50 0 DHAARO CC(C)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000000299575 563586544 /nfs/dbraw/zinc/58/65/44/563586544.db2.gz YTDGZYPJTJYPKB-UHFFFAOYSA-N 1 0 322.880 3.714 50 0 DHAARO CC(C)[C@@H]1CN(Cc2ccccc2)[C@@]2(C)c3ccccc3C(=O)N12 ZINC000033704901 563596473 /nfs/dbraw/zinc/59/64/73/563596473.db2.gz VYARWIQLNHRAML-PZJWPPBQSA-N 1 0 320.436 3.856 50 0 DHAARO CC(C)=CCC[C@@H](C)C[N@H+]1CCc2nnc(C(C)C)n2CC1 ZINC000011967779 563603032 /nfs/dbraw/zinc/60/30/32/563603032.db2.gz OOTPWYZBVDWKEW-MRXNPFEDSA-N 1 0 304.482 3.642 50 0 DHAARO Cc1sc2ncnc(NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)c2c1C ZINC000227886702 563606144 /nfs/dbraw/zinc/60/61/44/563606144.db2.gz PDLMYBBSGDMRDG-NEPJUHHUSA-N 1 0 318.490 3.840 50 0 DHAARO COc1ccc(OC)c(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000002903417 563635550 /nfs/dbraw/zinc/63/55/50/563635550.db2.gz DSAQIRIJRRTCRL-UHFFFAOYSA-N 1 0 310.397 3.517 50 0 DHAARO O[C@@H](C[N@H+]1CC=C(c2ccccc2)CC1)c1ccc(F)cc1F ZINC000051112417 563653334 /nfs/dbraw/zinc/65/33/34/563653334.db2.gz HNEFNJOFHKZYNR-IBGZPJMESA-N 1 0 315.363 3.788 50 0 DHAARO COc1ccc2c(C(=O)C[N@H+](C)C3CCCCC3)c[nH]c2c1 ZINC000000542334 563668105 /nfs/dbraw/zinc/66/81/05/563668105.db2.gz YDJJOCDUSSPQRQ-UHFFFAOYSA-N 1 0 300.402 3.624 50 0 DHAARO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cccnc1)c1ccco1 ZINC000108105072 563686704 /nfs/dbraw/zinc/68/67/04/563686704.db2.gz XCEGMYDVNHNARH-DLBZAZTESA-N 1 0 300.402 3.543 50 0 DHAARO Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000044949398 563686972 /nfs/dbraw/zinc/68/69/72/563686972.db2.gz XJVNJUUGCWIADV-UHFFFAOYSA-N 1 0 301.390 3.876 50 0 DHAARO CCOCCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000048226862 563694073 /nfs/dbraw/zinc/69/40/73/563694073.db2.gz OMFSKVKMJHKNNL-MRXNPFEDSA-N 1 0 318.461 3.674 50 0 DHAARO CS[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048226857 563694326 /nfs/dbraw/zinc/69/43/26/563694326.db2.gz HIKANEAPRBBLDM-UONOGXRCSA-N 1 0 306.475 3.609 50 0 DHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)Sc1ccccc1 ZINC000048333591 563696544 /nfs/dbraw/zinc/69/65/44/563696544.db2.gz XEXRANFHEIQQDO-HOTGVXAUSA-N 1 0 322.518 3.794 50 0 DHAARO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n(C)c1 ZINC000215757066 563706899 /nfs/dbraw/zinc/70/68/99/563706899.db2.gz XYWXLVJJMUWZOW-GOSISDBHSA-N 1 0 310.441 3.997 50 0 DHAARO CCn1ccc2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cc21 ZINC000216120294 563707905 /nfs/dbraw/zinc/70/79/05/563707905.db2.gz TVXKKZKNDMCHIV-SFHVURJKSA-N 1 0 320.440 3.831 50 0 DHAARO COc1c(F)cccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000216208534 563708437 /nfs/dbraw/zinc/70/84/37/563708437.db2.gz RVOAAMJSORDWHA-UHFFFAOYSA-N 1 0 300.377 3.609 50 0 DHAARO COc1ccc(-c2c[nH+]c(NCc3ccccc3OC)n2C)cc1 ZINC000000819123 563720995 /nfs/dbraw/zinc/72/09/95/563720995.db2.gz MRDFGVAVYKYYDW-UHFFFAOYSA-N 1 0 323.396 3.716 50 0 DHAARO CCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000222300816 563724616 /nfs/dbraw/zinc/72/46/16/563724616.db2.gz PWGKZFRCSNUVMF-RHSMWYFYSA-N 1 0 316.445 3.603 50 0 DHAARO CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000225443907 563755346 /nfs/dbraw/zinc/75/53/46/563755346.db2.gz BZQKFFNPAXDRNA-INIZCTEOSA-N 1 0 311.429 3.771 50 0 DHAARO COc1c(C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)c(C)nn1C ZINC000058307321 563771094 /nfs/dbraw/zinc/77/10/94/563771094.db2.gz QZJJLMYZSXGJJX-MRXNPFEDSA-N 1 0 319.424 3.753 50 0 DHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000229845370 563772865 /nfs/dbraw/zinc/77/28/65/563772865.db2.gz XERPCEOYYPCOAF-SWLSCSKDSA-N 1 0 309.841 3.534 50 0 DHAARO Cc1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)cs1 ZINC000229837099 563772946 /nfs/dbraw/zinc/77/29/46/563772946.db2.gz DOXMMUZVJAHWGG-IAGOWNOFSA-N 1 0 302.443 3.540 50 0 DHAARO CC(C)[C@@H](c1ccccc1)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000229872971 563773150 /nfs/dbraw/zinc/77/31/50/563773150.db2.gz ZADZANFZYYXYBD-PXNSSMCTSA-N 1 0 316.489 3.569 50 0 DHAARO Cc1nc(C)c(C[NH2+][C@@H]2COc3ccc4ccccc4c3C2)o1 ZINC000685940341 563774347 /nfs/dbraw/zinc/77/43/47/563774347.db2.gz FGJRSPIAPVJJIB-HNNXBMFYSA-N 1 0 308.381 3.538 50 0 DHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000239302625 563775860 /nfs/dbraw/zinc/77/58/60/563775860.db2.gz FMTHLQDBSCILBQ-FVVUREQNSA-N 1 0 311.510 3.557 50 0 DHAARO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897263 563776667 /nfs/dbraw/zinc/77/66/67/563776667.db2.gz IRPLYMXOSLDCKE-FRYIKTPZSA-N 1 0 321.468 3.928 50 0 DHAARO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897262 563776687 /nfs/dbraw/zinc/77/66/87/563776687.db2.gz IRPLYMXOSLDCKE-FFGOWVMKSA-N 1 0 321.468 3.928 50 0 DHAARO Cc1ccccc1OCCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000241287476 563777175 /nfs/dbraw/zinc/77/71/75/563777175.db2.gz LLTVWUSPFKSKQS-PZJWPPBQSA-N 1 0 324.468 3.799 50 0 DHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccccc1)NCc1cccs1 ZINC000244659860 563779269 /nfs/dbraw/zinc/77/92/69/563779269.db2.gz HJZQHPKOIAEOSS-KRWDZBQOSA-N 1 0 314.454 3.592 50 0 DHAARO CCC[NH2+]Cc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000247889218 563782251 /nfs/dbraw/zinc/78/22/51/563782251.db2.gz FHJFAKXJQVSNMM-UHFFFAOYSA-N 1 0 320.440 3.801 50 0 DHAARO CC[C@H](c1ccc(OC)cc1)[N@H+](C)Cc1[nH]cc(C)c(=O)c1C ZINC000253537387 563784609 /nfs/dbraw/zinc/78/46/09/563784609.db2.gz UADMSGVAQHKBLB-GOSISDBHSA-N 1 0 314.429 3.996 50 0 DHAARO [NH3+][C@H]1CCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)C1 ZINC000299757276 563805138 /nfs/dbraw/zinc/80/51/38/563805138.db2.gz JYODFAQINOKMBF-INIZCTEOSA-N 1 0 301.434 3.689 50 0 DHAARO CC[N@H+](C)C1(CNC(=O)Nc2ccccc2C2CC2)CCCC1 ZINC000299796976 563806225 /nfs/dbraw/zinc/80/62/25/563806225.db2.gz OWGUXHWEHFJTNP-UHFFFAOYSA-N 1 0 315.461 3.950 50 0 DHAARO C[NH+]1CCC(NC(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000078394942 563808701 /nfs/dbraw/zinc/80/87/01/563808701.db2.gz CVOLOPJSGCJWIO-UHFFFAOYSA-N 1 0 315.442 3.631 50 0 DHAARO CC(C)[C@H]1CCC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000084456578 563826937 /nfs/dbraw/zinc/82/69/37/563826937.db2.gz SGMASMRYGMZMHL-CYBMUJFWSA-N 1 0 305.447 3.851 50 0 DHAARO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccccn1)c1cccs1 ZINC000084535723 563827470 /nfs/dbraw/zinc/82/74/70/563827470.db2.gz XSLAKBUJIXDNHQ-GOSISDBHSA-N 1 0 324.449 3.879 50 0 DHAARO CC[C@@H](C[NH2+]Cc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000085298533 563835069 /nfs/dbraw/zinc/83/50/69/563835069.db2.gz KUTAHDNOOTYVIX-HRAATJIYSA-N 1 0 301.455 3.707 50 0 DHAARO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000012919768 563854577 /nfs/dbraw/zinc/85/45/77/563854577.db2.gz LFFMARIJFQGEHM-UHFFFAOYSA-N 1 0 322.452 3.829 50 0 DHAARO CO[C@@H](C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000075093171 563859326 /nfs/dbraw/zinc/85/93/26/563859326.db2.gz GXGAQDKYZBPIHG-SFHVURJKSA-N 1 0 307.397 3.554 50 0 DHAARO CC(C)(C)[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(F)cc1 ZINC000053644043 563864842 /nfs/dbraw/zinc/86/48/42/563864842.db2.gz YXEYOGUMGJSKQX-KRWDZBQOSA-N 1 0 314.404 3.802 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000575608603 563865158 /nfs/dbraw/zinc/86/51/58/563865158.db2.gz ORLUAKQPPLQENK-GOEBONIOSA-N 1 0 312.413 3.508 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1nccs1 ZINC000090916573 563877214 /nfs/dbraw/zinc/87/72/14/563877214.db2.gz ZPSIKNYSGPBYPP-NILFDRSVSA-N 1 0 321.877 3.893 50 0 DHAARO CCc1sc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1C ZINC000089280289 563882141 /nfs/dbraw/zinc/88/21/41/563882141.db2.gz PUKZXCPIBXSHPM-UHFFFAOYSA-N 1 0 320.502 3.709 50 0 DHAARO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccsc1 ZINC000089289567 563883906 /nfs/dbraw/zinc/88/39/06/563883906.db2.gz BBYWKWKILHRDLS-ZDUSSCGKSA-N 1 0 302.443 3.817 50 0 DHAARO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104104 563894252 /nfs/dbraw/zinc/89/42/52/563894252.db2.gz GIUZXZLZUNQGAT-KRWDZBQOSA-N 1 0 305.368 3.738 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000169678617 563895130 /nfs/dbraw/zinc/89/51/30/563895130.db2.gz OMLYMEYLHPAWCN-FUHWJXTLSA-N 1 0 307.478 3.772 50 0 DHAARO CCCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000036395703 563898657 /nfs/dbraw/zinc/89/86/57/563898657.db2.gz XYCGMCBKDQUHGV-APWZRJJASA-N 1 0 310.441 3.589 50 0 DHAARO CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036446986 563899708 /nfs/dbraw/zinc/89/97/08/563899708.db2.gz WLKDIYJMYUEKKD-HOTGVXAUSA-N 1 0 316.445 3.536 50 0 DHAARO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1cnc(C)s1 ZINC000170056722 563903381 /nfs/dbraw/zinc/90/33/81/563903381.db2.gz GWNXHFYUZMKKFN-YGRLFVJLSA-N 1 0 304.415 3.635 50 0 DHAARO c1sc(CCC[NH2+][C@@H]2CCCSC2)nc1-c1ccncc1 ZINC000170074696 563903596 /nfs/dbraw/zinc/90/35/96/563903596.db2.gz WJEMIVREUYXVTL-CQSZACIVSA-N 1 0 319.499 3.623 50 0 DHAARO CC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccc(Br)cc1 ZINC000037886423 563930450 /nfs/dbraw/zinc/93/04/50/563930450.db2.gz OMCVDSWLSNYPJR-AWEZNQCLSA-N 1 0 308.223 3.722 50 0 DHAARO CCC[C@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000170591959 563906689 /nfs/dbraw/zinc/90/66/89/563906689.db2.gz RELZNSWVOJXZNC-MRXNPFEDSA-N 1 0 310.432 3.889 50 0 DHAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007486547 563906716 /nfs/dbraw/zinc/90/67/16/563906716.db2.gz BBKIQHXVTZGVMS-NSHDSACASA-N 1 0 300.324 3.518 50 0 DHAARO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1F ZINC000192960967 563908665 /nfs/dbraw/zinc/90/86/65/563908665.db2.gz GBVDIVXMYJJNND-GJZGRUSLSA-N 1 0 319.376 3.515 50 0 DHAARO C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000076057846 563912151 /nfs/dbraw/zinc/91/21/51/563912151.db2.gz BOUPWRCEYDKMBK-YWZLYKJASA-N 1 0 322.452 3.576 50 0 DHAARO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1C ZINC000076057658 563912215 /nfs/dbraw/zinc/91/22/15/563912215.db2.gz XBYCEBRGVQNPMY-IEBWSBKVSA-N 1 0 316.489 3.594 50 0 DHAARO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000076092542 563912411 /nfs/dbraw/zinc/91/24/11/563912411.db2.gz BGTDRYAJDUGXOL-QGZVFWFLSA-N 1 0 316.832 3.811 50 0 DHAARO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000090036325 563912652 /nfs/dbraw/zinc/91/26/52/563912652.db2.gz ZOAUPVQGLAECKL-CQSZACIVSA-N 1 0 318.848 3.643 50 0 DHAARO CC(C)(C)[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000054397203 563912973 /nfs/dbraw/zinc/91/29/73/563912973.db2.gz WETPLCDCMODJGR-IBGZPJMESA-N 1 0 321.424 3.572 50 0 DHAARO C[C@H](C(=O)N1CCC[C@H]1c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000239366913 563913997 /nfs/dbraw/zinc/91/39/97/563913997.db2.gz AGSKPWPTCXZGGR-SNRMKQJTSA-N 1 0 308.425 3.686 50 0 DHAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000252444264 563914881 /nfs/dbraw/zinc/91/48/81/563914881.db2.gz FHVURWWJQTVXLA-NUJGCVRESA-N 1 0 305.462 3.718 50 0 DHAARO CCCC[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002159954 563915677 /nfs/dbraw/zinc/91/56/77/563915677.db2.gz BGSZDPJMIDBZCN-FQEVSTJZSA-N 1 0 324.468 3.819 50 0 DHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC000037553709 563918731 /nfs/dbraw/zinc/91/87/31/563918731.db2.gz MFIRRLMMVIFDTM-UHFFFAOYSA-N 1 0 324.424 3.524 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(F)cc2)cc1 ZINC000007828351 563919914 /nfs/dbraw/zinc/91/99/14/563919914.db2.gz OHKCZNPXAYFVBY-UHFFFAOYSA-N 1 0 314.404 3.598 50 0 DHAARO C[C@H]1C[NH+]=C(c2ccccc2)C=C(c2cc(Cl)ccc2O)N1 ZINC000107941619 563924213 /nfs/dbraw/zinc/92/42/13/563924213.db2.gz VWWDYAIHGPYVFI-LBPRGKRZSA-N 1 0 312.800 3.868 50 0 DHAARO C[NH+](C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 ZINC000002400421 563927950 /nfs/dbraw/zinc/92/79/50/563927950.db2.gz AZYBPQSWPOOMFP-UHFFFAOYSA-N 1 0 313.470 3.676 50 0 DHAARO CCCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000012659964 563928906 /nfs/dbraw/zinc/92/89/06/563928906.db2.gz BVBAULRKXUPBJA-DMXPTSQMSA-N 1 0 305.462 3.690 50 0 biogenic DHAARO COCc1cc(C[NH2+][C@H](C)c2ccccc2OC)ccc1F ZINC000095422708 563931453 /nfs/dbraw/zinc/93/14/53/563931453.db2.gz SENBGZQEUWMVCG-CYBMUJFWSA-N 1 0 303.377 3.832 50 0 DHAARO Cc1ncn(C[C@H](C)[NH2+][C@H](c2ccccc2)c2ccccn2)c1C ZINC000095427065 563931476 /nfs/dbraw/zinc/93/14/76/563931476.db2.gz GMKJMPDXEJKZPA-MGPUTAFESA-N 1 0 320.440 3.663 50 0 DHAARO C[C@H](C(=O)N1CCC[C@@H]1c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000095965545 563932785 /nfs/dbraw/zinc/93/27/85/563932785.db2.gz AGSKPWPTCXZGGR-KFKAGJAMSA-N 1 0 308.425 3.686 50 0 DHAARO CC1(C)C[C@H]([NH2+]C2CCN(C3CC3)CC2)c2ccccc2O1 ZINC000095967056 563932866 /nfs/dbraw/zinc/93/28/66/563932866.db2.gz UBBBNDQTVXGESI-KRWDZBQOSA-N 1 0 300.446 3.505 50 0 DHAARO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cc(F)c(F)cc1Cl ZINC000095971613 563933371 /nfs/dbraw/zinc/93/33/71/563933371.db2.gz XUQSIFNOKTYGJG-UHFFFAOYSA-N 1 0 322.742 3.516 50 0 DHAARO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ncc(-c2ccccc2)s1 ZINC000096003697 563934678 /nfs/dbraw/zinc/93/46/78/563934678.db2.gz ZURDBRJWCYAONP-INIZCTEOSA-N 1 0 315.486 3.582 50 0 DHAARO COC(=O)c1cccc(CC[N@H+](C)Cc2ccccc2Cl)c1 ZINC000096027694 563935086 /nfs/dbraw/zinc/93/50/86/563935086.db2.gz WISSACVLPSHLBK-UHFFFAOYSA-N 1 0 317.816 3.801 50 0 DHAARO CC(C)n1cc([C@@H](C)[NH2+]CCc2cccc3cccnc32)cn1 ZINC000096476558 563937165 /nfs/dbraw/zinc/93/71/65/563937165.db2.gz KUVZDDSMBYYDRT-OAHLLOKOSA-N 1 0 308.429 3.906 50 0 DHAARO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C)cc1 ZINC000002647020 563940001 /nfs/dbraw/zinc/94/00/01/563940001.db2.gz IOUQTZSPYJKWDG-LJQANCHMSA-N 1 0 313.441 3.647 50 0 DHAARO CC1(C)CC(NC(=O)N2CCC[C@H]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000056780742 563941030 /nfs/dbraw/zinc/94/10/30/563941030.db2.gz AIXYSLNJALKDPX-INIZCTEOSA-N 1 0 321.509 3.660 50 0 DHAARO CC(C)C/C=C(\C[N@H+](C)C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000670449251 563944371 /nfs/dbraw/zinc/94/43/71/563944371.db2.gz MSCKSIGLTUCFMV-HDZGYNCQSA-N 1 0 314.473 3.526 50 0 DHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000008002830 563946107 /nfs/dbraw/zinc/94/61/07/563946107.db2.gz BOCZOUPLVKMVDZ-SFHVURJKSA-N 1 0 318.367 3.890 50 0 DHAARO Cc1c([C@@H](C)[NH2+]Cc2cccnc2)cnn1-c1ccc(F)cc1 ZINC000067504637 563949361 /nfs/dbraw/zinc/94/93/61/563949361.db2.gz TWXRHQPVISYILP-CYBMUJFWSA-N 1 0 310.376 3.566 50 0 DHAARO CC(C)Oc1ccccc1OCCOCC[NH+]1CCC(C)CC1 ZINC000008734941 563950391 /nfs/dbraw/zinc/95/03/91/563950391.db2.gz QRESYCIMZVWFHY-UHFFFAOYSA-N 1 0 321.461 3.601 50 0 DHAARO CN1CC[NH+](CCCOc2ccc(Cl)c3ccccc23)CC1 ZINC000039425352 563951121 /nfs/dbraw/zinc/95/11/21/563951121.db2.gz AYIMDDQKRQTVAP-UHFFFAOYSA-N 1 0 318.848 3.510 50 0 DHAARO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2=CCCCC2)cc1 ZINC000008936015 563951495 /nfs/dbraw/zinc/95/14/95/563951495.db2.gz PWOHVUGDQPMOLP-OAHLLOKOSA-N 1 0 316.445 3.892 50 0 DHAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)c2ccc[nH]2)cc1 ZINC000008939397 563951527 /nfs/dbraw/zinc/95/15/27/563951527.db2.gz UBSXDIIKTZPUDR-GOSISDBHSA-N 1 0 312.413 3.823 50 0 DHAARO C[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)[C@H](C)n1cccn1 ZINC000069372530 563952696 /nfs/dbraw/zinc/95/26/96/563952696.db2.gz YXEKXFUUSREJKH-NEPJUHHUSA-N 1 0 318.471 3.807 50 0 DHAARO c1csc([C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C2CCCC2)c1 ZINC000069453548 563953024 /nfs/dbraw/zinc/95/30/24/563953024.db2.gz QFUSBZWHHUKGIT-GUYCJALGSA-N 1 0 316.474 3.507 50 0 DHAARO c1ccn(C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000069528358 563953230 /nfs/dbraw/zinc/95/32/30/563953230.db2.gz LMSOEJJHXQUAQK-UHFFFAOYSA-N 1 0 306.413 3.511 50 0 DHAARO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1C ZINC000069538527 563953328 /nfs/dbraw/zinc/95/33/28/563953328.db2.gz DLQHYDLHSGSHPD-UHFFFAOYSA-N 1 0 302.462 3.688 50 0 DHAARO c1ccc(CC[NH+]2CCC(c3nc4ccccc4o3)CC2)nc1 ZINC000009338709 563955190 /nfs/dbraw/zinc/95/51/90/563955190.db2.gz AEGJBRGLPILRGI-UHFFFAOYSA-N 1 0 307.397 3.645 50 0 DHAARO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1F ZINC000010339719 563958666 /nfs/dbraw/zinc/95/86/66/563958666.db2.gz ARRSQDVIASAZDB-GOSISDBHSA-N 1 0 312.388 3.910 50 0 DHAARO c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000042907887 563959015 /nfs/dbraw/zinc/95/90/15/563959015.db2.gz HUPNTWQXKNMIBS-SFHVURJKSA-N 1 0 304.397 3.639 50 0 DHAARO C[N@H+](C[C@H](O)COC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000010434719 563959026 /nfs/dbraw/zinc/95/90/26/563959026.db2.gz JCZJSKJSPSUMIM-DRZUXFPHSA-N 1 0 321.505 3.597 50 0 DHAARO COc1ccc(C[NH2+]Cc2ccccc2)cc1Br ZINC000002886426 568414272 /nfs/dbraw/zinc/41/42/72/568414272.db2.gz ATAHVTILYSPSBQ-UHFFFAOYSA-N 1 0 306.203 3.748 50 0 DHAARO O=P(C[NH+]1CCCCC1)(N1CCCCC1)N1CCCCC1 ZINC000003092770 568415120 /nfs/dbraw/zinc/41/51/20/568415120.db2.gz BOGAITJEAVYFDD-UHFFFAOYSA-N 1 0 313.426 3.595 50 0 DHAARO O=C(C[N@@H+]1CCC[C@@H]1C1CCCCC1)Nc1ccc(Cl)cn1 ZINC000071812725 568419854 /nfs/dbraw/zinc/41/98/54/568419854.db2.gz ZDKBBAHFDXOFBD-OAHLLOKOSA-N 1 0 321.852 3.718 50 0 DHAARO [NH3+]CCCCCc1nnc(SCc2ccccc2Cl)o1 ZINC000002391194 568421944 /nfs/dbraw/zinc/42/19/44/568421944.db2.gz YNDBDUSVDPXEJE-UHFFFAOYSA-N 1 0 311.838 3.687 50 0 DHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000008555702 1032061736 /nfs/dbraw/zinc/06/17/36/1032061736.db2.gz BSPMSTCAXPQQMY-PKOBYXMFSA-N 1 0 316.489 3.761 50 0 DHAARO c1cncc(C[NH2+][C@@H]2CCOc3ccc(-c4cccnc4)cc32)c1 ZINC000299803838 1013329391 /nfs/dbraw/zinc/32/93/91/1013329391.db2.gz GTWMBXIVWCTTBK-LJQANCHMSA-N 1 0 317.392 3.757 50 0 DHAARO COc1ccc(CC[NH2+]CCc2c[nH]c3ccccc23)cc1OC ZINC000003109450 1013597743 /nfs/dbraw/zinc/59/77/43/1013597743.db2.gz DDJOXHALAFFLMR-UHFFFAOYSA-N 1 0 324.424 3.560 50 0 DHAARO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(OC(F)F)cc1 ZINC000340450245 1014229201 /nfs/dbraw/zinc/22/92/01/1014229201.db2.gz PZJVACDAFWAVAI-MNOVXSKESA-N 1 0 308.328 3.800 50 0 DHAARO CC[N@H+](Cc1nc(-c2ccsc2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289808458 1014468860 /nfs/dbraw/zinc/46/88/60/1014468860.db2.gz NHYLKXNCPQPFHQ-ZDUSSCGKSA-N 1 0 321.446 3.578 50 0 DHAARO CC[N@H+](Cc1nc(-c2ccsc2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289808450 1014470033 /nfs/dbraw/zinc/47/00/33/1014470033.db2.gz NHYLKXNCPQPFHQ-CYBMUJFWSA-N 1 0 321.446 3.578 50 0 DHAARO COc1ccc(CC[NH2+][C@@H]2CCCNc3ccccc32)cc1F ZINC000192816099 1032512629 /nfs/dbraw/zinc/51/26/29/1032512629.db2.gz JCVDAFSYLBTRMM-GOSISDBHSA-N 1 0 314.404 3.913 50 0 DHAARO CCc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)c2ccccc2n1 ZINC000192811320 1032511991 /nfs/dbraw/zinc/51/19/91/1032511991.db2.gz FIUVJIBPQQURMC-UHFFFAOYSA-N 1 0 323.440 3.610 50 0 DHAARO COc1cc(C)c(C[NH2+]Cc2cccc(CO)c2)cc1C(C)C ZINC000952962392 1032671710 /nfs/dbraw/zinc/67/17/10/1032671710.db2.gz BCPIQJSVPJYOSN-UHFFFAOYSA-N 1 0 313.441 3.909 50 0 DHAARO Cc1ncn(CC[NH2+]Cc2ccc(OC3CCCC3)cc2)c1C ZINC000952974522 1032676142 /nfs/dbraw/zinc/67/61/42/1032676142.db2.gz VBBXHJOXMXYYMR-UHFFFAOYSA-N 1 0 313.445 3.611 50 0 DHAARO CN(Cc1[nH]c2ccccc2c1Cl)C[C@]1(C)CC[N@H+](C)C1 ZINC000952978208 1032679334 /nfs/dbraw/zinc/67/93/34/1032679334.db2.gz PMQHPPMYIBYJBB-QGZVFWFLSA-N 1 0 305.853 3.595 50 0 DHAARO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(C(N)=O)cc2)o1 ZINC000076120595 1017376348 /nfs/dbraw/zinc/37/63/48/1017376348.db2.gz WJDJWQUPNWNYDY-CXAGYDPISA-N 1 0 312.413 3.660 50 0 DHAARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000119005522 1018793431 /nfs/dbraw/zinc/79/34/31/1018793431.db2.gz YTMGJVWTVMWNPQ-OAHLLOKOSA-N 1 0 317.458 3.622 50 0 DHAARO Cc1cccc(CN2CC[C@@H]([NH2+]C3CCCCC3)CCC2=O)c1 ZINC000012328355 1020078150 /nfs/dbraw/zinc/07/81/50/1020078150.db2.gz BJMXGBOYUXOYAU-IBGZPJMESA-N 1 0 314.473 3.798 50 0 DHAARO c1cc2c(s1)CCN(Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000820414228 1020182547 /nfs/dbraw/zinc/18/25/47/1020182547.db2.gz XNUKTBQXQHUEPR-UHFFFAOYSA-N 1 0 318.511 3.964 50 0 DHAARO CC[C@H](Cc1ccco1)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000822620682 1020345720 /nfs/dbraw/zinc/34/57/20/1020345720.db2.gz WHVKBNKMXBMIDV-GFCCVEGCSA-N 1 0 303.793 3.920 50 0 DHAARO CCn1c(C)cc2cc(NC(=O)[C@@H]3CCCCC[N@@H+]3C)ccc21 ZINC000823582566 1020431830 /nfs/dbraw/zinc/43/18/30/1020431830.db2.gz IQRSHOZLORRFDM-SFHVURJKSA-N 1 0 313.445 3.783 50 0 DHAARO Cc1nccn1CC[C@@H](C)[N@H+](C)Cc1ccc2ncccc2c1 ZINC000823647205 1020434250 /nfs/dbraw/zinc/43/42/50/1020434250.db2.gz ITMWXBKNEGMAJV-OAHLLOKOSA-N 1 0 308.429 3.650 50 0 DHAARO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)c1ccccc1 ZINC000023281079 1020472610 /nfs/dbraw/zinc/47/26/10/1020472610.db2.gz BZPRPXJRGVZBOU-INIZCTEOSA-N 1 0 309.331 3.871 50 0 DHAARO Cc1ccc(-n2cccn2)c(C[N@@H+](Cc2cccnc2)C(C)C)c1 ZINC000825158475 1020629002 /nfs/dbraw/zinc/62/90/02/1020629002.db2.gz QRLNGVDQNQVVIW-UHFFFAOYSA-N 1 0 320.440 3.986 50 0 DHAARO CCOC1CC(CC[NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194968652 1020747483 /nfs/dbraw/zinc/74/74/83/1020747483.db2.gz UGBSGHULYYPWFW-JTTJXQCZSA-N 1 0 303.446 3.867 50 0 DHAARO O=C(Cc1cccs1)Nc1ccccc1C[NH+]1CCCCC1 ZINC000828075137 1020811080 /nfs/dbraw/zinc/81/10/80/1020811080.db2.gz OLEGUANXVWABKE-UHFFFAOYSA-N 1 0 314.454 3.915 50 0 DHAARO Cc1ccc(-c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000828160984 1020818063 /nfs/dbraw/zinc/81/80/63/1020818063.db2.gz ATOVVHXSFRDEKX-UHFFFAOYSA-N 1 0 322.452 3.878 50 0 DHAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@@H]3c3cccnc3)s2)n[nH]1 ZINC000829070328 1020843928 /nfs/dbraw/zinc/84/39/28/1020843928.db2.gz RXFHYRSYUUMAGB-MRXNPFEDSA-N 1 0 310.426 3.870 50 0 DHAARO Cc1cnc(-c2ccncc2)n1C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000575547462 1020976064 /nfs/dbraw/zinc/97/60/64/1020976064.db2.gz CVMPIWUXRXDXME-QGZVFWFLSA-N 1 0 324.472 3.908 50 0 DHAARO O=C(c1cccc(C[NH2+]C/C=C\c2ccccc2)c1)N1CCCC1 ZINC000098009386 1021476773 /nfs/dbraw/zinc/47/67/73/1021476773.db2.gz HUMXXLMQQOVCFL-XFFZJAGNSA-N 1 0 320.436 3.726 50 0 DHAARO O=C(Nc1cccc(F)c1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581788022 1021837697 /nfs/dbraw/zinc/83/76/97/1021837697.db2.gz OQFQZJCIGRZUJD-OAHLLOKOSA-N 1 0 319.424 3.556 50 0 DHAARO CCCn1c(C)cnc1[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000581816494 1021853982 /nfs/dbraw/zinc/85/39/82/1021853982.db2.gz XMGIHBANNRJORI-OAHLLOKOSA-N 1 0 319.399 3.869 50 0 DHAARO Cc1ncsc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000107151392 1023410666 /nfs/dbraw/zinc/41/06/66/1023410666.db2.gz RLDBTHYNMMIFNI-WMLDXEAASA-N 1 0 315.486 3.594 50 0 DHAARO COc1cccc(N2CC[NH+](Cc3cc(C)ccc3C)CC2)c1 ZINC000004980314 1024137895 /nfs/dbraw/zinc/13/78/95/1024137895.db2.gz VQIZURMNGRAYOH-UHFFFAOYSA-N 1 0 310.441 3.634 50 0 DHAARO C[C@H](CCc1ccc(O)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000004981328 1024149321 /nfs/dbraw/zinc/14/93/21/1024149321.db2.gz UXBLQMNWTGOQTR-QGZVFWFLSA-N 1 0 310.441 3.536 50 0 DHAARO CCCc1ccc(CN2CCN(Cc3cccs3)CC2)o1 ZINC000215060035 1024521880 /nfs/dbraw/zinc/52/18/80/1024521880.db2.gz KSCSUGBHWVZSSJ-UHFFFAOYSA-N 1 0 304.459 3.611 50 0 DHAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000215978341 1024527118 /nfs/dbraw/zinc/52/71/18/1024527118.db2.gz IVADIJJASNNJDA-AWEZNQCLSA-N 1 0 310.376 3.599 50 0 DHAARO OCC[C@@H]1CCCCC[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000342836134 1024731984 /nfs/dbraw/zinc/73/19/84/1024731984.db2.gz HFPKILDRTPJQBG-ZDUSSCGKSA-N 1 0 317.351 3.554 50 0 DHAARO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC000155854228 1029319312 /nfs/dbraw/zinc/31/93/12/1029319312.db2.gz DJKPRPXYABSTCF-IBGZPJMESA-N 1 0 314.473 3.933 50 0 DHAARO Cc1ccc2c(c1)C[N@H+](C[C@H](C)CC1CCOCC1)CCO2 ZINC000585084485 1029641841 /nfs/dbraw/zinc/64/18/41/1029641841.db2.gz FKEJOZIOKSWKQL-MRXNPFEDSA-N 1 0 303.446 3.642 50 0 DHAARO CC1=Nc2ccccc2C12CC[NH+](CCc1ccncc1)CC2 ZINC000585116444 1029772224 /nfs/dbraw/zinc/77/22/24/1029772224.db2.gz WDOYNORUNZSLCB-UHFFFAOYSA-N 1 0 305.425 3.764 50 0 DHAARO COCc1cc(C[NH2+]CC2=Cc3ccccc3OC2)ccc1F ZINC000171646605 1039568919 /nfs/dbraw/zinc/56/89/19/1039568919.db2.gz AAVDFNJOPGSBJF-UHFFFAOYSA-N 1 0 313.372 3.538 50 0 DHAARO O=C(c1cccc(C[NH2+]C/C=C/c2ccccc2)c1)N1CCCC1 ZINC000078979830 185139746 /nfs/dbraw/zinc/13/97/46/185139746.db2.gz HUMXXLMQQOVCFL-YRNVUSSQSA-N 1 0 320.436 3.726 50 0 DHAARO CC[C@@H]([NH2+]Cc1ccc(OC)c(NC(C)=O)c1)c1ccccc1 ZINC000079030383 185147669 /nfs/dbraw/zinc/14/76/69/185147669.db2.gz YZWMAGSRULDGGO-QGZVFWFLSA-N 1 0 312.413 3.895 50 0 DHAARO C[C@H](c1cccc(Br)c1)[N@@H+]1CCCSCC1 ZINC000089980909 185273582 /nfs/dbraw/zinc/27/35/82/185273582.db2.gz RDFKXBCXLMJZHG-LLVKDONJSA-N 1 0 300.265 3.949 50 0 DHAARO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCCSCC1 ZINC000089980908 185273759 /nfs/dbraw/zinc/27/37/59/185273759.db2.gz RDFKXBCXLMJZHG-NSHDSACASA-N 1 0 300.265 3.949 50 0 DHAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000089949163 185270972 /nfs/dbraw/zinc/27/09/72/185270972.db2.gz LCPWTHKQZJGCAU-PBHICJAKSA-N 1 0 316.470 3.638 50 0 DHAARO CCC[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000082107237 192356406 /nfs/dbraw/zinc/35/64/06/192356406.db2.gz JYJYCEOCYSQAJY-GDBMZVCRSA-N 1 0 314.395 3.868 50 0 DHAARO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000181371565 199287326 /nfs/dbraw/zinc/28/73/26/199287326.db2.gz XBDHQSHURZDLTG-INIZCTEOSA-N 1 0 304.482 3.873 50 0 DHAARO O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CCCCCCC1 ZINC000095391510 185351555 /nfs/dbraw/zinc/35/15/55/185351555.db2.gz KDHKUNYKALXHBQ-GOSISDBHSA-N 1 0 300.446 3.560 50 0 DHAARO C[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000095402545 185354926 /nfs/dbraw/zinc/35/49/26/185354926.db2.gz LJQONNLWYWTBRM-UHFFFAOYSA-N 1 0 311.360 3.832 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CSc2ccccc21 ZINC000095405643 185355713 /nfs/dbraw/zinc/35/57/13/185355713.db2.gz WFYIMKFFIGUEMZ-HNNXBMFYSA-N 1 0 312.438 3.624 50 0 DHAARO c1nc(-c2cccc(C[NH2+]Cc3cc4ccccc4s3)c2)n[nH]1 ZINC000095412245 185357653 /nfs/dbraw/zinc/35/76/53/185357653.db2.gz ZKTKWBALXRETJA-UHFFFAOYSA-N 1 0 320.421 3.976 50 0 DHAARO Cc1c2ccccc2oc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082147712 192362355 /nfs/dbraw/zinc/36/23/55/192362355.db2.gz YXTWPDSNBHMPDU-OAHLLOKOSA-N 1 0 315.413 3.559 50 0 DHAARO Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3cnccn3)cs2)cc1 ZINC000095421681 185360987 /nfs/dbraw/zinc/36/09/87/185360987.db2.gz UWHBVMKDLUESQQ-AWEZNQCLSA-N 1 0 324.453 3.802 50 0 DHAARO Cc1ccc(C)c(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000095440194 185366031 /nfs/dbraw/zinc/36/60/31/185366031.db2.gz YBIBXFRXPKTPES-QVKFZJNVSA-N 1 0 301.455 3.892 50 0 DHAARO Cc1ccc(C)c(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000095440193 185366118 /nfs/dbraw/zinc/36/61/18/185366118.db2.gz YBIBXFRXPKTPES-YCRPNKLZSA-N 1 0 301.455 3.892 50 0 DHAARO FC(F)(F)Cn1cc(C[NH2+][C@H]2CCCc3sccc32)cn1 ZINC000097017349 185397398 /nfs/dbraw/zinc/39/73/98/185397398.db2.gz QANIMZLGTIMFKY-LBPRGKRZSA-N 1 0 315.364 3.674 50 0 DHAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C3OCCO3)cc1)CC2 ZINC000097016944 185397647 /nfs/dbraw/zinc/39/76/47/185397647.db2.gz XOKKZFZWXHSRJY-IBGZPJMESA-N 1 0 309.409 3.818 50 0 DHAARO Cc1c(NC2CC[NH+](Cc3cccnc3)CC2)cccc1N(C)C ZINC000097084721 185407322 /nfs/dbraw/zinc/40/73/22/185407322.db2.gz DIFONGXGRMCZRA-UHFFFAOYSA-N 1 0 324.472 3.533 50 0 DHAARO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000040158611 190665740 /nfs/dbraw/zinc/66/57/40/190665740.db2.gz HSCZLEZTUNQHHO-HXUWFJFHSA-N 1 0 322.452 3.523 50 0 DHAARO C[NH+](C)Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000083851229 192386206 /nfs/dbraw/zinc/38/62/06/192386206.db2.gz CPTZEABRFZNKFQ-UHFFFAOYSA-N 1 0 300.427 3.551 50 0 DHAARO O=C(CCC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000071770667 191030061 /nfs/dbraw/zinc/03/00/61/191030061.db2.gz IOCMJUXJUBZFSJ-UHFFFAOYSA-N 1 0 323.436 3.633 50 0 DHAARO O=C(c1ccccc1)[C@@H](C[NH+]1CCSCC1)c1ccccc1 ZINC000071770153 191030237 /nfs/dbraw/zinc/03/02/37/191030237.db2.gz OUDTYUYHBKMZIP-SFHVURJKSA-N 1 0 311.450 3.702 50 0 DHAARO CC(C)=CC[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072147262 191052934 /nfs/dbraw/zinc/05/29/34/191052934.db2.gz GOFLGNWUSBZSIN-UHFFFAOYSA-N 1 0 313.363 3.955 50 0 DHAARO COc1ccc(OC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000072154430 191059113 /nfs/dbraw/zinc/05/91/13/191059113.db2.gz DJSSXIRNNFQLQO-UHFFFAOYSA-N 1 0 303.427 3.800 50 0 DHAARO CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000225602386 186282008 /nfs/dbraw/zinc/28/20/08/186282008.db2.gz KDSREIMCEKWOEM-UXHICEINSA-N 1 0 322.452 3.629 50 0 DHAARO CC(C)c1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072431258 191163656 /nfs/dbraw/zinc/16/36/56/191163656.db2.gz QOPAWRCEUGYWBD-UHFFFAOYSA-N 1 0 315.848 3.923 50 0 DHAARO C[C@H]1CCC[N@H+](CCCNC(=O)Nc2cccc(Cl)c2)C1 ZINC000072437223 191165796 /nfs/dbraw/zinc/16/57/96/191165796.db2.gz QCTSJKITNLSJAD-ZDUSSCGKSA-N 1 0 309.841 3.584 50 0 DHAARO CC1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000072437381 191166565 /nfs/dbraw/zinc/16/65/65/191166565.db2.gz PNDMLKCBLMSHKE-UHFFFAOYSA-N 1 0 314.473 3.738 50 0 DHAARO Cc1ccc(C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)o1 ZINC000072477727 191180113 /nfs/dbraw/zinc/18/01/13/191180113.db2.gz NDKOEIUQRLWHLG-UHFFFAOYSA-N 1 0 311.429 3.618 50 0 DHAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000072591380 191198915 /nfs/dbraw/zinc/19/89/15/191198915.db2.gz YWEVASVQZLDEKD-OAHLLOKOSA-N 1 0 311.441 3.508 50 0 DHAARO CCc1ccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000000299632 180751622 /nfs/dbraw/zinc/75/16/22/180751622.db2.gz XDBBTWYRQFDBSE-UHFFFAOYSA-N 1 0 316.489 3.623 50 0 DHAARO COc1ccccc1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514493 180929082 /nfs/dbraw/zinc/92/90/82/180929082.db2.gz BKNOEGQBQUASCF-UHFFFAOYSA-N 1 0 309.409 3.912 50 0 DHAARO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)c(C(C)(C)C)c1 ZINC000003105365 180981506 /nfs/dbraw/zinc/98/15/06/180981506.db2.gz ZQAFYIPTBRQAKV-INIZCTEOSA-N 1 0 305.462 3.564 50 0 DHAARO CCn1c2ccccc2c2cc(NC(=O)C[NH2+]C3CC3)ccc21 ZINC000003305925 181002716 /nfs/dbraw/zinc/00/27/16/181002716.db2.gz LERGHEWVFKEWQW-UHFFFAOYSA-N 1 0 307.397 3.505 50 0 DHAARO CCCCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000003902195 181054939 /nfs/dbraw/zinc/05/49/39/181054939.db2.gz RIKXLROQYQSOHV-HDMKZQKVSA-N 1 0 319.445 3.751 50 0 DHAARO C[NH2+][C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004084113 181071282 /nfs/dbraw/zinc/07/12/82/181071282.db2.gz LXUIGQVHABEBDW-QFHQRVFTSA-N 1 0 305.506 3.978 50 0 biogenic DHAARO CC(C)c1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000004164579 181080318 /nfs/dbraw/zinc/08/03/18/181080318.db2.gz JQKCVMHFHDPFRO-JZXOWHBKSA-N 1 0 305.462 3.813 50 0 DHAARO CC[N@H+](CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 ZINC000004525449 181120340 /nfs/dbraw/zinc/12/03/40/181120340.db2.gz ZECNSAJNCCUDHY-UHFFFAOYSA-N 1 0 318.367 3.816 50 0 DHAARO COc1ccccc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000004553771 181123891 /nfs/dbraw/zinc/12/38/91/181123891.db2.gz CNQPHFBBXVAUJT-UHFFFAOYSA-N 1 0 302.462 3.536 50 0 DHAARO CC1CCC([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000004700847 181139265 /nfs/dbraw/zinc/13/92/65/181139265.db2.gz RWOXHNQPEVJPNC-UHFFFAOYSA-N 1 0 320.864 3.677 50 0 DHAARO Cc1cc(C)cc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000004744700 181146095 /nfs/dbraw/zinc/14/60/95/181146095.db2.gz YHFOPPVJYAHVRA-UHFFFAOYSA-N 1 0 308.425 3.690 50 0 DHAARO CCc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000004978608 181183908 /nfs/dbraw/zinc/18/39/08/181183908.db2.gz BHRZLDYLUZANKP-UHFFFAOYSA-N 1 0 311.425 3.825 50 0 DHAARO CC(=O)Nc1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1 ZINC000075402878 191471117 /nfs/dbraw/zinc/47/11/17/191471117.db2.gz PXBYBMRLIRQSRT-UHFFFAOYSA-O 1 0 309.414 3.855 50 0 DHAARO O=C(Nc1ccccc1F)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005731320 181277833 /nfs/dbraw/zinc/27/78/33/181277833.db2.gz HVIUQKDBHLZZEJ-BBRMVZONSA-N 1 0 306.381 3.639 50 0 DHAARO CC[N@H+](C[C@H](O)COc1ccc(C)cc1C)C1CCCCC1 ZINC000005795067 181285363 /nfs/dbraw/zinc/28/53/63/181285363.db2.gz WWLBHPQCRBGOFL-SFHVURJKSA-N 1 0 305.462 3.698 50 0 DHAARO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000237399102 202254241 /nfs/dbraw/zinc/25/42/41/202254241.db2.gz UBFYZCFPJPHSLR-SNVBAGLBSA-N 1 0 322.321 3.642 50 0 DHAARO OC(/C=C\C[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000006228733 181321376 /nfs/dbraw/zinc/32/13/76/181321376.db2.gz ZOVDFMBYOLTYRD-GDNBJRDFSA-N 1 0 307.437 3.965 50 0 DHAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cnc2ccsc2c1 ZINC000248767342 202761361 /nfs/dbraw/zinc/76/13/61/202761361.db2.gz XFXSVYPJXXPKMP-XYZKALLWSA-N 1 0 314.454 3.905 50 0 DHAARO CC(C)[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccccc1 ZINC000091284616 193029802 /nfs/dbraw/zinc/02/98/02/193029802.db2.gz AIRUXZPMXQCVIY-LJQANCHMSA-N 1 0 306.413 3.754 50 0 DHAARO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000095971501 193467883 /nfs/dbraw/zinc/46/78/83/193467883.db2.gz GJVIRSGHYCISFZ-JKSUJKDBSA-N 1 0 314.816 3.802 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)CCc1cc(F)ccc1F ZINC000095971520 193467920 /nfs/dbraw/zinc/46/79/20/193467920.db2.gz CSXPTPLCLQNOKG-UHFFFAOYSA-N 1 0 318.367 3.646 50 0 DHAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2C)c1C ZINC000013147942 181834108 /nfs/dbraw/zinc/83/41/08/181834108.db2.gz JJYYMWPJODJYLK-ZTFGCOKTSA-N 1 0 305.462 3.520 50 0 DHAARO O=C1CCCN1c1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000015580731 182007891 /nfs/dbraw/zinc/00/78/91/182007891.db2.gz PMTJXINFONEXAY-UHFFFAOYSA-N 1 0 314.816 3.757 50 0 DHAARO Cc1ccc(Cl)c(OCCOCC[NH+]2CCC(C)CC2)c1 ZINC000015767958 182015002 /nfs/dbraw/zinc/01/50/02/182015002.db2.gz WGAFZZZKRQIRHM-UHFFFAOYSA-N 1 0 311.853 3.776 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1O ZINC000015837190 182020263 /nfs/dbraw/zinc/02/02/63/182020263.db2.gz WTHNYICECZBSEB-MRXNPFEDSA-N 1 0 301.361 3.877 50 0 DHAARO Cc1c(O)ccc2c(C[N@@H+](C)C3CCCCC3)cc(=O)oc12 ZINC000016445607 182045380 /nfs/dbraw/zinc/04/53/80/182045380.db2.gz DBBIDPOPGNCGRF-UHFFFAOYSA-N 1 0 301.386 3.572 50 0 DHAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(Cl)cc1Cl ZINC000017053644 182071501 /nfs/dbraw/zinc/07/15/01/182071501.db2.gz QPOLSIWWMDKZAY-UHFFFAOYSA-N 1 0 316.232 3.601 50 0 DHAARO Cc1cccc(C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1 ZINC000017208721 182080215 /nfs/dbraw/zinc/08/02/15/182080215.db2.gz JLVCKJDPNKAWLL-UHFFFAOYSA-N 1 0 307.392 3.885 50 0 DHAARO CCc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000019359007 182117834 /nfs/dbraw/zinc/11/78/34/182117834.db2.gz ZGTIYVMUCOZVMJ-UHFFFAOYSA-N 1 0 322.496 3.999 50 0 DHAARO c1ccc2c(c1)cccc2C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000019376382 182120785 /nfs/dbraw/zinc/12/07/85/182120785.db2.gz LASBYUDWFSSBFO-UHFFFAOYSA-N 1 0 317.436 3.553 50 0 DHAARO CCCCCCOc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000019635060 182134315 /nfs/dbraw/zinc/13/43/15/182134315.db2.gz PAWJOLDYSVNDLF-UHFFFAOYSA-N 1 0 304.478 3.783 50 0 DHAARO Clc1ccccc1CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019788046 182148505 /nfs/dbraw/zinc/14/85/05/182148505.db2.gz WDEUKRRXDADAJJ-INIZCTEOSA-N 1 0 304.865 3.814 50 0 DHAARO COCCC[NH2+]CCCCOc1ccc(Cl)cc1Cl ZINC000019738577 182141382 /nfs/dbraw/zinc/14/13/82/182141382.db2.gz HEBKGQPORMBVMY-UHFFFAOYSA-N 1 0 306.233 3.779 50 0 DHAARO COc1ccc(CC[NH2+]Cc2cccc(Cl)c2)cc1OC ZINC000019787135 182148628 /nfs/dbraw/zinc/14/86/28/182148628.db2.gz YQMGNQUDKGUVRK-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO FC(F)(F)c1ccccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000019789461 182148804 /nfs/dbraw/zinc/14/88/04/182148804.db2.gz LRYPLCXKSMOJTK-UHFFFAOYSA-N 1 0 312.379 3.766 50 0 DHAARO Clc1ccccc1CCCN1CC[NH+](C2CCCC2)CC1 ZINC000019835523 182155045 /nfs/dbraw/zinc/15/50/45/182155045.db2.gz STXGZUUWZFXOAY-UHFFFAOYSA-N 1 0 306.881 3.833 50 0 DHAARO FC(F)(F)c1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000019855972 182157245 /nfs/dbraw/zinc/15/72/45/182157245.db2.gz LJDUYNNVIBZNHH-UHFFFAOYSA-N 1 0 323.314 3.766 50 0 DHAARO CC[NH+](CC)CCN(Cc1ccc(C)o1)Cc1ccc(C)o1 ZINC000019859159 182158435 /nfs/dbraw/zinc/15/84/35/182158435.db2.gz FYQLONKHGDBXFJ-UHFFFAOYSA-N 1 0 304.434 3.833 50 0 DHAARO Oc1cccc([C@@H](O)C[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000019871704 182159057 /nfs/dbraw/zinc/15/90/57/182159057.db2.gz FDMOJDWENIPPIZ-HNNXBMFYSA-N 1 0 312.196 3.522 50 0 DHAARO Brc1ccccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000019889652 182160951 /nfs/dbraw/zinc/16/09/51/182160951.db2.gz CISTZZYZKHXSBM-UHFFFAOYSA-N 1 0 323.278 3.509 50 0 DHAARO C[NH+]1CCN(CCCOc2ccc(Cl)cc2C(C)(C)C)CC1 ZINC000020118330 182189390 /nfs/dbraw/zinc/18/93/90/182189390.db2.gz LWFIJMODXSLSEM-UHFFFAOYSA-N 1 0 324.896 3.654 50 0 DHAARO O=C(C1CCCC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020533970 182228078 /nfs/dbraw/zinc/22/80/78/182228078.db2.gz PYSAGOBTYFVWGE-UHFFFAOYSA-N 1 0 322.452 3.674 50 0 DHAARO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c(C)c1 ZINC000021175260 182268175 /nfs/dbraw/zinc/26/81/75/182268175.db2.gz NXGWUWNENBAVNT-MRXNPFEDSA-N 1 0 315.461 3.689 50 0 DHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(OC)c1 ZINC000021720980 182286048 /nfs/dbraw/zinc/28/60/48/182286048.db2.gz HBLPXTLMFRCWNW-AWEZNQCLSA-N 1 0 316.401 3.597 50 0 DHAARO FC(F)(F)c1cccc([C@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022127349 182309754 /nfs/dbraw/zinc/30/97/54/182309754.db2.gz VOQCGPJENVDOCK-KRWDZBQOSA-N 1 0 320.358 3.700 50 0 DHAARO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000022414061 182320750 /nfs/dbraw/zinc/32/07/50/182320750.db2.gz FPJSXKSTUFDVEQ-UHFFFAOYSA-N 1 0 320.502 3.975 50 0 DHAARO CC(C)[NH+](CCNC(=O)Cc1ccc2ccccc2c1)C(C)C ZINC000022623050 182328727 /nfs/dbraw/zinc/32/87/27/182328727.db2.gz LYKTYVSTSFNOGE-UHFFFAOYSA-N 1 0 312.457 3.617 50 0 DHAARO CCc1ccc([C@@H](CNC(=O)c2sccc2C)[NH+](C)C)cc1 ZINC000022683927 182330649 /nfs/dbraw/zinc/33/06/49/182330649.db2.gz ONOFMJAWCGZEMH-MRXNPFEDSA-N 1 0 316.470 3.652 50 0 DHAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000022704529 182331594 /nfs/dbraw/zinc/33/15/94/182331594.db2.gz BIBGWRFCKSSQHU-UHFFFAOYSA-N 1 0 320.820 3.672 50 0 DHAARO C[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccc(F)cc1F ZINC000022965239 182343319 /nfs/dbraw/zinc/34/33/19/182343319.db2.gz PBJPIKSCEZSZBO-UHFFFAOYSA-N 1 0 322.330 3.565 50 0 DHAARO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)CCCC(C)(C)O)cc1 ZINC000023283020 182355622 /nfs/dbraw/zinc/35/56/22/182355622.db2.gz SGLFAELVOKUDOS-HOTGVXAUSA-N 1 0 307.478 3.936 50 0 DHAARO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)CCCC(C)(C)O)cc1 ZINC000023283018 182355865 /nfs/dbraw/zinc/35/58/65/182355865.db2.gz SGLFAELVOKUDOS-JKSUJKDBSA-N 1 0 307.478 3.936 50 0 DHAARO COc1ccc(CC[N@H+](C)Cc2ccc(F)c(F)c2)cc1OC ZINC000023114965 182348596 /nfs/dbraw/zinc/34/85/96/182348596.db2.gz DJSGLGCQMQQCBC-UHFFFAOYSA-N 1 0 321.367 3.657 50 0 DHAARO C[C@H](C[NH+]1CCC(n2cc(C3CC3)nn2)CC1)c1ccccc1 ZINC000023479248 182362152 /nfs/dbraw/zinc/36/21/52/182362152.db2.gz PGMDQVZZUNFWOR-OAHLLOKOSA-N 1 0 310.445 3.596 50 0 DHAARO Cc1cc(C)c(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c(C)c1 ZINC000040088598 183032920 /nfs/dbraw/zinc/03/29/20/183032920.db2.gz JTYBYOVSNNCKOC-GOSISDBHSA-N 1 0 305.368 3.713 50 0 DHAARO C[C@H](CC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000040555807 183101473 /nfs/dbraw/zinc/10/14/73/183101473.db2.gz MFOCRIBZCUIWRJ-OAHLLOKOSA-N 1 0 302.462 3.559 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000042207317 183242845 /nfs/dbraw/zinc/24/28/45/183242845.db2.gz DFXSKRGTDMCXEU-HIFRSBDPSA-N 1 0 314.351 3.856 50 0 DHAARO Cc1cc(OC2CC[NH2+]CC2)c(Br)c(C)c1Cl ZINC000042774443 183307643 /nfs/dbraw/zinc/30/76/43/183307643.db2.gz NDRSCKMQXAIZNK-UHFFFAOYSA-N 1 0 318.642 3.850 50 0 DHAARO CC(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774713 183307951 /nfs/dbraw/zinc/30/79/51/183307951.db2.gz GVYYXJYEMSSNNV-GFCCVEGCSA-N 1 0 312.251 3.951 50 0 DHAARO CC(C)[N@H+](Cc1cnn(C)c1)Cc1ccc(F)c2cccnc12 ZINC000055919855 184000684 /nfs/dbraw/zinc/00/06/84/184000684.db2.gz DFAZUTSKOJQRBK-UHFFFAOYSA-N 1 0 312.392 3.518 50 0 DHAARO CCCC[NH2+][C@H]1C(C)=C(C)C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000057270776 184031392 /nfs/dbraw/zinc/03/13/92/184031392.db2.gz SSBLOYDKKYDGAY-HNAYVOBHSA-N 1 0 314.473 3.902 50 0 DHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000057315425 184032886 /nfs/dbraw/zinc/03/28/86/184032886.db2.gz AAVNHHQXYQPJII-QGZVFWFLSA-N 1 0 317.820 3.660 50 0 DHAARO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC1CCCCC1 ZINC000057861502 184058756 /nfs/dbraw/zinc/05/87/56/184058756.db2.gz VNNVZEZVVUNSRX-UHFFFAOYSA-N 1 0 322.452 3.815 50 0 DHAARO C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000058169741 184083865 /nfs/dbraw/zinc/08/38/65/184083865.db2.gz FUQHGKVGEAGGGG-PMPSAXMXSA-N 1 0 308.425 3.704 50 0 DHAARO CCc1cccc(C)c1NC(=O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000058170351 184083879 /nfs/dbraw/zinc/08/38/79/184083879.db2.gz CGSHTAZIUJPMEB-UHFFFAOYSA-N 1 0 316.832 3.939 50 0 DHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000058183702 184085721 /nfs/dbraw/zinc/08/57/21/184085721.db2.gz CYAZDZCKJXCXFN-HLLBOEOZSA-N 1 0 301.434 3.556 50 0 DHAARO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000058160751 184082356 /nfs/dbraw/zinc/08/23/56/184082356.db2.gz GWKFRPFDMSUKOX-KXBFYZLASA-N 1 0 320.436 3.631 50 0 DHAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)c(C)s1 ZINC000058298071 184102258 /nfs/dbraw/zinc/10/22/58/184102258.db2.gz ZHWFAMLZPHOFOH-UHFFFAOYSA-N 1 0 302.443 3.573 50 0 DHAARO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(C)c2)cn1 ZINC000065381838 184332007 /nfs/dbraw/zinc/33/20/07/184332007.db2.gz OHKPYJVWAWRPIM-CYBMUJFWSA-N 1 0 317.820 3.641 50 0 DHAARO Cc1ccccc1NC(=O)CC[NH2+][C@@H](c1ncccc1C)C1CC1 ZINC000065408567 184339424 /nfs/dbraw/zinc/33/94/24/184339424.db2.gz IATXKKVCPOKIDY-HXUWFJFHSA-N 1 0 323.440 3.768 50 0 DHAARO CC(C)c1nc(CCC[NH+](C)C)n(-c2cccc(Cl)c2)n1 ZINC000065527928 184360434 /nfs/dbraw/zinc/36/04/34/184360434.db2.gz AWZUAFWUMNHSBA-UHFFFAOYSA-N 1 0 306.841 3.538 50 0 DHAARO Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(C)c1 ZINC000065739837 184378156 /nfs/dbraw/zinc/37/81/56/184378156.db2.gz PTEWDAPRSIQFDE-UHFFFAOYSA-N 1 0 319.408 3.728 50 0 DHAARO Cc1ccc(C(C)(C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000067542047 184471371 /nfs/dbraw/zinc/47/13/71/184471371.db2.gz DTGJDWLSQVPIRT-IBGZPJMESA-N 1 0 324.468 3.519 50 0 DHAARO Oc1ccc(C2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000155113261 197023233 /nfs/dbraw/zinc/02/32/33/197023233.db2.gz WRQWNDSBORMSRQ-RRZHUDIISA-N 1 0 315.457 3.966 50 0 DHAARO c1[nH]c2ccccc2c1CC[NH2+][C@H](Cc1ccccn1)C1CC1 ZINC000151326814 196665336 /nfs/dbraw/zinc/66/53/36/196665336.db2.gz XDJKXTKXSZXUNY-HXUWFJFHSA-N 1 0 305.425 3.716 50 0 DHAARO Cc1nc2ccc(-c3ccc([C@H](C)[NH+]4CCCC4)cc3)cn2n1 ZINC000426640516 257245523 /nfs/dbraw/zinc/24/55/23/257245523.db2.gz PKWVABPVEJYQMO-AWEZNQCLSA-N 1 0 306.413 3.862 50 0 DHAARO CC1(C)CC(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)CC(C)(C)[NH2+]1 ZINC000426573149 257246418 /nfs/dbraw/zinc/24/64/18/257246418.db2.gz NFMLPZRWEZYGMN-DLBZAZTESA-N 1 0 314.473 3.606 50 0 DHAARO c1csc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000243893366 257259503 /nfs/dbraw/zinc/25/95/03/257259503.db2.gz AQLRASXAHOOIBE-ROUUACIJSA-N 1 0 304.503 3.977 50 0 DHAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000128086181 195935534 /nfs/dbraw/zinc/93/55/34/195935534.db2.gz WWDJGBZWGWABDQ-BZVDIIDJSA-N 1 0 303.377 3.767 50 0 DHAARO COC(C)(C)C[C@@H](C)[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000065375946 134822466 /nfs/dbraw/zinc/82/24/66/134822466.db2.gz GMHWUVNGQXJMIO-MRXNPFEDSA-N 1 0 304.478 3.757 50 0 DHAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136493711 196539276 /nfs/dbraw/zinc/53/92/76/196539276.db2.gz QWIORALZDTZFSP-WBVHZDCISA-N 1 0 303.446 3.795 50 0 DHAARO Clc1ccc2nc(NC[C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000534576687 435294820 /nfs/dbraw/zinc/29/48/20/435294820.db2.gz AOYFHAVTZYRHIM-GFCCVEGCSA-N 1 0 301.821 3.784 50 0 DHAARO COc1ccc2c(c1F)CC[C@H]2Nc1ccc2c(c1)ncn2C ZINC000343798472 335193775 /nfs/dbraw/zinc/19/37/75/335193775.db2.gz PJBUXUZVOPEDOC-CQSZACIVSA-N 1 0 311.360 3.820 50 0 DHAARO Cc1cc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc(C)c1Cl ZINC000011847327 337347444 /nfs/dbraw/zinc/34/74/44/337347444.db2.gz QHCAZSIDWTYHKC-HUUCEWRRSA-N 1 0 311.853 3.571 50 0 DHAARO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1nnc(-c2ccccc2)o1 ZINC000119879967 337382925 /nfs/dbraw/zinc/38/29/25/337382925.db2.gz YTKMXOHMHQUMLX-TZMCWYRMSA-N 1 0 315.417 3.733 50 0 DHAARO CCO[C@H](C)c1nc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000119894297 337382953 /nfs/dbraw/zinc/38/29/53/337382953.db2.gz YPXWPPSSTROEPO-DGCLKSJQSA-N 1 0 312.479 3.676 50 0 DHAARO C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000262632046 526109354 /nfs/dbraw/zinc/10/93/54/526109354.db2.gz XCXBACQGNHRYGS-UPJWGTAASA-N 1 0 306.837 3.519 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007486546 563906683 /nfs/dbraw/zinc/90/66/83/563906683.db2.gz BBKIQHXVTZGVMS-LLVKDONJSA-N 1 0 300.324 3.518 50 0 DHAARO COc1ccccc1C[NH2+]Cc1cccc(Br)c1 ZINC000000172189 563227492 /nfs/dbraw/zinc/22/74/92/563227492.db2.gz OBQGWYJYXYEQNA-UHFFFAOYSA-N 1 0 306.203 3.748 50 0 DHAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000007984372 563460680 /nfs/dbraw/zinc/46/06/80/563460680.db2.gz UZGYTWUPCGXNQM-KKUMJFAQSA-N 1 0 304.434 3.581 50 0 DHAARO CC[C@H](C)[NH2+]CCOc1ccc(Br)cc1Cl ZINC000002824073 563469872 /nfs/dbraw/zinc/46/98/72/563469872.db2.gz SVNGPLJLOSYAIH-VIFPVBQESA-N 1 0 306.631 3.869 50 0 DHAARO CC(=O)N[C@]1(c2ccccc2)CC[N@@H+](C)[C@@H](c2ccccc2)[C@@H]1C ZINC000000184979 563229134 /nfs/dbraw/zinc/22/91/34/563229134.db2.gz LTMCHGVWSAGBIT-ZLGUVYLKSA-N 1 0 322.452 3.731 50 0 DHAARO O[C@@]12CCCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)[NH2+]CC2 ZINC000000187988 563229193 /nfs/dbraw/zinc/22/91/93/563229193.db2.gz INWMRQARFUAODH-VHDGCEQUSA-N 1 0 300.229 3.949 50 0 biogenic DHAARO Cc1cc(OC[C@H](O)C[NH+]2CCC(C)CC2)ccc1C(C)C ZINC000000280887 563235218 /nfs/dbraw/zinc/23/52/18/563235218.db2.gz SXCRVWNKGOOLGY-QGZVFWFLSA-N 1 0 305.462 3.590 50 0 DHAARO C[N@H+](C[C@@H](O)COc1ccc2ccccc2c1)C1CCCCC1 ZINC000000307573 563239108 /nfs/dbraw/zinc/23/91/08/563239108.db2.gz PCEJUSXAMGFALJ-LJQANCHMSA-N 1 0 313.441 3.844 50 0 DHAARO COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)c(OC)c1C ZINC000002110463 563300202 /nfs/dbraw/zinc/30/02/02/563300202.db2.gz DASAVKVTDCTWDV-UHFFFAOYSA-N 1 0 324.424 3.826 50 0 biogenic DHAARO O=C(c1cc(F)c(F)c(F)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515588 563306220 /nfs/dbraw/zinc/30/62/20/563306220.db2.gz SZOPIBNZPCJBLC-UHFFFAOYSA-N 1 0 319.326 3.931 50 0 DHAARO [NH3+]CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002570619 563309911 /nfs/dbraw/zinc/30/99/11/563309911.db2.gz QOTXSWQISHLYHE-UHFFFAOYSA-N 1 0 324.424 3.654 50 0 DHAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(F)c(Oc2ccccc2)c1 ZINC000002582526 563310242 /nfs/dbraw/zinc/31/02/42/563310242.db2.gz BLSWWBILEDTHPM-OAHLLOKOSA-N 1 0 303.333 3.571 50 0 DHAARO C(=C/c1ccc2c(c1)OCO2)\c1cc[n+](Cc2ccccc2)cc1 ZINC000003099567 563321949 /nfs/dbraw/zinc/32/19/49/563321949.db2.gz JSSSCYHMVXCTLD-VOTSOKGWSA-N 1 0 316.380 3.922 50 0 DHAARO COc1ccccc1N1CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000004980876 563328372 /nfs/dbraw/zinc/32/83/72/563328372.db2.gz XQZHFUGHTZTKPS-FBMGVBCBSA-N 1 0 322.452 3.921 50 0 DHAARO C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccncc1 ZINC000097370661 563336674 /nfs/dbraw/zinc/33/66/74/563336674.db2.gz YJZFAKQIUVOWFZ-NSHDSACASA-N 1 0 315.323 3.866 50 0 DHAARO CCOCCC[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540943 563339448 /nfs/dbraw/zinc/33/94/48/563339448.db2.gz YOVANIXPRNACFF-CQSZACIVSA-N 1 0 303.402 3.516 50 0 DHAARO Cc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCCC3)cc1 ZINC000002966507 563345170 /nfs/dbraw/zinc/34/51/70/563345170.db2.gz JYATVUVHSOPIIY-OAQYLSRUSA-N 1 0 321.444 3.645 50 0 DHAARO COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OC ZINC000008495163 563347138 /nfs/dbraw/zinc/34/71/38/563347138.db2.gz WQOZFYFIGJXYHM-UHFFFAOYSA-N 1 0 301.430 3.618 50 0 DHAARO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccccc1F ZINC000008472228 563347325 /nfs/dbraw/zinc/34/73/25/563347325.db2.gz SKSLTPOWKARUHF-UHFFFAOYSA-N 1 0 301.361 3.665 50 0 DHAARO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010449942 563356524 /nfs/dbraw/zinc/35/65/24/563356524.db2.gz XLEKPJWSTYSFQO-MRXNPFEDSA-N 1 0 320.436 3.874 50 0 DHAARO C/C=C(\C)C[N@H+]1CCC[C@H](C(=O)c2ccc(OC)cc2OC)C1 ZINC000011814581 563359042 /nfs/dbraw/zinc/35/90/42/563359042.db2.gz DRKSFIFSTIEDNU-JVDKPVQESA-N 1 0 317.429 3.565 50 0 DHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000012300295 563365546 /nfs/dbraw/zinc/36/55/46/563365546.db2.gz NUIUWKDOANKWRK-AWEZNQCLSA-N 1 0 319.399 3.841 50 0 DHAARO CCn1ccnc1C[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000012303112 563366239 /nfs/dbraw/zinc/36/62/39/563366239.db2.gz UHXWQVSISAVKEC-MRXNPFEDSA-N 1 0 315.436 3.887 50 0 DHAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](CC2CC2)C1 ZINC000012437747 563369634 /nfs/dbraw/zinc/36/96/34/563369634.db2.gz ADKCSFFEARWNQA-FQEVSTJZSA-N 1 0 315.457 3.593 50 0 DHAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](CC)CC1 ZINC000012592758 563371507 /nfs/dbraw/zinc/37/15/07/563371507.db2.gz PCMJZIOPYOCNDX-UHFFFAOYSA-N 1 0 309.837 3.548 50 0 DHAARO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000013674605 563385650 /nfs/dbraw/zinc/38/56/50/563385650.db2.gz OKNHOXWSHUXIHB-UHFFFAOYSA-N 1 0 308.425 3.949 50 0 DHAARO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc2ccccc2c1 ZINC000014014981 563393913 /nfs/dbraw/zinc/39/39/13/563393913.db2.gz NULQFNFEMLBJCD-UHFFFAOYSA-N 1 0 304.393 3.571 50 0 DHAARO Cc1ccccc1CN1CC[N@@H+](C2CCCCCC2)CCC1=O ZINC000014967387 563404487 /nfs/dbraw/zinc/40/44/87/563404487.db2.gz GSGHFJIOWMXQJV-UHFFFAOYSA-N 1 0 314.473 3.752 50 0 DHAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000015073093 563406729 /nfs/dbraw/zinc/40/67/29/563406729.db2.gz OEUUCHHEQKQUJC-CYBMUJFWSA-N 1 0 309.500 3.847 50 0 DHAARO Cc1c2c(cc3c1[C@H](n1ccc4ccccc41)[N@H+](C)CC3)OCO2 ZINC000015107699 563407818 /nfs/dbraw/zinc/40/78/18/563407818.db2.gz BOVMWYXULVNIRA-FQEVSTJZSA-N 1 0 320.392 3.713 50 0 DHAARO Cc1ccc(NC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000015240429 563408378 /nfs/dbraw/zinc/40/83/78/563408378.db2.gz YCRSHLANMADACD-RDJZCZTQSA-N 1 0 302.418 3.808 50 0 DHAARO Cc1ccc(F)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000032901676 563410357 /nfs/dbraw/zinc/41/03/57/563410357.db2.gz ZOYHIKSQNUCXKG-UHFFFAOYSA-N 1 0 312.388 3.982 50 0 DHAARO COc1ccccc1N1CC[NH+](C2CCCCCCC2)CC1 ZINC000023283200 563419866 /nfs/dbraw/zinc/41/98/66/563419866.db2.gz POBOGEUZMFGIQX-UHFFFAOYSA-N 1 0 302.462 3.930 50 0 DHAARO Cc1nccn1CCCC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000069896849 563420415 /nfs/dbraw/zinc/42/04/15/563420415.db2.gz LRPXLILKAVFUBB-IBGZPJMESA-N 1 0 311.429 3.629 50 0 DHAARO O=C(c1ccccc1)[C@@H]1CCC[C@@H](C[C@@H](O)c2ccccc2)[NH2+]1 ZINC000025559159 563423647 /nfs/dbraw/zinc/42/36/47/563423647.db2.gz CNWKJIFYKGLTLI-GBESFXJTSA-N 1 0 309.409 3.504 50 0 DHAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2nc3ccccc3s2)c1 ZINC000072269834 563428098 /nfs/dbraw/zinc/42/80/98/563428098.db2.gz CKVKDJOPQLRVIX-CHWSQXEVSA-N 1 0 300.431 3.541 50 0 DHAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccco2)c2cccs2)CC1 ZINC000027573567 563428235 /nfs/dbraw/zinc/42/82/35/563428235.db2.gz JEUYGMIBMGIKLV-AWEZNQCLSA-N 1 0 318.442 3.544 50 0 DHAARO Cc1ccc([C@@H](CNC(=O)CC(C)C)[NH+]2CCCCC2)cc1 ZINC000027583961 563428631 /nfs/dbraw/zinc/42/86/31/563428631.db2.gz YMYGBELISPTPPX-GOSISDBHSA-N 1 0 302.462 3.684 50 0 DHAARO Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793171 563429989 /nfs/dbraw/zinc/42/99/89/563429989.db2.gz GHEHQBHESAZOPN-FQEVSTJZSA-N 1 0 322.452 3.870 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+]Cc2ccccc2)c2ccc(C)cc12 ZINC000028297089 563431300 /nfs/dbraw/zinc/43/13/00/563431300.db2.gz MPZAGZWOMAQZPD-LJQANCHMSA-N 1 0 322.452 3.717 50 0 DHAARO Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028292035 563431502 /nfs/dbraw/zinc/43/15/02/563431502.db2.gz FBGONEOAMHOCKW-FQEVSTJZSA-N 1 0 322.452 3.952 50 0 DHAARO O=C(CCc1ccccc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177340 563433960 /nfs/dbraw/zinc/43/39/60/563433960.db2.gz ZQQUWHWNASOVKL-HXUWFJFHSA-N 1 0 322.452 3.573 50 0 DHAARO C[C@H](Nc1nc(C(F)F)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000072284378 563434378 /nfs/dbraw/zinc/43/43/78/563434378.db2.gz RPVXTMQJJDARPW-NSHDSACASA-N 1 0 320.387 3.710 50 0 DHAARO COc1ccc(C[NH2+]Cc2cccnc2)cc1OC1CCCC1 ZINC000032228128 563442125 /nfs/dbraw/zinc/44/21/25/563442125.db2.gz YCFVUBCOCYKNAZ-UHFFFAOYSA-N 1 0 312.413 3.701 50 0 DHAARO CC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000000214745 563446982 /nfs/dbraw/zinc/44/69/82/563446982.db2.gz HKYLOUGVTGSBTD-NRFANRHFSA-N 1 0 322.452 3.571 50 0 DHAARO C[C@@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000002686918 563449126 /nfs/dbraw/zinc/44/91/26/563449126.db2.gz MEFYHBGGTGOIRY-KDOFPFPSSA-N 1 0 319.832 3.568 50 0 DHAARO C[NH+](C)CCCN1c2c3c(sc2CCCCC1=O)CCCC3 ZINC000004956331 563450319 /nfs/dbraw/zinc/45/03/19/563450319.db2.gz BWPBAQBIBCBHAG-UHFFFAOYSA-N 1 0 320.502 3.638 50 0 DHAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1F ZINC000075132236 563459258 /nfs/dbraw/zinc/45/92/58/563459258.db2.gz AEHVWZXPZCSPHY-INIZCTEOSA-N 1 0 317.408 3.522 50 0 DHAARO Clc1ccccc1OCC[NH2+]CCCOc1ccccc1 ZINC000013766770 563469709 /nfs/dbraw/zinc/46/97/09/563469709.db2.gz BQBVMBGNTSPRNK-UHFFFAOYSA-N 1 0 305.805 3.778 50 0 DHAARO COc1ccccc1/C=C/C[N@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000055060992 563471109 /nfs/dbraw/zinc/47/11/09/563471109.db2.gz FTCIOEHKIZUAQY-UGAXZCSASA-N 1 0 310.441 3.975 50 0 DHAARO CC[C@H](C)[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccncc1 ZINC000055166953 563471582 /nfs/dbraw/zinc/47/15/82/563471582.db2.gz AOZFFAPGQSNPFO-AWEZNQCLSA-N 1 0 310.401 3.865 50 0 DHAARO CC[C@@H](CO)[N@H+](C/C=C/c1ccccc1OC)Cc1ccco1 ZINC000055211984 563472745 /nfs/dbraw/zinc/47/27/45/563472745.db2.gz AWGPQZNHGOXHSY-NADMHLTPSA-N 1 0 315.413 3.575 50 0 DHAARO CCc1ccc(CN(CC[NH+](C)C)Cc2ccc(C)s2)nc1 ZINC000055226440 563472832 /nfs/dbraw/zinc/47/28/32/563472832.db2.gz LCYQWWJVSJAMGA-UHFFFAOYSA-N 1 0 317.502 3.578 50 0 DHAARO Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000055254461 563472921 /nfs/dbraw/zinc/47/29/21/563472921.db2.gz VXKQQDKQKVJLPS-OAHLLOKOSA-N 1 0 300.427 3.546 50 0 DHAARO CCCN(Cc1nc2ccccc2[nH]1)Cc1ccccc1OC ZINC000055369865 563474425 /nfs/dbraw/zinc/47/44/25/563474425.db2.gz RFNTWNCRWSVRKP-UHFFFAOYSA-N 1 0 309.413 3.984 50 0 DHAARO CC[C@@H](C)[N@H+](Cc1ccc(NC(C)=O)cc1)Cc1cccnc1 ZINC000055404426 563475569 /nfs/dbraw/zinc/47/55/69/563475569.db2.gz AMMBNWUKKTYDQV-OAHLLOKOSA-N 1 0 311.429 3.841 50 0 DHAARO Cc1ccsc1CN(CC[NH+](C)C)Cc1sccc1C ZINC000055568765 563476295 /nfs/dbraw/zinc/47/62/95/563476295.db2.gz CCFDQDNXLOYPHB-UHFFFAOYSA-N 1 0 308.516 3.990 50 0 DHAARO CCOc1ccccc1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000055542968 563476535 /nfs/dbraw/zinc/47/65/35/563476535.db2.gz WGWOKZGQEJLCQC-UHFFFAOYSA-N 1 0 310.441 3.716 50 0 DHAARO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCc2ncc(C)s2)cc1 ZINC000095423297 563477361 /nfs/dbraw/zinc/47/73/61/563477361.db2.gz VRDJJHUMCQFDFW-KBPBESRZSA-N 1 0 304.459 3.784 50 0 DHAARO C[N@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000096443457 563482958 /nfs/dbraw/zinc/48/29/58/563482958.db2.gz SXCQNQHUJDUUMR-BBWFWOEESA-N 1 0 312.413 3.587 50 0 DHAARO CCC(CC)(CC)CNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000096468960 563483545 /nfs/dbraw/zinc/48/35/45/563483545.db2.gz XFPGCGMAEIOHQJ-CQSZACIVSA-N 1 0 306.454 3.515 50 0 DHAARO FC(F)(F)[C@H]1CCCn2c(C[NH2+]C3CCCCCC3)nnc21 ZINC000089818911 563484470 /nfs/dbraw/zinc/48/44/70/563484470.db2.gz WJPJXKXVDLIUOF-LBPRGKRZSA-N 1 0 316.371 3.530 50 0 DHAARO c1nc(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000096480637 563484681 /nfs/dbraw/zinc/48/46/81/563484681.db2.gz RPNJOXYCUKRWKE-HNNXBMFYSA-N 1 0 300.427 3.722 50 0 DHAARO CC(C)C[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1cccs1 ZINC000096491607 563485306 /nfs/dbraw/zinc/48/53/06/563485306.db2.gz DJAOZYWLEKUVOQ-HNNXBMFYSA-N 1 0 323.506 3.571 50 0 DHAARO Cc1nc(C)c(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)s1 ZINC000096486377 563485662 /nfs/dbraw/zinc/48/56/62/563485662.db2.gz ZATPWJOVCLIQBD-MEBBXXQBSA-N 1 0 308.422 3.501 50 0 DHAARO Cc1ccnc([C@@H](NC2CC[NH+](CC(C)C)CC2)C2CC2)c1 ZINC000067641111 563487717 /nfs/dbraw/zinc/48/77/17/563487717.db2.gz RUBCXXZCBUTVBL-IBGZPJMESA-N 1 0 301.478 3.551 50 0 DHAARO C[NH+]1CCC(c2nccn2CCc2ccccc2Cl)CC1 ZINC000067674985 563488545 /nfs/dbraw/zinc/48/85/45/563488545.db2.gz KFVNYVPGUBKVMR-UHFFFAOYSA-N 1 0 303.837 3.588 50 0 DHAARO COc1ccc(F)cc1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000067804906 563491594 /nfs/dbraw/zinc/49/15/94/563491594.db2.gz ASNAIQXFMXXDGM-AWEZNQCLSA-N 1 0 315.388 3.895 50 0 DHAARO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC(C)C)C2 ZINC000067850756 563492321 /nfs/dbraw/zinc/49/23/21/563492321.db2.gz FTSHTMLRUAELSH-QPUGPGLDSA-N 1 0 306.494 3.703 50 0 DHAARO CC(C)=CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000067872108 563493107 /nfs/dbraw/zinc/49/31/07/563493107.db2.gz ZQTVJNKCFJBLAV-IBGZPJMESA-N 1 0 314.473 3.598 50 0 DHAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000077353897 563509333 /nfs/dbraw/zinc/50/93/33/563509333.db2.gz YAZYJBSXZNMFHI-INIZCTEOSA-N 1 0 312.413 3.543 50 0 DHAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCC2(CCCC2)C1 ZINC000095365322 563529554 /nfs/dbraw/zinc/52/95/54/563529554.db2.gz MGBHEYCVISSFNP-GOSISDBHSA-N 1 0 312.457 3.560 50 0 DHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1Cl)C2 ZINC000095375246 563529919 /nfs/dbraw/zinc/52/99/19/563529919.db2.gz NMMLEPHAOTTWBK-ZIAGYGMSSA-N 1 0 321.852 3.678 50 0 DHAARO O[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000097243897 563538601 /nfs/dbraw/zinc/53/86/01/563538601.db2.gz FBBOGDYMCODYSV-LJQANCHMSA-N 1 0 311.425 3.612 50 0 DHAARO Cc1ccc(C[N@@H+](C)Cc2ccc(CCC(C)(C)O)cc2)o1 ZINC000097569034 563540508 /nfs/dbraw/zinc/54/05/08/563540508.db2.gz NITBAVZYYHUFAX-UHFFFAOYSA-N 1 0 301.430 3.924 50 0 DHAARO C[NH+](C)Cc1ccccc1-c1ccc(N2CCCCCC2)nn1 ZINC000097742719 563541989 /nfs/dbraw/zinc/54/19/89/563541989.db2.gz WQHOJDJAGWBJMH-UHFFFAOYSA-N 1 0 310.445 3.586 50 0 DHAARO Cc1cncnc1C1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC000097772976 563542576 /nfs/dbraw/zinc/54/25/76/563542576.db2.gz FWZJEAQZDXIOJR-UHFFFAOYSA-N 1 0 320.440 3.656 50 0 DHAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(O)c3)c2c1 ZINC000000144086 563573214 /nfs/dbraw/zinc/57/32/14/563573214.db2.gz JZWRXWQCJGWFRE-UHFFFAOYSA-N 1 0 308.337 3.779 50 0 DHAARO C[C@@H]1C[C@H](Nc2ccccc2OCC(F)(F)F)CC[N@@H+]1C ZINC000127858507 563583432 /nfs/dbraw/zinc/58/34/32/563583432.db2.gz XCCGGIRRAMMMSR-VXGBXAGGSA-N 1 0 302.340 3.522 50 0 DHAARO OC[C@H]1CCCCC[C@H]1[NH2+]Cc1ccn(Cc2ccccc2)c1 ZINC000126637657 563603950 /nfs/dbraw/zinc/60/39/50/563603950.db2.gz KZPDRXAOTNZSII-WOJBJXKFSA-N 1 0 312.457 3.567 50 0 DHAARO Cc1ccc(-c2c(C)n(O)c(C)c(-c3ccccc3)[n+]2=O)cc1 ZINC000136553702 563622945 /nfs/dbraw/zinc/62/29/45/563622945.db2.gz MQKUKIZZFIKPFN-UHFFFAOYSA-N 1 0 307.373 3.899 50 0 DHAARO Cc1ccc(N2C(=O)[C@@H](C[NH+]3CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000005541459 563623721 /nfs/dbraw/zinc/62/37/21/563623721.db2.gz WZTQWILGFCKYHD-PMACEKPBSA-N 1 0 320.436 3.795 50 0 DHAARO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCCCC1 ZINC000000463085 563630911 /nfs/dbraw/zinc/63/09/11/563630911.db2.gz CIIGDFNHZWGKAH-IBGZPJMESA-N 1 0 311.425 3.579 50 0 DHAARO Cc1cccc(C)c1NC(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000583651153 563651629 /nfs/dbraw/zinc/65/16/29/563651629.db2.gz IFZQQOUOKNKASK-IRXDYDNUSA-N 1 0 317.477 3.888 50 0 DHAARO COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000014199679 563665642 /nfs/dbraw/zinc/66/56/42/563665642.db2.gz KZHRCVRFVHWLAU-UHFFFAOYSA-N 1 0 321.424 3.788 50 0 DHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1oc2c(cccc2Cl)c1C ZINC000044571135 563684444 /nfs/dbraw/zinc/68/44/44/563684444.db2.gz XXLDMNFKSSJKEB-GFCCVEGCSA-N 1 0 320.820 3.609 50 0 DHAARO CC(C)CC[C@@]1(CC[NH+]2CCOCC2)CCO[C@@H](C(C)C)C1 ZINC000049762650 563702427 /nfs/dbraw/zinc/70/24/27/563702427.db2.gz WJJUOFFEYGAKBZ-RTBURBONSA-N 1 0 311.510 3.966 50 0 DHAARO CSc1cccc(C[N@H+](C)Cc2ccc(N(C)C)nc2)c1 ZINC000215202093 563704781 /nfs/dbraw/zinc/70/47/81/563704781.db2.gz GCGYURYQJAZDFE-UHFFFAOYSA-N 1 0 301.459 3.502 50 0 DHAARO CC(=O)NCc1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nc1 ZINC000215504276 563705306 /nfs/dbraw/zinc/70/53/06/563705306.db2.gz OKYMQQSXQVMHPZ-HNNXBMFYSA-N 1 0 323.440 3.542 50 0 DHAARO Cc1ccccc1-c1cccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1 ZINC000215601546 563706252 /nfs/dbraw/zinc/70/62/52/563706252.db2.gz YKAQAESAUOYTFP-LJQANCHMSA-N 1 0 322.452 3.892 50 0 DHAARO CN(CC[C@H]1CCCCO1)Cc1c(Cl)cncc1Cl ZINC000216364416 563709262 /nfs/dbraw/zinc/70/92/62/563709262.db2.gz DXXQNZNKFXOIDC-LLVKDONJSA-N 1 0 303.233 3.779 50 0 DHAARO Clc1cnccc1C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC000216406002 563709726 /nfs/dbraw/zinc/70/97/26/563709726.db2.gz MQTINELEBBDRHM-UHFFFAOYSA-N 1 0 313.832 3.694 50 0 DHAARO C[C@H]([NH2+]CCOC[C@H]1CCCO1)C1(c2ccccc2)CCCC1 ZINC000225407474 563753943 /nfs/dbraw/zinc/75/39/43/563753943.db2.gz HQFZEECYLGEPCI-PKOBYXMFSA-N 1 0 317.473 3.672 50 0 DHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000030662027 563763605 /nfs/dbraw/zinc/76/36/05/563763605.db2.gz INLZZKNSPOOZFG-HUUCEWRRSA-N 1 0 314.351 3.856 50 0 DHAARO C[N@H+](Cc1nc(Cl)ccc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096012992 563775051 /nfs/dbraw/zinc/77/50/51/563775051.db2.gz FAXDSRUDOPEUIA-FZQKWOKYSA-N 1 0 315.244 3.634 50 0 DHAARO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000241121747 563776657 /nfs/dbraw/zinc/77/66/57/563776657.db2.gz JDQWVTNSQMTIOX-GTNSWQLSSA-N 1 0 309.331 3.970 50 0 DHAARO CC[NH+]1CCC(NC(=O)N2CCCC3(CCCCC3)CC2)CC1 ZINC000242346863 563778433 /nfs/dbraw/zinc/77/84/33/563778433.db2.gz ZJTVACMZWMCLCA-UHFFFAOYSA-N 1 0 321.509 3.617 50 0 DHAARO c1ccc(CC[N@@H+](Cc2ccccn2)C[C@@H]2CCCOC2)cc1 ZINC000244708015 563779116 /nfs/dbraw/zinc/77/91/16/563779116.db2.gz KLZGOAVWWPCUCV-IBGZPJMESA-N 1 0 310.441 3.553 50 0 DHAARO CC[C@H](CO)[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248124357 563782675 /nfs/dbraw/zinc/78/26/75/563782675.db2.gz WLAHKSSZFOGAAR-LJQANCHMSA-N 1 0 322.452 3.859 50 0 DHAARO Cc1ccccc1Cn1cc(C[NH2+]CCCCO)c2ccccc21 ZINC000248174758 563782896 /nfs/dbraw/zinc/78/28/96/563782896.db2.gz YNMGOOKBLYWLGH-UHFFFAOYSA-N 1 0 322.452 3.860 50 0 DHAARO CC[C@H](CO)[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248171343 563782980 /nfs/dbraw/zinc/78/29/80/563782980.db2.gz WHSRLTNINOMQOI-LJQANCHMSA-N 1 0 322.452 3.859 50 0 DHAARO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000034996000 563795451 /nfs/dbraw/zinc/79/54/51/563795451.db2.gz TYPSIPXFCMDRKB-JTQLQIEISA-N 1 0 315.244 3.655 50 0 DHAARO Cc1cccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1C ZINC000012525405 563797637 /nfs/dbraw/zinc/79/76/37/563797637.db2.gz ASGYYOAKSIGYQE-INIZCTEOSA-N 1 0 319.408 3.980 50 0 DHAARO Cc1ccccc1[C@](O)(Cc1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000001259765 563809945 /nfs/dbraw/zinc/80/99/45/563809945.db2.gz FPDWKSDUHWWBCL-FGZHOGPDSA-N 1 0 321.464 3.767 50 0 DHAARO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000084148700 563824331 /nfs/dbraw/zinc/82/43/31/563824331.db2.gz QYBFIDPEFVGDFE-UZLBHIALSA-N 1 0 321.424 3.565 50 0 DHAARO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)NCc1cccs1 ZINC000012900276 563853191 /nfs/dbraw/zinc/85/31/91/563853191.db2.gz BGRGOKOVTSEWIK-VXGBXAGGSA-N 1 0 322.861 3.757 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000575608591 563865036 /nfs/dbraw/zinc/86/50/36/563865036.db2.gz ORLUAKQPPLQENK-GDBMZVCRSA-N 1 0 312.413 3.508 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000053720493 563866295 /nfs/dbraw/zinc/86/62/95/563866295.db2.gz OJWJTQGHOSAVSF-OAHLLOKOSA-N 1 0 309.413 3.708 50 0 DHAARO COc1ccccc1-c1noc([C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000191157454 563871417 /nfs/dbraw/zinc/87/14/17/563871417.db2.gz CMZACAIKCXPTHJ-UPJWGTAASA-N 1 0 301.390 3.679 50 0 DHAARO COc1ccccc1-c1noc([C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000191157418 563871429 /nfs/dbraw/zinc/87/14/29/563871429.db2.gz CMZACAIKCXPTHJ-XQQFMLRXSA-N 1 0 301.390 3.679 50 0 DHAARO Oc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000244858531 563881301 /nfs/dbraw/zinc/88/13/01/563881301.db2.gz VMXHNZZITIRHFY-PMACEKPBSA-N 1 0 314.473 3.621 50 0 DHAARO Cc1ccccc1-c1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000244724710 563881397 /nfs/dbraw/zinc/88/13/97/563881397.db2.gz MZFOPYIPOZVKGQ-FQEVSTJZSA-N 1 0 306.453 3.942 50 0 DHAARO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000089310054 563884809 /nfs/dbraw/zinc/88/48/09/563884809.db2.gz WJDABNWSGRIIQQ-DZGCQCFKSA-N 1 0 318.852 3.892 50 0 DHAARO COc1ccc(C[NH2+]Cc2cc[nH]c2)c(OC2CCCC2)c1 ZINC000089434904 563887213 /nfs/dbraw/zinc/88/72/13/563887213.db2.gz DBFXKLQUFMZPAG-UHFFFAOYSA-N 1 0 300.402 3.635 50 0 DHAARO c1csc(N2CCC[N@@H+]([C@H]3CCCc4ccccc43)CC2)n1 ZINC000064401583 563887775 /nfs/dbraw/zinc/88/77/75/563887775.db2.gz DIBIIPNEWVIFBK-KRWDZBQOSA-N 1 0 313.470 3.733 50 0 DHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)C(C)C)cc1OC ZINC000036096121 563892692 /nfs/dbraw/zinc/89/26/92/563892692.db2.gz CMIIETKPKALUBQ-KRWDZBQOSA-N 1 0 323.477 3.569 50 0 DHAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@H](O)COC(C)(C)C ZINC000036096684 563893499 /nfs/dbraw/zinc/89/34/99/563893499.db2.gz KMRUVFBEOBTVDP-HNNXBMFYSA-N 1 0 313.507 3.772 50 0 DHAARO CCC[N@@H+](Cc1cccs1)C[C@@H](O)COCc1ccccc1 ZINC000036096617 563893504 /nfs/dbraw/zinc/89/35/04/563893504.db2.gz YXEISEMAYRVOJO-QGZVFWFLSA-N 1 0 319.470 3.538 50 0 DHAARO CC(C)CC[N@@H+](Cc1ccsc1)C[C@H](O)COCC(C)C ZINC000036099603 563893849 /nfs/dbraw/zinc/89/38/49/563893849.db2.gz YRUQNNXKFLLCML-KRWDZBQOSA-N 1 0 313.507 3.630 50 0 DHAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)C1)c1cccc2ccccc21 ZINC000007340726 563905509 /nfs/dbraw/zinc/90/55/09/563905509.db2.gz PMKGCAPOHFZFLU-CVEARBPZSA-N 1 0 310.441 3.749 50 0 DHAARO O=C(Nc1ccccc1)c1ccccc1OCC[NH+]1CCCCC1 ZINC000170594741 563906925 /nfs/dbraw/zinc/90/69/25/563906925.db2.gz LUQQZIILVCLZHS-UHFFFAOYSA-N 1 0 324.424 3.804 50 0 DHAARO C[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCC1 ZINC000170619319 563908585 /nfs/dbraw/zinc/90/85/85/563908585.db2.gz HVAIDZXGZSMRFW-UHFFFAOYSA-N 1 0 314.401 3.814 50 0 DHAARO Clc1cc(C[NH2+]Cc2cccs2)cc2c1OCCCO2 ZINC000037301274 563908608 /nfs/dbraw/zinc/90/86/08/563908608.db2.gz UUVXEPJMWGBBOJ-UHFFFAOYSA-N 1 0 309.818 3.853 50 0 DHAARO Cc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000013322873 563909540 /nfs/dbraw/zinc/90/95/40/563909540.db2.gz FKICJSSRXWHDKY-UHFFFAOYSA-N 1 0 321.852 3.741 50 0 DHAARO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccccn3)s2)c1 ZINC000089884668 563911964 /nfs/dbraw/zinc/91/19/64/563911964.db2.gz ZQHCVWPYLKEHAN-INIZCTEOSA-N 1 0 310.426 3.870 50 0 DHAARO CC[C@H]([NH2+]Cc1cccc2c[nH]nc21)c1ccc2c(c1)OCCO2 ZINC000089947852 563912518 /nfs/dbraw/zinc/91/25/18/563912518.db2.gz WVFAOOIHEKPPBM-INIZCTEOSA-N 1 0 323.396 3.575 50 0 DHAARO CC[C@H](C)[NH2+]CCOc1ccc(Cl)cc1Br ZINC000002823506 563913093 /nfs/dbraw/zinc/91/30/93/563913093.db2.gz BQEULKNBMRWJAB-VIFPVBQESA-N 1 0 306.631 3.869 50 0 DHAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000007923702 563921182 /nfs/dbraw/zinc/92/11/82/563921182.db2.gz PMNRIGZZPGUKIB-UHFFFAOYSA-N 1 0 308.425 3.521 50 0 DHAARO C[NH2+]CCN(C)C(=O)c1cccc(-c2ccc(C)cc2Cl)c1 ZINC000584894892 563925545 /nfs/dbraw/zinc/92/55/45/563925545.db2.gz WTXWBUDAIDGBCB-UHFFFAOYSA-N 1 0 316.832 3.607 50 0 DHAARO Fc1ccc(OCC[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC000064794014 563927476 /nfs/dbraw/zinc/92/74/76/563927476.db2.gz GWZXNEGOWSQTSR-UHFFFAOYSA-N 1 0 315.388 3.748 50 0 DHAARO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@H](O)c1ccccc1 ZINC000020312716 563930899 /nfs/dbraw/zinc/93/08/99/563930899.db2.gz HTMPOPZDCKLWDK-WBMJQRKESA-N 1 0 309.331 3.917 50 0 DHAARO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1C ZINC000095420348 563931285 /nfs/dbraw/zinc/93/12/85/563931285.db2.gz XBHCFFVUNZWADV-AWEZNQCLSA-N 1 0 323.444 3.556 50 0 DHAARO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1nc2ccccc2s1 ZINC000095968350 563933140 /nfs/dbraw/zinc/93/31/40/563933140.db2.gz RFEAHHHXQUKTMJ-ZBEGNZNMSA-N 1 0 318.467 3.916 50 0 DHAARO c1ccc(N[C@@H]2CCCN(c3cc(OCC4CC4)cc[nH+]3)C2)cc1 ZINC000096006395 563934734 /nfs/dbraw/zinc/93/47/34/563934734.db2.gz KIISDFLMTOUXHE-GOSISDBHSA-N 1 0 323.440 3.951 50 0 DHAARO CCCC[NH2+]C[C@@H]1COc2c(-c3ccccc3)cccc2C1=O ZINC000096026754 563935126 /nfs/dbraw/zinc/93/51/26/563935126.db2.gz WEIOTOMWCNMXFY-MRXNPFEDSA-N 1 0 309.409 3.935 50 0 DHAARO COc1ccc(CC[NH2+]Cc2cc3ccccc3o2)cc1OC ZINC000096027692 563935173 /nfs/dbraw/zinc/93/51/73/563935173.db2.gz RXVBUYKRTLVJGO-UHFFFAOYSA-N 1 0 311.381 3.782 50 0 DHAARO C[C@]1(CC(=O)Nc2ccccc2)[NH2+]CCc2c3ccccc3[nH]c21 ZINC000096028086 563935370 /nfs/dbraw/zinc/93/53/70/563935370.db2.gz OVVJGBCTEJFQJK-HXUWFJFHSA-N 1 0 319.408 3.558 50 0 DHAARO CS[C@H]1CC[C@@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000096494371 563937398 /nfs/dbraw/zinc/93/73/98/563937398.db2.gz KZVRWVVVBBOMBH-NEPJUHHUSA-N 1 0 307.488 3.647 50 0 DHAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]CCc1cccnc1 ZINC000097159834 563937878 /nfs/dbraw/zinc/93/78/78/563937878.db2.gz NSUQRIKGYLZKEX-UHFFFAOYSA-N 1 0 318.380 3.550 50 0 DHAARO Cc1cc(C)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c(C)c1 ZINC000003194188 563942849 /nfs/dbraw/zinc/94/28/49/563942849.db2.gz CITKQVBWORSVBS-MJGOQNOKSA-N 1 0 313.441 3.702 50 0 DHAARO c1sc(C[NH2+]C2CCOCC2)cc1COc1ccccc1 ZINC000670435240 563943568 /nfs/dbraw/zinc/94/35/68/563943568.db2.gz HQTYHFCSKKKYPW-UHFFFAOYSA-N 1 0 303.427 3.596 50 0 DHAARO c1cc2c(ncnc2NC[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000007980161 563945918 /nfs/dbraw/zinc/94/59/18/563945918.db2.gz ZZFYXEYVPKNIQU-MRXNPFEDSA-N 1 0 324.453 3.940 50 0 DHAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@H+]1CCCC[C@@H]1C ZINC000008717518 563950138 /nfs/dbraw/zinc/95/01/38/563950138.db2.gz VDIXKLWYADCFJZ-ZDUSSCGKSA-N 1 0 313.445 3.689 50 0 DHAARO CCC[NH+](CCC)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717510 563950191 /nfs/dbraw/zinc/95/01/91/563950191.db2.gz WXJZSQGQINYOKA-UHFFFAOYSA-N 1 0 315.461 3.937 50 0 DHAARO O=C(Nc1ccccc1O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000008723828 563950201 /nfs/dbraw/zinc/95/02/01/563950201.db2.gz QPCRISBWHMZTGN-UHFFFAOYSA-N 1 0 310.397 3.630 50 0 DHAARO O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000067813685 563950275 /nfs/dbraw/zinc/95/02/75/563950275.db2.gz OZBILATVXWOPSI-VQTJNVASSA-N 1 0 320.436 3.568 50 0 DHAARO O=C(NOCc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000008993935 563951818 /nfs/dbraw/zinc/95/18/18/563951818.db2.gz SIYLJVNALDVJFM-UHFFFAOYSA-N 1 0 324.424 3.534 50 0 DHAARO C[C@@H](c1cccc(F)c1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000069324583 563952283 /nfs/dbraw/zinc/95/22/83/563952283.db2.gz KYIQRMMOZPZMET-AWEZNQCLSA-N 1 0 324.403 3.809 50 0 DHAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000245253799 563952288 /nfs/dbraw/zinc/95/22/88/563952288.db2.gz FWSHCMODWGVIGW-ZKXLYKBJSA-N 1 0 311.510 3.842 50 0 DHAARO CCC[C@@H](C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000069670224 563954128 /nfs/dbraw/zinc/95/41/28/563954128.db2.gz IAUJYJZCZLNYLC-CQSZACIVSA-N 1 0 308.491 3.513 50 0 DHAARO c1coc(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000009467479 563956147 /nfs/dbraw/zinc/95/61/47/563956147.db2.gz MNSLFPYRBUVZQZ-UHFFFAOYSA-N 1 0 303.365 3.908 50 0 DHAARO C[N@H+](CCCNc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000009726740 563957465 /nfs/dbraw/zinc/95/74/65/563957465.db2.gz KDWGZYGPGLOIRB-UHFFFAOYSA-N 1 0 314.433 3.803 50 0 DHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000010045335 563958173 /nfs/dbraw/zinc/95/81/73/563958173.db2.gz AVCYXRKRGKMSCJ-MJGOQNOKSA-N 1 0 324.399 3.582 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000010328164 563958478 /nfs/dbraw/zinc/95/84/78/563958478.db2.gz BUADKQDGOCCPMJ-HXUWFJFHSA-N 1 0 318.420 3.873 50 0 DHAARO CC(C)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000025702193 568412697 /nfs/dbraw/zinc/41/26/97/568412697.db2.gz ORXJTLLHQRHJGB-INIZCTEOSA-N 1 0 316.470 3.904 50 0 DHAARO C[C@H](Cc1ccccc1)[NH2+]CCC[NH2+][C@H](C)Cc1ccccc1 ZINC000003058779 568416769 /nfs/dbraw/zinc/41/67/69/568416769.db2.gz XDCNUKURGSLYKZ-RTBURBONSA-N 1 0 310.485 3.818 50 0 DHAARO CC1=C(CC[N@H+]2CCN(C(C)C)[C@H](CCO)C2)C(C)(C)CCC1 ZINC000038149261 1013860160 /nfs/dbraw/zinc/86/01/60/1013860160.db2.gz KFDIJWYEMTYRGK-GOSISDBHSA-N 1 0 322.537 3.680 50 0 DHAARO Clc1ccc(OCCOCC[NH+]2CCCC2)c2ccccc12 ZINC000004472839 1013877808 /nfs/dbraw/zinc/87/78/08/1013877808.db2.gz AQFUMQRRJIYPBX-UHFFFAOYSA-N 1 0 319.832 3.984 50 0 DHAARO Cc1ccc(-c2nnc(NCC[NH+](C)C)c3ccccc32)cc1 ZINC000033012214 1013964133 /nfs/dbraw/zinc/96/41/33/1013964133.db2.gz OGIRLFCPTPTMAA-UHFFFAOYSA-N 1 0 306.413 3.579 50 0 DHAARO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(C(F)F)nc1 ZINC000850448151 1032518082 /nfs/dbraw/zinc/51/80/82/1032518082.db2.gz QLAVDRUIMQMSLP-KPZWWZAWSA-N 1 0 318.367 3.504 50 0 DHAARO Cc1ccc(NCCC[NH2+]Cc2ccc(Cl)c(F)c2)nc1 ZINC000952861061 1032664240 /nfs/dbraw/zinc/66/42/40/1032664240.db2.gz XNEJSCPUPVCASD-UHFFFAOYSA-N 1 0 307.800 3.774 50 0 DHAARO CCn1c(C)cc2cc(NC(=O)[C@H]([NH3+])c3ccccc3)ccc21 ZINC000952962537 1032672119 /nfs/dbraw/zinc/67/21/19/1032672119.db2.gz GCNBYVZMSQPKSW-GOSISDBHSA-N 1 0 307.397 3.608 50 0 DHAARO Fc1ccccc1OCC[NH2+]Cc1ccc([C@H]2CCCCO2)o1 ZINC000952978702 1032678771 /nfs/dbraw/zinc/67/87/71/1032678771.db2.gz SCIAYLLJKCUYPJ-QGZVFWFLSA-N 1 0 319.376 3.829 50 0 DHAARO c1nn2cccnc2c1C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000952971606 1032675654 /nfs/dbraw/zinc/67/56/54/1032675654.db2.gz KPNFJCMJNIHFDS-LJQANCHMSA-N 1 0 320.440 3.717 50 0 DHAARO CC(C)/C=C(\C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC000952974211 1032676168 /nfs/dbraw/zinc/67/61/68/1032676168.db2.gz TUDKAYYYJXDBBV-HNMKQIAWSA-N 1 0 314.473 3.704 50 0 DHAARO CSc1cccc(C[NH2+]CCCn2ccnc2C(C)C)c1 ZINC000952976302 1032677884 /nfs/dbraw/zinc/67/78/84/1032677884.db2.gz KBXADJKNBODXPL-UHFFFAOYSA-N 1 0 303.475 3.908 50 0 DHAARO O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000952985467 1032680802 /nfs/dbraw/zinc/68/08/02/1032680802.db2.gz SQLDPJKZWHTILV-MRXNPFEDSA-N 1 0 319.408 3.658 50 0 DHAARO COc1ccc(-n2cccn2)c(C[NH2+][C@@H](C)C2=CCCCC2)c1 ZINC000952986857 1032682106 /nfs/dbraw/zinc/68/21/06/1032682106.db2.gz IVLOLFULSZTPGN-HNNXBMFYSA-N 1 0 311.429 3.859 50 0 DHAARO CC[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(OC)c(COC)c1 ZINC000952989603 1032686563 /nfs/dbraw/zinc/68/65/63/1032686563.db2.gz RGMOYFPCIMMRJO-SFHVURJKSA-N 1 0 314.429 3.820 50 0 DHAARO [NH3+]CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000004909040 1017439106 /nfs/dbraw/zinc/43/91/06/1017439106.db2.gz SQTAPPOMKRHHLQ-UHFFFAOYSA-N 1 0 304.802 3.818 50 0 DHAARO Cc1ccnc(C2CC[NH+](Cc3cnc4ccccc4c3)CC2)n1 ZINC000371888172 1018859796 /nfs/dbraw/zinc/85/97/96/1018859796.db2.gz MXPVVSKDMKSQBK-UHFFFAOYSA-N 1 0 318.424 3.713 50 0 DHAARO Cn1cc(C[NH2+]Cc2ccc3[nH]c4c(c3c2)CCCCCC4)cn1 ZINC000011873239 1019448012 /nfs/dbraw/zinc/44/80/12/1019448012.db2.gz SOEGRYAOKCISGR-UHFFFAOYSA-N 1 0 322.456 3.850 50 0 DHAARO Clc1ccc(-c2noc(C[N@@H+]3C[C@H]4C[C@@H]3CCC4)n2)cc1 ZINC000012432949 1019945526 /nfs/dbraw/zinc/94/55/26/1019945526.db2.gz DIRGTPYMRBRJFW-RISCZKNCSA-N 1 0 303.793 3.764 50 0 DHAARO CCCCCc1nc([C@@H]2CCC[C@H]([NH3+])C2)n(CC(F)(F)F)n1 ZINC000822859043 1020370373 /nfs/dbraw/zinc/37/03/73/1020370373.db2.gz LFYIJMUXFOVVDH-NEPJUHHUSA-N 1 0 318.387 3.558 50 0 DHAARO C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1cccc(O)c1 ZINC000253433488 1020379506 /nfs/dbraw/zinc/37/95/06/1020379506.db2.gz XOFYQZRSPTUNOH-CQSZACIVSA-N 1 0 316.470 3.769 50 0 DHAARO COCCC1(C[NH2+][C@@H]2CCCc3c(OC)cccc32)CCC1 ZINC000194915288 1020632533 /nfs/dbraw/zinc/63/25/33/1020632533.db2.gz OFSQPZQHIZFZPT-QGZVFWFLSA-N 1 0 303.446 3.869 50 0 DHAARO Cn1ccc2cc(C[NH+]3CCC(Oc4ccncc4)CC3)ccc21 ZINC000825640381 1020666833 /nfs/dbraw/zinc/66/68/33/1020666833.db2.gz NBPKVHYIVKDBLQ-UHFFFAOYSA-N 1 0 321.424 3.617 50 0 DHAARO O=C(CCc1cccnc1)Nc1ccccc1C[NH+]1CCCCC1 ZINC000828075044 1020810778 /nfs/dbraw/zinc/81/07/78/1020810778.db2.gz CCLDFJJMSXDBMW-UHFFFAOYSA-N 1 0 323.440 3.639 50 0 DHAARO Cc1cnc(C2CC2)n1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000575547597 1020975705 /nfs/dbraw/zinc/97/57/05/1020975705.db2.gz KLWJFKKXXREIBO-SFHVURJKSA-N 1 0 309.457 3.981 50 0 DHAARO CCC(CC)C[N@@H+]1CC[C@@H](n2c(C)cnc2-c2cccnc2)C1 ZINC000575548965 1020975921 /nfs/dbraw/zinc/97/59/21/1020975921.db2.gz LTBUDSYQWLBEDO-GOSISDBHSA-N 1 0 312.461 3.937 50 0 DHAARO C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000002498494 1021107147 /nfs/dbraw/zinc/10/71/47/1021107147.db2.gz SGQHRGPXIXKVER-PXNSSMCTSA-N 1 0 300.490 3.862 50 0 DHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)c2ccsc2)CC1 ZINC000581787957 1021835107 /nfs/dbraw/zinc/83/51/07/1021835107.db2.gz LNYINWVNSTXNMK-KRWDZBQOSA-N 1 0 320.502 3.865 50 0 DHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581806763 1021851768 /nfs/dbraw/zinc/85/17/68/1021851768.db2.gz XMEDZAVRXUXXHQ-QGZVFWFLSA-N 1 0 315.461 3.813 50 0 DHAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)c1ccc(F)c(F)c1 ZINC000106789064 1023381914 /nfs/dbraw/zinc/38/19/14/1023381914.db2.gz BZEBIVQVTUXHKV-OCBCSQNSSA-N 1 0 322.399 3.501 50 0 DHAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000107323544 1023426677 /nfs/dbraw/zinc/42/66/77/1023426677.db2.gz QJGMSJQMTNSQOO-MDOVXXIYSA-N 1 0 310.441 3.747 50 0 DHAARO Cc1cc(C)n(CCC[N@H+]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000200547929 1023718948 /nfs/dbraw/zinc/71/89/48/1023718948.db2.gz YIRGNDPBKRZWKU-UHFFFAOYSA-N 1 0 313.420 3.818 50 0 DHAARO C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1cc2ccccc2o1 ZINC000048683739 1023804515 /nfs/dbraw/zinc/80/45/15/1023804515.db2.gz NLLGEAHIIDVUCA-AWEZNQCLSA-N 1 0 322.412 3.674 50 0 DHAARO Cc1nnc(C[NH2+]C(C)(C)Cc2ccc(C(F)(F)F)cc2)o1 ZINC000190705740 1024640039 /nfs/dbraw/zinc/64/00/39/1024640039.db2.gz CGDVQMIKODZTPZ-UHFFFAOYSA-N 1 0 313.323 3.508 50 0 DHAARO Fc1ccc(OC[C@H]2CCCN(Cc3cscn3)C2)cc1 ZINC000215846385 1025188828 /nfs/dbraw/zinc/18/88/28/1025188828.db2.gz RCEMOKGPLSCBTQ-ZDUSSCGKSA-N 1 0 306.406 3.573 50 0 DHAARO CC(C)c1ccc(/C=C\CC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000222039236 1026117096 /nfs/dbraw/zinc/11/70/96/1026117096.db2.gz BSSZSEVSHWQANN-KJPDOMRESA-N 1 0 314.473 3.812 50 0 DHAARO CC[C@H]1c2ccccc2CCN1Cc1ncc(CN(C)C)s1 ZINC000585084316 1029642748 /nfs/dbraw/zinc/64/27/48/1029642748.db2.gz AETKPYYDBABCQI-KRWDZBQOSA-N 1 0 315.486 3.714 50 0 DHAARO Oc1cccnc1C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000585084367 1029643609 /nfs/dbraw/zinc/64/36/09/1029643609.db2.gz JGPVCNLCQWZCDV-CYBMUJFWSA-N 1 0 322.330 3.796 50 0 DHAARO CCc1ccc(C[NH+]2CCC(O)(Cc3ccc(C)cc3)CC2)cn1 ZINC000585084564 1029665025 /nfs/dbraw/zinc/66/50/25/1029665025.db2.gz YDPCFWRKCKWOSV-UHFFFAOYSA-N 1 0 324.468 3.522 50 0 DHAARO C[C@@H](NCc1nc(Cl)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117200 1029775443 /nfs/dbraw/zinc/77/54/43/1029775443.db2.gz URNSCCQITJBQFG-ABAIWWIYSA-N 1 0 309.866 3.578 50 0 DHAARO CCN(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(F)c1)c1ccco1 ZINC000032581947 1036253685 /nfs/dbraw/zinc/25/36/85/1036253685.db2.gz HHIRBQFGBLNNSV-INIZCTEOSA-N 1 0 320.408 3.600 50 0 DHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC000089948705 185270924 /nfs/dbraw/zinc/27/09/24/185270924.db2.gz RVJQIQFQXDVDQY-IYOUNJFTSA-N 1 0 318.436 3.513 50 0 DHAARO COc1ccc(C)cc1[C@H](C)[NH2+]CC1(SC)CCOCC1 ZINC000090113500 185282653 /nfs/dbraw/zinc/28/26/53/185282653.db2.gz WPCHHTHFURVBNU-AWEZNQCLSA-N 1 0 309.475 3.566 50 0 DHAARO Cc1cc(N2CCC(c3nccn3CC3CC3)CC2)cc(C)[nH+]1 ZINC000082097456 192354804 /nfs/dbraw/zinc/35/48/04/192354804.db2.gz PAIOTVHWEYPEBD-UHFFFAOYSA-N 1 0 310.445 3.689 50 0 DHAARO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2F)CN1Cc1ccccc1 ZINC000095419365 185359891 /nfs/dbraw/zinc/35/98/91/185359891.db2.gz JAPHTMCASRQQGO-VQIMIIECSA-N 1 0 312.432 3.621 50 0 DHAARO C[C@H]([NH2+]CCCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000095419171 185359961 /nfs/dbraw/zinc/35/99/61/185359961.db2.gz FWNXXRRWMUETGI-YCRPNKLZSA-N 1 0 301.455 3.707 50 0 DHAARO COc1cc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)ccc1OC(C)C ZINC000095419743 185360220 /nfs/dbraw/zinc/36/02/20/185360220.db2.gz GAMVHCYTLYWFPN-GJZGRUSLSA-N 1 0 321.461 3.948 50 0 DHAARO CC[N@@H+](Cc1cccs1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000097002266 185396396 /nfs/dbraw/zinc/39/63/96/185396396.db2.gz IOTQGVQJSPYCDL-OAHLLOKOSA-N 1 0 316.426 3.595 50 0 DHAARO Cc1cc(N(C)CCC2CC2)nc([C@@H](C)[N@H+](C)CCC2CC2)n1 ZINC000095452732 185369175 /nfs/dbraw/zinc/36/91/75/185369175.db2.gz QQKZAWVVDDGGFZ-OAHLLOKOSA-N 1 0 316.493 3.814 50 0 DHAARO CC[NH2+]Cc1ccccc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000097019502 185397971 /nfs/dbraw/zinc/39/79/71/185397971.db2.gz BXYLQZNBVHFFGC-UHFFFAOYSA-N 1 0 324.211 3.750 50 0 DHAARO Cc1cnc(C)c(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1 ZINC000071748445 191020836 /nfs/dbraw/zinc/02/08/36/191020836.db2.gz IZWVJPARUZKXNV-QGZVFWFLSA-N 1 0 311.429 3.541 50 0 DHAARO CN(C)C(C)(C)C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000071853266 191031135 /nfs/dbraw/zinc/03/11/35/191031135.db2.gz CMMFWHKRFMDVHG-UHFFFAOYSA-N 1 0 306.450 3.984 50 0 DHAARO C[NH+]1CCC(Oc2ccc(NC(=O)C3CCCCC3)cc2)CC1 ZINC000072139185 191047577 /nfs/dbraw/zinc/04/75/77/191047577.db2.gz FRCWKSNWLYDUPZ-UHFFFAOYSA-N 1 0 316.445 3.678 50 0 DHAARO Clc1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000072144982 191051301 /nfs/dbraw/zinc/05/13/01/191051301.db2.gz MMWCZXWNQUKPEP-UHFFFAOYSA-N 1 0 302.805 3.778 50 0 DHAARO c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)cc2)cn1 ZINC000072154500 191059802 /nfs/dbraw/zinc/05/98/02/191059802.db2.gz ZARGOOIBKLBSON-LJQANCHMSA-N 1 0 304.397 3.604 50 0 DHAARO C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(F)c(Cl)c1 ZINC000084647775 192450085 /nfs/dbraw/zinc/45/00/85/192450085.db2.gz HFGYAZRIBYBFQD-WCQYABFASA-N 1 0 307.800 3.904 50 0 DHAARO CCN(CCC[NH+](CC)CC)C(=O)CCCc1cccs1 ZINC000225576497 186279761 /nfs/dbraw/zinc/27/97/61/186279761.db2.gz KHGWADGFGLDKAT-UHFFFAOYSA-N 1 0 310.507 3.651 50 0 DHAARO Cc1cc(-c2nnc(C[N@@H+](C)[C@H]3CCCC[C@H]3C)o2)c(C)o1 ZINC000253370193 186300611 /nfs/dbraw/zinc/30/06/11/186300611.db2.gz NPLHIJKKNIZWBC-ABAIWWIYSA-N 1 0 303.406 3.957 50 0 DHAARO O=C(CCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000072411933 191155346 /nfs/dbraw/zinc/15/53/46/191155346.db2.gz SOAYATPGMFHHFX-IBGZPJMESA-N 1 0 323.436 3.806 50 0 DHAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1c(Cl)cncc1Cl ZINC000072428625 191160826 /nfs/dbraw/zinc/16/08/26/191160826.db2.gz MQFBBVUIHFJFFS-LBPRGKRZSA-N 1 0 316.276 3.695 50 0 DHAARO CCC(CC)(CC)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000072437294 191165646 /nfs/dbraw/zinc/16/56/46/191165646.db2.gz YQWXLZTTWIHCPW-UHFFFAOYSA-N 1 0 316.489 3.984 50 0 DHAARO c1cn([C@H]2CC[NH2+]C2)c(-c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000072429349 191163237 /nfs/dbraw/zinc/16/32/37/191163237.db2.gz UQZXJNFADAITPN-KRWDZBQOSA-N 1 0 301.393 3.656 50 0 DHAARO C[N@H+](CCC1CCOCC1)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072454115 191171194 /nfs/dbraw/zinc/17/11/94/191171194.db2.gz PEPXAGLRXWPQHN-UHFFFAOYSA-N 1 0 319.489 3.639 50 0 DHAARO Cc1cc(C)cc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)c1 ZINC000000261055 180741392 /nfs/dbraw/zinc/74/13/92/180741392.db2.gz GPAORJVGIHQNRS-UHFFFAOYSA-N 1 0 319.518 3.805 50 0 DHAARO Cc1ccc([C@@]2(O)C[N+](c3ccccc3C)=C3CCCCN32)cc1 ZINC000002966428 180972850 /nfs/dbraw/zinc/97/28/50/180972850.db2.gz WCDTZNBHNKMWEO-NRFANRHFSA-N 1 0 321.444 3.564 50 0 DHAARO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000003443534 181020278 /nfs/dbraw/zinc/02/02/78/181020278.db2.gz OYCJQUVRJNGLKX-IBGZPJMESA-N 1 0 324.424 3.861 50 0 DHAARO CCCC[NH2+]CCOc1ccc(Cl)cc1Br ZINC000003461175 181023671 /nfs/dbraw/zinc/02/36/71/181023671.db2.gz ZNPWRGMWZLUQRF-UHFFFAOYSA-N 1 0 306.631 3.871 50 0 DHAARO CCCOc1ccc([C@](O)(CC)CC[NH+]2CCCCC2)cc1 ZINC000003901301 181055172 /nfs/dbraw/zinc/05/51/72/181055172.db2.gz XEUICYHPOPUKPU-IBGZPJMESA-N 1 0 305.462 3.949 50 0 DHAARO Cc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000004023525 181063582 /nfs/dbraw/zinc/06/35/82/181063582.db2.gz IFUBDYAUWMJOSL-FUHWJXTLSA-N 1 0 301.430 3.725 50 0 biogenic DHAARO C[C@H](CC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000004028056 181064184 /nfs/dbraw/zinc/06/41/84/181064184.db2.gz XTBMRTNKDDLAMA-NZSAHSFTSA-N 1 0 315.457 3.988 50 0 biogenic DHAARO CC[NH+](CC)C/C=C/[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004108502 181073883 /nfs/dbraw/zinc/07/38/83/181073883.db2.gz ADHKCODGMUMRPH-RXNMKEHESA-N 1 0 316.445 3.686 50 0 DHAARO CCCCN(C)C(=O)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000004355368 181102056 /nfs/dbraw/zinc/10/20/56/181102056.db2.gz SXPMGQUMFCZBSU-UHFFFAOYSA-N 1 0 316.489 3.590 50 0 DHAARO CC1CCN(C(=O)C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000004603244 181129545 /nfs/dbraw/zinc/12/95/45/181129545.db2.gz SQDUQNCXWUVGSY-UHFFFAOYSA-N 1 0 306.494 3.537 50 0 DHAARO CCCCNC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000004680520 181136196 /nfs/dbraw/zinc/13/61/96/181136196.db2.gz YHDWMQZZXSGOKY-UHFFFAOYSA-N 1 0 316.489 3.938 50 0 DHAARO Cc1ccccc1CN1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000004745692 181146573 /nfs/dbraw/zinc/14/65/73/181146573.db2.gz DJMARARVQRPHAU-CALCHBBNSA-N 1 0 300.490 3.937 50 0 DHAARO Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(Cl)c1 ZINC000004755228 181148513 /nfs/dbraw/zinc/14/85/13/181148513.db2.gz CRYLGRCHBSTNKM-UHFFFAOYSA-N 1 0 308.853 3.687 50 0 DHAARO COCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000004840966 181160432 /nfs/dbraw/zinc/16/04/32/181160432.db2.gz WGOKOPRYPYQGAG-UHFFFAOYSA-N 1 0 300.185 3.989 50 0 DHAARO COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCCCC1 ZINC000004841214 181161056 /nfs/dbraw/zinc/16/10/56/181161056.db2.gz SFGSFGTXHBASNV-UHFFFAOYSA-N 1 0 305.418 3.543 50 0 DHAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000004942900 181176825 /nfs/dbraw/zinc/17/68/25/181176825.db2.gz QAEJJZXCARWVSB-CYBMUJFWSA-N 1 0 324.218 3.570 50 0 DHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000005559852 181257477 /nfs/dbraw/zinc/25/74/77/181257477.db2.gz RPLRJQNMFZPNEH-IRXDYDNUSA-N 1 0 305.462 3.733 50 0 DHAARO CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000005686341 181272204 /nfs/dbraw/zinc/27/22/04/181272204.db2.gz GFMJPIPKRNEOJI-UHFFFAOYSA-N 1 0 315.413 3.735 50 0 DHAARO Cc1ccccc1C(O)(c1ccccc1C)[C@H]1C[NH+]2CCC1CC2 ZINC000005782839 181283361 /nfs/dbraw/zinc/28/33/61/181283361.db2.gz OXDOWGVJMITMJL-NRFANRHFSA-N 1 0 321.464 3.881 50 0 in-man DHAARO C/C(=C\c1ccccc1)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000180012429 199106873 /nfs/dbraw/zinc/10/68/73/199106873.db2.gz HDOVESGUQQRNLC-NTCAYCPXSA-N 1 0 312.379 3.660 50 0 DHAARO C[C@H](C[NH+]1CCC(N2CCCC2=O)CC1)c1cccc(Cl)c1 ZINC000187179471 200073115 /nfs/dbraw/zinc/07/31/15/200073115.db2.gz ASAVMGWYHDAVAO-CQSZACIVSA-N 1 0 320.864 3.530 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000006007627 181305724 /nfs/dbraw/zinc/30/57/24/181305724.db2.gz YMZSVKVMWNOVCN-GFCCVEGCSA-N 1 0 316.426 3.913 50 0 DHAARO C[C@H]([NH2+]CCc1ccccc1F)c1ccccc1-n1cccn1 ZINC000089909870 192904649 /nfs/dbraw/zinc/90/46/49/192904649.db2.gz SVBCNGZEUQIXAE-HNNXBMFYSA-N 1 0 309.388 3.905 50 0 DHAARO C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)c1cccc(O)c1 ZINC000194844121 201298903 /nfs/dbraw/zinc/29/89/03/201298903.db2.gz MZUOWQLXOFRILY-MRXNPFEDSA-N 1 0 321.424 3.530 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000006626660 181362328 /nfs/dbraw/zinc/36/23/28/181362328.db2.gz SZXXXOBSIGXURT-YPMHNXCESA-N 1 0 318.244 3.608 50 0 DHAARO CC[C@H](CO)[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247952395 202701453 /nfs/dbraw/zinc/70/14/53/202701453.db2.gz YQJNBTXVUAKOGF-LJQANCHMSA-N 1 0 322.452 3.859 50 0 DHAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cnc2ccsc2c1 ZINC000248767340 202761767 /nfs/dbraw/zinc/76/17/67/202761767.db2.gz XFXSVYPJXXPKMP-AADNMHCOSA-N 1 0 314.454 3.905 50 0 DHAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000006719445 181376407 /nfs/dbraw/zinc/37/64/07/181376407.db2.gz FIHTYFDWZRVGAH-ZDUSSCGKSA-N 1 0 301.386 3.563 50 0 DHAARO Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1C ZINC000006729866 181378424 /nfs/dbraw/zinc/37/84/24/181378424.db2.gz VQNWPLYRMSGEOU-UHFFFAOYSA-N 1 0 315.461 3.786 50 0 DHAARO Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000091635883 193082614 /nfs/dbraw/zinc/08/26/14/193082614.db2.gz XIPNWWNOAFCBRB-KRWDZBQOSA-N 1 0 318.436 3.615 50 0 DHAARO CSCC1CC[NH+](Cc2cc(=O)c3cccc(F)c3[nH]2)CC1 ZINC000091965296 193134400 /nfs/dbraw/zinc/13/44/00/193134400.db2.gz UOTOABYZUYNYEI-UHFFFAOYSA-N 1 0 320.433 3.655 50 0 DHAARO Cc1ccc(Cn2cc(-c3ccc([C@@H](C)[NH+](C)C)cc3)nn2)cc1 ZINC000092038613 193146497 /nfs/dbraw/zinc/14/64/97/193146497.db2.gz MRGGWJCQUFDSAW-MRXNPFEDSA-N 1 0 320.440 3.924 50 0 DHAARO CCC[C@H]1CN(C(=O)c2ccc(-c3ccccc3C)cc2)C[C@@H]1[NH3+] ZINC000092078763 193154729 /nfs/dbraw/zinc/15/47/29/193154729.db2.gz CGVPZZMZIWGLPJ-ICSRJNTNSA-N 1 0 322.452 3.861 50 0 DHAARO Cc1cc(C[N@H+](C)C[C@H]2CCOC2)ccc1Oc1cccnc1 ZINC000093840099 193316147 /nfs/dbraw/zinc/31/61/47/193316147.db2.gz ACOMAIMLZGBBCJ-QGZVFWFLSA-N 1 0 312.413 3.651 50 0 DHAARO C[C@@H](Cc1ccsc1)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000096478844 193663007 /nfs/dbraw/zinc/66/30/07/193663007.db2.gz OOVQIFIQHMMVOT-VIFPVBQESA-N 1 0 320.405 3.987 50 0 DHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCCCO2)cc1C ZINC000011818882 181708123 /nfs/dbraw/zinc/70/81/23/181708123.db2.gz LTBNPQGZKXSUOZ-SFHVURJKSA-N 1 0 313.445 3.742 50 0 DHAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](CC3CC3)CC2)c1 ZINC000012240751 181743912 /nfs/dbraw/zinc/74/39/12/181743912.db2.gz PZQXFSAAFFVWCE-UHFFFAOYSA-N 1 0 311.429 3.675 50 0 DHAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000015583737 182008411 /nfs/dbraw/zinc/00/84/11/182008411.db2.gz TWSKQCXDZOILGU-PIGZYNQJSA-N 1 0 316.351 3.569 50 0 DHAARO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862262 182022184 /nfs/dbraw/zinc/02/21/84/182022184.db2.gz FVHDKWOKJFQTHB-UHFFFAOYSA-N 1 0 324.399 3.998 50 0 DHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000016183482 182036050 /nfs/dbraw/zinc/03/60/50/182036050.db2.gz OOUWLKQIFUITQD-DGCLKSJQSA-N 1 0 318.244 3.608 50 0 DHAARO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000016346565 182041915 /nfs/dbraw/zinc/04/19/15/182041915.db2.gz DNTMWZRVBNXDIU-CABCVRRESA-N 1 0 316.470 3.754 50 0 DHAARO Fc1ccccc1COc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000016450051 182045139 /nfs/dbraw/zinc/04/51/39/182045139.db2.gz LEFVXSXDMHMHMT-GOSISDBHSA-N 1 0 315.388 3.673 50 0 DHAARO O=C(CCC1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016605645 182052917 /nfs/dbraw/zinc/05/29/17/182052917.db2.gz AUGWKOKCFRCEIO-UHFFFAOYSA-N 1 0 314.473 3.738 50 0 DHAARO CC(C)[NH+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000017113365 182075477 /nfs/dbraw/zinc/07/54/77/182075477.db2.gz YWORHIMMPZULFK-KRWDZBQOSA-N 1 0 301.430 3.698 50 0 DHAARO C[NH+](C)C1(CNC(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000018178869 182097248 /nfs/dbraw/zinc/09/72/48/182097248.db2.gz URCGOXQMDBRSMP-UHFFFAOYSA-N 1 0 309.841 3.726 50 0 DHAARO C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019362737 182118342 /nfs/dbraw/zinc/11/83/42/182118342.db2.gz WFNAKBGANONZEQ-SFHVURJKSA-N 1 0 300.833 3.677 50 0 fda DHAARO Cc1cccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019536510 182129046 /nfs/dbraw/zinc/12/90/46/182129046.db2.gz KXRADLKLVCTABH-IZZDOVSWSA-N 1 0 306.453 3.826 50 0 DHAARO COc1ccccc1CC[NH2+]Cc1cccc(Br)c1 ZINC000019721094 182138591 /nfs/dbraw/zinc/13/85/91/182138591.db2.gz DWZCQPHQXBEUBY-UHFFFAOYSA-N 1 0 320.230 3.790 50 0 DHAARO CCc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019842379 182155681 /nfs/dbraw/zinc/15/56/81/182155681.db2.gz YQPHRNDPMZKEPU-YLJYHZDGSA-N 1 0 300.490 3.945 50 0 DHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ccccc3F)c2c1 ZINC000019798228 182150909 /nfs/dbraw/zinc/15/09/09/182150909.db2.gz HPXOYMIRXBFRFT-UHFFFAOYSA-N 1 0 312.388 3.956 50 0 DHAARO c1c[nH]c(-c2ccccc2C[N@@H+]2CCC[C@@H]2c2nccs2)n1 ZINC000020109529 182187844 /nfs/dbraw/zinc/18/78/44/182187844.db2.gz OAXQKLFEABQXJS-OAHLLOKOSA-N 1 0 310.426 3.870 50 0 DHAARO Cc1cc(C(C)(C)C)ccc1OCCCC[NH+]1CCOCC1 ZINC000020118571 182189224 /nfs/dbraw/zinc/18/92/24/182189224.db2.gz PFHLTYHCNNJHTD-UHFFFAOYSA-N 1 0 305.462 3.784 50 0 DHAARO Clc1ccccc1-c1ccc(C[NH2+][C@H]2CN3CCC2CC3)o1 ZINC000020477448 182221356 /nfs/dbraw/zinc/22/13/56/182221356.db2.gz SMPICGBYIZJAQK-KRWDZBQOSA-N 1 0 316.832 3.784 50 0 DHAARO CC(C)[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000020525266 182227242 /nfs/dbraw/zinc/22/72/42/182227242.db2.gz SEXHWQVSLNPACB-UHFFFAOYSA-N 1 0 308.219 3.979 50 0 DHAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2csc3c2CCCC3)C1 ZINC000020536603 182227495 /nfs/dbraw/zinc/22/74/95/182227495.db2.gz YWZVDZLQRJMSBO-IBGZPJMESA-N 1 0 313.466 3.720 50 0 DHAARO [NH3+][C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000097742699 193752148 /nfs/dbraw/zinc/75/21/48/193752148.db2.gz DOLNLXQQKJIZNF-SFHVURJKSA-N 1 0 323.440 3.623 50 0 DHAARO O=C(c1ccccc1)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021170709 182268207 /nfs/dbraw/zinc/26/82/07/182268207.db2.gz ROOLRGBHJLLKAE-LJQANCHMSA-N 1 0 314.473 3.947 50 0 DHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(O)c1 ZINC000021720838 182286646 /nfs/dbraw/zinc/28/66/46/182286646.db2.gz JYXXTSYBGKPUAS-AWEZNQCLSA-N 1 0 316.401 3.597 50 0 DHAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc(OC)c1 ZINC000021720464 182285789 /nfs/dbraw/zinc/28/57/89/182285789.db2.gz ZSQFPZLDZRMQEN-QGZVFWFLSA-N 1 0 316.401 3.646 50 0 DHAARO CCOc1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)ccc1O ZINC000021720614 182286204 /nfs/dbraw/zinc/28/62/04/182286204.db2.gz YPEPPKXQPCKHCA-HNNXBMFYSA-N 1 0 316.401 3.733 50 0 DHAARO CCN(CC)CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000022027676 182304405 /nfs/dbraw/zinc/30/44/05/182304405.db2.gz UYTQYOQXPOGPPS-CYBMUJFWSA-N 1 0 302.384 3.568 50 0 DHAARO Fc1ccc([C@@H](c2ccc(Cl)cc2)N2CC[NH2+]CC2)c(F)c1 ZINC000022115524 182309049 /nfs/dbraw/zinc/30/90/49/182309049.db2.gz UNODNQKDSIXHCK-QGZVFWFLSA-N 1 0 322.786 3.613 50 0 DHAARO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)o1 ZINC000022794461 182335321 /nfs/dbraw/zinc/33/53/21/182335321.db2.gz RLKDXZHWFMQTFG-LLVKDONJSA-N 1 0 307.777 3.863 50 0 DHAARO COc1ccc(CC[C@H](C)[NH2+]CCc2ccccc2OC)cc1 ZINC000023283363 182356003 /nfs/dbraw/zinc/35/60/03/182356003.db2.gz FQSFOQZRQUUTGX-INIZCTEOSA-N 1 0 313.441 3.857 50 0 DHAARO C[NH+](C)Cc1ccccc1NC(=O)CCn1ccc2ccccc21 ZINC000024811700 182391343 /nfs/dbraw/zinc/39/13/43/182391343.db2.gz KRHXUURXDVUJOE-UHFFFAOYSA-N 1 0 321.424 3.732 50 0 DHAARO Cc1cc(C[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545886 183002641 /nfs/dbraw/zinc/00/26/41/183002641.db2.gz RTCDXUWWDCYWFE-UHFFFAOYSA-N 1 0 304.415 3.888 50 0 DHAARO O=C(c1cccc(F)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000040063095 183030792 /nfs/dbraw/zinc/03/07/92/183030792.db2.gz ZHDCDEAXYCCYDP-UHFFFAOYSA-N 1 0 318.436 3.554 50 0 DHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000040086939 183031919 /nfs/dbraw/zinc/03/19/19/183031919.db2.gz ZKXLUHBGXYXIQH-UHFFFAOYSA-N 1 0 316.351 3.813 50 0 DHAARO CC(C)c1ccc([C@H]2[NH2+]CC[C@@]23c2ccccc2NC3=O)cc1 ZINC000040309975 183053289 /nfs/dbraw/zinc/05/32/89/183053289.db2.gz DWFMRWCKZQXXCA-UYAOXDASSA-N 1 0 306.409 3.735 50 0 biogenic DHAARO CC(C)(C)c1cc(Br)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042774653 183307727 /nfs/dbraw/zinc/30/77/27/183307727.db2.gz PNTATGWUCJORQL-GFCCVEGCSA-N 1 0 312.251 3.877 50 0 DHAARO CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000042784238 183308863 /nfs/dbraw/zinc/30/88/63/183308863.db2.gz MTFCVOVRLIBVAP-HOTGVXAUSA-N 1 0 304.434 3.612 50 0 DHAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C)C1)c1cccc2ccccc21 ZINC000104678726 194025010 /nfs/dbraw/zinc/02/50/10/194025010.db2.gz PMKGCAPOHFZFLU-HZPDHXFCSA-N 1 0 310.441 3.749 50 0 DHAARO CCCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000056284061 184009251 /nfs/dbraw/zinc/00/92/51/184009251.db2.gz PZFSHYAAXYIAND-AWEZNQCLSA-N 1 0 306.425 3.515 50 0 DHAARO Oc1cccc([C@@H](O)C[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000057354888 184035232 /nfs/dbraw/zinc/03/52/32/184035232.db2.gz FSRDJXXZGAOXAK-HNNXBMFYSA-N 1 0 312.196 3.522 50 0 DHAARO CC(C)[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000057627017 184042490 /nfs/dbraw/zinc/04/24/90/184042490.db2.gz RCQJQJVQUQTCPX-UHFFFAOYSA-N 1 0 321.774 3.674 50 0 DHAARO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3ccccc3)cc(=O)oc12 ZINC000058051734 184071754 /nfs/dbraw/zinc/07/17/54/184071754.db2.gz YOTAFTJHHXGLJD-ZDUSSCGKSA-N 1 0 309.365 3.658 50 0 DHAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000058181866 184085632 /nfs/dbraw/zinc/08/56/32/184085632.db2.gz RTSREYAJIPRGGX-GOSISDBHSA-N 1 0 323.440 3.720 50 0 DHAARO O=c1cc(C[NH2+]Cc2cccs2)c2cc3c(cc2o1)CCC3 ZINC000058121270 184077154 /nfs/dbraw/zinc/07/71/54/184077154.db2.gz LQSWWYLDDKJJTG-UHFFFAOYSA-N 1 0 311.406 3.633 50 0 DHAARO CCOC(=O)CC[N@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000058162731 184082670 /nfs/dbraw/zinc/08/26/70/184082670.db2.gz QIOWUUQOFFFYJA-UHFFFAOYSA-N 1 0 316.228 3.911 50 0 DHAARO O=C(c1cccc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000058248635 184094738 /nfs/dbraw/zinc/09/47/38/184094738.db2.gz RCFBIMIXYLFTER-UHFFFAOYSA-N 1 0 322.452 3.930 50 0 DHAARO C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)C(=O)NC1CCCC1 ZINC000065373671 184330727 /nfs/dbraw/zinc/33/07/27/184330727.db2.gz MQEJIKNOXJZTHD-CQSZACIVSA-N 1 0 320.436 3.793 50 0 DHAARO C[C@H](c1ccc(-c2ccc3c(c2)CCC3=O)cc1)[NH+]1CCOCC1 ZINC000065417267 184341574 /nfs/dbraw/zinc/34/15/74/184341574.db2.gz OAVVSEOKWLGPBS-OAHLLOKOSA-N 1 0 321.420 3.876 50 0 DHAARO Cc1ccccc1-c1noc(C[NH2+][C@H](C)Cc2cccs2)n1 ZINC000065421426 184342207 /nfs/dbraw/zinc/34/22/07/184342207.db2.gz CUFBPNONKZGKGK-CYBMUJFWSA-N 1 0 313.426 3.827 50 0 DHAARO C[NH+](C)[C@H](CNC(=O)c1sccc1C1CC1)c1cccs1 ZINC000065474863 184351930 /nfs/dbraw/zinc/35/19/30/184351930.db2.gz HUINDHJFQBQSBO-CYBMUJFWSA-N 1 0 320.483 3.720 50 0 DHAARO O=C(CC[NH2+]Cc1ccc(Cl)c(Cl)c1)Nc1cccnc1 ZINC000065527606 184360469 /nfs/dbraw/zinc/36/04/69/184360469.db2.gz ZCXZWOVSMLSKTO-UHFFFAOYSA-N 1 0 324.211 3.507 50 0 DHAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2csc(-c3ccco3)n2)c1 ZINC000069459497 184516917 /nfs/dbraw/zinc/51/69/17/184516917.db2.gz SNNDGHRGBAERMJ-OLZOCXBDSA-N 1 0 316.430 3.647 50 0 DHAARO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCOC(C)C)CC2)s1 ZINC000157955973 197230370 /nfs/dbraw/zinc/23/03/70/197230370.db2.gz REPOTKGBSUAJIM-OAHLLOKOSA-N 1 0 310.507 3.597 50 0 DHAARO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000157237254 197172839 /nfs/dbraw/zinc/17/28/39/197172839.db2.gz XMPSKZSAWMRXOM-GDBMZVCRSA-N 1 0 318.461 3.525 50 0 DHAARO Oc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000244858532 256605658 /nfs/dbraw/zinc/60/56/58/256605658.db2.gz VMXHNZZITIRHFY-VQTJNVASSA-N 1 0 314.473 3.621 50 0 DHAARO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@@H](C(C)C)O1 ZINC000524735308 257213694 /nfs/dbraw/zinc/21/36/94/257213694.db2.gz QFCSLHUPMINKGK-VBUUOAMHSA-N 1 0 319.445 3.733 50 0 DHAARO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccn1)CCC2 ZINC000216497409 257273734 /nfs/dbraw/zinc/27/37/34/257273734.db2.gz CJUQXSIRPLQRCY-IBGZPJMESA-N 1 0 308.425 3.916 50 0 DHAARO c1ncn(C2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000374782273 257235210 /nfs/dbraw/zinc/23/52/10/257235210.db2.gz RRVIXNPAAUBMMK-UHFFFAOYSA-N 1 0 318.424 3.705 50 0 DHAARO C[C@H](c1ccc(-c2ccc3c(c2)OCC3)cc1)[NH+]1CCOCC1 ZINC000426662555 257244131 /nfs/dbraw/zinc/24/41/31/257244131.db2.gz XEZAGCYWQUXHPI-OAHLLOKOSA-N 1 0 309.409 3.682 50 0 DHAARO CCCNC(=O)c1cccnc1-c1ccc([C@H](C)[NH+](C)C)cc1 ZINC000426478724 257249317 /nfs/dbraw/zinc/24/93/17/257249317.db2.gz JTGFHCUHUVIDFD-AWEZNQCLSA-N 1 0 311.429 3.511 50 0 DHAARO CCCc1ccc(-c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000426434840 257250089 /nfs/dbraw/zinc/25/00/89/257250089.db2.gz KZTPQFLOVLFDOU-HXUWFJFHSA-N 1 0 322.452 3.869 50 0 DHAARO CC[C@H](C[NH+]1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 ZINC000408514009 257255869 /nfs/dbraw/zinc/25/58/69/257255869.db2.gz HUZNJIMUIFUYTB-ZWKOTPCHSA-N 1 0 317.473 3.698 50 0 DHAARO CC[C@H](C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000408514007 257256201 /nfs/dbraw/zinc/25/62/01/257256201.db2.gz HUZNJIMUIFUYTB-QZTJIDSGSA-N 1 0 317.473 3.698 50 0 DHAARO Cc1ncsc1CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000278453348 257256856 /nfs/dbraw/zinc/25/68/56/257256856.db2.gz YGPUPTZVVVPWHD-UHFFFAOYSA-N 1 0 322.861 3.589 50 0 DHAARO C[C@H]([NH2+]Cc1csc(C2CCCC2)n1)[C@H](C)n1cccn1 ZINC000071882057 184885435 /nfs/dbraw/zinc/88/54/35/184885435.db2.gz DQNWDYFYRREUEE-STQMWFEESA-N 1 0 304.463 3.737 50 0 DHAARO Cc1ccc(C2CC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)C2)cc1 ZINC000284662132 131102059 /nfs/dbraw/zinc/10/20/59/131102059.db2.gz PPZJMMUTCVUHTE-GHBBCFCZSA-N 1 0 308.425 3.756 50 0 DHAARO Cc1n[nH]c(C)c1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000289475256 131388652 /nfs/dbraw/zinc/38/86/52/131388652.db2.gz PWDLIFVNNXIYFC-UHFFFAOYSA-N 1 0 320.440 3.666 50 0 DHAARO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004344214 331485857 /nfs/dbraw/zinc/48/58/57/331485857.db2.gz QCOINQZTGPZXSF-UHFFFAOYSA-N 1 0 319.788 3.757 50 0 DHAARO COc1ccc(-c2c[n+](Cc3ccc(F)cc3)c3n2CCC3)cc1 ZINC000017248580 331573912 /nfs/dbraw/zinc/57/39/12/331573912.db2.gz XPBVJCAQGUOBPY-UHFFFAOYSA-N 1 0 323.391 3.585 50 0 DHAARO CC[N@H+](Cc1nc(-c2ccccc2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289800655 334167857 /nfs/dbraw/zinc/16/78/57/334167857.db2.gz MWKICJIIPRIDCB-HNNXBMFYSA-N 1 0 315.417 3.516 50 0 DHAARO C[C@H](c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)[NH+]1CCCC1 ZINC000534586319 334292158 /nfs/dbraw/zinc/29/21/58/334292158.db2.gz LWDIMWQTZJNWAS-CQSZACIVSA-N 1 0 319.412 3.691 50 0 DHAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)c1ccc2cc[nH]c2c1 ZINC000534643819 334306313 /nfs/dbraw/zinc/30/63/13/334306313.db2.gz PDQMXVSQCHKWSC-UHFFFAOYSA-N 1 0 313.445 3.552 50 0 DHAARO CC[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1ncccc1C ZINC000534670121 334320016 /nfs/dbraw/zinc/32/00/16/334320016.db2.gz LINDCRAPRZJWQS-SFHVURJKSA-N 1 0 313.445 3.688 50 0 DHAARO C/C(=C\c1ccccc1)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000180002203 518444043 /nfs/dbraw/zinc/44/40/43/518444043.db2.gz OCZSAJGTEHHREB-BMRADRMJSA-N 1 0 312.457 3.567 50 0 DHAARO C[NH+](C)Cc1ccnc(NCc2ccc(OCC3CC3)cc2)c1 ZINC000191514814 521935180 /nfs/dbraw/zinc/93/51/80/521935180.db2.gz KLGMYWOLPKSMKN-UHFFFAOYSA-N 1 0 311.429 3.544 50 0 DHAARO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124652819 522593209 /nfs/dbraw/zinc/59/32/09/522593209.db2.gz FTRUTFPPIURCCY-GOSISDBHSA-N 1 0 320.440 3.831 50 0 DHAARO c1cc([C@H]2CCC[N@H+]2CC2=CSC3=NCCCN23)cs1 ZINC000101083870 563650234 /nfs/dbraw/zinc/65/02/34/563650234.db2.gz PTRTTXOLFUWIEO-CQSZACIVSA-N 1 0 305.472 3.535 50 0 DHAARO COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)ccc1OC(F)F ZINC000246836364 563230212 /nfs/dbraw/zinc/23/02/12/563230212.db2.gz BYZNMDOTPVDFBT-DMDPSCGWSA-N 1 0 315.360 3.515 50 0 DHAARO FC(F)(F)c1cc(OC2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000002513140 563305231 /nfs/dbraw/zinc/30/52/31/563305231.db2.gz YUAIXNGZJQEDPG-UHFFFAOYSA-N 1 0 313.241 3.855 50 0 DHAARO CC[NH+](CC)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000014238210 563398839 /nfs/dbraw/zinc/39/88/39/563398839.db2.gz QRMHYZLGOLMPIM-AWEZNQCLSA-N 1 0 313.869 3.853 50 0 DHAARO Cc1ccc([C@](C)(O)C[NH2+]C2CCC(C(F)(F)F)CC2)o1 ZINC000097145913 563506547 /nfs/dbraw/zinc/50/65/47/563506547.db2.gz PSLQNNOUGUEYAX-ORHYLEIMSA-N 1 0 305.340 3.506 50 0 DHAARO CCC1CCC([NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000000276903 563235466 /nfs/dbraw/zinc/23/54/66/563235466.db2.gz HSKFNMLURMXZGZ-UHFFFAOYSA-N 1 0 302.462 3.786 50 0 DHAARO COc1ccc(-[n+]2cn3ccccc3c2-c2ccccc2)cc1 ZINC000000396059 563250641 /nfs/dbraw/zinc/25/06/41/563250641.db2.gz YSAQWVSECDLRSW-UHFFFAOYSA-N 1 0 301.369 3.892 50 0 DHAARO C[C@H](Cc1ccccc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000000757200 563271716 /nfs/dbraw/zinc/27/17/16/563271716.db2.gz DGVULUJDWLMVOL-MRXNPFEDSA-N 1 0 304.453 3.707 50 0 DHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC000034670273 563311234 /nfs/dbraw/zinc/31/12/34/563311234.db2.gz PCLRLNHWIHZLOW-SFHVURJKSA-N 1 0 324.424 3.524 50 0 DHAARO CCOC(=O)c1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000002838944 563314277 /nfs/dbraw/zinc/31/42/77/563314277.db2.gz AERSVMYWRXYMQY-UHFFFAOYSA-N 1 0 305.418 3.508 50 0 DHAARO Cc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2CCCC3)cc1 ZINC000002966181 563345238 /nfs/dbraw/zinc/34/52/38/563345238.db2.gz MWCZEYZASIVZTH-OAQYLSRUSA-N 1 0 321.444 3.564 50 0 DHAARO CC[C@@H](CO)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008326379 563346197 /nfs/dbraw/zinc/34/61/97/563346197.db2.gz BUPHVLVYPWTSRP-KRWDZBQOSA-N 1 0 319.832 3.780 50 0 DHAARO C[NH2+]CCN[C@@H]1c2ccccc2CSc2ccc(Cl)cc21 ZINC000022865502 563353929 /nfs/dbraw/zinc/35/39/29/563353929.db2.gz VRMSCRVJICMNPW-QGZVFWFLSA-N 1 0 318.873 3.844 50 0 DHAARO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010448287 563356589 /nfs/dbraw/zinc/35/65/89/563356589.db2.gz BOKITFUAOOAZLJ-UHFFFAOYSA-N 1 0 322.452 3.911 50 0 DHAARO C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000010541733 563357724 /nfs/dbraw/zinc/35/77/24/563357724.db2.gz KEVKJVFCLJSKBX-MRXNPFEDSA-N 1 0 300.446 3.545 50 0 DHAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000011815018 563359294 /nfs/dbraw/zinc/35/92/94/563359294.db2.gz WSORWUCARJFHLM-OAHLLOKOSA-N 1 0 315.438 3.857 50 0 DHAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000012057680 563360853 /nfs/dbraw/zinc/36/08/53/563360853.db2.gz UUJPYPPQAVYTHG-INIZCTEOSA-N 1 0 301.430 3.921 50 0 DHAARO COc1ccc(-c2noc(C[N@H+]3[C@H](C)CCC[C@@H]3C)n2)cc1 ZINC000012053980 563361077 /nfs/dbraw/zinc/36/10/77/563361077.db2.gz QAWNFJFXYVGJPE-BETUJISGSA-N 1 0 301.390 3.508 50 0 DHAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]C1CCC1 ZINC000012112133 563361917 /nfs/dbraw/zinc/36/19/17/563361917.db2.gz KUZRZCARZINRCZ-AWEZNQCLSA-N 1 0 302.466 3.759 50 0 DHAARO COc1ccc(N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012436278 563370116 /nfs/dbraw/zinc/37/01/16/563370116.db2.gz NDGJYPPGXHFXKK-LJQANCHMSA-N 1 0 322.452 3.739 50 0 DHAARO C[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)cc1 ZINC000013096116 563377615 /nfs/dbraw/zinc/37/76/15/563377615.db2.gz HLLANUPYTDGPMN-CYBMUJFWSA-N 1 0 302.805 3.799 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000032755351 563391231 /nfs/dbraw/zinc/39/12/31/563391231.db2.gz GSFSTPBMDAZBRL-UXHICEINSA-N 1 0 322.452 3.526 50 0 DHAARO CC(=O)c1cccc(NC(=O)CN(C)[C@H](C)c2cccs2)c1 ZINC000014109089 563395409 /nfs/dbraw/zinc/39/54/09/563395409.db2.gz GRGULULOZBYFHY-GFCCVEGCSA-N 1 0 316.426 3.582 50 0 DHAARO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000032850699 563402862 /nfs/dbraw/zinc/40/28/62/563402862.db2.gz SWGZPHVUDRDBMM-FGTMMUONSA-N 1 0 314.473 3.644 50 0 DHAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]CC1CC1 ZINC000015061980 563406136 /nfs/dbraw/zinc/40/61/36/563406136.db2.gz YIPSBWAGHIEONV-CQSZACIVSA-N 1 0 302.466 3.616 50 0 DHAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](CC(C)(C)CO)C2)cc1 ZINC000015077090 563407001 /nfs/dbraw/zinc/40/70/01/563407001.db2.gz IMTCBIXKJCBWFM-GOSISDBHSA-N 1 0 304.478 3.705 50 0 DHAARO Cc1c([C@H](C)[NH2+]Cc2cccc(O)c2)cnn1-c1ccccc1 ZINC000069848775 563417495 /nfs/dbraw/zinc/41/74/95/563417495.db2.gz OVIPCKJXWQEBBU-AWEZNQCLSA-N 1 0 307.397 3.737 50 0 DHAARO COc1ccc(NC(=O)c2ccc(C[NH2+]C(C)(C)C)cc2)cc1 ZINC000027342375 563427900 /nfs/dbraw/zinc/42/79/00/563427900.db2.gz MMMBPHCLFGQSII-UHFFFAOYSA-N 1 0 312.413 3.836 50 0 DHAARO CCc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)sc1C ZINC000027675619 563429387 /nfs/dbraw/zinc/42/93/87/563429387.db2.gz QOBUCOGIKBKESC-ZDUSSCGKSA-N 1 0 322.499 3.713 50 0 DHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccco1 ZINC000027989322 563429962 /nfs/dbraw/zinc/42/99/62/563429962.db2.gz QEZLFSBTYMWHTC-AWEZNQCLSA-N 1 0 318.442 3.688 50 0 DHAARO Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028292032 563431334 /nfs/dbraw/zinc/43/13/34/563431334.db2.gz FBGONEOAMHOCKW-HXUWFJFHSA-N 1 0 322.452 3.952 50 0 DHAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c(C)c1 ZINC000029483044 563434672 /nfs/dbraw/zinc/43/46/72/563434672.db2.gz XPCLIYMLTBDGBM-LJQANCHMSA-N 1 0 308.425 3.861 50 0 DHAARO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nc3ccccc3s2)C1(C)C ZINC000072305313 563444432 /nfs/dbraw/zinc/44/44/32/563444432.db2.gz HSTRWGMSSPVTFH-YOEHRIQHSA-N 1 0 304.459 3.932 50 0 DHAARO CCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000000568121 563448050 /nfs/dbraw/zinc/44/80/50/563448050.db2.gz BHCBMINIBNBATN-APWZRJJASA-N 1 0 313.441 3.730 50 0 DHAARO CCOc1ccccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000023281295 563449033 /nfs/dbraw/zinc/44/90/33/563449033.db2.gz VZFFGMNHLVGZQP-UHFFFAOYSA-N 1 0 302.462 3.788 50 0 DHAARO c1ccc(C2(c3ccccc3)[C@H]3CCC[C@]32[NH+]2CCOCC2)cc1 ZINC000022014335 563449050 /nfs/dbraw/zinc/44/90/50/563449050.db2.gz ZAGFOAXVNHNHOL-SFTDATJTSA-N 1 0 319.448 3.857 50 0 DHAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)COc1ccccc1Cl ZINC000002988531 563449671 /nfs/dbraw/zinc/44/96/71/563449671.db2.gz HDXHODJLOSXAJJ-OAHLLOKOSA-N 1 0 313.869 3.694 50 0 DHAARO COc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc(OC)c1O ZINC000002883533 563449826 /nfs/dbraw/zinc/44/98/26/563449826.db2.gz ALTQUELLKAAKGO-MRXNPFEDSA-N 1 0 313.397 3.577 50 0 DHAARO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(c2noc(C)n2)CC1 ZINC000071915656 563470000 /nfs/dbraw/zinc/47/00/00/563470000.db2.gz BIQZKVOTQWVUBS-MRXNPFEDSA-N 1 0 303.381 3.848 50 0 DHAARO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1ccccc1OCCO ZINC000055054154 563471010 /nfs/dbraw/zinc/47/10/10/563471010.db2.gz VWXMUAOGVDTOGB-MRXNPFEDSA-N 1 0 317.429 3.697 50 0 DHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)nc2)c1 ZINC000055100332 563471044 /nfs/dbraw/zinc/47/10/44/563471044.db2.gz FWYNTLHCDOAHPV-ZDUSSCGKSA-N 1 0 323.362 3.867 50 0 DHAARO CSCCC[N@H+](Cc1ccncc1)Cc1ccc(F)cc1 ZINC000055167500 563471896 /nfs/dbraw/zinc/47/18/96/563471896.db2.gz GTEGCBZXWJBOQV-UHFFFAOYSA-N 1 0 304.434 3.976 50 0 DHAARO C(=C/c1ccccc1)\C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055152892 563471947 /nfs/dbraw/zinc/47/19/47/563471947.db2.gz CRBMHZVXYMQFND-QPJJXVBHSA-N 1 0 308.429 3.506 50 0 DHAARO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cnc2ccccc2c1 ZINC000055309704 563473941 /nfs/dbraw/zinc/47/39/41/563473941.db2.gz ODDREPUUWMHIRO-UHFFFAOYSA-N 1 0 308.429 3.627 50 0 DHAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1ccc(Cl)nc1 ZINC000055385122 563475220 /nfs/dbraw/zinc/47/52/20/563475220.db2.gz ZEBRXAAQBLEDNY-UHFFFAOYSA-N 1 0 304.821 3.692 50 0 DHAARO CCOc1ccccc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000055543295 563476057 /nfs/dbraw/zinc/47/60/57/563476057.db2.gz VLIDUVRZRKQXJN-UHFFFAOYSA-N 1 0 310.441 3.716 50 0 DHAARO C[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000095422765 563477041 /nfs/dbraw/zinc/47/70/41/563477041.db2.gz FKNJFNMAMVAERV-OLZOCXBDSA-N 1 0 323.483 3.606 50 0 DHAARO C[C@@H]1C[C@H]([N@H+](C)CCc2ccncc2)CCN1Cc1ccccc1 ZINC000096414924 563480893 /nfs/dbraw/zinc/48/08/93/563480893.db2.gz ZIVXBPAXOUVBBE-WIYYLYMNSA-N 1 0 323.484 3.609 50 0 DHAARO CC[C@@H](C)c1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)on1 ZINC000096423573 563481735 /nfs/dbraw/zinc/48/17/35/563481735.db2.gz FGEGUZKSSHQODX-GFCCVEGCSA-N 1 0 301.390 3.502 50 0 DHAARO C[C@H](Cc1ccsc1)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000096478846 563484796 /nfs/dbraw/zinc/48/47/96/563484796.db2.gz OOVQIFIQHMMVOT-SECBINFHSA-N 1 0 320.405 3.987 50 0 DHAARO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC(C)C)C2 ZINC000067850759 563492152 /nfs/dbraw/zinc/49/21/52/563492152.db2.gz FTSHTMLRUAELSH-ZHDLZBQGSA-N 1 0 306.494 3.703 50 0 DHAARO Cc1cccc2cc(C[N@@H+]3CC[C@H](c4ccccc4)C3)c(=O)[nH]c12 ZINC000067871850 563492516 /nfs/dbraw/zinc/49/25/16/563492516.db2.gz OAZIFCCZBWXUEW-SFHVURJKSA-N 1 0 318.420 3.826 50 0 DHAARO CCO[C@@H](C)c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC000067908997 563492844 /nfs/dbraw/zinc/49/28/44/563492844.db2.gz WGYLQEHJTRRXEM-INIZCTEOSA-N 1 0 310.441 3.861 50 0 DHAARO Cc1nc(C[NH2+][C@H](C)Cc2cccc(F)c2)nc2c1CCCC2 ZINC000067947795 563494267 /nfs/dbraw/zinc/49/42/67/563494267.db2.gz RRBBOBLACWOPPR-CYBMUJFWSA-N 1 0 313.420 3.524 50 0 DHAARO C[C@H](Nc1ncnc2c1CC[NH2+]C2)c1ccc(C(C)(C)C)cc1 ZINC000067955517 563494312 /nfs/dbraw/zinc/49/43/12/563494312.db2.gz KNSFPELHRGZROS-ZDUSSCGKSA-N 1 0 310.445 3.593 50 0 DHAARO CCCCc1nc(CN2CCC[N@@H+](C3CCCCC3)CC2)c[nH]1 ZINC000077484997 563511183 /nfs/dbraw/zinc/51/11/83/563511183.db2.gz KHLVSFCHIUCKRB-UHFFFAOYSA-N 1 0 318.509 3.593 50 0 DHAARO CCOC(=O)N(C)c1ccc(NC2CC[NH+](C(C)C)CC2)cc1 ZINC000097082119 563518456 /nfs/dbraw/zinc/51/84/56/563518456.db2.gz BISKRHFZDQPYRM-UHFFFAOYSA-N 1 0 319.449 3.564 50 0 DHAARO C[N@@H+]1CCCC[C@H]1CCc1nc(-c2ccco2)nn1C(C)(C)C ZINC000096136406 563533598 /nfs/dbraw/zinc/53/35/98/563533598.db2.gz GJYCZJONTJVXMM-AWEZNQCLSA-N 1 0 316.449 3.710 50 0 DHAARO c1sc(CN2CC(c3cccnc3)C2)nc1-c1ccccc1 ZINC000097394361 563539172 /nfs/dbraw/zinc/53/91/72/563539172.db2.gz FWZKTEVASINMTI-UHFFFAOYSA-N 1 0 307.422 3.805 50 0 DHAARO COC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000097609976 563540201 /nfs/dbraw/zinc/54/02/01/563540201.db2.gz KETZQSJOYPLHRL-KRWDZBQOSA-N 1 0 319.836 3.527 50 0 DHAARO c1ccc2c(c1)Cc1cc(CN3CC[C@@H]([NH+]4CCCC4)C3)ccc1-2 ZINC000097618970 563541271 /nfs/dbraw/zinc/54/12/71/563541271.db2.gz XBEPMQNVHRSOPK-HXUWFJFHSA-N 1 0 318.464 3.928 50 0 DHAARO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000097757867 563542488 /nfs/dbraw/zinc/54/24/88/563542488.db2.gz BUTXOXVVIDDAJH-CYBMUJFWSA-N 1 0 319.342 3.827 50 0 DHAARO Oc1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000097785520 563542790 /nfs/dbraw/zinc/54/27/90/563542790.db2.gz YROUJKKLHYWXNS-SFHVURJKSA-N 1 0 324.468 3.853 50 0 DHAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000247864445 563574642 /nfs/dbraw/zinc/57/46/42/563574642.db2.gz HZCNSHWYHFMTNK-LZWOXQAQSA-N 1 0 306.475 3.675 50 0 DHAARO CCc1c(C)nc2sc3cc(Br)ccc3[n+]2c1C ZINC000011692179 563587406 /nfs/dbraw/zinc/58/74/06/563587406.db2.gz BZZNTXNEULELPB-UHFFFAOYSA-N 1 0 322.251 3.977 50 0 DHAARO COc1ccc(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000346094 563589416 /nfs/dbraw/zinc/58/94/16/563589416.db2.gz AUKJZULEGLNIQI-IBGZPJMESA-N 1 0 309.409 3.758 50 0 DHAARO COc1ccc([C@@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000340712 563589521 /nfs/dbraw/zinc/58/95/21/563589521.db2.gz DEEATEZDZDETJW-VQTJNVASSA-N 1 0 311.425 3.608 50 0 DHAARO COc1cc(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1O ZINC000129923938 563605957 /nfs/dbraw/zinc/60/59/57/563605957.db2.gz JTVQGSKMFZZMQS-CHWSQXEVSA-N 1 0 317.351 3.654 50 0 DHAARO COc1ccc(OC)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000004685544 563637100 /nfs/dbraw/zinc/63/71/00/563637100.db2.gz RNAZZCLERJJNDA-UHFFFAOYSA-N 1 0 301.430 3.762 50 0 DHAARO C[C@H](NC(=O)CC1=CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454965 563644806 /nfs/dbraw/zinc/64/48/06/563644806.db2.gz VSXAAPCHPFVBBF-RDJZCZTQSA-N 1 0 304.478 3.646 50 0 DHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2F)cc1 ZINC000014188475 563665599 /nfs/dbraw/zinc/66/55/99/563665599.db2.gz YYDWFRWUDPAJRF-UHFFFAOYSA-N 1 0 314.404 3.598 50 0 DHAARO Cc1noc(CCC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000107148414 563682768 /nfs/dbraw/zinc/68/27/68/563682768.db2.gz WHNBNJYPCKYWTM-MLGOLLRUSA-N 1 0 315.417 3.692 50 0 DHAARO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000047752798 563692684 /nfs/dbraw/zinc/69/26/84/563692684.db2.gz YMFVGNOWFWJSNK-UHFFFAOYSA-N 1 0 300.377 3.854 50 0 DHAARO CC(C)CCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000048302227 563695663 /nfs/dbraw/zinc/69/56/63/563695663.db2.gz GQFQUGWISQWOMB-QGZVFWFLSA-N 1 0 316.489 3.971 50 0 DHAARO COc1cc(C[NH2+]Cc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000048301165 563695804 /nfs/dbraw/zinc/69/58/04/563695804.db2.gz RAEZFGZCGQINOC-UHFFFAOYSA-N 1 0 315.413 3.619 50 0 DHAARO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000048374095 563698002 /nfs/dbraw/zinc/69/80/02/563698002.db2.gz HKEXSRJQMGAAOF-IRXDYDNUSA-N 1 0 310.441 3.659 50 0 DHAARO CC(C)[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccc(Cl)cc1 ZINC000048374919 563698314 /nfs/dbraw/zinc/69/83/14/563698314.db2.gz DJYSXOGOMLJHKB-QGZVFWFLSA-N 1 0 304.821 3.526 50 0 DHAARO O=C(Nc1cccc(CNCc2ccco2)c1)c1ccc(F)cc1 ZINC000048781102 563699698 /nfs/dbraw/zinc/69/96/98/563699698.db2.gz DODITMMLENSQNM-UHFFFAOYSA-N 1 0 324.355 3.961 50 0 DHAARO Cc1noc(C)c1CN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000215273243 563704061 /nfs/dbraw/zinc/70/40/61/563704061.db2.gz RHVONDIVKDWGOS-KRWDZBQOSA-N 1 0 310.401 3.895 50 0 DHAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000215181434 563704328 /nfs/dbraw/zinc/70/43/28/563704328.db2.gz BLALFQKWWRWGGB-KRWDZBQOSA-N 1 0 317.433 3.536 50 0 DHAARO CCCn1cc(C[N@H+](C)Cc2cccc3cnccc32)c(C)n1 ZINC000215129586 563704402 /nfs/dbraw/zinc/70/44/02/563704402.db2.gz KOFXPACLXQVVPI-UHFFFAOYSA-N 1 0 308.429 3.782 50 0 DHAARO Cn1ccc2ccc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)cc21 ZINC000215443831 563705801 /nfs/dbraw/zinc/70/58/01/563705801.db2.gz YYUYPQVWNJTVSC-IBGZPJMESA-N 1 0 322.456 3.820 50 0 DHAARO Cc1nccc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)n1 ZINC000215606261 563706181 /nfs/dbraw/zinc/70/61/81/563706181.db2.gz JNNJWLXEFOHDSP-UHFFFAOYSA-N 1 0 306.413 3.646 50 0 DHAARO Cc1ccc(-n2cccn2)c(C[N@H+](C)CCC[C@@H]2CCCO2)c1 ZINC000215568405 563706541 /nfs/dbraw/zinc/70/65/41/563706541.db2.gz PFKUFACNMCZHOD-GOSISDBHSA-N 1 0 313.445 3.572 50 0 DHAARO Oc1ccc2cc(C[N@@H+]3CCC[C@@H](Cn4ccnc4)C3)ccc2c1 ZINC000215580278 563706587 /nfs/dbraw/zinc/70/65/87/563706587.db2.gz HAVMJAHHXNHMRJ-QGZVFWFLSA-N 1 0 321.424 3.654 50 0 DHAARO C[C@H](c1ccon1)N(C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000215849067 563707328 /nfs/dbraw/zinc/70/73/28/563707328.db2.gz RCZJWDHGAZQACK-CYBMUJFWSA-N 1 0 305.447 3.525 50 0 DHAARO CS[C@H](C)CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000215866850 563707290 /nfs/dbraw/zinc/70/72/90/563707290.db2.gz NANSTQJJFYBXEK-CYBMUJFWSA-N 1 0 303.475 3.884 50 0 DHAARO Cc1c2cc(C)ccc2oc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000216146784 563708526 /nfs/dbraw/zinc/70/85/26/563708526.db2.gz NSXVJKFYEFIKHC-AWEZNQCLSA-N 1 0 310.401 3.547 50 0 DHAARO CCOc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000216287941 563709238 /nfs/dbraw/zinc/70/92/38/563709238.db2.gz WJHWMPIEJMYESD-MRXNPFEDSA-N 1 0 322.880 3.799 50 0 DHAARO C[C@@H](CO)[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000225570542 563759421 /nfs/dbraw/zinc/75/94/21/563759421.db2.gz WRJXEJOKBRFYRC-LBPRGKRZSA-N 1 0 301.352 3.831 50 0 DHAARO CCCc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000012411456 563772877 /nfs/dbraw/zinc/77/28/77/563772877.db2.gz ZSUACPZCTXTOEL-JZXOWHBKSA-N 1 0 305.462 3.642 50 0 DHAARO Cc1c(C)n(C[C@H](O)C[NH2+]C2CCCC2)c2c1cccc2Cl ZINC000012421923 563774317 /nfs/dbraw/zinc/77/43/17/563774317.db2.gz GOGHZKVDZPUKCV-OAHLLOKOSA-N 1 0 320.864 3.805 50 0 DHAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000240454705 563776530 /nfs/dbraw/zinc/77/65/30/563776530.db2.gz FYFVMLPYTYOCIF-KGLIPLIRSA-N 1 0 306.837 3.791 50 0 DHAARO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H](O)c1ccc(O)cc1 ZINC000241965606 563777792 /nfs/dbraw/zinc/77/77/92/563777792.db2.gz UUHKXPRLUBBUFM-OVLUMVCASA-N 1 0 303.446 3.763 50 0 DHAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cc(C2CCCCC2)no1 ZINC000244764027 563778993 /nfs/dbraw/zinc/77/89/93/563778993.db2.gz PAAVOHSKKWCJCN-CQSZACIVSA-N 1 0 314.433 3.575 50 0 DHAARO C[N@H+](CCC[C@@H]1CCCO1)CCC(=O)Nc1ccccc1Cl ZINC000244724106 563779256 /nfs/dbraw/zinc/77/92/56/563779256.db2.gz MNSXWVUMNBSGQR-CQSZACIVSA-N 1 0 324.852 3.560 50 0 DHAARO CNc1nc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)cs1 ZINC000244898967 563779854 /nfs/dbraw/zinc/77/98/54/563779854.db2.gz ZESDRMQACXJHBY-MRXNPFEDSA-N 1 0 316.474 3.567 50 0 DHAARO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000051991163 563783342 /nfs/dbraw/zinc/78/33/42/563783342.db2.gz UDBLNKWMZORIJP-STQMWFEESA-N 1 0 305.365 3.692 50 0 DHAARO CC[NH+](CC)CCOC(=O)[C@@H](c1cccs1)[C@@H]1C=CCC1 ZINC000002039595 563798497 /nfs/dbraw/zinc/79/84/97/563798497.db2.gz PAQHBGYZMGCRMG-GDBMZVCRSA-N 1 0 307.459 3.683 50 0 DHAARO Cc1cc(Cl)ccc1C(=O)N[C@H](c1nccn1C)C(C)C ZINC000299799748 563806416 /nfs/dbraw/zinc/80/64/16/563806416.db2.gz ZWELPBQYRHPIRO-AWEZNQCLSA-N 1 0 305.809 3.509 50 0 DHAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000012674143 563809020 /nfs/dbraw/zinc/80/90/20/563809020.db2.gz SUJAQCINCVJIIU-FZKQIMNGSA-N 1 0 312.388 3.894 50 0 DHAARO Cc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)nc1 ZINC000084191508 563824655 /nfs/dbraw/zinc/82/46/55/563824655.db2.gz CKLRQYDRMQHZTD-LJQANCHMSA-N 1 0 312.413 3.648 50 0 DHAARO CC[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000084734134 563830595 /nfs/dbraw/zinc/83/05/95/563830595.db2.gz BJIIIOCIGYJTQY-BLLLJJGKSA-N 1 0 305.372 3.780 50 0 DHAARO C[C@@H]1CCC(C)(C)N1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000662020575 563830697 /nfs/dbraw/zinc/83/06/97/563830697.db2.gz TWVMXSMKWPBYHJ-MRXNPFEDSA-N 1 0 314.473 3.688 50 0 DHAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434625 563832144 /nfs/dbraw/zinc/83/21/44/563832144.db2.gz JKXCTIFAGZFWSE-UGNPJNSGSA-N 1 0 321.505 3.596 50 0 DHAARO Cc1ccc(Cl)c(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020167165 563843153 /nfs/dbraw/zinc/84/31/53/563843153.db2.gz MOVOREHDXHWCSR-HUUCEWRRSA-N 1 0 311.853 3.917 50 0 DHAARO Cc1ccc(Cl)c(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020167168 563843202 /nfs/dbraw/zinc/84/32/02/563843202.db2.gz MOVOREHDXHWCSR-GJZGRUSLSA-N 1 0 311.853 3.917 50 0 DHAARO c1ccc2c(c1)CCC[C@@H]2[N@H+](CCC1OCCCO1)C1CC1 ZINC000075092796 563859383 /nfs/dbraw/zinc/85/93/83/563859383.db2.gz LCFFZHWHNZORHB-SFHVURJKSA-N 1 0 301.430 3.682 50 0 DHAARO CC(C)[C@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)Nc1ccccc1 ZINC000118449296 563869472 /nfs/dbraw/zinc/86/94/72/563869472.db2.gz OWPQJXWAMDZQOM-SFHVURJKSA-N 1 0 314.477 3.864 50 0 DHAARO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000090540296 563871159 /nfs/dbraw/zinc/87/11/59/563871159.db2.gz XNPBLQRQYDQCNS-VNHYZAJKSA-N 1 0 303.537 3.551 50 0 DHAARO Cc1cc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)ccc1C(C)C ZINC000239433963 563880199 /nfs/dbraw/zinc/88/01/99/563880199.db2.gz YUQUOARDRCHJKB-IAGOWNOFSA-N 1 0 305.462 3.733 50 0 DHAARO CCC(=O)O[C@]1(Cc2ccc(CC)cc2)C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248023658 563883200 /nfs/dbraw/zinc/88/32/00/563883200.db2.gz KOYICGYXDCTHSW-GUXCAODWSA-N 1 0 317.473 3.844 50 0 DHAARO Cc1ccc(C)c(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000075572693 563884882 /nfs/dbraw/zinc/88/48/82/563884882.db2.gz FRDHPEGCYCLAQT-UHFFFAOYSA-N 1 0 318.461 3.746 50 0 DHAARO Clc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000064570866 563890574 /nfs/dbraw/zinc/89/05/74/563890574.db2.gz BUPHKALEWBLTTM-HNNXBMFYSA-N 1 0 315.848 3.558 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1 ZINC000036031849 563892294 /nfs/dbraw/zinc/89/22/94/563892294.db2.gz MAPZNZMWFKTVOB-RDJZCZTQSA-N 1 0 319.470 3.789 50 0 DHAARO CCC[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1C ZINC000036099481 563893543 /nfs/dbraw/zinc/89/35/43/563893543.db2.gz RWEXBWFUMRXBGL-KRWDZBQOSA-N 1 0 319.470 3.708 50 0 DHAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036101830 563893895 /nfs/dbraw/zinc/89/38/95/563893895.db2.gz KVQZSNKFMCHHNE-HKUYNNGSSA-N 1 0 307.478 3.629 50 0 DHAARO C[C@H](NC(=O)C1=CC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000064817931 563894157 /nfs/dbraw/zinc/89/41/57/563894157.db2.gz NMJTZMLKEJUVRV-KRWDZBQOSA-N 1 0 320.436 3.696 50 0 DHAARO O=C(NC1CCCCCC1)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817936 563894243 /nfs/dbraw/zinc/89/42/43/563894243.db2.gz KYBULRRBJGIQJV-UHFFFAOYSA-N 1 0 312.457 3.658 50 0 DHAARO COc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](C)C3)o2)cc1 ZINC000036386125 563897533 /nfs/dbraw/zinc/89/75/33/563897533.db2.gz KNYRMWUXLFGZMI-STQMWFEESA-N 1 0 301.390 3.538 50 0 DHAARO O=C(Nc1ccccc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877266 563897956 /nfs/dbraw/zinc/89/79/56/563897956.db2.gz WHIYVOGSIDAVNG-UHFFFAOYSA-N 1 0 321.852 3.680 50 0 DHAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000006936291 563900123 /nfs/dbraw/zinc/90/01/23/563900123.db2.gz WNOXUDZNUVFWLM-WSTZPKSXSA-N 1 0 317.473 3.706 50 0 DHAARO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc2cc(Cl)ccc2o1 ZINC000170065680 563903631 /nfs/dbraw/zinc/90/36/31/563903631.db2.gz RZYBPQYEYUABPM-MKXJDEKUSA-N 1 0 313.850 3.894 50 0 DHAARO Cc1cccc(N2CC[NH+](CCOc3cc(C)ccc3C)CC2)c1 ZINC000089672767 563910881 /nfs/dbraw/zinc/91/08/81/563910881.db2.gz OYWPRXIFXGEQAF-UHFFFAOYSA-N 1 0 324.468 3.813 50 0 DHAARO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1C ZINC000076057656 563912131 /nfs/dbraw/zinc/91/21/31/563912131.db2.gz XBYCEBRGVQNPMY-HKUYNNGSSA-N 1 0 316.489 3.594 50 0 DHAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000076056529 563912222 /nfs/dbraw/zinc/91/22/22/563912222.db2.gz VONAIJUBCQOQJP-IIYDPXPESA-N 1 0 320.864 3.638 50 0 DHAARO C[C@@H](CCn1cncn1)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000090034592 563912614 /nfs/dbraw/zinc/91/26/14/563912614.db2.gz HLDUSLIEUJBYKV-RYUDHWBXSA-N 1 0 318.808 3.807 50 0 DHAARO CC(C)(C)[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000054397200 563912970 /nfs/dbraw/zinc/91/29/70/563912970.db2.gz WETPLCDCMODJGR-LJQANCHMSA-N 1 0 321.424 3.572 50 0 DHAARO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2OCC(F)(F)F)C[C@H](C)O1 ZINC000252511217 563916545 /nfs/dbraw/zinc/91/65/45/563916545.db2.gz FBLSKQUVMNXLMI-AICCOOGYSA-N 1 0 323.399 3.670 50 0 DHAARO Cc1sc2[nH]c([C@@H](C)N3C[C@H](C)C[C@H](C)C3)nc(=O)c2c1C ZINC000007738209 563918504 /nfs/dbraw/zinc/91/85/04/563918504.db2.gz KOUMTNYUKLAYJE-JFGNBEQYSA-N 1 0 319.474 3.640 50 0 DHAARO CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000037619325 563919265 /nfs/dbraw/zinc/91/92/65/563919265.db2.gz OSLLVFGCOKJNNK-TVQRCGJNSA-N 1 0 303.233 3.688 50 0 DHAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000195575844 563919810 /nfs/dbraw/zinc/91/98/10/563919810.db2.gz SYQIZYSEWALVKY-LPHOPBHVSA-N 1 0 307.478 3.639 50 0 DHAARO Fc1cccc(COc2ccc(C[NH2+]C[C@H]3CCCO3)cc2)c1 ZINC000139286823 563924324 /nfs/dbraw/zinc/92/43/24/563924324.db2.gz OVCYRHBRFZBOLV-LJQANCHMSA-N 1 0 315.388 3.673 50 0 DHAARO Cc1ccccc1[C@H]1CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000225444112 563928190 /nfs/dbraw/zinc/92/81/90/563928190.db2.gz WEABRRZHMVYCHS-RTBURBONSA-N 1 0 308.425 3.749 50 0 DHAARO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@H](O)c1ccccc1 ZINC000020312721 563930888 /nfs/dbraw/zinc/93/08/88/563930888.db2.gz HTMPOPZDCKLWDK-LRDDRELGSA-N 1 0 309.331 3.917 50 0 DHAARO C[C@@H]([NH2+]C1CCN(C(=O)C2CCCCC2)CC1)c1ccsc1 ZINC000095420259 563931333 /nfs/dbraw/zinc/93/13/33/563931333.db2.gz WMSWDAJLFIDGHE-CQSZACIVSA-N 1 0 320.502 3.970 50 0 DHAARO COc1ccc2[nH]c3c(c2c1)C[N@H+](CCCc1cccnc1)CC3 ZINC000020538289 563931747 /nfs/dbraw/zinc/93/17/47/563931747.db2.gz MMJJIHUJRSWAFJ-UHFFFAOYSA-N 1 0 321.424 3.562 50 0 DHAARO C[C@@H]([NH2+]Cc1nnc2ccccn21)c1cccc2ccccc21 ZINC000095948605 563932134 /nfs/dbraw/zinc/93/21/34/563932134.db2.gz FGWBYKYMVSQFTL-CQSZACIVSA-N 1 0 302.381 3.733 50 0 DHAARO COc1ccccc1[C@@H](C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000095967620 563932846 /nfs/dbraw/zinc/93/28/46/563932846.db2.gz JYEGPLNMVKJLLC-INIZCTEOSA-N 1 0 316.489 3.795 50 0 DHAARO Cc1cccc(CC[C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000095967334 563932984 /nfs/dbraw/zinc/93/29/84/563932984.db2.gz WYLHNZZWYGQJIS-INIZCTEOSA-N 1 0 303.446 3.591 50 0 DHAARO CC[C@]1(O)c2ccccc2[C@H](c2ccccc2)[C@@]1(C)C[NH+](C)C ZINC000096027194 563935180 /nfs/dbraw/zinc/93/51/80/563935180.db2.gz HLOMJYSWLVTBHK-HBMCJLEFSA-N 1 0 309.453 3.998 50 0 DHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(Cl)cc1 ZINC000002468606 563938024 /nfs/dbraw/zinc/93/80/24/563938024.db2.gz NRQJUWUODUFPCL-BETUJISGSA-N 1 0 309.841 3.724 50 0 DHAARO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 ZINC000055553779 563938451 /nfs/dbraw/zinc/93/84/51/563938451.db2.gz DSCGRXUPMRYUMU-INIZCTEOSA-N 1 0 316.445 3.702 50 0 DHAARO CCN(c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)C(C)C ZINC000002641369 563940135 /nfs/dbraw/zinc/94/01/35/563940135.db2.gz BBAIWQWTKDPXEB-UHFFFAOYSA-N 1 0 317.477 3.736 50 0 DHAARO Fc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000230090087 563941667 /nfs/dbraw/zinc/94/16/67/563941667.db2.gz FWDWJYVLLCCLDI-CXAGYDPISA-N 1 0 305.393 3.847 50 0 DHAARO CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000230289388 563942226 /nfs/dbraw/zinc/94/22/26/563942226.db2.gz QBNWOOBCEQVTKT-HKUYNNGSSA-N 1 0 319.493 3.740 50 0 DHAARO CCc1cc2c(C[NH2+][C@H](C)c3ccccc3)cc(=O)oc2cc1O ZINC000057886704 563943144 /nfs/dbraw/zinc/94/31/44/563943144.db2.gz WGCRXLOGKOQKTC-CYBMUJFWSA-N 1 0 323.392 3.912 50 0 DHAARO C[N@H+](Cc1cccc2cccnc21)C1CSCCSC1 ZINC000670441965 563943856 /nfs/dbraw/zinc/94/38/56/563943856.db2.gz MNMNKIKBTDBQMS-UHFFFAOYSA-N 1 0 304.484 3.515 50 0 DHAARO CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008267415 563947398 /nfs/dbraw/zinc/94/73/98/563947398.db2.gz WLKDIYJMYUEKKD-JKSUJKDBSA-N 1 0 316.445 3.536 50 0 DHAARO COCc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000068320271 563951131 /nfs/dbraw/zinc/95/11/31/563951131.db2.gz MVLLYSFAGDMQCQ-IBGZPJMESA-N 1 0 324.424 3.609 50 0 DHAARO CC(C)[N@H+](C)CCCCNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000069371170 563952445 /nfs/dbraw/zinc/95/24/45/563952445.db2.gz BKNSTDIYYODAQY-UHFFFAOYSA-N 1 0 322.836 3.936 50 0 DHAARO C[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)[C@H](C)n1cccn1 ZINC000069442844 563952890 /nfs/dbraw/zinc/95/28/90/563952890.db2.gz ZLGVPEIKEWLYQU-NEPJUHHUSA-N 1 0 318.471 3.807 50 0 DHAARO Cc1ccccc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000069530626 563953325 /nfs/dbraw/zinc/95/33/25/563953325.db2.gz CEASSICATQQQFQ-UHFFFAOYSA-N 1 0 323.440 3.753 50 0 DHAARO CCC[C@H](C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000069670228 563954080 /nfs/dbraw/zinc/95/40/80/563954080.db2.gz IAUJYJZCZLNYLC-AWEZNQCLSA-N 1 0 308.491 3.513 50 0 DHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000010017722 563958198 /nfs/dbraw/zinc/95/81/98/563958198.db2.gz SHJGRJGIHMCXBW-INIZCTEOSA-N 1 0 317.820 3.764 50 0 DHAARO CC(C)c1nccn1[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000071870852 563959348 /nfs/dbraw/zinc/95/93/48/563959348.db2.gz CPMBBYFRJYUIEL-CVEARBPZSA-N 1 0 301.434 3.526 50 0 DHAARO c1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000078394270 563960962 /nfs/dbraw/zinc/96/09/62/563960962.db2.gz SGVVTJJNGRCGSU-LJQANCHMSA-N 1 0 322.456 3.634 50 0 DHAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)c(OC)c1 ZINC000002738520 568414153 /nfs/dbraw/zinc/41/41/53/568414153.db2.gz RMCYHCZSSFHTNV-UHFFFAOYSA-N 1 0 305.805 3.690 50 0 DHAARO Cc1ccc(C)c(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000045948017 568415452 /nfs/dbraw/zinc/41/54/52/568415452.db2.gz UYOIDSJLDKQYOB-MRXNPFEDSA-N 1 0 317.477 3.937 50 0 DHAARO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1ccccc1-n1cccn1 ZINC000221702768 568416491 /nfs/dbraw/zinc/41/64/91/568416491.db2.gz HQKWLGOITZYIKZ-IAGOWNOFSA-N 1 0 301.459 3.588 50 0 DHAARO Cc1ccc(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000084183011 568417838 /nfs/dbraw/zinc/41/78/38/568417838.db2.gz SHFNSQHTHHWPEC-XJKSGUPXSA-N 1 0 321.852 3.596 50 0 DHAARO Cc1ccc(C[NH2+][C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000089633231 568420299 /nfs/dbraw/zinc/42/02/99/568420299.db2.gz AOCYPHLCTCQHHF-QZTJIDSGSA-N 1 0 324.468 3.611 50 0 DHAARO