smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@@H+]2C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C1 ZINC000102393365 219199876 /nfs/dbraw/zinc/19/98/76/219199876.db2.gz VBIGHTCLRHISHE-HTBDUDNFSA-N 2 1 330.476 1.653 50 0 EDAAMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2 ZINC000102393365 219199879 /nfs/dbraw/zinc/19/98/79/219199879.db2.gz VBIGHTCLRHISHE-HTBDUDNFSA-N 2 1 330.476 1.653 50 0 EDAAMP C[N@@H+](Cc1ccccc1OCCN1CC[NH+](C)CC1)C1CCOCC1 ZINC000215254948 241114921 /nfs/dbraw/zinc/11/49/21/241114921.db2.gz GMUPFJVHACEJMG-UHFFFAOYSA-N 2 1 347.503 1.924 50 0 EDAAMP CN1CC[NH+](CCOc2ccccc2C[N@H+](C)C2CCOCC2)CC1 ZINC000215254948 241114937 /nfs/dbraw/zinc/11/49/37/241114937.db2.gz GMUPFJVHACEJMG-UHFFFAOYSA-N 2 1 347.503 1.924 50 0 EDAAMP CN1CC[NH+](CCOc2ccccc2C[N@@H+](C)C2CCOCC2)CC1 ZINC000215254948 241114941 /nfs/dbraw/zinc/11/49/41/241114941.db2.gz GMUPFJVHACEJMG-UHFFFAOYSA-N 2 1 347.503 1.924 50 0 EDAAMP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCCc1ccco1)C2 ZINC000219226449 241369027 /nfs/dbraw/zinc/36/90/27/241369027.db2.gz BQFUAVTXXYMSDY-GOSISDBHSA-N 2 1 332.448 1.910 50 0 EDAAMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC2CC[NH+](CCO)CC2)[C@@H]1C ZINC000069668398 203035507 /nfs/dbraw/zinc/03/55/07/203035507.db2.gz OXEKQOJMDFZNEQ-NUJGCVRESA-N 2 1 339.524 1.563 50 0 EDAAMP O=C(NCCO)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071765095 203111200 /nfs/dbraw/zinc/11/12/00/203111200.db2.gz OYCBNTWWZJPRMF-SFHVURJKSA-N 2 1 345.487 1.472 50 0 EDAAMP O=C(NCCO)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071765095 203111203 /nfs/dbraw/zinc/11/12/03/203111203.db2.gz OYCBNTWWZJPRMF-SFHVURJKSA-N 2 1 345.487 1.472 50 0 EDAAMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000071883697 203137475 /nfs/dbraw/zinc/13/74/75/203137475.db2.gz XJRHEDWNBPTBMT-GOSISDBHSA-N 2 1 330.476 1.990 50 0 EDAAMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000071883697 203137476 /nfs/dbraw/zinc/13/74/76/203137476.db2.gz XJRHEDWNBPTBMT-GOSISDBHSA-N 2 1 330.476 1.990 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)nn1C)CC[NH+](C)CC2 ZINC000072473278 203230842 /nfs/dbraw/zinc/23/08/42/203230842.db2.gz IAZKDXZIIOUCKL-QGZVFWFLSA-N 2 1 347.507 1.541 50 0 EDAAMP Cc1cc(N2CC[N@@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000075128539 203304936 /nfs/dbraw/zinc/30/49/36/203304936.db2.gz XFGUHVIWXZXSOU-ZBFHGGJFSA-N 2 1 327.432 1.611 50 0 EDAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CCCS2(=O)=O)cc1 ZINC000089519504 441558370 /nfs/dbraw/zinc/55/83/70/441558370.db2.gz FNTOAFIRFUAELE-AWEZNQCLSA-N 2 1 348.472 1.867 50 0 EDAAMP Cc1cc(C[N@H+]2CC[C@H](CNC(=O)C[NH+]3CCCCCC3)C2)[nH]n1 ZINC000067896059 441694275 /nfs/dbraw/zinc/69/42/75/441694275.db2.gz MMAYFSBPQVUFBW-MRXNPFEDSA-N 2 1 333.480 1.532 50 0 EDAAMP C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000067739427 441675040 /nfs/dbraw/zinc/67/50/40/441675040.db2.gz XQOLEWDZCXHUPQ-INIZCTEOSA-N 2 1 331.464 1.095 50 0 EDAAMP CC[NH+]1CCC(CC(=O)N2CC[NH+](CCn3cccc3)CC2)CC1 ZINC000095368547 441913662 /nfs/dbraw/zinc/91/36/62/441913662.db2.gz ONSPKCFLNTUBIP-UHFFFAOYSA-N 2 1 332.492 1.754 50 0 EDAAMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)oc1C ZINC000237723289 443180631 /nfs/dbraw/zinc/18/06/31/443180631.db2.gz LWOKCJMMUBXIJZ-HOTGVXAUSA-N 2 1 334.464 1.747 50 0 EDAAMP CN(CC[N@@H+](C)C1CC1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000343072182 445042645 /nfs/dbraw/zinc/04/26/45/445042645.db2.gz DDJGBGFINWQOOJ-MRXNPFEDSA-N 2 1 325.522 1.757 50 0 EDAAMP C[NH+](C)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000354080318 445891508 /nfs/dbraw/zinc/89/15/08/445891508.db2.gz SGDRWUTYXZHJOX-INIZCTEOSA-N 2 1 345.422 2.167 50 0 EDAAMP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000408523589 447675877 /nfs/dbraw/zinc/67/58/77/447675877.db2.gz LPJBOOHFNXTLBH-UHFFFAOYSA-N 2 1 337.439 1.979 50 0 EDAAMP Cc1cccc(NC[C@@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)[nH+]1 ZINC000097200935 201382132 /nfs/dbraw/zinc/38/21/32/201382132.db2.gz BWESNIGRAAOEBH-AWEZNQCLSA-N 2 1 345.447 1.454 50 0 EDAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)[nH+]1 ZINC000097200935 201382136 /nfs/dbraw/zinc/38/21/36/201382136.db2.gz BWESNIGRAAOEBH-AWEZNQCLSA-N 2 1 345.447 1.454 50 0 EDAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC2CCC(C)CC2)CC1 ZINC000069818264 203053891 /nfs/dbraw/zinc/05/38/91/203053891.db2.gz ZLBYHVAOFWVZCA-UPTPFMHGSA-N 2 1 339.524 1.706 50 0 EDAAMP CN(Cc1nccn1C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071479421 203099136 /nfs/dbraw/zinc/09/91/36/203099136.db2.gz WFUITJJWQPUXAH-OAHLLOKOSA-N 2 1 333.480 1.185 50 0 EDAAMP CN(Cc1nccn1C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071479421 203099139 /nfs/dbraw/zinc/09/91/39/203099139.db2.gz WFUITJJWQPUXAH-OAHLLOKOSA-N 2 1 333.480 1.185 50 0 EDAAMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C1 ZINC000071909040 203146058 /nfs/dbraw/zinc/14/60/58/203146058.db2.gz COZDHFKPKHNAFI-SFHVURJKSA-N 2 1 330.476 1.727 50 0 EDAAMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000077300395 203378145 /nfs/dbraw/zinc/37/81/45/203378145.db2.gz CWVSITWUKGOYHQ-SFHVURJKSA-N 2 1 331.460 1.739 50 0 EDAAMP O=C1[C@H]2CC[C@H](C[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)N1Cc1ccccc1 ZINC000102000968 204028529 /nfs/dbraw/zinc/02/85/29/204028529.db2.gz BHPVLBAHIPWZAD-ZWJWXYIHSA-N 2 1 325.456 1.575 50 0 EDAAMP C[NH+]1CCC([NH+]2CCC(CNC(=O)c3csc(N)n3)CC2)CC1 ZINC000299771978 258084469 /nfs/dbraw/zinc/08/44/69/258084469.db2.gz YPKXDKSSMKTRCN-UHFFFAOYSA-N 2 1 337.493 1.261 50 0 EDAAMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071871537 287002036 /nfs/dbraw/zinc/00/20/36/287002036.db2.gz HRFFHMMXXXXMIF-SJLPKXTDSA-N 2 1 339.524 1.802 50 0 EDAAMP CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067894232 278082252 /nfs/dbraw/zinc/08/22/52/278082252.db2.gz WOXIZYMYNQFMQU-MRXNPFEDSA-N 2 1 347.507 1.806 50 0 EDAAMP C[NH+]1CCC(O)(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000097602480 441141836 /nfs/dbraw/zinc/14/18/36/441141836.db2.gz DGHNMHVJLFMJCY-GOSISDBHSA-N 2 1 345.487 1.472 50 0 EDAAMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H]1c1ccccc1)C2=O ZINC000014159076 441174833 /nfs/dbraw/zinc/17/48/33/441174833.db2.gz WWQFYTQJMQTDMR-MRXNPFEDSA-N 2 1 342.443 1.797 50 0 EDAAMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H]1c1ccccc1)C2=O ZINC000014159076 441174836 /nfs/dbraw/zinc/17/48/36/441174836.db2.gz WWQFYTQJMQTDMR-MRXNPFEDSA-N 2 1 342.443 1.797 50 0 EDAAMP C[N@@H+]1CCC[C@H](CCNC(=O)C2([NH+]3CCOCC3)CCCCC2)C1 ZINC000067743602 441675060 /nfs/dbraw/zinc/67/50/60/441675060.db2.gz WDSXUWHSYSZKNF-QGZVFWFLSA-N 2 1 337.508 1.870 50 0 EDAAMP C[N@H+]1CCC[C@H](CCNC(=O)C2([NH+]3CCOCC3)CCCCC2)C1 ZINC000067743602 441675064 /nfs/dbraw/zinc/67/50/64/441675064.db2.gz WDSXUWHSYSZKNF-QGZVFWFLSA-N 2 1 337.508 1.870 50 0 EDAAMP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+](C(C)C)C3)CC2)nc(N)[nH+]1 ZINC000095513119 441944005 /nfs/dbraw/zinc/94/40/05/441944005.db2.gz GIBQJDNAQMVGMH-OAHLLOKOSA-N 2 1 346.479 1.136 50 0 EDAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000237606720 443176422 /nfs/dbraw/zinc/17/64/22/443176422.db2.gz GZNRZZPAODTPBA-CALCHBBNSA-N 2 1 336.524 1.393 50 0 EDAAMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)CCO1 ZINC000299739611 444129124 /nfs/dbraw/zinc/12/91/24/444129124.db2.gz QPOAISAYYWVOHQ-DNVCBOLYSA-N 2 1 343.471 1.413 50 0 EDAAMP COCC[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](C3CCCCC3)CC2)C1 ZINC000584892621 448666965 /nfs/dbraw/zinc/66/69/65/448666965.db2.gz KOZMWRUOEXETKD-QGZVFWFLSA-N 2 1 337.508 1.822 50 0 EDAAMP COCC[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)C1 ZINC000584892621 448666968 /nfs/dbraw/zinc/66/69/68/448666968.db2.gz KOZMWRUOEXETKD-QGZVFWFLSA-N 2 1 337.508 1.822 50 0 EDAAMP COCC[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](C3CCCCC3)CC2)C1 ZINC000584892621 448666973 /nfs/dbraw/zinc/66/69/73/448666973.db2.gz KOZMWRUOEXETKD-QGZVFWFLSA-N 2 1 337.508 1.822 50 0 EDAAMP CN(CCn1cccn1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071762664 203110863 /nfs/dbraw/zinc/11/08/63/203110863.db2.gz NMMQSFHJSGOTIY-INIZCTEOSA-N 2 1 333.480 1.148 50 0 EDAAMP CN(CCn1cccn1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071762664 203110866 /nfs/dbraw/zinc/11/08/66/203110866.db2.gz NMMQSFHJSGOTIY-INIZCTEOSA-N 2 1 333.480 1.148 50 0 EDAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCCCNc1cccnc1)CC[NH2+]CC2 ZINC000072476730 203231560 /nfs/dbraw/zinc/23/15/60/203231560.db2.gz RVQPKPIWARRZMA-INIZCTEOSA-N 2 1 331.464 1.074 50 0 EDAAMP COCCN(C)C[C@H](O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000408519094 250299322 /nfs/dbraw/zinc/29/93/22/250299322.db2.gz ZDRSLFAKGQFLPQ-INIZCTEOSA-N 2 1 344.459 1.591 50 0 EDAAMP COCCN(C)C[C@H](O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000408519094 250299324 /nfs/dbraw/zinc/29/93/24/250299324.db2.gz ZDRSLFAKGQFLPQ-INIZCTEOSA-N 2 1 344.459 1.591 50 0 EDAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237607219 257944799 /nfs/dbraw/zinc/94/47/99/257944799.db2.gz SJMQQYHYWMRLKN-SCTDSRPQSA-N 2 1 336.524 1.393 50 0 EDAAMP C[NH+]1CCC(N(Cc2cccnc2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000072127381 289881243 /nfs/dbraw/zinc/88/12/43/289881243.db2.gz NASHILRMUSMBRJ-UHFFFAOYSA-N 2 1 331.464 1.345 50 0 EDAAMP O[C@H]1CCCN(c2cc[nH+]c(NCCC34CCC[NH+]3CCC4)n2)C1 ZINC000065405473 441427277 /nfs/dbraw/zinc/42/72/77/441427277.db2.gz XMJCRJFDOJGNAQ-HNNXBMFYSA-N 2 1 331.464 1.868 50 0 EDAAMP CCn1c(=O)n(Cc2cn3cccc(C)c3[nH+]2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067817076 441683158 /nfs/dbraw/zinc/68/31/58/441683158.db2.gz AHNAQPLHKQRSKK-CQSZACIVSA-N 2 1 340.431 1.536 50 0 EDAAMP CN1CC[N@@H+](C[C@@H]2CCOc3ccccc3C2)CC12CC[NH2+]CC2 ZINC000095496843 441937821 /nfs/dbraw/zinc/93/78/21/441937821.db2.gz QJJRBRHXMWAYDO-QGZVFWFLSA-N 2 1 329.488 1.997 50 0 EDAAMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1COCC[NH2+]1 ZINC000166674706 442217791 /nfs/dbraw/zinc/21/77/91/442217791.db2.gz VCEUIQBHGOTRRB-GOSISDBHSA-N 2 1 331.460 1.667 50 0 EDAAMP Cc1ccc[nH+]c1NCCNC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000252675856 443047127 /nfs/dbraw/zinc/04/71/27/443047127.db2.gz VHBRUVAYBZPODJ-OKILXGFUSA-N 2 1 343.435 1.266 50 0 EDAAMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)CCO1 ZINC000237773137 443182514 /nfs/dbraw/zinc/18/25/14/443182514.db2.gz QPOAISAYYWVOHQ-KXBFYZLASA-N 2 1 343.471 1.413 50 0 EDAAMP COCCn1c(C[N@@H+]2CCC3(CCCC3)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244763788 443214572 /nfs/dbraw/zinc/21/45/72/443214572.db2.gz OVQBAHBEGGPOIJ-SHTZXODSSA-N 2 1 333.480 1.895 50 0 EDAAMP COCCn1c(C[N@H+]2CCC3(CCCC3)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244763788 443214574 /nfs/dbraw/zinc/21/45/74/443214574.db2.gz OVQBAHBEGGPOIJ-SHTZXODSSA-N 2 1 333.480 1.895 50 0 EDAAMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012752765 710901217 /nfs/dbraw/zinc/90/12/17/710901217.db2.gz GGBVDBCAMROYCX-GOSISDBHSA-N 2 1 337.508 1.870 50 0 EDAAMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012752765 710901219 /nfs/dbraw/zinc/90/12/19/710901219.db2.gz GGBVDBCAMROYCX-GOSISDBHSA-N 2 1 337.508 1.870 50 0 EDAAMP Cc1[nH+]ccn1CCN(C)c1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000071721343 203105591 /nfs/dbraw/zinc/10/55/91/203105591.db2.gz LOKTUXCXBJHNJW-UHFFFAOYSA-N 2 1 349.442 1.826 50 0 EDAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ncc[nH]1)C2 ZINC000072161849 203177980 /nfs/dbraw/zinc/17/79/80/203177980.db2.gz HQMGCSWFPXOOAW-LMMKCTJWSA-N 2 1 348.491 1.749 50 0 EDAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1ncc[nH]1)C2 ZINC000072161849 203177983 /nfs/dbraw/zinc/17/79/83/203177983.db2.gz HQMGCSWFPXOOAW-LMMKCTJWSA-N 2 1 348.491 1.749 50 0 EDAAMP COCCC[NH+]1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000091462259 203635846 /nfs/dbraw/zinc/63/58/46/203635846.db2.gz PVCAUEFNHHRHAC-UHFFFAOYSA-N 2 1 332.452 1.584 50 0 EDAAMP Cc1cccc(C[N@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000092022377 281217044 /nfs/dbraw/zinc/21/70/44/281217044.db2.gz YZTYDSDGXICFJM-IBGZPJMESA-N 2 1 333.476 1.685 50 0 EDAAMP CC[N@H+](C)C1(CNc2cc([C@H]3CCOC3)[nH+]c(N)n2)CCCCC1 ZINC000426370502 447427678 /nfs/dbraw/zinc/42/76/78/447427678.db2.gz MEBYQBJGJASIAK-AWEZNQCLSA-N 2 1 333.480 2.051 50 0 EDAAMP CC[N@@H+](C)C1(CNc2cc([C@H]3CCOC3)[nH+]c(N)n2)CCCCC1 ZINC000426370502 447427681 /nfs/dbraw/zinc/42/76/81/447427681.db2.gz MEBYQBJGJASIAK-AWEZNQCLSA-N 2 1 333.480 2.051 50 0 EDAAMP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000095359282 441912374 /nfs/dbraw/zinc/91/23/74/441912374.db2.gz ITMGWOOTIWNZFU-CYBMUJFWSA-N 2 1 333.407 1.725 50 0 EDAAMP COCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000095359282 441912380 /nfs/dbraw/zinc/91/23/80/441912380.db2.gz ITMGWOOTIWNZFU-CYBMUJFWSA-N 2 1 333.407 1.725 50 0 EDAAMP CS(=O)(=O)N1CCC([NH2+][C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000095422245 441925617 /nfs/dbraw/zinc/92/56/17/441925617.db2.gz OJBAMEBLFFDMSW-INIZCTEOSA-N 2 1 343.537 1.797 50 0 EDAAMP CS(=O)(=O)N1CCC([NH2+][C@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000095422245 441925622 /nfs/dbraw/zinc/92/56/22/441925622.db2.gz OJBAMEBLFFDMSW-INIZCTEOSA-N 2 1 343.537 1.797 50 0 EDAAMP COCC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000097172970 442178533 /nfs/dbraw/zinc/17/85/33/442178533.db2.gz ICAHFLACWYBLDN-SFHVURJKSA-N 2 1 331.460 1.518 50 0 EDAAMP COCC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000097172972 442179052 /nfs/dbraw/zinc/17/90/52/442179052.db2.gz ICAHFLACWYBLDN-GOSISDBHSA-N 2 1 331.460 1.518 50 0 EDAAMP C[NH+](C)[C@@H](C(=O)N1CCC([N@H+](C)CCO)CC1)c1cccc(F)c1 ZINC000222405900 443077689 /nfs/dbraw/zinc/07/76/89/443077689.db2.gz HZSJJNTTXLUIEE-QGZVFWFLSA-N 2 1 337.439 1.344 50 0 EDAAMP C[NH+](C)[C@@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)c1cccc(F)c1 ZINC000222405900 443077691 /nfs/dbraw/zinc/07/76/91/443077691.db2.gz HZSJJNTTXLUIEE-QGZVFWFLSA-N 2 1 337.439 1.344 50 0 EDAAMP C[NH+]1CCC(NC(=O)[C@@]2(CCO)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000257191095 443121605 /nfs/dbraw/zinc/12/16/05/443121605.db2.gz OXIZUNGBOBKLQN-HXUWFJFHSA-N 2 1 345.487 1.472 50 0 EDAAMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000237671925 443178938 /nfs/dbraw/zinc/17/89/38/443178938.db2.gz HZRCYKZOIFCQDJ-YJBOKZPZSA-N 2 1 331.460 1.523 50 0 EDAAMP Cc1cc(N2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000242191404 443210334 /nfs/dbraw/zinc/21/03/34/443210334.db2.gz XFGUHVIWXZXSOU-GDBMZVCRSA-N 2 1 327.432 1.611 50 0 EDAAMP OC[C@@]1(O)CC[N@@H+](Cc2ccccc2OCCC[NH+]2CCCCC2)C1 ZINC000216116530 241168583 /nfs/dbraw/zinc/16/85/83/241168583.db2.gz OACQVYABYRTVLV-HXUWFJFHSA-N 2 1 348.487 1.871 50 0 EDAAMP CC[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC000069739230 203043617 /nfs/dbraw/zinc/04/36/17/203043617.db2.gz HZTMICLIZCJDJM-QZTJIDSGSA-N 2 1 327.513 1.122 50 0 EDAAMP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072146215 203169267 /nfs/dbraw/zinc/16/92/67/203169267.db2.gz XMMZQBZZIHTKLD-GOSISDBHSA-N 2 1 343.471 1.067 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1nc(CC)no1)CC[NH+](C)CC2 ZINC000072463594 203229432 /nfs/dbraw/zinc/22/94/32/203229432.db2.gz XQKLDYWBJANZOL-AWEZNQCLSA-N 2 1 349.479 1.445 50 0 EDAAMP C[N@H+]1CC2(C[C@@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH2+]CC2 ZINC000072410349 203217351 /nfs/dbraw/zinc/21/73/51/203217351.db2.gz UENJZTZEAXBZGD-GOSISDBHSA-N 2 1 343.471 1.957 50 0 EDAAMP C[N@H+]1CC[C@@H](CNc2ncnc3c2CC[NH+](C2CCOCC2)CC3)C1 ZINC000072411519 203218095 /nfs/dbraw/zinc/21/80/95/203218095.db2.gz KKKFRPXWUKZAMJ-HNNXBMFYSA-N 2 1 345.491 1.420 50 0 EDAAMP C[NH+]1CC[C@@H](CNc2ncnc3c2CC[N@@H+](C2CCOCC2)CC3)C1 ZINC000072411519 203218097 /nfs/dbraw/zinc/21/80/97/203218097.db2.gz KKKFRPXWUKZAMJ-HNNXBMFYSA-N 2 1 345.491 1.420 50 0 EDAAMP C[NH+]1CC[C@@H](CNc2ncnc3c2CC[N@H+](C2CCOCC2)CC3)C1 ZINC000072411519 203218100 /nfs/dbraw/zinc/21/81/00/203218100.db2.gz KKKFRPXWUKZAMJ-HNNXBMFYSA-N 2 1 345.491 1.420 50 0 EDAAMP O[C@]1(C[NH2+]CCCSCc2ccc(F)cc2)C[NH2+]CCOC1 ZINC000077386547 203384403 /nfs/dbraw/zinc/38/44/03/203384403.db2.gz RLUGZBOWYPWOQZ-MRXNPFEDSA-N 2 1 328.453 1.390 50 0 EDAAMP O[C@]1(C[NH2+]CCc2nc(-c3ccccc3)cs2)C[NH2+]CCOC1 ZINC000077378331 203385348 /nfs/dbraw/zinc/38/53/48/203385348.db2.gz MFSJVERUWMZRRO-QGZVFWFLSA-N 2 1 333.457 1.293 50 0 EDAAMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000102829922 204052178 /nfs/dbraw/zinc/05/21/78/204052178.db2.gz VWHOGUFEZBVXQW-BWTSREIZSA-N 2 1 327.472 1.619 50 0 EDAAMP CNc1nc(N2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)cc(C)[nH+]1 ZINC000106943367 204221679 /nfs/dbraw/zinc/22/16/79/204221679.db2.gz IMBYBJFXQSSNMF-KRWDZBQOSA-N 2 1 341.459 1.900 50 0 EDAAMP CO[C@@H]1CCCCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095416703 277282183 /nfs/dbraw/zinc/28/21/83/277282183.db2.gz PSQUBRRCKPDNPH-IAGOWNOFSA-N 2 1 333.480 1.666 50 0 EDAAMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])c2)CCO1 ZINC000237422261 297032008 /nfs/dbraw/zinc/03/20/08/297032008.db2.gz WDICBRRLXXQFIG-OLMNPRSZSA-N 2 1 331.460 1.651 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])c2)CCO1 ZINC000237422261 297032012 /nfs/dbraw/zinc/03/20/12/297032012.db2.gz WDICBRRLXXQFIG-OLMNPRSZSA-N 2 1 331.460 1.651 50 0 EDAAMP O[C@]1(C[NH+]2CCCCC2)C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000019773887 441259803 /nfs/dbraw/zinc/25/98/03/441259803.db2.gz OROFAEMCCWOHFU-XVAXZDLZSA-N 2 1 341.499 1.402 50 0 EDAAMP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000108085244 441436276 /nfs/dbraw/zinc/43/62/76/441436276.db2.gz CMKQQSKNKVUYBV-YTQUADARSA-N 2 1 345.487 1.876 50 0 EDAAMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000108085244 441436280 /nfs/dbraw/zinc/43/62/80/441436280.db2.gz CMKQQSKNKVUYBV-YTQUADARSA-N 2 1 345.487 1.876 50 0 EDAAMP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000108085244 441436283 /nfs/dbraw/zinc/43/62/83/441436283.db2.gz CMKQQSKNKVUYBV-YTQUADARSA-N 2 1 345.487 1.876 50 0 EDAAMP CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000108085244 441436286 /nfs/dbraw/zinc/43/62/86/441436286.db2.gz CMKQQSKNKVUYBV-YTQUADARSA-N 2 1 345.487 1.876 50 0 EDAAMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)c1ccco1 ZINC000225705291 443119053 /nfs/dbraw/zinc/11/90/53/443119053.db2.gz FNOIPSXBHBYQFU-WBVHZDCISA-N 2 1 337.464 1.888 50 0 EDAAMP C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000426628226 447482907 /nfs/dbraw/zinc/48/29/07/447482907.db2.gz KSLBKOVBOICRMI-MRXNPFEDSA-N 2 1 342.487 1.433 50 0 EDAAMP COCC[N@H+]1CC[C@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670436124 486512810 /nfs/dbraw/zinc/51/28/10/486512810.db2.gz RDXOEWMVZBUDKS-QGZVFWFLSA-N 2 1 337.508 1.870 50 0 EDAAMP c1ccc(OCCN2CCOCC2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000216394170 241188780 /nfs/dbraw/zinc/18/87/80/241188780.db2.gz WDYGCOYKKYISHT-HDICACEKSA-N 2 1 331.460 1.049 50 0 EDAAMP c1ccc(OCCN2CCOCC2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000216394170 241188782 /nfs/dbraw/zinc/18/87/82/241188782.db2.gz WDYGCOYKKYISHT-HDICACEKSA-N 2 1 331.460 1.049 50 0 EDAAMP O=c1cc([C@@H]2CCC[N@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)nc[nH]1 ZINC000072139040 203168108 /nfs/dbraw/zinc/16/81/08/203168108.db2.gz NRKCNGJOWLTQSL-CYBMUJFWSA-N 2 1 328.420 1.252 50 0 EDAAMP O=c1cc([C@@H]2CCC[N@@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)nc[nH]1 ZINC000072139040 203168111 /nfs/dbraw/zinc/16/81/11/203168111.db2.gz NRKCNGJOWLTQSL-CYBMUJFWSA-N 2 1 328.420 1.252 50 0 EDAAMP COCCN1C[C@H](C[N@H+](C)Cc2ccc3c(c2)C[NH+](C)C3)CC1=O ZINC000299796560 258100967 /nfs/dbraw/zinc/10/09/67/258100967.db2.gz OUJWYDURZPKIGU-INIZCTEOSA-N 2 1 331.460 1.559 50 0 EDAAMP COCCN1C[C@H](C[N@@H+](C)Cc2ccc3c(c2)C[NH+](C)C3)CC1=O ZINC000299796560 258100969 /nfs/dbraw/zinc/10/09/69/258100969.db2.gz OUJWYDURZPKIGU-INIZCTEOSA-N 2 1 331.460 1.559 50 0 EDAAMP COCCN1C[C@H](C[NH+](C)Cc2ccc3c(c2)C[N@@H+](C)C3)CC1=O ZINC000299796560 258100970 /nfs/dbraw/zinc/10/09/70/258100970.db2.gz OUJWYDURZPKIGU-INIZCTEOSA-N 2 1 331.460 1.559 50 0 EDAAMP COCCN1C[C@H](C[NH+](C)Cc2ccc3c(c2)C[N@H+](C)C3)CC1=O ZINC000299796560 258100972 /nfs/dbraw/zinc/10/09/72/258100972.db2.gz OUJWYDURZPKIGU-INIZCTEOSA-N 2 1 331.460 1.559 50 0 EDAAMP CNc1nc(N2CCC(CC(=O)NCCC[NH+](C)C)CC2)cc[nH+]1 ZINC000065282077 441414679 /nfs/dbraw/zinc/41/46/79/441414679.db2.gz DREDCJZUASRURN-UHFFFAOYSA-N 2 1 334.468 1.193 50 0 EDAAMP O[C@@H]1CCCN(c2cc[nH+]c(NCCC34CCC[NH+]3CCC4)n2)C1 ZINC000065405474 441427887 /nfs/dbraw/zinc/42/78/87/441427887.db2.gz XMJCRJFDOJGNAQ-OAHLLOKOSA-N 2 1 331.464 1.868 50 0 EDAAMP Cc1cc(C)n2cc(C[N@@H+](C)CC3CC[NH+](CCO)CC3)nc2n1 ZINC000075603057 441538037 /nfs/dbraw/zinc/53/80/37/441538037.db2.gz LJYJVSAXCWOVGC-UHFFFAOYSA-N 2 1 331.464 1.482 50 0 EDAAMP Cc1csc(CCC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000089705521 441572407 /nfs/dbraw/zinc/57/24/07/441572407.db2.gz RCGVPMMIIIWRDY-UHFFFAOYSA-N 2 1 346.504 1.716 50 0 EDAAMP CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc[nH+]c(N)n1)CC2 ZINC000091908467 441753773 /nfs/dbraw/zinc/75/37/73/441753773.db2.gz BOOKIWJFYMSWMK-UHFFFAOYSA-N 2 1 341.463 1.936 50 0 EDAAMP CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc[nH+]c(N)n1)CC2 ZINC000091908467 441753781 /nfs/dbraw/zinc/75/37/81/441753781.db2.gz BOOKIWJFYMSWMK-UHFFFAOYSA-N 2 1 341.463 1.936 50 0 EDAAMP CN(C)C(=O)CC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069510443 441959072 /nfs/dbraw/zinc/95/90/72/441959072.db2.gz ZLRQBMGUWXDZED-LJQANCHMSA-N 2 1 347.503 1.842 50 0 EDAAMP Cc1c[nH+]ccc1N1CCN(CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000097156025 442176459 /nfs/dbraw/zinc/17/64/59/442176459.db2.gz YUQVKRPUPLMJGH-UHFFFAOYSA-N 2 1 332.492 1.870 50 0 EDAAMP Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000097162653 442177802 /nfs/dbraw/zinc/17/78/02/442177802.db2.gz YGBDNNJJTIMCSZ-LJQANCHMSA-N 2 1 343.450 1.881 50 0 EDAAMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccn1 ZINC000097080790 442163135 /nfs/dbraw/zinc/16/31/35/442163135.db2.gz RALCXPZSEAUFMJ-SJORKVTESA-N 2 1 346.475 1.578 50 0 EDAAMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCCN2CCOCC2)c1 ZINC000215466250 443055162 /nfs/dbraw/zinc/05/51/62/443055162.db2.gz VOUCVEGXEWUIAE-HDICACEKSA-N 2 1 331.460 1.049 50 0 EDAAMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCCN2CCOCC2)c1 ZINC000215466250 443055170 /nfs/dbraw/zinc/05/51/70/443055170.db2.gz VOUCVEGXEWUIAE-HDICACEKSA-N 2 1 331.460 1.049 50 0 EDAAMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237616803 443177243 /nfs/dbraw/zinc/17/72/43/443177243.db2.gz BHHPAWUVLGQHMC-SOLBZPMBSA-N 2 1 337.508 1.866 50 0 EDAAMP Cc1ccccc1[C@@H](CNC(=O)CCN1CC[NH+](C)CC1)[NH+](C)C ZINC000534579737 448454690 /nfs/dbraw/zinc/45/46/90/448454690.db2.gz JYRYLLMQRPTPHP-GOSISDBHSA-N 2 1 332.492 1.351 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000012305822 711399836 /nfs/dbraw/zinc/39/98/36/711399836.db2.gz VVQZCNUHFCNALB-OAHLLOKOSA-N 2 1 333.480 1.611 50 0 EDAAMP O[C@@H]1C[N@H+](C2CCC2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1 ZINC000023372983 202103673 /nfs/dbraw/zinc/10/36/73/202103673.db2.gz FVNAZHSZNWPIAZ-NHCUHLMSSA-N 2 1 343.515 1.834 50 0 EDAAMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000253395566 201186892 /nfs/dbraw/zinc/18/68/92/201186892.db2.gz FJWWKBVGFADKRD-DLBZAZTESA-N 2 1 335.423 1.098 50 0 EDAAMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000253395566 201186895 /nfs/dbraw/zinc/18/68/95/201186895.db2.gz FJWWKBVGFADKRD-DLBZAZTESA-N 2 1 335.423 1.098 50 0 EDAAMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071871539 203133019 /nfs/dbraw/zinc/13/30/19/203133019.db2.gz HRFFHMMXXXXMIF-FUHWJXTLSA-N 2 1 339.524 1.802 50 0 EDAAMP Cc1cc(C)nc(CN(C)C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072463676 203229218 /nfs/dbraw/zinc/22/92/18/203229218.db2.gz WDDFMLNIXMYAQU-QGZVFWFLSA-N 2 1 330.476 1.731 50 0 EDAAMP CC(C)Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)[nH]n1 ZINC000072420191 203219003 /nfs/dbraw/zinc/21/90/03/203219003.db2.gz GBVZKMFWCSACSS-MAUKXSAKSA-N 2 1 347.507 1.770 50 0 EDAAMP CN(C)c1nc(N2C[C@H](CO)[C@H](C[NH+](C)C)C2)c2c([nH+]1)CCCC2 ZINC000092081970 276799538 /nfs/dbraw/zinc/79/95/38/276799538.db2.gz HSLOCWVDTFFQHC-ZIAGYGMSSA-N 2 1 333.480 1.028 50 0 EDAAMP CC[NH+]1CCCN(c2nc(N3CCC[N@H+](CC)CC3)ncc2C)CC1 ZINC000085685783 279291823 /nfs/dbraw/zinc/29/18/23/279291823.db2.gz FWWGXIAORZZLKO-UHFFFAOYSA-N 2 1 346.523 1.849 50 0 EDAAMP CC[NH+]1CCCN(c2ncc(C)c(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000085685783 279291824 /nfs/dbraw/zinc/29/18/24/279291824.db2.gz FWWGXIAORZZLKO-UHFFFAOYSA-N 2 1 346.523 1.849 50 0 EDAAMP CC[NH+]1CCCN(c2ncc(C)c(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000085685783 279291825 /nfs/dbraw/zinc/29/18/25/279291825.db2.gz FWWGXIAORZZLKO-UHFFFAOYSA-N 2 1 346.523 1.849 50 0 EDAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)C(=O)Nc2nccs2)CC1 ZINC000106781268 441369867 /nfs/dbraw/zinc/36/98/67/441369867.db2.gz UQRJBIDZBLAEKG-CHWSQXEVSA-N 2 1 340.493 1.495 50 0 EDAAMP CC(=O)NCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069510221 441956986 /nfs/dbraw/zinc/95/69/86/441956986.db2.gz CCYWOCBUOKWMMR-LJQANCHMSA-N 2 1 333.476 1.500 50 0 EDAAMP C[NH+](C)CC(=O)Nc1cccc(NC(=O)NCC[C@@H]2CCC[N@@H+]2C)c1 ZINC000096180126 442053344 /nfs/dbraw/zinc/05/33/44/442053344.db2.gz TVVLLTCSNGWZNV-INIZCTEOSA-N 2 1 347.463 1.793 50 0 EDAAMP C[NH+](C)CC(=O)Nc1cccc(NC(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000096180126 442053349 /nfs/dbraw/zinc/05/33/49/442053349.db2.gz TVVLLTCSNGWZNV-INIZCTEOSA-N 2 1 347.463 1.793 50 0 EDAAMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000096420830 442121809 /nfs/dbraw/zinc/12/18/09/442121809.db2.gz CJNOOEHZAOLPJT-ROUUACIJSA-N 2 1 331.460 1.298 50 0 EDAAMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000096420830 442121812 /nfs/dbraw/zinc/12/18/12/442121812.db2.gz CJNOOEHZAOLPJT-ROUUACIJSA-N 2 1 331.460 1.298 50 0 EDAAMP CCOCC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000246310565 442771011 /nfs/dbraw/zinc/77/10/11/442771011.db2.gz AKKNGPIBEYLNCI-MSOLQXFVSA-N 2 1 327.513 1.122 50 0 EDAAMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000195549001 443031708 /nfs/dbraw/zinc/03/17/08/443031708.db2.gz YTAFLBJJILSQGS-JSGCOSHPSA-N 2 1 345.534 1.655 50 0 EDAAMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000225653473 443117720 /nfs/dbraw/zinc/11/77/20/443117720.db2.gz SDSISISPVHGUHM-INIZCTEOSA-N 2 1 339.528 1.044 50 0 EDAAMP CCC[NH+]1CC[C@@H](CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000225653473 443117726 /nfs/dbraw/zinc/11/77/26/443117726.db2.gz SDSISISPVHGUHM-INIZCTEOSA-N 2 1 339.528 1.044 50 0 EDAAMP CCC[NH+]1CC[C@@H](CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000225653473 443117732 /nfs/dbraw/zinc/11/77/32/443117732.db2.gz SDSISISPVHGUHM-INIZCTEOSA-N 2 1 339.528 1.044 50 0 EDAAMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000888099427 591029796 /nfs/dbraw/zinc/02/97/96/591029796.db2.gz JUGWHMFJHGBDTJ-KRWDZBQOSA-N 2 1 348.491 1.378 50 0 EDAAMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000888099427 591029801 /nfs/dbraw/zinc/02/98/01/591029801.db2.gz JUGWHMFJHGBDTJ-KRWDZBQOSA-N 2 1 348.491 1.378 50 0 EDAAMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000888099427 591029805 /nfs/dbraw/zinc/02/98/05/591029805.db2.gz JUGWHMFJHGBDTJ-KRWDZBQOSA-N 2 1 348.491 1.378 50 0 EDAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(N(C)C)c1 ZINC000069531021 203014282 /nfs/dbraw/zinc/01/42/82/203014282.db2.gz JOXOHJIVOUCTIK-KRWDZBQOSA-N 2 1 347.507 1.636 50 0 EDAAMP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069951317 203065039 /nfs/dbraw/zinc/06/50/39/203065039.db2.gz KWZPXNSJHBBATG-DOTOQJQBSA-N 2 1 325.497 1.317 50 0 EDAAMP c1cncc(Cc2nnc3n2CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC3)c1 ZINC000072161523 203175889 /nfs/dbraw/zinc/17/58/89/203175889.db2.gz AAYMQXSAPQHLBD-INIZCTEOSA-N 2 1 326.448 1.122 50 0 EDAAMP c1cncc(Cc2nnc3n2CC[N@H+](C[C@H]2CCC[NH2+]C2)CC3)c1 ZINC000072161523 203175892 /nfs/dbraw/zinc/17/58/92/203175892.db2.gz AAYMQXSAPQHLBD-INIZCTEOSA-N 2 1 326.448 1.122 50 0 EDAAMP COc1ccc(OCCC[NH3+])c(C(=O)N2CC[N@@H+](C(C)C)[C@@H](C)C2)c1 ZINC000299784622 258091588 /nfs/dbraw/zinc/09/15/88/258091588.db2.gz HIAYJPCFHWYLTO-HNNXBMFYSA-N 2 1 349.475 1.978 50 0 EDAAMP Cc1ccc(C[N@H+](C)CC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)cc1 ZINC000299783615 258091597 /nfs/dbraw/zinc/09/15/97/258091597.db2.gz WOTJDHIWRZVQBG-ROUUACIJSA-N 2 1 331.460 1.406 50 0 EDAAMP Cc1ccc(C[N@@H+](C)CC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)cc1 ZINC000299783615 258091598 /nfs/dbraw/zinc/09/15/98/258091598.db2.gz WOTJDHIWRZVQBG-ROUUACIJSA-N 2 1 331.460 1.406 50 0 EDAAMP C[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000072280934 441219127 /nfs/dbraw/zinc/21/91/27/441219127.db2.gz RNRPBWFANNYQSM-INIZCTEOSA-N 2 1 340.512 1.613 50 0 EDAAMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(-n2ccnc2)cc1 ZINC000108142891 441437358 /nfs/dbraw/zinc/43/73/58/441437358.db2.gz MVZOBRDLJFTRLI-ZWKOTPCHSA-N 2 1 340.427 1.855 50 0 EDAAMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(-n2ccnc2)cc1 ZINC000108142891 441437363 /nfs/dbraw/zinc/43/73/63/441437363.db2.gz MVZOBRDLJFTRLI-ZWKOTPCHSA-N 2 1 340.427 1.855 50 0 EDAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](CCCCO)CC2)n1C ZINC000091351164 441696884 /nfs/dbraw/zinc/69/68/84/441696884.db2.gz XIKSHRCTYGPKGT-UHFFFAOYSA-N 2 1 332.452 1.320 50 0 EDAAMP O=C(CCC[NH+]1CCCCC1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095356399 441911840 /nfs/dbraw/zinc/91/18/40/441911840.db2.gz AVBPYJPLVRXYNX-UHFFFAOYSA-N 2 1 332.492 1.898 50 0 EDAAMP COCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@H](C[NH+]2Cc2ccccc2)C1 ZINC000095362694 441912169 /nfs/dbraw/zinc/91/21/69/441912169.db2.gz UCBZBTWLIMYTRZ-RTBURBONSA-N 2 1 345.487 1.688 50 0 EDAAMP COCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@H](C[NH+]2Cc2ccccc2)C1 ZINC000095362694 441912180 /nfs/dbraw/zinc/91/21/80/441912180.db2.gz UCBZBTWLIMYTRZ-RTBURBONSA-N 2 1 345.487 1.688 50 0 EDAAMP COCC[NH+](C)CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095362694 441912182 /nfs/dbraw/zinc/91/21/82/441912182.db2.gz UCBZBTWLIMYTRZ-RTBURBONSA-N 2 1 345.487 1.688 50 0 EDAAMP COCC[NH+](C)CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095362694 441912186 /nfs/dbraw/zinc/91/21/86/441912186.db2.gz UCBZBTWLIMYTRZ-RTBURBONSA-N 2 1 345.487 1.688 50 0 EDAAMP C[N@H+]1CCCC[C@@H]1CCn1ncc(N2CCC(C[NH3+])CC2)cc1=O ZINC000095367569 441914325 /nfs/dbraw/zinc/91/43/25/441914325.db2.gz LSEDSCWFHGNKJM-MRXNPFEDSA-N 2 1 333.480 1.293 50 0 EDAAMP C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000174458539 441926062 /nfs/dbraw/zinc/92/60/62/441926062.db2.gz GHPDPHPMYWFSEF-GOSISDBHSA-N 2 1 331.460 1.619 50 0 EDAAMP C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000174458539 441926064 /nfs/dbraw/zinc/92/60/64/441926064.db2.gz GHPDPHPMYWFSEF-GOSISDBHSA-N 2 1 331.460 1.619 50 0 EDAAMP CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000096005993 441979317 /nfs/dbraw/zinc/97/93/17/441979317.db2.gz UAEDOPRRMNRBFE-SFHVURJKSA-N 2 1 346.475 1.100 50 0 EDAAMP CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000096005993 441979320 /nfs/dbraw/zinc/97/93/20/441979320.db2.gz UAEDOPRRMNRBFE-SFHVURJKSA-N 2 1 346.475 1.100 50 0 EDAAMP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+](C(C)C)C3)CC2)nc(N)[nH+]1 ZINC000095513120 441944175 /nfs/dbraw/zinc/94/41/75/441944175.db2.gz GIBQJDNAQMVGMH-HNNXBMFYSA-N 2 1 346.479 1.136 50 0 EDAAMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2F)CC1 ZINC000179115354 442575875 /nfs/dbraw/zinc/57/58/75/442575875.db2.gz XPRKFBONFHPZQJ-AWEZNQCLSA-N 2 1 334.439 1.402 50 0 EDAAMP C[N@H+]1CCN(c2nc(N)nc3c2CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000244873455 443216159 /nfs/dbraw/zinc/21/61/59/443216159.db2.gz WQROPPHZBMEZPV-KRWDZBQOSA-N 2 1 338.459 1.240 50 0 EDAAMP Cc1[nH+]cn(CCNC(=O)c2ccc(C)c(OCCC[NH3+])c2)c1C ZINC000426496871 447457744 /nfs/dbraw/zinc/45/77/44/447457744.db2.gz JQTUHHUPGXVTSE-UHFFFAOYSA-N 2 1 330.432 1.966 50 0 EDAAMP C[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072149722 216036986 /nfs/dbraw/zinc/03/69/86/216036986.db2.gz PROIUZDXCBRQEY-QGZVFWFLSA-N 2 1 334.439 1.158 50 0 EDAAMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1CN1CC[NH+](C)CC1 ZINC000216448693 241192608 /nfs/dbraw/zinc/19/26/08/241192608.db2.gz ZUGSXIGTSRPGOR-OYRHEFFESA-N 3 1 342.531 1.702 50 0 EDAAMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091737555 218055784 /nfs/dbraw/zinc/05/57/84/218055784.db2.gz VHCZZHQVUFKDLA-IAGOWNOFSA-N 2 1 334.464 1.134 50 0 EDAAMP CCc1c[nH+]c(N)nc1N1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000095367426 218300693 /nfs/dbraw/zinc/30/06/93/218300693.db2.gz QLUXSKNIGLWNRA-UHFFFAOYSA-N 2 1 332.496 1.619 50 0 EDAAMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000057843674 441138001 /nfs/dbraw/zinc/13/80/01/441138001.db2.gz PFNCVDILLIPLTG-UHFFFAOYSA-N 2 1 345.487 1.689 50 0 EDAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CC3CCC3)CC2)C1)N1CCOCC1 ZINC000082097520 441331782 /nfs/dbraw/zinc/33/17/82/441331782.db2.gz SLTBXHPXKHPSJD-SFHVURJKSA-N 2 1 349.519 1.822 50 0 EDAAMP Cn1cc([C@H]2CCCN2C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000106844039 441378028 /nfs/dbraw/zinc/37/80/28/441378028.db2.gz PQPPEEOSDITJBL-VQTJNVASSA-N 2 1 340.471 1.976 50 0 EDAAMP Cn1cc([C@H]2CCCN2C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000106844039 441378030 /nfs/dbraw/zinc/37/80/30/441378030.db2.gz PQPPEEOSDITJBL-VQTJNVASSA-N 2 1 340.471 1.976 50 0 EDAAMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000089312247 441537331 /nfs/dbraw/zinc/53/73/31/441537331.db2.gz VLWZIGXISQTTJI-ZIAGYGMSSA-N 2 1 340.493 1.371 50 0 EDAAMP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000089696708 441571291 /nfs/dbraw/zinc/57/12/91/441571291.db2.gz HMNBBOGZFJOIGN-SFHVURJKSA-N 2 1 327.428 1.952 50 0 EDAAMP CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](CC)CC3)C2)cc1 ZINC000091780738 441740524 /nfs/dbraw/zinc/74/05/24/441740524.db2.gz QSLMFINFCAMUAF-NHCUHLMSSA-N 2 1 345.531 1.927 50 0 EDAAMP C[N@@H+](CCO)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095523379 441948432 /nfs/dbraw/zinc/94/84/32/441948432.db2.gz QFIYHEIUJHOZRK-GOSISDBHSA-N 2 1 336.476 1.726 50 0 EDAAMP CCC[NH+]1CCC(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000095960969 441961255 /nfs/dbraw/zinc/96/12/55/441961255.db2.gz BHIMUZHTMLQUBW-UHFFFAOYSA-N 2 1 332.496 1.539 50 0 EDAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000195118177 442984289 /nfs/dbraw/zinc/98/42/89/442984289.db2.gz BESSKVLPSXPOTO-RKVPGOIHSA-N 2 1 331.460 1.859 50 0 EDAAMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000253390346 443052287 /nfs/dbraw/zinc/05/22/87/443052287.db2.gz KQYOYFOYACFNHD-NEWSRXKRSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000253390346 443052290 /nfs/dbraw/zinc/05/22/90/443052290.db2.gz KQYOYFOYACFNHD-NEWSRXKRSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000253390346 443052291 /nfs/dbraw/zinc/05/22/91/443052291.db2.gz KQYOYFOYACFNHD-NEWSRXKRSA-N 2 1 345.487 1.470 50 0 EDAAMP O=C(CCC[NH+]1CCCC1)N1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000584885678 448664181 /nfs/dbraw/zinc/66/41/81/448664181.db2.gz FWHGVHXJHXKWQF-KRWDZBQOSA-N 2 1 337.508 1.558 50 0 EDAAMP CC(C)C[N@@H+]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1CCO ZINC000584901371 448672031 /nfs/dbraw/zinc/67/20/31/448672031.db2.gz ASUJARPDJHHYDO-IBGZPJMESA-N 2 1 347.503 1.670 50 0 EDAAMP CC(C)C[N@H+]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1CCO ZINC000584901371 448672037 /nfs/dbraw/zinc/67/20/37/448672037.db2.gz ASUJARPDJHHYDO-IBGZPJMESA-N 2 1 347.503 1.670 50 0 EDAAMP CC(C)C[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1CCO ZINC000584901371 448672045 /nfs/dbraw/zinc/67/20/45/448672045.db2.gz ASUJARPDJHHYDO-IBGZPJMESA-N 2 1 347.503 1.670 50 0 EDAAMP CC(C)C[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CCO ZINC000584901371 448672049 /nfs/dbraw/zinc/67/20/49/448672049.db2.gz ASUJARPDJHHYDO-IBGZPJMESA-N 2 1 347.503 1.670 50 0 EDAAMP COCC[N@H+]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCC2)C1 ZINC000670471486 486564624 /nfs/dbraw/zinc/56/46/24/486564624.db2.gz YOQVCSDVJXPYAR-QGZVFWFLSA-N 2 1 337.508 1.870 50 0 EDAAMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000066960789 215099077 /nfs/dbraw/zinc/09/90/77/215099077.db2.gz ZPGHDONODGUWKR-CQSZACIVSA-N 2 1 338.496 1.807 50 0 EDAAMP O=c1cc([C@H]2CCC[N@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)nc[nH]1 ZINC000072139039 216025968 /nfs/dbraw/zinc/02/59/68/216025968.db2.gz NRKCNGJOWLTQSL-ZDUSSCGKSA-N 2 1 328.420 1.252 50 0 EDAAMP O=c1cc([C@H]2CCC[N@@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)nc[nH]1 ZINC000072139039 216025971 /nfs/dbraw/zinc/02/59/71/216025971.db2.gz NRKCNGJOWLTQSL-ZDUSSCGKSA-N 2 1 328.420 1.252 50 0 EDAAMP O=C(C[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000072142095 216028045 /nfs/dbraw/zinc/02/80/45/216028045.db2.gz BWRSMLZHKDOMGN-UYAOXDASSA-N 2 1 343.471 1.008 50 0 EDAAMP O=C(C[N@H+]1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000072142095 216028048 /nfs/dbraw/zinc/02/80/48/216028048.db2.gz BWRSMLZHKDOMGN-UYAOXDASSA-N 2 1 343.471 1.008 50 0 EDAAMP Cc1ccc(C[N@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@@H]2CCO)cc1 ZINC000072407788 216198730 /nfs/dbraw/zinc/19/87/30/216198730.db2.gz ORGGSXJUUGUWBB-KRWDZBQOSA-N 2 1 341.459 1.749 50 0 EDAAMP Cn1c2ccccc2cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1=O ZINC000072423227 216212146 /nfs/dbraw/zinc/21/21/46/216212146.db2.gz FARSRIKUUYXFSE-IBGZPJMESA-N 2 1 329.444 1.427 50 0 EDAAMP Cn1c2ccccc2cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1=O ZINC000072423227 216212148 /nfs/dbraw/zinc/21/21/48/216212148.db2.gz FARSRIKUUYXFSE-IBGZPJMESA-N 2 1 329.444 1.427 50 0 EDAAMP CCCc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)nc(C)n1 ZINC000230164011 242242017 /nfs/dbraw/zinc/24/20/17/242242017.db2.gz QMQZTTHWTUVKPD-LJQANCHMSA-N 2 1 345.491 1.870 50 0 EDAAMP CC1=C(C(=O)N2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)OCCO1 ZINC000020295823 212116382 /nfs/dbraw/zinc/11/63/82/212116382.db2.gz HRKQKSMJRLPUHS-OAHLLOKOSA-N 2 1 325.453 1.139 50 0 EDAAMP CC1=C(C(=O)N2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)OCCO1 ZINC000020295823 212116383 /nfs/dbraw/zinc/11/63/83/212116383.db2.gz HRKQKSMJRLPUHS-OAHLLOKOSA-N 2 1 325.453 1.139 50 0 EDAAMP C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095416630 218355435 /nfs/dbraw/zinc/35/54/35/218355435.db2.gz MELVIPNRJOXBCY-WMZOPIPTSA-N 2 1 347.507 1.913 50 0 EDAAMP O[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000097463608 219025864 /nfs/dbraw/zinc/02/58/64/219025864.db2.gz DQUSKEIUTQIBOI-IBGZPJMESA-N 3 1 344.503 1.877 50 0 EDAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc(C)cn2)CC1 ZINC000070006303 441102093 /nfs/dbraw/zinc/10/20/93/441102093.db2.gz YBHASZSJIGXHTD-QGZVFWFLSA-N 2 1 333.480 1.256 50 0 EDAAMP Nc1nc2c(c(NC3CC=CC3)n1)CC[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000072424312 441231398 /nfs/dbraw/zinc/23/13/98/441231398.db2.gz VMSWCKYOMPUABU-UHFFFAOYSA-N 2 1 342.491 1.590 50 0 EDAAMP Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CN2 ZINC000058432799 441194625 /nfs/dbraw/zinc/19/46/25/441194625.db2.gz VNXBBDPEWNCSBI-MRXNPFEDSA-N 2 1 337.431 1.912 50 0 EDAAMP Cc1nonc1C[NH+]1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091254461 441688877 /nfs/dbraw/zinc/68/88/77/441688877.db2.gz ZDSGOLSEZSKTMX-OAHLLOKOSA-N 2 1 347.463 1.287 50 0 EDAAMP Cc1nonc1C[NH+]1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091254461 441688883 /nfs/dbraw/zinc/68/88/83/441688883.db2.gz ZDSGOLSEZSKTMX-OAHLLOKOSA-N 2 1 347.463 1.287 50 0 EDAAMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC2CC[NH+](CCO)CC2)[C@@H]1C ZINC000069668406 442007078 /nfs/dbraw/zinc/00/70/78/442007078.db2.gz OXEKQOJMDFZNEQ-JFIYKMOQSA-N 2 1 339.524 1.563 50 0 EDAAMP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)on1 ZINC000069897162 442068745 /nfs/dbraw/zinc/06/87/45/442068745.db2.gz DCTCNAJYDLOMPG-ZIAGYGMSSA-N 2 1 338.452 1.335 50 0 EDAAMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCSC3)c2)C1 ZINC000096477354 442139314 /nfs/dbraw/zinc/13/93/14/442139314.db2.gz HLJKGWALGYUKPT-DLBZAZTESA-N 2 1 333.501 1.979 50 0 EDAAMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccnc(C)c2)CC1=O ZINC000195530215 443029623 /nfs/dbraw/zinc/02/96/23/443029623.db2.gz DUPXHTQKKDPCOK-HOCLYGCPSA-N 2 1 330.432 1.661 50 0 EDAAMP C[N@H+]1CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1CO ZINC000225322194 443099698 /nfs/dbraw/zinc/09/96/98/443099698.db2.gz HTOYQGBMRWATFN-IBGZPJMESA-N 2 1 347.503 1.660 50 0 EDAAMP [NH3+]C1CC(c2cc(N3CC[NH+](Cc4cccc(O)c4)CC3)ncn2)C1 ZINC000223445127 443090310 /nfs/dbraw/zinc/09/03/10/443090310.db2.gz SCYFMIOVGZSREA-UHFFFAOYSA-N 2 1 339.443 1.709 50 0 EDAAMP CCC[NH+]1CCC([N@H+]2CCC[C@H](Cn3cc(CCO)nn3)C2)CC1 ZINC000055384436 214315700 /nfs/dbraw/zinc/31/57/00/214315700.db2.gz PDNAYQGOEUHVAJ-INIZCTEOSA-N 2 1 335.496 1.399 50 0 EDAAMP CN1CCC[N@@H+](CCc2ccccn2)CCN(C)CCC[NH+](C)CC1 ZINC000068605087 215322162 /nfs/dbraw/zinc/32/21/62/215322162.db2.gz VRYDIPCPHODKET-UHFFFAOYSA-N 2 1 347.551 1.515 50 0 EDAAMP CN1CCC[N@H+](C)CCN(C)CCC[NH+](CCc2ccccn2)CC1 ZINC000068605087 215322165 /nfs/dbraw/zinc/32/21/65/215322165.db2.gz VRYDIPCPHODKET-UHFFFAOYSA-N 2 1 347.551 1.515 50 0 EDAAMP CN1CCC[N@@H+](C)CCN(C)CCC[NH+](CCc2ccccn2)CC1 ZINC000068605087 215322167 /nfs/dbraw/zinc/32/21/67/215322167.db2.gz VRYDIPCPHODKET-UHFFFAOYSA-N 2 1 347.551 1.515 50 0 EDAAMP CN1CCC[N@H+](C)CCN(CCc2ccccn2)CCC[NH+](C)CC1 ZINC000068605087 215322169 /nfs/dbraw/zinc/32/21/69/215322169.db2.gz VRYDIPCPHODKET-UHFFFAOYSA-N 2 1 347.551 1.515 50 0 EDAAMP CN1CCC[N@@H+](C)CCN(CCc2ccccn2)CCC[NH+](C)CC1 ZINC000068605087 215322171 /nfs/dbraw/zinc/32/21/71/215322171.db2.gz VRYDIPCPHODKET-UHFFFAOYSA-N 2 1 347.551 1.515 50 0 EDAAMP CN1CCC[NH+](C)CCN(CCc2ccccn2)CCC[N@H+](C)CC1 ZINC000068605087 215322174 /nfs/dbraw/zinc/32/21/74/215322174.db2.gz VRYDIPCPHODKET-UHFFFAOYSA-N 2 1 347.551 1.515 50 0 EDAAMP CN1CCC[NH+](C)CCN(CCc2ccccn2)CCC[N@@H+](C)CC1 ZINC000068605087 215322177 /nfs/dbraw/zinc/32/21/77/215322177.db2.gz VRYDIPCPHODKET-UHFFFAOYSA-N 2 1 347.551 1.515 50 0 EDAAMP OC[C@H]1CCCC[N@H+]1CCCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072407632 216198188 /nfs/dbraw/zinc/19/81/88/216198188.db2.gz IZLIYMOKGVANLZ-OAHLLOKOSA-N 2 1 344.463 1.087 50 0 EDAAMP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C(CO)CO)C3)C2)c1 ZINC000072431818 216226034 /nfs/dbraw/zinc/22/60/34/216226034.db2.gz VJPGBXFLGDPPDB-LJQANCHMSA-N 2 1 334.460 1.336 50 0 EDAAMP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C(CO)CO)C3)C2)c1 ZINC000072431818 216226036 /nfs/dbraw/zinc/22/60/36/216226036.db2.gz VJPGBXFLGDPPDB-LJQANCHMSA-N 2 1 334.460 1.336 50 0 EDAAMP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C(CO)CO)C3)C2)c1 ZINC000072431818 216226040 /nfs/dbraw/zinc/22/60/40/216226040.db2.gz VJPGBXFLGDPPDB-LJQANCHMSA-N 2 1 334.460 1.336 50 0 EDAAMP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C(CO)CO)C3)C2)c1 ZINC000072431818 216226042 /nfs/dbraw/zinc/22/60/42/216226042.db2.gz VJPGBXFLGDPPDB-LJQANCHMSA-N 2 1 334.460 1.336 50 0 EDAAMP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cc1 ZINC000091807059 218068759 /nfs/dbraw/zinc/06/87/59/218068759.db2.gz IOLDKGLMACAVEY-RTBURBONSA-N 2 1 347.503 1.373 50 0 EDAAMP COc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cc1 ZINC000091807059 218068762 /nfs/dbraw/zinc/06/87/62/218068762.db2.gz IOLDKGLMACAVEY-RTBURBONSA-N 2 1 347.503 1.373 50 0 EDAAMP COc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cc1 ZINC000091807059 218068763 /nfs/dbraw/zinc/06/87/63/218068763.db2.gz IOLDKGLMACAVEY-RTBURBONSA-N 2 1 347.503 1.373 50 0 EDAAMP Cc1cccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000092022380 218105386 /nfs/dbraw/zinc/10/53/86/218105386.db2.gz YZTYDSDGXICFJM-LJQANCHMSA-N 2 1 333.476 1.685 50 0 EDAAMP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cc1C ZINC000095355283 218289514 /nfs/dbraw/zinc/28/95/14/218289514.db2.gz GCMTYTNAOMBUPD-RTBURBONSA-N 2 1 332.488 1.800 50 0 EDAAMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCNS(=O)(=O)N(C)C)CC2)C1 ZINC000328594974 258043078 /nfs/dbraw/zinc/04/30/78/258043078.db2.gz HHEGYMQLHFOMOL-GOEBONIOSA-N 2 1 346.541 1.015 50 0 EDAAMP CC[C@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](CC(C)C)CC2)CC1 ZINC000071881811 441183115 /nfs/dbraw/zinc/18/31/15/441183115.db2.gz CKEXDJUSJIUMDG-KRWDZBQOSA-N 2 1 325.497 1.270 50 0 EDAAMP O=C(C[C@H]1COCC[NH2+]1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000082097644 441332350 /nfs/dbraw/zinc/33/23/50/441332350.db2.gz RMJXLPDQXKYTSJ-KRWDZBQOSA-N 2 1 335.423 1.239 50 0 EDAAMP O=C(C[C@H]1COCC[NH2+]1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000082097644 441332354 /nfs/dbraw/zinc/33/23/54/441332354.db2.gz RMJXLPDQXKYTSJ-KRWDZBQOSA-N 2 1 335.423 1.239 50 0 EDAAMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000106519124 441349226 /nfs/dbraw/zinc/34/92/26/441349226.db2.gz KBCFGHJDFUENKT-RBUKOAKNSA-N 2 1 343.471 1.875 50 0 EDAAMP C[C@H]1CCC[N@@H+](CCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)C1 ZINC000065406696 441428611 /nfs/dbraw/zinc/42/86/11/441428611.db2.gz GMEGITLBFHULAZ-LBPRGKRZSA-N 2 1 332.473 1.836 50 0 EDAAMP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(F)cccc1F)CC2 ZINC000091304557 441694181 /nfs/dbraw/zinc/69/41/81/441694181.db2.gz AINNHMQYVQOPBN-CVEARBPZSA-N 2 1 326.387 1.656 50 0 EDAAMP Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)c1 ZINC000091643955 441724770 /nfs/dbraw/zinc/72/47/70/441724770.db2.gz ZRWIXGYAKNUIKL-WOJBJXKFSA-N 2 1 332.488 1.740 50 0 EDAAMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000096477155 442139796 /nfs/dbraw/zinc/13/97/96/442139796.db2.gz URIJSQSFNFCDBF-NXHRZFHOSA-N 2 1 331.460 1.881 50 0 EDAAMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000096477155 442139800 /nfs/dbraw/zinc/13/98/00/442139800.db2.gz URIJSQSFNFCDBF-NXHRZFHOSA-N 2 1 331.460 1.881 50 0 EDAAMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187378085 442673185 /nfs/dbraw/zinc/67/31/85/442673185.db2.gz NHJPSOSRNVAWTI-MRXNPFEDSA-N 2 1 326.485 1.272 50 0 EDAAMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(OCC3CCCC3)CC2)CC1 ZINC000252500332 443034790 /nfs/dbraw/zinc/03/47/90/443034790.db2.gz SSJVENOKWBVGEM-UHFFFAOYSA-N 2 1 337.508 1.822 50 0 EDAAMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000253406310 443057641 /nfs/dbraw/zinc/05/76/41/443057641.db2.gz XZXLJUWOJHGICG-ZWKOTPCHSA-N 2 1 337.508 1.822 50 0 EDAAMP Cc1nc(NCC(C)(C)[NH+]2CCOCC2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067818294 215219320 /nfs/dbraw/zinc/21/93/20/215219320.db2.gz WRPLBSVDHHNQIV-OAHLLOKOSA-N 2 1 333.480 1.775 50 0 EDAAMP C[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072149721 216037026 /nfs/dbraw/zinc/03/70/26/216037026.db2.gz PROIUZDXCBRQEY-KRWDZBQOSA-N 2 1 334.439 1.158 50 0 EDAAMP Cc1nc2c(c(N3CC[N@H+](C)[C@H](c4ccccc4)C3)n1)CC[NH2+]CC2 ZINC000072409369 216200629 /nfs/dbraw/zinc/20/06/29/216200629.db2.gz PBPNLYPOGKHUJP-IBGZPJMESA-N 2 1 337.471 1.966 50 0 EDAAMP COCC[N@H+]1CC[C@@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072435033 216229951 /nfs/dbraw/zinc/22/99/51/216229951.db2.gz IUIIVKYXPCSOMN-OAHLLOKOSA-N 2 1 344.463 1.208 50 0 EDAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000191354013 239060198 /nfs/dbraw/zinc/06/01/98/239060198.db2.gz BESSKVLPSXPOTO-IIDMSEBBSA-N 2 1 331.460 1.859 50 0 EDAAMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000229194085 242150350 /nfs/dbraw/zinc/15/03/50/242150350.db2.gz VVWPUOZZRVYSFL-SJORKVTESA-N 2 1 329.448 1.540 50 0 EDAAMP Cc1ccc([C@H](C(=O)NCC[NH+]2CCC(CO)CC2)[NH+](C)C)cc1 ZINC000091625362 218034564 /nfs/dbraw/zinc/03/45/64/218034564.db2.gz QLPLDRBIYUTVED-GOSISDBHSA-N 2 1 333.476 1.418 50 0 EDAAMP C[NH+](C)CCCOc1cccc(CN2CC[N@@H+](C)[C@H](CCO)C2)c1 ZINC000104404979 441195118 /nfs/dbraw/zinc/19/51/18/441195118.db2.gz QJRHQDYACRFWPZ-GOSISDBHSA-N 2 1 335.492 1.516 50 0 EDAAMP CN1CC[N@H+](Cc2cccc(OCCC[NH+](C)C)c2)C[C@H]1CCO ZINC000104404979 441195123 /nfs/dbraw/zinc/19/51/23/441195123.db2.gz QJRHQDYACRFWPZ-GOSISDBHSA-N 2 1 335.492 1.516 50 0 EDAAMP CN1CC[N@@H+](Cc2cccc(OCCC[NH+](C)C)c2)C[C@H]1CCO ZINC000104404979 441195126 /nfs/dbraw/zinc/19/51/26/441195126.db2.gz QJRHQDYACRFWPZ-GOSISDBHSA-N 2 1 335.492 1.516 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(-c3cccnc3)no2)CC1 ZINC000072267445 441210512 /nfs/dbraw/zinc/21/05/12/441210512.db2.gz ZMKDPYFKORHSGH-AWEZNQCLSA-N 2 1 345.447 1.656 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)CC1 ZINC000072267445 441210516 /nfs/dbraw/zinc/21/05/16/441210516.db2.gz ZMKDPYFKORHSGH-AWEZNQCLSA-N 2 1 345.447 1.656 50 0 EDAAMP O=C(C[C@@H]1COCC[NH2+]1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000082097103 441332663 /nfs/dbraw/zinc/33/26/63/441332663.db2.gz JAVRCJRKCWNURV-GOSISDBHSA-N 2 1 343.471 1.414 50 0 EDAAMP CC1(C)CN(C[C@@H](O)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000106772651 441367800 /nfs/dbraw/zinc/36/78/00/441367800.db2.gz PLFHJIKVQKEFSL-IBGZPJMESA-N 2 1 347.503 1.276 50 0 EDAAMP CC1(C)CN(C[C@@H](O)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000106772651 441367806 /nfs/dbraw/zinc/36/78/06/441367806.db2.gz PLFHJIKVQKEFSL-IBGZPJMESA-N 2 1 347.503 1.276 50 0 EDAAMP C[N@H+]1CCN(Cc2ncc[nH]2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107414537 441415606 /nfs/dbraw/zinc/41/56/06/441415606.db2.gz HGEAWMUBOSUHHE-GOSISDBHSA-N 2 1 331.464 1.318 50 0 EDAAMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C[C@@H](C)O1 ZINC000090004451 441611338 /nfs/dbraw/zinc/61/13/38/441611338.db2.gz ODPCIIPVZRLGGX-BZUAXINKSA-N 2 1 334.464 1.310 50 0 EDAAMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C[C@@H](C)O1 ZINC000090004451 441611342 /nfs/dbraw/zinc/61/13/42/441611342.db2.gz ODPCIIPVZRLGGX-BZUAXINKSA-N 2 1 334.464 1.310 50 0 EDAAMP COC(=O)CN1CCC([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000097085097 442164404 /nfs/dbraw/zinc/16/44/04/442164404.db2.gz FGUPEWFROWYCIQ-UHFFFAOYSA-N 2 1 346.475 1.586 50 0 EDAAMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000253406307 443057325 /nfs/dbraw/zinc/05/73/25/443057325.db2.gz XZXLJUWOJHGICG-ROUUACIJSA-N 2 1 337.508 1.822 50 0 EDAAMP CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000229559489 443130083 /nfs/dbraw/zinc/13/00/83/443130083.db2.gz MLUVOYVBPGDUSI-IPMKNSEASA-N 2 1 337.508 1.555 50 0 EDAAMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237474736 443172209 /nfs/dbraw/zinc/17/22/09/443172209.db2.gz IHZBXAPVQMBAMU-AEFFLSMTSA-N 2 1 330.476 1.142 50 0 EDAAMP Cc1[nH+]ccn1CCCC(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000072478488 216257369 /nfs/dbraw/zinc/25/73/69/216257369.db2.gz ITMVTCUBOPRTSA-INIZCTEOSA-N 2 1 348.491 1.931 50 0 EDAAMP CCCCSc1nc(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc(N)[nH+]1 ZINC000095359478 218293578 /nfs/dbraw/zinc/29/35/78/218293578.db2.gz CXKFKJMTDXCPSA-STQMWFEESA-N 2 1 337.493 1.596 50 0 EDAAMP CCN(CCC[NH+]1CCOCC1)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072166819 284897894 /nfs/dbraw/zinc/89/78/94/284897894.db2.gz NLUSYEQOAKXRNH-KRWDZBQOSA-N 2 1 345.487 1.948 50 0 EDAAMP C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CC[NH+](Cc2ccncc2)CC3)C1 ZINC000092046738 277135121 /nfs/dbraw/zinc/13/51/21/277135121.db2.gz ZFBBGTFSELHTSG-GOSISDBHSA-N 2 1 342.487 1.990 50 0 EDAAMP CC(C)(C)[NH2+]C[C@]1(O)C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000019773635 278370637 /nfs/dbraw/zinc/37/06/37/278370637.db2.gz LBDHKBFIUGVKSQ-UUKMXZOPSA-N 2 1 329.488 1.305 50 0 EDAAMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COC[C@H]1CCCO1 ZINC000006083780 440979516 /nfs/dbraw/zinc/97/95/16/440979516.db2.gz IYPOWFDNHMFMOJ-WOJBJXKFSA-N 2 1 348.487 1.797 50 0 EDAAMP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC000058421759 441194080 /nfs/dbraw/zinc/19/40/80/441194080.db2.gz YFTXOUYFMGXLID-UHFFFAOYSA-N 2 1 336.528 1.337 50 0 EDAAMP C[NH+]1CCC(N(Cc2ccncc2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000072158815 441206424 /nfs/dbraw/zinc/20/64/24/441206424.db2.gz ISDIIVUJSWBYDI-UHFFFAOYSA-N 2 1 331.464 1.345 50 0 EDAAMP C[C@H](C(=O)Nc1nccs1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781265 441370087 /nfs/dbraw/zinc/37/00/87/441370087.db2.gz UQRJBIDZBLAEKG-QWHCGFSZSA-N 2 1 340.493 1.495 50 0 EDAAMP Cn1cncc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420607 441452589 /nfs/dbraw/zinc/45/25/89/441452589.db2.gz PAEYGJOGOHZZQV-QGZVFWFLSA-N 2 1 341.459 1.407 50 0 EDAAMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000096407746 442115581 /nfs/dbraw/zinc/11/55/81/442115581.db2.gz ZZJUPGCPVMTALJ-DLBZAZTESA-N 2 1 327.513 1.264 50 0 EDAAMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000096407746 442115585 /nfs/dbraw/zinc/11/55/85/442115585.db2.gz ZZJUPGCPVMTALJ-DLBZAZTESA-N 2 1 327.513 1.264 50 0 EDAAMP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000096407736 442116189 /nfs/dbraw/zinc/11/61/89/442116189.db2.gz PFVUXSUNIXBRGW-INIZCTEOSA-N 2 1 331.526 1.514 50 0 EDAAMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000096407736 442116194 /nfs/dbraw/zinc/11/61/94/442116194.db2.gz PFVUXSUNIXBRGW-INIZCTEOSA-N 2 1 331.526 1.514 50 0 EDAAMP C[N@H+](CCc1ccncc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000097113787 442171511 /nfs/dbraw/zinc/17/15/11/442171511.db2.gz FZXKCTJPZFJSHM-UHFFFAOYSA-N 2 1 326.448 1.298 50 0 EDAAMP C[N@@H+](CCc1ccncc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000097113787 442171514 /nfs/dbraw/zinc/17/15/14/442171514.db2.gz FZXKCTJPZFJSHM-UHFFFAOYSA-N 2 1 326.448 1.298 50 0 EDAAMP Cc1cccc(NC[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)[nH+]1 ZINC000097200544 442184384 /nfs/dbraw/zinc/18/43/84/442184384.db2.gz VWVKJHAKIXFMSM-CQSZACIVSA-N 2 1 331.420 1.066 50 0 EDAAMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)[nH+]1 ZINC000097200544 442184389 /nfs/dbraw/zinc/18/43/89/442184389.db2.gz VWVKJHAKIXFMSM-CQSZACIVSA-N 2 1 331.420 1.066 50 0 EDAAMP CN(C[C@@H]1CC[N@@H+](C)C1(C)C)C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426509915 447461466 /nfs/dbraw/zinc/46/14/66/447461466.db2.gz CUQSWBPXPIZBLJ-INIZCTEOSA-N 2 1 333.476 1.755 50 0 EDAAMP COCC[N@H+]1CC[C@H](C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000534632589 448458528 /nfs/dbraw/zinc/45/85/28/448458528.db2.gz GZWNCRGAUDMIIO-INIZCTEOSA-N 2 1 325.497 1.726 50 0 EDAAMP Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000067846964 215228744 /nfs/dbraw/zinc/22/87/44/215228744.db2.gz FVPBNAIHVNGWSI-KRWDZBQOSA-N 2 1 329.448 1.617 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1nccs1)CC[NH+](C)CC2 ZINC000072428358 216219741 /nfs/dbraw/zinc/21/97/41/216219741.db2.gz JUAPMWLUMJPVKJ-AWEZNQCLSA-N 2 1 336.505 1.956 50 0 EDAAMP c1c(CN2CC[NH+](CCc3ccccn3)CC2)nn2c1C[NH2+]CCC2 ZINC000072454040 216240598 /nfs/dbraw/zinc/24/05/98/216240598.db2.gz UZFWURKWYFSDBE-UHFFFAOYSA-N 2 1 340.475 1.132 50 0 EDAAMP Cc1cc(C)nc(CN(C)C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072463675 216246558 /nfs/dbraw/zinc/24/65/58/216246558.db2.gz WDDFMLNIXMYAQU-KRWDZBQOSA-N 2 1 330.476 1.731 50 0 EDAAMP Cc1cc(C)n2ncc(C[NH+]3CCC(O)(C[NH+]4CCCC4)CC3)c2n1 ZINC000215695281 241140720 /nfs/dbraw/zinc/14/07/20/241140720.db2.gz UNWXOLJCCQNJSZ-UHFFFAOYSA-N 2 1 343.475 1.769 50 0 EDAAMP Cc1c(F)cccc1C[N@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095360691 218293480 /nfs/dbraw/zinc/29/34/80/218293480.db2.gz QOOZJOPHJDMORJ-QZTJIDSGSA-N 2 1 335.467 1.422 50 0 EDAAMP C[C@H](CC[NH+]1CCCC1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400527 218334398 /nfs/dbraw/zinc/33/43/98/218334398.db2.gz YAYRMASEPJERDX-MJGOQNOKSA-N 2 1 345.487 1.878 50 0 EDAAMP C[C@H](CC[NH+]1CCCC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400527 218334400 /nfs/dbraw/zinc/33/44/00/218334400.db2.gz YAYRMASEPJERDX-MJGOQNOKSA-N 2 1 345.487 1.878 50 0 EDAAMP C[N@H+]1CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@@H]1CO ZINC000216020610 258072245 /nfs/dbraw/zinc/07/22/45/258072245.db2.gz HTOYQGBMRWATFN-LJQANCHMSA-N 2 1 347.503 1.660 50 0 EDAAMP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000069968879 278867398 /nfs/dbraw/zinc/86/73/98/278867398.db2.gz HCHFPKMJLCJFGQ-UHFFFAOYSA-N 2 1 325.497 1.270 50 0 EDAAMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000058391417 441187998 /nfs/dbraw/zinc/18/79/98/441187998.db2.gz KBCFGHJDFUENKT-RTBURBONSA-N 2 1 343.471 1.875 50 0 EDAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3nccs3)C2)CC1 ZINC000071775693 441153508 /nfs/dbraw/zinc/15/35/08/441153508.db2.gz XLSAUGLXFLVMNX-CQSZACIVSA-N 2 1 336.505 1.608 50 0 EDAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3nccs3)C2)CC1 ZINC000071775693 441153509 /nfs/dbraw/zinc/15/35/09/441153509.db2.gz XLSAUGLXFLVMNX-CQSZACIVSA-N 2 1 336.505 1.608 50 0 EDAAMP Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CN2 ZINC000058432802 441194831 /nfs/dbraw/zinc/19/48/31/441194831.db2.gz VNXBBDPEWNCSBI-INIZCTEOSA-N 2 1 337.431 1.912 50 0 EDAAMP Cc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](Cc2ccccc2)C3)[nH]n1 ZINC000065430918 441431711 /nfs/dbraw/zinc/43/17/11/441431711.db2.gz HSFYYLCDBKILQO-VQIMIIECSA-N 2 1 339.443 1.056 50 0 EDAAMP Cc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](Cc2ccccc2)C3)n[nH]1 ZINC000065430918 441431716 /nfs/dbraw/zinc/43/17/16/441431716.db2.gz HSFYYLCDBKILQO-VQIMIIECSA-N 2 1 339.443 1.056 50 0 EDAAMP Cc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](Cc2ccccc2)C3)n[nH]1 ZINC000065430918 441431720 /nfs/dbraw/zinc/43/17/20/441431720.db2.gz HSFYYLCDBKILQO-VQIMIIECSA-N 2 1 339.443 1.056 50 0 EDAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)c1 ZINC000097200805 442183995 /nfs/dbraw/zinc/18/39/95/442183995.db2.gz DEDATLXMIWSJIW-AWEZNQCLSA-N 2 1 331.420 1.066 50 0 EDAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)c1 ZINC000097200805 442184000 /nfs/dbraw/zinc/18/40/00/442184000.db2.gz DEDATLXMIWSJIW-AWEZNQCLSA-N 2 1 331.420 1.066 50 0 EDAAMP CNC(=O)C[NH+]1CCC(C[N@@H+](C)[C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000252486924 443030062 /nfs/dbraw/zinc/03/00/62/443030062.db2.gz OLZXTESLNGFATI-PKOBYXMFSA-N 2 1 331.460 1.035 50 0 EDAAMP Cc1nc(C2=CCN(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000230156501 443133389 /nfs/dbraw/zinc/13/33/89/443133389.db2.gz RIFXJTGTMRMFRZ-CQSZACIVSA-N 2 1 347.463 1.458 50 0 EDAAMP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1CCOC1=O ZINC000242288054 443209975 /nfs/dbraw/zinc/20/99/75/443209975.db2.gz YKTDNJCJKPHGJT-ZWKOTPCHSA-N 2 1 332.444 1.679 50 0 EDAAMP C[N@@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1CCOC1=O ZINC000242288054 443209978 /nfs/dbraw/zinc/20/99/78/443209978.db2.gz YKTDNJCJKPHGJT-ZWKOTPCHSA-N 2 1 332.444 1.679 50 0 EDAAMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnnn2C)CC1 ZINC000342260667 444595758 /nfs/dbraw/zinc/59/57/58/444595758.db2.gz HCFWVVRAODXKHD-UHFFFAOYSA-N 2 1 328.464 1.637 50 0 EDAAMP CC[C@@H](O)C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639503140 451909112 /nfs/dbraw/zinc/90/91/12/451909112.db2.gz BNEVFIUJSSUDBN-UXHICEINSA-N 2 1 347.503 1.012 50 0 EDAAMP CN(C)C(=O)[C@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639675483 452015842 /nfs/dbraw/zinc/01/58/42/452015842.db2.gz UONQRLYZNYHNLL-HKUYNNGSSA-N 2 1 331.460 1.034 50 0 EDAAMP CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639675483 452015849 /nfs/dbraw/zinc/01/58/49/452015849.db2.gz UONQRLYZNYHNLL-HKUYNNGSSA-N 2 1 331.460 1.034 50 0 EDAAMP CN(C)C(=O)[C@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639675483 452015860 /nfs/dbraw/zinc/01/58/60/452015860.db2.gz UONQRLYZNYHNLL-HKUYNNGSSA-N 2 1 331.460 1.034 50 0 EDAAMP CN(C)C(=O)[C@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639675483 452015868 /nfs/dbraw/zinc/01/58/68/452015868.db2.gz UONQRLYZNYHNLL-HKUYNNGSSA-N 2 1 331.460 1.034 50 0 EDAAMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000225772167 536402423 /nfs/dbraw/zinc/40/24/23/536402423.db2.gz QGXNEAMJJOKDPS-KRWDZBQOSA-N 2 1 335.423 1.443 50 0 EDAAMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000225772167 536402426 /nfs/dbraw/zinc/40/24/26/536402426.db2.gz QGXNEAMJJOKDPS-KRWDZBQOSA-N 2 1 335.423 1.443 50 0 EDAAMP COc1ccc(C[NH2+]CCCO)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012437748 707907191 /nfs/dbraw/zinc/90/71/91/707907191.db2.gz JILFYPBWTXAQQK-INIZCTEOSA-N 2 1 340.464 1.247 50 0 EDAAMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000096420832 282121378 /nfs/dbraw/zinc/12/13/78/282121378.db2.gz CJNOOEHZAOLPJT-ZWKOTPCHSA-N 2 1 331.460 1.298 50 0 EDAAMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000096420832 282121379 /nfs/dbraw/zinc/12/13/79/282121379.db2.gz CJNOOEHZAOLPJT-ZWKOTPCHSA-N 2 1 331.460 1.298 50 0 EDAAMP Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072434248 216229263 /nfs/dbraw/zinc/22/92/63/216229263.db2.gz IQMLWILQMSWRAM-HNNXBMFYSA-N 2 1 332.496 1.342 50 0 EDAAMP Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072434248 216229266 /nfs/dbraw/zinc/22/92/66/216229266.db2.gz IQMLWILQMSWRAM-HNNXBMFYSA-N 2 1 332.496 1.342 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nccn1C)CC[NH+](C)CC2 ZINC000072463247 216244757 /nfs/dbraw/zinc/24/47/57/216244757.db2.gz MJVXYXWZRNPRBZ-INIZCTEOSA-N 2 1 347.507 1.575 50 0 EDAAMP COCC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000229513700 242172088 /nfs/dbraw/zinc/17/20/88/242172088.db2.gz UBBDTKINKFECHG-PXNSSMCTSA-N 2 1 347.503 1.058 50 0 EDAAMP COCC[NH+]1CCN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000229513700 242172094 /nfs/dbraw/zinc/17/20/94/242172094.db2.gz UBBDTKINKFECHG-PXNSSMCTSA-N 2 1 347.503 1.058 50 0 EDAAMP COCC[NH+]1CCN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000229513700 242172100 /nfs/dbraw/zinc/17/21/00/242172100.db2.gz UBBDTKINKFECHG-PXNSSMCTSA-N 2 1 347.503 1.058 50 0 EDAAMP Cc1[nH+]ccn1CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095385494 218317445 /nfs/dbraw/zinc/31/74/45/218317445.db2.gz NXYXXTMNJVJTKA-INIZCTEOSA-N 2 1 334.464 1.541 50 0 EDAAMP Cc1[nH+]ccn1CCN(C)C(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095385494 218317447 /nfs/dbraw/zinc/31/74/47/218317447.db2.gz NXYXXTMNJVJTKA-INIZCTEOSA-N 2 1 334.464 1.541 50 0 EDAAMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000245921175 285021776 /nfs/dbraw/zinc/02/17/76/285021776.db2.gz GZIIVDPIPMVEGX-GVDBMIGSSA-N 2 1 338.496 1.223 50 0 EDAAMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245921175 285021780 /nfs/dbraw/zinc/02/17/80/285021780.db2.gz GZIIVDPIPMVEGX-GVDBMIGSSA-N 2 1 338.496 1.223 50 0 EDAAMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245921175 285021784 /nfs/dbraw/zinc/02/17/84/285021784.db2.gz GZIIVDPIPMVEGX-GVDBMIGSSA-N 2 1 338.496 1.223 50 0 EDAAMP CN1CCC([N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583647 441136643 /nfs/dbraw/zinc/13/66/43/441136643.db2.gz ZLWPGZQQAYONAZ-KRWDZBQOSA-N 2 1 336.524 1.537 50 0 EDAAMP CN1CCC([N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583647 441136644 /nfs/dbraw/zinc/13/66/44/441136644.db2.gz ZLWPGZQQAYONAZ-KRWDZBQOSA-N 2 1 336.524 1.537 50 0 EDAAMP Cc1c[nH+]ccc1N1CCN(C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1 ZINC000063857097 441358690 /nfs/dbraw/zinc/35/86/90/441358690.db2.gz CBSMJRPAIOHHES-WOJBJXKFSA-N 2 1 344.503 1.891 50 0 EDAAMP O=C(NCCCc1ccncc1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065381254 441421130 /nfs/dbraw/zinc/42/11/30/441421130.db2.gz PIHZLXLFVAAFTG-YLJYHZDGSA-N 2 1 342.487 1.594 50 0 EDAAMP C[C@@H]1C[N@@H+](C)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089938982 441600218 /nfs/dbraw/zinc/60/02/18/441600218.db2.gz XLRHNWVAZSVLQL-QGZVFWFLSA-N 2 1 344.503 1.403 50 0 EDAAMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cn1cncn1 ZINC000067723889 441673481 /nfs/dbraw/zinc/67/34/81/441673481.db2.gz QZFOTCXGIZYKTF-UHFFFAOYSA-N 2 1 341.459 1.911 50 0 EDAAMP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nnc(Cc3ccccc3)o2)CC1 ZINC000069877600 442064786 /nfs/dbraw/zinc/06/47/86/442064786.db2.gz IFMQAHPXQYRLHN-OAHLLOKOSA-N 2 1 344.459 1.843 50 0 EDAAMP C[C@@H](C(=O)NC1CCCCCC1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069923586 442077213 /nfs/dbraw/zinc/07/72/13/442077213.db2.gz OXWSCORAQNTACS-INIZCTEOSA-N 2 1 339.524 1.850 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N(C)Cc3ncc[nH]3)C2)CC1 ZINC000071776377 491166772 /nfs/dbraw/zinc/16/67/72/491166772.db2.gz HNDOGPAWTCDMPE-INIZCTEOSA-N 2 1 347.507 1.953 50 0 EDAAMP CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCC4)s3)C[C@H]2C1=O ZINC000097797674 219058079 /nfs/dbraw/zinc/05/80/79/219058079.db2.gz NQUSATXAIJRXOO-GASCZTMLSA-N 2 1 333.457 1.391 50 0 EDAAMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000066960787 215098687 /nfs/dbraw/zinc/09/86/87/215098687.db2.gz ZPGHDONODGUWKR-AWEZNQCLSA-N 2 1 338.496 1.807 50 0 EDAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cccc4nonc43)CC[C@H]21 ZINC000072423543 216213062 /nfs/dbraw/zinc/21/30/62/216213062.db2.gz BMDZTLIKEQZBJL-XJKSGUPXSA-N 2 1 343.431 1.255 50 0 EDAAMP CC[NH+]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC000020907472 212185756 /nfs/dbraw/zinc/18/57/56/212185756.db2.gz YDROCTIARAAMPT-FQEVSTJZSA-N 2 1 348.535 1.348 50 0 EDAAMP C[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(N3CCOCC3)c2)C1 ZINC000091474571 218012083 /nfs/dbraw/zinc/01/20/83/218012083.db2.gz KTHKTFXLHRQSFF-MOPGFXCFSA-N 2 1 347.503 1.515 50 0 EDAAMP C[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(N3CCOCC3)c2)C1 ZINC000091474571 218012086 /nfs/dbraw/zinc/01/20/86/218012086.db2.gz KTHKTFXLHRQSFF-MOPGFXCFSA-N 2 1 347.503 1.515 50 0 EDAAMP Cc1ccc([C@@H]2CN(C(=O)C[NH+](C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095387893 218319605 /nfs/dbraw/zinc/31/96/05/218319605.db2.gz SRQCEGMHUWNRMS-DFQSSKMNSA-N 2 1 327.472 1.945 50 0 EDAAMP O[C@H]1COC[C@@H]1N1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067560796 285368867 /nfs/dbraw/zinc/36/88/67/285368867.db2.gz HPQZPIIUZGFMEC-ROUUACIJSA-N 2 1 337.508 1.066 50 0 EDAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](C3Cc4ccccc4C3)CC[C@H]21 ZINC000072423993 441231445 /nfs/dbraw/zinc/23/14/45/441231445.db2.gz TZIRIZNTDBMDEL-PKOBYXMFSA-N 2 1 327.472 1.686 50 0 EDAAMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000096407749 442116155 /nfs/dbraw/zinc/11/61/55/442116155.db2.gz ZZJUPGCPVMTALJ-SJORKVTESA-N 2 1 327.513 1.264 50 0 EDAAMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000096407749 442116157 /nfs/dbraw/zinc/11/61/57/442116157.db2.gz ZZJUPGCPVMTALJ-SJORKVTESA-N 2 1 327.513 1.264 50 0 EDAAMP C[N@H+]1CCC[C@H](N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C1 ZINC000096443356 442133598 /nfs/dbraw/zinc/13/35/98/442133598.db2.gz RVEYYSVOFPUBML-IBGZPJMESA-N 2 1 329.488 1.876 50 0 EDAAMP Cc1cc(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000097135172 442172924 /nfs/dbraw/zinc/17/29/24/442172924.db2.gz SQSTWTRDBOWYSQ-GOSISDBHSA-N 2 1 343.475 1.616 50 0 EDAAMP CCOCC[N@H+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000246310573 442770884 /nfs/dbraw/zinc/77/08/84/442770884.db2.gz AKKNGPIBEYLNCI-QZTJIDSGSA-N 2 1 327.513 1.122 50 0 EDAAMP CCc1cc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nc(C)n1 ZINC000253425879 443065505 /nfs/dbraw/zinc/06/55/05/443065505.db2.gz HLUBSDNYAWFHTE-UHFFFAOYSA-N 2 1 345.491 1.728 50 0 EDAAMP Cn1cc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)cn1 ZINC000012054270 710365818 /nfs/dbraw/zinc/36/58/18/710365818.db2.gz PCAJDYXYGTXGFT-MRXNPFEDSA-N 2 1 333.480 1.186 50 0 EDAAMP Cn1cc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000012054270 710365822 /nfs/dbraw/zinc/36/58/22/710365822.db2.gz PCAJDYXYGTXGFT-MRXNPFEDSA-N 2 1 333.480 1.186 50 0 EDAAMP c1cc(C[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc(N2CC[NH2+]CC2)c1 ZINC000072409510 216200540 /nfs/dbraw/zinc/20/05/40/216200540.db2.gz LVMMOPIIIMUYLU-VQTJNVASSA-N 2 1 345.487 1.519 50 0 EDAAMP CNc1nc(N2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)cc(C)[nH+]1 ZINC000072422521 216212279 /nfs/dbraw/zinc/21/22/79/216212279.db2.gz IMBYBJFXQSSNMF-QGZVFWFLSA-N 2 1 341.459 1.900 50 0 EDAAMP CCC[N@H+]1CCCN(c2nc(COCC)nc3c2CC[NH2+]CC3)CC1 ZINC000072468544 216247759 /nfs/dbraw/zinc/24/77/59/216247759.db2.gz YANMSSXWDWONDO-UHFFFAOYSA-N 2 1 347.507 1.623 50 0 EDAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000408525537 250303282 /nfs/dbraw/zinc/30/32/82/250303282.db2.gz SJMQQYHYWMRLKN-ZIFCJYIRSA-N 2 1 336.524 1.393 50 0 EDAAMP Cc1ccc2nc(CC[NH2+][C@@H](C)CN3CC[NH+](C)CC3)[nH]c2c1C ZINC000067910109 441696183 /nfs/dbraw/zinc/69/61/83/441696183.db2.gz AFZMSOFNWZDQHJ-HNNXBMFYSA-N 2 1 329.492 1.948 50 0 EDAAMP Cc1ccccc1[C@H](C(=O)NCC[NH+]1CCC(CO)CC1)[NH+](C)C ZINC000095510141 441943187 /nfs/dbraw/zinc/94/31/87/441943187.db2.gz GQDCZMOCOPWOSC-GOSISDBHSA-N 2 1 333.476 1.418 50 0 EDAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000237414973 443170900 /nfs/dbraw/zinc/17/09/00/443170900.db2.gz HMQRNNWTGPYBSV-HZPDHXFCSA-N 2 1 331.460 1.731 50 0 EDAAMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC2CC[NH+](CCO)CC2)[C@H]1C ZINC000241587783 443208101 /nfs/dbraw/zinc/20/81/01/443208101.db2.gz OXEKQOJMDFZNEQ-RYRKJORJSA-N 2 1 339.524 1.563 50 0 EDAAMP COc1cc(OC)cc(N2CCC[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)c1 ZINC000864096538 596754199 /nfs/dbraw/zinc/75/41/99/596754199.db2.gz DJQCBGLRALJVTA-KKXDTOCCSA-N 2 1 335.448 1.067 50 0 EDAAMP Cc1cnn(C[C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000072253322 216083080 /nfs/dbraw/zinc/08/30/80/216083080.db2.gz CZVZPHQJWWPBMR-SFHVURJKSA-N 2 1 345.491 1.399 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCn1cc(C)cn1)CC[NH+](C)CC2 ZINC000072468506 216247332 /nfs/dbraw/zinc/24/73/32/216247332.db2.gz TWPOKRNZEXBRJP-KRWDZBQOSA-N 2 1 347.507 1.504 50 0 EDAAMP CN1CC[NH+](CCOc2ccccc2CN2CCC[C@@H]([NH3+])C2)CC1 ZINC000216340326 241182904 /nfs/dbraw/zinc/18/29/04/241182904.db2.gz GDCKBYVAXUFNSE-GOSISDBHSA-N 2 1 332.492 1.236 50 0 EDAAMP COc1cccc([C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2[NH3+])c1 ZINC000091906619 218087097 /nfs/dbraw/zinc/08/70/97/218087097.db2.gz QGSANMNRKICNKL-MSOLQXFVSA-N 2 1 342.443 1.934 50 0 EDAAMP COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000004746144 210268456 /nfs/dbraw/zinc/26/84/56/210268456.db2.gz HEPKHPHLTVGJQL-QGZVFWFLSA-N 2 1 331.460 1.681 50 0 EDAAMP COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000004746144 210268459 /nfs/dbraw/zinc/26/84/59/210268459.db2.gz HEPKHPHLTVGJQL-QGZVFWFLSA-N 2 1 331.460 1.681 50 0 EDAAMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299771221 258083671 /nfs/dbraw/zinc/08/36/71/258083671.db2.gz WWQQUUVAOZFXNE-MHORFTMASA-N 2 1 335.448 1.070 50 0 EDAAMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299771221 258083672 /nfs/dbraw/zinc/08/36/72/258083672.db2.gz WWQQUUVAOZFXNE-MHORFTMASA-N 2 1 335.448 1.070 50 0 EDAAMP Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000015063741 441194581 /nfs/dbraw/zinc/19/45/81/441194581.db2.gz IEOTZLRKJXQVED-MRXNPFEDSA-N 2 1 330.476 1.812 50 0 EDAAMP Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000015063741 441194583 /nfs/dbraw/zinc/19/45/83/441194583.db2.gz IEOTZLRKJXQVED-MRXNPFEDSA-N 2 1 330.476 1.812 50 0 EDAAMP C[N@@H+](CCC(=O)N1CCc2ccccc21)CC1CC[NH+](CCO)CC1 ZINC000069628379 441995704 /nfs/dbraw/zinc/99/57/04/441995704.db2.gz WRVSIEXYAMRUQI-UHFFFAOYSA-N 2 1 345.487 1.602 50 0 EDAAMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000096407747 442116040 /nfs/dbraw/zinc/11/60/40/442116040.db2.gz ZZJUPGCPVMTALJ-IRXDYDNUSA-N 2 1 327.513 1.264 50 0 EDAAMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000096407747 442116044 /nfs/dbraw/zinc/11/60/44/442116044.db2.gz ZZJUPGCPVMTALJ-IRXDYDNUSA-N 2 1 327.513 1.264 50 0 EDAAMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2F)CC1 ZINC000179105241 442573197 /nfs/dbraw/zinc/57/31/97/442573197.db2.gz XPRKFBONFHPZQJ-CQSZACIVSA-N 2 1 334.439 1.402 50 0 EDAAMP CC1CC[NH+](C[C@@H](O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000247091857 442834122 /nfs/dbraw/zinc/83/41/22/442834122.db2.gz HRKKVHIIJQASAQ-ROUUACIJSA-N 2 1 347.507 1.470 50 0 EDAAMP CC1CC[NH+](C[C@@H](O)C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000247091857 442834128 /nfs/dbraw/zinc/83/41/28/442834128.db2.gz HRKKVHIIJQASAQ-ROUUACIJSA-N 2 1 347.507 1.470 50 0 EDAAMP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000229515069 443128558 /nfs/dbraw/zinc/12/85/58/443128558.db2.gz CWVSQYGHMQMEHV-MOPGFXCFSA-N 2 1 349.523 1.700 50 0 EDAAMP Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000229515069 443128562 /nfs/dbraw/zinc/12/85/62/443128562.db2.gz CWVSQYGHMQMEHV-MOPGFXCFSA-N 2 1 349.523 1.700 50 0 EDAAMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)oc1C ZINC000237721690 443180825 /nfs/dbraw/zinc/18/08/25/443180825.db2.gz LWOKCJMMUBXIJZ-HZPDHXFCSA-N 2 1 334.464 1.747 50 0 EDAAMP CC[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236985927 443154533 /nfs/dbraw/zinc/15/45/33/443154533.db2.gz VDJQDONODMATOQ-OALUTQOASA-N 2 1 345.487 1.782 50 0 EDAAMP CC[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236985927 443154536 /nfs/dbraw/zinc/15/45/36/443154536.db2.gz VDJQDONODMATOQ-OALUTQOASA-N 2 1 345.487 1.782 50 0 EDAAMP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@@H]1CCN(c2ccccc2)C1 ZINC000072131987 216021288 /nfs/dbraw/zinc/02/12/88/216021288.db2.gz ZCOVFPUXTRAOBH-INIZCTEOSA-N 2 1 325.460 1.945 50 0 EDAAMP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@@H]1CCN(c2ccccc2)C1 ZINC000072131987 216021290 /nfs/dbraw/zinc/02/12/90/216021290.db2.gz ZCOVFPUXTRAOBH-INIZCTEOSA-N 2 1 325.460 1.945 50 0 EDAAMP Cc1csc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000019337389 212017886 /nfs/dbraw/zinc/01/78/86/212017886.db2.gz VCCDBJIHOWWBSO-CQSZACIVSA-N 2 1 336.505 1.874 50 0 EDAAMP Cc1csc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000019337389 212017890 /nfs/dbraw/zinc/01/78/90/212017890.db2.gz VCCDBJIHOWWBSO-CQSZACIVSA-N 2 1 336.505 1.874 50 0 EDAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2CO)CC1 ZINC000091494396 218013875 /nfs/dbraw/zinc/01/38/75/218013875.db2.gz KACGBUSYXOXLIR-WOJBJXKFSA-N 2 1 331.504 1.673 50 0 EDAAMP CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091794370 218067354 /nfs/dbraw/zinc/06/73/54/218067354.db2.gz KODFRFBRVKFRGY-DOTOQJQBSA-N 2 1 346.475 1.547 50 0 EDAAMP CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091794370 218067356 /nfs/dbraw/zinc/06/73/56/218067356.db2.gz KODFRFBRVKFRGY-DOTOQJQBSA-N 2 1 346.475 1.547 50 0 EDAAMP C[NH+](C)Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c1 ZINC000091846395 218076322 /nfs/dbraw/zinc/07/63/22/218076322.db2.gz DSHHLMBFNARXAQ-WOJBJXKFSA-N 3 1 331.504 1.884 50 0 EDAAMP C[NH+](C)Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c1 ZINC000091846395 218076324 /nfs/dbraw/zinc/07/63/24/218076324.db2.gz DSHHLMBFNARXAQ-WOJBJXKFSA-N 3 1 331.504 1.884 50 0 EDAAMP C[NH+](C)CCCn1ccnc1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000095360965 218294214 /nfs/dbraw/zinc/29/42/14/218294214.db2.gz MHOMEEJHPYWMBS-UHFFFAOYSA-N 2 1 329.452 1.591 50 0 EDAAMP COc1cccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1OCCC[NH3+] ZINC000299756832 258074888 /nfs/dbraw/zinc/07/48/88/258074888.db2.gz JHZCATRKRVTBBS-AWEZNQCLSA-N 2 1 333.432 1.343 50 0 EDAAMP C[N@H+](Cc1nnc(-c2ccccc2)o1)CC1CC[NH+](CCO)CC1 ZINC000069949178 441094653 /nfs/dbraw/zinc/09/46/53/441094653.db2.gz UYNFWUNXALGBQD-UHFFFAOYSA-N 2 1 330.432 1.873 50 0 EDAAMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000102858600 441172720 /nfs/dbraw/zinc/17/27/20/441172720.db2.gz YBGBSPQIOUYZOM-ZWJWXYIHSA-N 2 1 325.456 1.575 50 0 EDAAMP COCC[N@H+]1CCN(C[C@H](O)C[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000072253919 441210481 /nfs/dbraw/zinc/21/04/81/441210481.db2.gz UBBDTKINKFECHG-FXAWDEMLSA-N 2 1 347.503 1.058 50 0 EDAAMP COCC[NH+]1CCN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000072253919 441210485 /nfs/dbraw/zinc/21/04/85/441210485.db2.gz UBBDTKINKFECHG-FXAWDEMLSA-N 2 1 347.503 1.058 50 0 EDAAMP COCC[NH+]1CCN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000072253919 441210491 /nfs/dbraw/zinc/21/04/91/441210491.db2.gz UBBDTKINKFECHG-FXAWDEMLSA-N 2 1 347.503 1.058 50 0 EDAAMP C[C@@H]1CCC[N@@H+](CCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)C1 ZINC000065406695 441428758 /nfs/dbraw/zinc/42/87/58/441428758.db2.gz GMEGITLBFHULAZ-GFCCVEGCSA-N 2 1 332.473 1.836 50 0 EDAAMP Cc1nc(C)n(C[C@H]2CCC[N@H+]2C[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000069529293 441966509 /nfs/dbraw/zinc/96/65/09/441966509.db2.gz SBEPHVHEECAHFG-QZTJIDSGSA-N 2 1 335.496 1.452 50 0 EDAAMP Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000069529293 441966514 /nfs/dbraw/zinc/96/65/14/441966514.db2.gz SBEPHVHEECAHFG-QZTJIDSGSA-N 2 1 335.496 1.452 50 0 EDAAMP Cc1c[nH+]ccc1N1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426438646 447444890 /nfs/dbraw/zinc/44/48/90/447444890.db2.gz LEQUCZAKXIASLR-CQSZACIVSA-N 2 1 340.431 1.593 50 0 EDAAMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069771897 442035241 /nfs/dbraw/zinc/03/52/41/442035241.db2.gz WLLWAOVNAHHTMD-UHFFFAOYSA-N 2 1 349.475 1.156 50 0 EDAAMP O=C(C[N@H+]1CCCC[C@@H]1Cn1cccn1)NC1CC[NH+](C2CC2)CC1 ZINC000069813424 442047500 /nfs/dbraw/zinc/04/75/00/442047500.db2.gz AULHKQJGHFSKED-GOSISDBHSA-N 2 1 345.491 1.481 50 0 EDAAMP O=C(C[NH+]1CCCCCC1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000252496988 443033865 /nfs/dbraw/zinc/03/38/65/443033865.db2.gz PXCZSJCROQPMJV-QZTJIDSGSA-N 2 1 346.475 1.009 50 0 EDAAMP O=C(C[NH+]1CCCCCC1)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000252496988 443033870 /nfs/dbraw/zinc/03/38/70/443033870.db2.gz PXCZSJCROQPMJV-QZTJIDSGSA-N 2 1 346.475 1.009 50 0 EDAAMP CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000223452856 443090346 /nfs/dbraw/zinc/09/03/46/443090346.db2.gz WVDLYOPDMIFJEI-IYWMVGAKSA-N 2 1 329.488 1.958 50 0 EDAAMP C[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+](C)CCc2ccccc2)C1 ZINC000426478982 447452626 /nfs/dbraw/zinc/45/26/26/447452626.db2.gz QLGPRLPMJHBTQO-GOSISDBHSA-N 2 1 332.492 1.754 50 0 EDAAMP Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](C)CC2)C1 ZINC000426633886 447482380 /nfs/dbraw/zinc/48/23/80/447482380.db2.gz LMJBGSUIBGHWAR-QGZVFWFLSA-N 2 1 330.476 1.741 50 0 EDAAMP Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)N2CC[NH+](C)CC2)C1 ZINC000426633886 447482387 /nfs/dbraw/zinc/48/23/87/447482387.db2.gz LMJBGSUIBGHWAR-QGZVFWFLSA-N 2 1 330.476 1.741 50 0 EDAAMP C[NH+]1CCC(O)(C(=O)NCC[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000670435473 486510764 /nfs/dbraw/zinc/51/07/64/486510764.db2.gz HWEDVCCPQFVYPR-KRWDZBQOSA-N 2 1 337.508 1.747 50 0 EDAAMP Cc1ncsc1CCCNC(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072439834 216234064 /nfs/dbraw/zinc/23/40/64/216234064.db2.gz LDIXTFNUTQUKBT-CQSZACIVSA-N 2 1 336.505 1.574 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072469676 216248541 /nfs/dbraw/zinc/24/85/41/216248541.db2.gz RBMRQPKGWLPCPZ-HNNXBMFYSA-N 2 1 333.480 1.564 50 0 EDAAMP Cc1[nH+]ccn1C[C@H]1CCCN(c2nc(C)nc3c2CC[NH2+]CC3)C1 ZINC000072475772 216252721 /nfs/dbraw/zinc/25/27/21/216252721.db2.gz QCEAVMDUPGUOFX-MRXNPFEDSA-N 2 1 340.475 1.895 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCCn1cccn1)CC[NH+](C)CC2 ZINC000072480814 216259552 /nfs/dbraw/zinc/25/95/52/216259552.db2.gz NFVXVNCJHFOUFH-QGZVFWFLSA-N 2 1 347.507 1.586 50 0 EDAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N(C)C)nc1 ZINC000078724213 217108514 /nfs/dbraw/zinc/10/85/14/217108514.db2.gz DGTJXLUXBAVSIJ-KRWDZBQOSA-N 2 1 347.507 1.636 50 0 EDAAMP CCCCSc1nc(N2CC[C@](O)(C[NH+](C)C)C2)cc(N)[nH+]1 ZINC000095353971 218287718 /nfs/dbraw/zinc/28/77/18/218287718.db2.gz SQJVBCNZKKDNPA-HNNXBMFYSA-N 2 1 325.482 1.454 50 0 EDAAMP COc1ccc(-n2cccn2)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097600988 219038796 /nfs/dbraw/zinc/03/87/96/219038796.db2.gz YPQUOJFQLAYWLD-QGZVFWFLSA-N 2 1 341.459 1.360 50 0 EDAAMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC000102800283 258069515 /nfs/dbraw/zinc/06/95/15/258069515.db2.gz CFVHMGBCHDESNO-IMSKVBIZSA-N 2 1 344.459 1.180 50 0 EDAAMP Cc1ccc(-c2cccc(C(=O)N3CCO[C@H](CC[NH3+])C3)c2)c(N)[nH+]1 ZINC000426388430 447431189 /nfs/dbraw/zinc/43/11/89/447431189.db2.gz QRMAJYJZROOHMH-MRXNPFEDSA-N 2 1 340.427 1.829 50 0 EDAAMP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000089696705 441571528 /nfs/dbraw/zinc/57/15/28/441571528.db2.gz HMNBBOGZFJOIGN-GOSISDBHSA-N 2 1 327.428 1.952 50 0 EDAAMP CCCc1nc(N2CCC([NH2+]C[C@@H]3COCCO3)CC2)cc(C)[nH+]1 ZINC000095508117 441942584 /nfs/dbraw/zinc/94/25/84/441942584.db2.gz VBVDOFGJPVSKRX-MRXNPFEDSA-N 2 1 334.464 1.711 50 0 EDAAMP Cc1[nH+]c(N)nc(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)c1Cl ZINC000095521093 441947248 /nfs/dbraw/zinc/94/72/48/441947248.db2.gz ZMDHLZCTCNMKMM-LBPRGKRZSA-N 2 1 325.844 1.758 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nccn2CC(F)(F)F)CC1 ZINC000069658771 442004351 /nfs/dbraw/zinc/00/43/51/442004351.db2.gz MEWDYXSJPZPOCY-ZDUSSCGKSA-N 2 1 348.413 1.970 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nccn2CC(F)(F)F)CC1 ZINC000069658771 442004357 /nfs/dbraw/zinc/00/43/57/442004357.db2.gz MEWDYXSJPZPOCY-ZDUSSCGKSA-N 2 1 348.413 1.970 50 0 EDAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCC(=O)N3CCOCC3)C2)c1 ZINC000097200799 442184935 /nfs/dbraw/zinc/18/49/35/442184935.db2.gz PUZLYBUSKOQIDU-INIZCTEOSA-N 2 1 332.448 1.373 50 0 EDAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCC(=O)N3CCOCC3)C2)c1 ZINC000097200799 442184937 /nfs/dbraw/zinc/18/49/37/442184937.db2.gz PUZLYBUSKOQIDU-INIZCTEOSA-N 2 1 332.448 1.373 50 0 EDAAMP C[NH2+]CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000237213502 443164537 /nfs/dbraw/zinc/16/45/37/443164537.db2.gz MWAYDQAMYINDSA-UHFFFAOYSA-N 2 1 340.265 1.749 50 0 EDAAMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@H]3[NH3+])CC2)oc1C ZINC000237723380 443180263 /nfs/dbraw/zinc/18/02/63/443180263.db2.gz LWOKCJMMUBXIJZ-JKSUJKDBSA-N 2 1 334.464 1.747 50 0 EDAAMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000245339245 443220714 /nfs/dbraw/zinc/22/07/14/443220714.db2.gz RKRWISZLPPQKMZ-ZBFHGGJFSA-N 2 1 325.522 1.899 50 0 EDAAMP COCC[N@H+]1CC[C@H](C(=O)N2CCC[NH+](C3CCCCC3)CC2)C1 ZINC000584892620 448666533 /nfs/dbraw/zinc/66/65/33/448666533.db2.gz KOZMWRUOEXETKD-KRWDZBQOSA-N 2 1 337.508 1.822 50 0 EDAAMP COCC[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)C1 ZINC000584892620 448666537 /nfs/dbraw/zinc/66/65/37/448666537.db2.gz KOZMWRUOEXETKD-KRWDZBQOSA-N 2 1 337.508 1.822 50 0 EDAAMP COCC[NH+]1CC[C@H](C(=O)N2CCC[N@H+](C3CCCCC3)CC2)C1 ZINC000584892620 448666543 /nfs/dbraw/zinc/66/65/43/448666543.db2.gz KOZMWRUOEXETKD-KRWDZBQOSA-N 2 1 337.508 1.822 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cc[nH]n1)CC[NH+](C)CC2 ZINC000072430141 216221970 /nfs/dbraw/zinc/22/19/70/216221970.db2.gz XSJOWNLUOYOPFD-INIZCTEOSA-N 2 1 333.480 1.564 50 0 EDAAMP Cn1cc([C@@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[NH+](C)C)cn1 ZINC000230212236 242250328 /nfs/dbraw/zinc/25/03/28/242250328.db2.gz UOMCGJIVLAUUOE-USXIJHARSA-N 2 1 348.495 1.149 50 0 EDAAMP Cn1cc([C@@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[NH+](C)C)cn1 ZINC000230212236 242250339 /nfs/dbraw/zinc/25/03/39/242250339.db2.gz UOMCGJIVLAUUOE-USXIJHARSA-N 2 1 348.495 1.149 50 0 EDAAMP Nc1nc(NCC[N@H+]2CCc3ccccc3C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244882561 243094818 /nfs/dbraw/zinc/09/48/18/243094818.db2.gz XUBZPWJBWUXMSF-IYBDPMFKSA-N 2 1 338.459 1.734 50 0 EDAAMP CC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)CC1 ZINC000020540839 212145910 /nfs/dbraw/zinc/14/59/10/212145910.db2.gz YOIHUUKHGHBBSG-SFHVURJKSA-N 2 1 327.472 1.829 50 0 EDAAMP C[NH+]1CCC([NH2+]C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)CC1 ZINC000020454543 212132344 /nfs/dbraw/zinc/13/23/44/212132344.db2.gz RRGQGYVBUOYDJB-IBGZPJMESA-N 2 1 349.450 1.363 50 0 EDAAMP C[NH+](C)CCNC(=O)CCc1cc2n(n1)CCC[N@H+](C1CCCC1)C2 ZINC000091858716 218078603 /nfs/dbraw/zinc/07/86/03/218078603.db2.gz WHMHZWAWFDKPDG-UHFFFAOYSA-N 2 1 347.507 1.642 50 0 EDAAMP C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095416631 218355972 /nfs/dbraw/zinc/35/59/72/218355972.db2.gz MELVIPNRJOXBCY-SJLPKXTDSA-N 2 1 347.507 1.913 50 0 EDAAMP Cc1ccc(C[N@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@@H]2CCO)o1 ZINC000072477791 258064983 /nfs/dbraw/zinc/06/49/83/258064983.db2.gz DPTTVVRUADIYKJ-AWEZNQCLSA-N 2 1 331.420 1.342 50 0 EDAAMP C[C@@H](Cn1cccn1)[NH2+]CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000075133211 441501178 /nfs/dbraw/zinc/50/11/78/441501178.db2.gz OYSLXMUIXCJKND-WMZOPIPTSA-N 2 1 341.459 1.252 50 0 EDAAMP CC(C)[NH+](CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1)C(C)C ZINC000043284840 441828570 /nfs/dbraw/zinc/82/85/70/441828570.db2.gz BHGWMWMUOXPSLW-UHFFFAOYSA-N 2 1 349.523 1.867 50 0 EDAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000261932337 443174773 /nfs/dbraw/zinc/17/47/73/443174773.db2.gz LNRNSIGGWOIFHE-FGTMMUONSA-N 2 1 348.535 1.393 50 0 EDAAMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)oc1C ZINC000237721599 443180459 /nfs/dbraw/zinc/18/04/59/443180459.db2.gz LWOKCJMMUBXIJZ-CVEARBPZSA-N 2 1 334.464 1.747 50 0 EDAAMP [NH3+]C1(C(=O)NC[C@H]2CC[N@H+](C3Cc4ccccc4C3)C2)CCCC1 ZINC000067847574 215230293 /nfs/dbraw/zinc/23/02/93/215230293.db2.gz KCDZMOCAQMOMLO-OAHLLOKOSA-N 2 1 327.472 1.863 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N1CCc3n[nH]cc3C1)CC[NH+](C)CC2 ZINC000072479847 216260506 /nfs/dbraw/zinc/26/05/06/216260506.db2.gz MEVMOOPDHVYUJO-QGZVFWFLSA-N 2 1 345.491 1.491 50 0 EDAAMP OC[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@H]1C[NH+]1CCC(O)CC1 ZINC000095359096 218292247 /nfs/dbraw/zinc/29/22/47/218292247.db2.gz FLCMSOZEMNUBAC-QZTJIDSGSA-N 2 1 330.472 1.151 50 0 EDAAMP OC[C@H]1C[N@H+](C2Cc3ccccc3C2)C[C@H]1C[NH+]1CCC(O)CC1 ZINC000095359096 218292249 /nfs/dbraw/zinc/29/22/49/218292249.db2.gz FLCMSOZEMNUBAC-QZTJIDSGSA-N 2 1 330.472 1.151 50 0 EDAAMP Cc1nc[nH]c1C[NH+]1CCC2(CCC(=O)N([C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000095373229 218305531 /nfs/dbraw/zinc/30/55/31/218305531.db2.gz GARXECAQSUSXFG-INIZCTEOSA-N 2 1 345.491 1.627 50 0 EDAAMP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)C2)cc1NC(=O)C[NH+](C)C ZINC000299791792 258097206 /nfs/dbraw/zinc/09/72/06/258097206.db2.gz FWNFVIONOSUXLV-HNNXBMFYSA-N 2 1 347.463 1.663 50 0 EDAAMP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)C2)cc1NC(=O)C[NH+](C)C ZINC000299791792 258097207 /nfs/dbraw/zinc/09/72/07/258097207.db2.gz FWNFVIONOSUXLV-HNNXBMFYSA-N 2 1 347.463 1.663 50 0 EDAAMP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000333543330 304537460 /nfs/dbraw/zinc/53/74/60/304537460.db2.gz JLVTZMOHFQZPRX-LJQANCHMSA-N 2 1 336.439 1.557 50 0 EDAAMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(I)cc1 ZINC000003074278 440888069 /nfs/dbraw/zinc/88/80/69/440888069.db2.gz JRPWIFUWNNYKIU-UHFFFAOYSA-N 2 1 343.172 1.477 50 0 EDAAMP Nc1nc(N2CCC[N@@H+](C3CCCC3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426405076 447436923 /nfs/dbraw/zinc/43/69/23/447436923.db2.gz CAWMDUGFKIJIQK-AWEZNQCLSA-N 2 1 331.464 2.017 50 0 EDAAMP Nc1nc(N2CCC[N@H+](C3CCCC3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426405076 447436933 /nfs/dbraw/zinc/43/69/33/447436933.db2.gz CAWMDUGFKIJIQK-AWEZNQCLSA-N 2 1 331.464 2.017 50 0 EDAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)NC2CCCC2)CC1 ZINC000070039686 441108026 /nfs/dbraw/zinc/10/80/26/441108026.db2.gz SKDYSMCUIIUKOD-OAHLLOKOSA-N 2 1 325.497 1.460 50 0 EDAAMP CN(CCn1cccn1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071762665 441152958 /nfs/dbraw/zinc/15/29/58/441152958.db2.gz NMMQSFHJSGOTIY-MRXNPFEDSA-N 2 1 333.480 1.148 50 0 EDAAMP CN(CCn1cccn1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071762665 441152960 /nfs/dbraw/zinc/15/29/60/441152960.db2.gz NMMQSFHJSGOTIY-MRXNPFEDSA-N 2 1 333.480 1.148 50 0 EDAAMP O=C(C[C@H]1COCC[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000082097918 441332520 /nfs/dbraw/zinc/33/25/20/441332520.db2.gz FXRSXXXRMZSNPT-IBGZPJMESA-N 2 1 345.487 1.532 50 0 EDAAMP O[C@@]1(C[NH+]2CCC(Nc3ncccn3)CC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063857164 441358527 /nfs/dbraw/zinc/35/85/27/441358527.db2.gz DVACLYGFTNCZSV-IEBWSBKVSA-N 2 1 345.491 1.732 50 0 EDAAMP Cc1ccc(C)c2c(=O)cc(C[NH2+]C[C@@H]3CCC[N@H+](CCO)C3)[nH]c12 ZINC000091269883 441690433 /nfs/dbraw/zinc/69/04/33/441690433.db2.gz GOWGCWKDISZAIC-INIZCTEOSA-N 2 1 343.471 1.939 50 0 EDAAMP Cc1ccc(C)c2c(=O)cc(C[NH2+]C[C@@H]3CCC[N@@H+](CCO)C3)[nH]c12 ZINC000091269883 441690438 /nfs/dbraw/zinc/69/04/38/441690438.db2.gz GOWGCWKDISZAIC-INIZCTEOSA-N 2 1 343.471 1.939 50 0 EDAAMP C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000067739425 441675232 /nfs/dbraw/zinc/67/52/32/441675232.db2.gz XQOLEWDZCXHUPQ-MRXNPFEDSA-N 2 1 331.464 1.095 50 0 EDAAMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000253390350 443051904 /nfs/dbraw/zinc/05/19/04/443051904.db2.gz KQYOYFOYACFNHD-QRQLOZEOSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000253390350 443051910 /nfs/dbraw/zinc/05/19/10/443051910.db2.gz KQYOYFOYACFNHD-QRQLOZEOSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000253390350 443051913 /nfs/dbraw/zinc/05/19/13/443051913.db2.gz KQYOYFOYACFNHD-QRQLOZEOSA-N 2 1 345.487 1.470 50 0 EDAAMP O=C(C[NH+]1CCCCCC1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257183389 443118897 /nfs/dbraw/zinc/11/88/97/443118897.db2.gz HMZUVSRXEKJLHC-RBUKOAKNSA-N 2 1 345.487 1.472 50 0 EDAAMP C[N@@H+](CCNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000241965633 443209381 /nfs/dbraw/zinc/20/93/81/443209381.db2.gz UUOODDHUNVNQLF-ROUUACIJSA-N 2 1 346.475 1.281 50 0 EDAAMP C[NH+](CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000241965633 443209384 /nfs/dbraw/zinc/20/93/84/443209384.db2.gz UUOODDHUNVNQLF-ROUUACIJSA-N 2 1 346.475 1.281 50 0 EDAAMP C[NH+](CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000241965633 443209390 /nfs/dbraw/zinc/20/93/90/443209390.db2.gz UUOODDHUNVNQLF-ROUUACIJSA-N 2 1 346.475 1.281 50 0 EDAAMP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCC[NH+]1CCCCCC1 ZINC000584887028 448664286 /nfs/dbraw/zinc/66/42/86/448664286.db2.gz SOPNYXYDBVZFEH-IRXDYDNUSA-N 2 1 325.497 1.866 50 0 EDAAMP CC(C)c1nc(CCN(C)C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)no1 ZINC000072424690 216215348 /nfs/dbraw/zinc/21/53/48/216215348.db2.gz YRWJZROUGFHHGC-CQSZACIVSA-N 2 1 349.479 1.268 50 0 EDAAMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000081354433 217387309 /nfs/dbraw/zinc/38/73/09/217387309.db2.gz LZYDRPFWPCYBIH-SFHVURJKSA-N 2 1 344.503 1.458 50 0 EDAAMP CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc[nH+]c(N)n1)CC2 ZINC000091779556 218065257 /nfs/dbraw/zinc/06/52/57/218065257.db2.gz PWSUCRNWGUJBOM-UHFFFAOYSA-N 2 1 341.463 1.792 50 0 EDAAMP CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(c1cc[nH+]c(N)n1)CC2 ZINC000091779556 218065259 /nfs/dbraw/zinc/06/52/59/218065259.db2.gz PWSUCRNWGUJBOM-UHFFFAOYSA-N 2 1 341.463 1.792 50 0 EDAAMP CCc1[nH+]ccn1CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095373589 218307016 /nfs/dbraw/zinc/30/70/16/218307016.db2.gz FKAGEZUTORWHPV-MRXNPFEDSA-N 2 1 348.491 1.843 50 0 EDAAMP CCc1[nH+]ccn1CCCNC(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095373589 218307019 /nfs/dbraw/zinc/30/70/19/218307019.db2.gz FKAGEZUTORWHPV-MRXNPFEDSA-N 2 1 348.491 1.843 50 0 EDAAMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000058391418 441187735 /nfs/dbraw/zinc/18/77/35/441187735.db2.gz KBCFGHJDFUENKT-MOPGFXCFSA-N 2 1 343.471 1.875 50 0 EDAAMP Cc1nc2c(c(N3CC[N@H+](C)[C@@H](c4ccccc4)C3)n1)CC[NH2+]CC2 ZINC000106950933 441394144 /nfs/dbraw/zinc/39/41/44/441394144.db2.gz PBPNLYPOGKHUJP-LJQANCHMSA-N 2 1 337.471 1.966 50 0 EDAAMP CNc1ncc(C[N@@H+](C)CC2(c3ccc(C)cn3)CC[NH2+]CC2)cn1 ZINC000065535072 441454113 /nfs/dbraw/zinc/45/41/13/441454113.db2.gz MHNDKFRWOSCZBU-UHFFFAOYSA-N 2 1 340.475 1.975 50 0 EDAAMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCSC3)c2)C1 ZINC000110687301 441522205 /nfs/dbraw/zinc/52/22/05/441522205.db2.gz HLJKGWALGYUKPT-SJORKVTESA-N 2 1 333.501 1.979 50 0 EDAAMP Cc1ccccc1[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)[NH+](C)C ZINC000095497345 441937804 /nfs/dbraw/zinc/93/78/04/441937804.db2.gz CDYMQOJFODCYTF-QGZVFWFLSA-N 2 1 333.476 1.825 50 0 EDAAMP C[N@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)CC1CC1 ZINC000095508063 441942787 /nfs/dbraw/zinc/94/27/87/441942787.db2.gz HYOZBFORGINEDJ-IBGZPJMESA-N 2 1 347.503 1.516 50 0 EDAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@H+](C)CC3CC3)cc2)CC1 ZINC000095508063 441942803 /nfs/dbraw/zinc/94/28/03/441942803.db2.gz HYOZBFORGINEDJ-IBGZPJMESA-N 2 1 347.503 1.516 50 0 EDAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+](C)CC3CC3)cc2)CC1 ZINC000095508063 441942806 /nfs/dbraw/zinc/94/28/06/441942806.db2.gz HYOZBFORGINEDJ-IBGZPJMESA-N 2 1 347.503 1.516 50 0 EDAAMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000096489270 442142913 /nfs/dbraw/zinc/14/29/13/442142913.db2.gz KZCDIDUXZCHRTA-GOSISDBHSA-N 2 1 346.475 1.486 50 0 EDAAMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000096489270 442142916 /nfs/dbraw/zinc/14/29/16/442142916.db2.gz KZCDIDUXZCHRTA-GOSISDBHSA-N 2 1 346.475 1.486 50 0 EDAAMP CNC(=O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000097034118 442158012 /nfs/dbraw/zinc/15/80/12/442158012.db2.gz OLZXTESLNGFATI-MJGOQNOKSA-N 2 1 331.460 1.035 50 0 EDAAMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C)CC1 ZINC000170595922 442233484 /nfs/dbraw/zinc/23/34/84/442233484.db2.gz KWUVYJPCWLFDDF-CABCVRRESA-N 2 1 340.512 1.116 50 0 EDAAMP c1ccc(N2CCN(CC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000252478798 443026338 /nfs/dbraw/zinc/02/63/38/443026338.db2.gz AVGHRFIEHRUQIP-FQEVSTJZSA-N 2 1 328.504 1.884 50 0 EDAAMP c1ccc(N2CCN(CC[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000252478798 443026341 /nfs/dbraw/zinc/02/63/41/443026341.db2.gz AVGHRFIEHRUQIP-FQEVSTJZSA-N 2 1 328.504 1.884 50 0 EDAAMP C[C@@H](CCC(=O)N1CC[NH+](CCCCO)CC1)[NH+]1CCCCC1 ZINC000584888472 448665813 /nfs/dbraw/zinc/66/58/13/448665813.db2.gz GZUHKNXUAGCRPQ-KRWDZBQOSA-N 2 1 325.497 1.558 50 0 EDAAMP [NH3+]CCc1ccc(C[N@@H+]2CCCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000216017327 485713742 /nfs/dbraw/zinc/71/37/42/485713742.db2.gz LPEGVNWSGCIIDK-UHFFFAOYSA-N 2 1 329.366 1.784 50 0 EDAAMP [NH3+]CCc1ccc(C[N@H+]2CCCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000216017327 485713753 /nfs/dbraw/zinc/71/37/53/485713753.db2.gz LPEGVNWSGCIIDK-UHFFFAOYSA-N 2 1 329.366 1.784 50 0 EDAAMP CCc1[nH]nc(C(=O)NC[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000067784048 215210583 /nfs/dbraw/zinc/21/05/83/215210583.db2.gz GCOIZHIDCJSICW-AWEZNQCLSA-N 2 1 333.480 1.426 50 0 EDAAMP CCc1[nH]nc(C(=O)NC[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000067784048 215210585 /nfs/dbraw/zinc/21/05/85/215210585.db2.gz GCOIZHIDCJSICW-AWEZNQCLSA-N 2 1 333.480 1.426 50 0 EDAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000072420169 216209366 /nfs/dbraw/zinc/20/93/66/216209366.db2.gz WESFRNUYNYIPLK-WMLDXEAASA-N 2 1 343.431 1.255 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1cnccn1)CC[NH+](C)CC2 ZINC000072427828 216218870 /nfs/dbraw/zinc/21/88/70/216218870.db2.gz FESVBQYTOHKRLD-QGZVFWFLSA-N 2 1 345.491 1.332 50 0 EDAAMP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)CC1 ZINC000000048744 277114070 /nfs/dbraw/zinc/11/40/70/277114070.db2.gz IHECUJSMBXRJPI-UHFFFAOYSA-N 2 1 326.448 1.133 50 0 EDAAMP C1CCN(c2nc(N3CC[NH2+]CC3)nc(N3CCCCC3)[nH+]2)CC1 ZINC000004183375 440912252 /nfs/dbraw/zinc/91/22/52/440912252.db2.gz OURNSQBCMZOFSW-UHFFFAOYSA-N 2 1 331.468 1.262 50 0 EDAAMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047106284 441156255 /nfs/dbraw/zinc/15/62/55/441156255.db2.gz VVWPUOZZRVYSFL-DLBZAZTESA-N 2 1 329.448 1.540 50 0 EDAAMP COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)C[NH+](C)C)C1 ZINC000015061843 441194458 /nfs/dbraw/zinc/19/44/58/441194458.db2.gz UBXNVSFDBOLRKB-QGZVFWFLSA-N 2 1 347.503 1.970 50 0 EDAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CCCS2(=O)=O)cc1 ZINC000089519503 441558704 /nfs/dbraw/zinc/55/87/04/441558704.db2.gz FNTOAFIRFUAELE-CQSZACIVSA-N 2 1 348.472 1.867 50 0 EDAAMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)[C@H](C)C(N)=O)CC2)c1C ZINC000069377323 441924466 /nfs/dbraw/zinc/92/44/66/441924466.db2.gz FCSHBUNTQPXKJR-CQSZACIVSA-N 2 1 334.464 1.477 50 0 EDAAMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)[C@H](C)C(N)=O)CC2)c1C ZINC000069377323 441924470 /nfs/dbraw/zinc/92/44/70/441924470.db2.gz FCSHBUNTQPXKJR-CQSZACIVSA-N 2 1 334.464 1.477 50 0 EDAAMP Cc1cccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)[C@H](C)C2)[nH+]1 ZINC000096486750 442141438 /nfs/dbraw/zinc/14/14/38/442141438.db2.gz MNNFYVCZKVCRCE-HZPDHXFCSA-N 2 1 348.516 1.864 50 0 EDAAMP Cc1cccc(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)[C@H](C)C2)[nH+]1 ZINC000096486750 442141442 /nfs/dbraw/zinc/14/14/42/442141442.db2.gz MNNFYVCZKVCRCE-HZPDHXFCSA-N 2 1 348.516 1.864 50 0 EDAAMP CCNC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000097165820 442178758 /nfs/dbraw/zinc/17/87/58/442178758.db2.gz IVECRMZXKBLFQA-ZFWWWQNUSA-N 2 1 335.448 1.379 50 0 EDAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)c1 ZINC000097200774 442184971 /nfs/dbraw/zinc/18/49/71/442184971.db2.gz RHUATQNDHRSJJS-CQSZACIVSA-N 2 1 345.447 1.454 50 0 EDAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)c1 ZINC000097200774 442184972 /nfs/dbraw/zinc/18/49/72/442184972.db2.gz RHUATQNDHRSJJS-CQSZACIVSA-N 2 1 345.447 1.454 50 0 EDAAMP CCN1CC[NH+](C(C)(C)CNc2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000223430753 443089850 /nfs/dbraw/zinc/08/98/50/443089850.db2.gz ILCJLHSQJBZAMC-UHFFFAOYSA-N 2 1 347.511 1.092 50 0 EDAAMP COc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1OCC[NH3+] ZINC000426498345 447459347 /nfs/dbraw/zinc/45/93/47/447459347.db2.gz AJYUQPSMUIUJMF-HNNXBMFYSA-N 2 1 333.432 1.343 50 0 EDAAMP C[NH+]1CCC(O)(C(=O)NCC[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000670435474 486510572 /nfs/dbraw/zinc/51/05/72/486510572.db2.gz HWEDVCCPQFVYPR-QGZVFWFLSA-N 2 1 337.508 1.747 50 0 EDAAMP CCc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)nc1 ZINC000067965652 215262097 /nfs/dbraw/zinc/26/20/97/215262097.db2.gz JSCWHYDBCHOTIQ-INIZCTEOSA-N 2 1 330.476 1.854 50 0 EDAAMP c1csc(C[N@H+]2CCCN(c3ncnc4c3CC[NH2+]CC4)CC2)c1 ZINC000072458646 216243869 /nfs/dbraw/zinc/24/38/69/216243869.db2.gz NQJMMWZMAMDWSA-UHFFFAOYSA-N 2 1 343.500 1.939 50 0 EDAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccncc3)C2)CC1 ZINC000012306714 211341080 /nfs/dbraw/zinc/34/10/80/211341080.db2.gz HGDPLLOLGIWFAW-QGZVFWFLSA-N 2 1 330.476 1.547 50 0 EDAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccncc3)C2)CC1 ZINC000012306714 211341074 /nfs/dbraw/zinc/34/10/74/211341074.db2.gz HGDPLLOLGIWFAW-QGZVFWFLSA-N 2 1 330.476 1.547 50 0 EDAAMP Cc1ccc2ncccc2c1C[NH+]1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091997766 218101156 /nfs/dbraw/zinc/10/11/56/218101156.db2.gz SDKDTBFFQRVLKY-IAGOWNOFSA-N 2 1 343.471 1.508 50 0 EDAAMP Cc1ccc2ncccc2c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)CCO)C1 ZINC000091997766 218101159 /nfs/dbraw/zinc/10/11/59/218101159.db2.gz SDKDTBFFQRVLKY-IAGOWNOFSA-N 2 1 343.471 1.508 50 0 EDAAMP Cc1ccc2ncccc2c1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)CCO)C1 ZINC000091997766 218101162 /nfs/dbraw/zinc/10/11/62/218101162.db2.gz SDKDTBFFQRVLKY-IAGOWNOFSA-N 2 1 343.471 1.508 50 0 EDAAMP O=C1CC[C@H]2C[N@H+](C3CCOCC3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072448124 296330540 /nfs/dbraw/zinc/33/05/40/296330540.db2.gz CVKBFWSUBNSFAQ-FUHWJXTLSA-N 2 1 335.492 1.478 50 0 EDAAMP Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071762756 441152598 /nfs/dbraw/zinc/15/25/98/441152598.db2.gz VQNDXBBTWFNCFM-ZDUSSCGKSA-N 2 1 344.463 1.018 50 0 EDAAMP Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071762756 441152600 /nfs/dbraw/zinc/15/26/00/441152600.db2.gz VQNDXBBTWFNCFM-ZDUSSCGKSA-N 2 1 344.463 1.018 50 0 EDAAMP NC(=O)CC[N@H+](Cc1ccccc1)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063835052 441357778 /nfs/dbraw/zinc/35/77/78/441357778.db2.gz RJCMOOKPPZGQNW-UYAOXDASSA-N 2 1 345.487 1.743 50 0 EDAAMP NC(=O)CC[N@@H+](Cc1ccccc1)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063835052 441357781 /nfs/dbraw/zinc/35/77/81/441357781.db2.gz RJCMOOKPPZGQNW-UYAOXDASSA-N 2 1 345.487 1.743 50 0 EDAAMP NC(=O)CC[NH+](Cc1ccccc1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063835052 441357785 /nfs/dbraw/zinc/35/77/85/441357785.db2.gz RJCMOOKPPZGQNW-UYAOXDASSA-N 2 1 345.487 1.743 50 0 EDAAMP NC(=O)CC[NH+](Cc1ccccc1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063835052 441357788 /nfs/dbraw/zinc/35/77/88/441357788.db2.gz RJCMOOKPPZGQNW-UYAOXDASSA-N 2 1 345.487 1.743 50 0 EDAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)NC2CCCCC2)CC1 ZINC000075133418 441500579 /nfs/dbraw/zinc/50/05/79/441500579.db2.gz LIOZRZRSHJIZPF-MRXNPFEDSA-N 2 1 339.524 1.850 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000069663494 442006403 /nfs/dbraw/zinc/00/64/03/442006403.db2.gz SJTJMNBAVBNOJR-GUYCJALGSA-N 2 1 337.439 1.377 50 0 EDAAMP Cn1cc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[NH+](C)C)cn1 ZINC000096410713 442116719 /nfs/dbraw/zinc/11/67/19/442116719.db2.gz GCNRJQDFUBFIKW-NVXWUHKLSA-N 2 1 348.495 1.339 50 0 EDAAMP Cn1cc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[NH+](C)C)cn1 ZINC000096410713 442116721 /nfs/dbraw/zinc/11/67/21/442116721.db2.gz GCNRJQDFUBFIKW-NVXWUHKLSA-N 2 1 348.495 1.339 50 0 EDAAMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC000097096460 442166071 /nfs/dbraw/zinc/16/60/71/442166071.db2.gz GHZQVXSMTNCYTE-HKUYNNGSSA-N 2 1 331.460 1.518 50 0 EDAAMP COC[C@H](O)C[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000193057015 442708907 /nfs/dbraw/zinc/70/89/07/442708907.db2.gz LAMWRRUQSZALML-APWZRJJASA-N 2 1 333.476 1.995 50 0 EDAAMP CC1CC[NH+](C[C@H](O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000247091869 442835209 /nfs/dbraw/zinc/83/52/09/442835209.db2.gz HRKKVHIIJQASAQ-ZWKOTPCHSA-N 2 1 347.507 1.470 50 0 EDAAMP CC1CC[NH+](C[C@H](O)C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000247091869 442835215 /nfs/dbraw/zinc/83/52/15/442835215.db2.gz HRKKVHIIJQASAQ-ZWKOTPCHSA-N 2 1 347.507 1.470 50 0 EDAAMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000189238064 442903190 /nfs/dbraw/zinc/90/31/90/442903190.db2.gz QMWCQVWPRKHULO-RBUKOAKNSA-N 2 1 345.487 1.530 50 0 EDAAMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000253390348 443052111 /nfs/dbraw/zinc/05/21/11/443052111.db2.gz KQYOYFOYACFNHD-NZSAHSFTSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000253390348 443052114 /nfs/dbraw/zinc/05/21/14/443052114.db2.gz KQYOYFOYACFNHD-NZSAHSFTSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000253390348 443052117 /nfs/dbraw/zinc/05/21/17/443052117.db2.gz KQYOYFOYACFNHD-NZSAHSFTSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000237619195 443177260 /nfs/dbraw/zinc/17/72/60/443177260.db2.gz HCIIGLWYNCFEDX-RVKKMQEKSA-N 2 1 331.460 1.664 50 0 EDAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000237619195 443177265 /nfs/dbraw/zinc/17/72/65/443177265.db2.gz HCIIGLWYNCFEDX-RVKKMQEKSA-N 2 1 331.460 1.664 50 0 EDAAMP COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3([NH3+])CCC3)C2)c(C)c1 ZINC000067981961 215267171 /nfs/dbraw/zinc/26/71/71/215267171.db2.gz WGRWWLOMWPPOFV-HNNXBMFYSA-N 2 1 331.460 1.823 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)n[nH]1)CC[NH+](C)CC2 ZINC000072458244 216244292 /nfs/dbraw/zinc/24/42/92/216244292.db2.gz FIAMOILZMYWNLT-MRXNPFEDSA-N 2 1 333.480 1.531 50 0 EDAAMP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)[nH]n1)CC[NH+](C)CC2 ZINC000072458244 216244295 /nfs/dbraw/zinc/24/42/95/216244295.db2.gz FIAMOILZMYWNLT-MRXNPFEDSA-N 2 1 333.480 1.531 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)[nH]n1)CC[NH+](C)CC2 ZINC000072458244 216244298 /nfs/dbraw/zinc/24/42/98/216244298.db2.gz FIAMOILZMYWNLT-MRXNPFEDSA-N 2 1 333.480 1.531 50 0 EDAAMP OC[C@@H]1CCC[N@@H+]1Cc1cn(C2CC[NH+](C3CCCC3)CC2)nn1 ZINC000023159309 212356564 /nfs/dbraw/zinc/35/65/64/212356564.db2.gz VSAASMITFIEYMP-SFHVURJKSA-N 2 1 333.480 1.814 50 0 EDAAMP OC[C@@H]1CCC[N@H+]1Cc1cn(C2CC[NH+](C3CCCC3)CC2)nn1 ZINC000023159309 212356566 /nfs/dbraw/zinc/35/65/66/212356566.db2.gz VSAASMITFIEYMP-SFHVURJKSA-N 2 1 333.480 1.814 50 0 EDAAMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237615296 297013780 /nfs/dbraw/zinc/01/37/80/297013780.db2.gz BHHPAWUVLGQHMC-JZXOWHBKSA-N 2 1 337.508 1.866 50 0 EDAAMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COC[C@@H]1CCCO1 ZINC000006083775 440979714 /nfs/dbraw/zinc/97/97/14/440979714.db2.gz IYPOWFDNHMFMOJ-UXHICEINSA-N 2 1 348.487 1.797 50 0 EDAAMP CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CC[NH+](C(C)C)CC2)[nH]1 ZINC000071775589 441153898 /nfs/dbraw/zinc/15/38/98/441153898.db2.gz MFLFQPKXTZNUIQ-HOTGVXAUSA-N 2 1 347.507 1.478 50 0 EDAAMP C[N@@H+](CCNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000072274041 441215985 /nfs/dbraw/zinc/21/59/85/441215985.db2.gz UUOODDHUNVNQLF-MSOLQXFVSA-N 2 1 346.475 1.281 50 0 EDAAMP C[NH+](CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000072274041 441215989 /nfs/dbraw/zinc/21/59/89/441215989.db2.gz UUOODDHUNVNQLF-MSOLQXFVSA-N 2 1 346.475 1.281 50 0 EDAAMP C[NH+](CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000072274041 441215991 /nfs/dbraw/zinc/21/59/91/441215991.db2.gz UUOODDHUNVNQLF-MSOLQXFVSA-N 2 1 346.475 1.281 50 0 EDAAMP O=C([C@H]1C[NH2+]CCO1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000082087762 441331030 /nfs/dbraw/zinc/33/10/30/441331030.db2.gz UIRMUHRZQPARKL-GOSISDBHSA-N 2 1 329.444 1.024 50 0 EDAAMP C[N@@H+]1CCC[C@@H](CCNC(=O)C2([NH+]3CCOCC3)CCCCC2)C1 ZINC000067743605 441674999 /nfs/dbraw/zinc/67/49/99/441674999.db2.gz WDSXUWHSYSZKNF-KRWDZBQOSA-N 2 1 337.508 1.870 50 0 EDAAMP C[N@H+]1CCC[C@@H](CCNC(=O)C2([NH+]3CCOCC3)CCCCC2)C1 ZINC000067743605 441675003 /nfs/dbraw/zinc/67/50/03/441675003.db2.gz WDSXUWHSYSZKNF-KRWDZBQOSA-N 2 1 337.508 1.870 50 0 EDAAMP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000077542144 441802706 /nfs/dbraw/zinc/80/27/06/441802706.db2.gz LETNIEISAQXPHC-LJQANCHMSA-N 2 1 343.471 1.067 50 0 EDAAMP CCc1cc(N2CCC([NH2+]CCOc3nonc3C)CC2)nc(C)[nH+]1 ZINC000095502089 441939177 /nfs/dbraw/zinc/93/91/77/441939177.db2.gz NEAYGFBWAJVBEY-UHFFFAOYSA-N 2 1 346.435 1.676 50 0 EDAAMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000096407748 442115917 /nfs/dbraw/zinc/11/59/17/442115917.db2.gz ZZJUPGCPVMTALJ-IAGOWNOFSA-N 2 1 327.513 1.264 50 0 EDAAMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000096407748 442115920 /nfs/dbraw/zinc/11/59/20/442115920.db2.gz ZZJUPGCPVMTALJ-IAGOWNOFSA-N 2 1 327.513 1.264 50 0 EDAAMP Cc1cccc(NC[C@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)[nH+]1 ZINC000097200936 442184688 /nfs/dbraw/zinc/18/46/88/442184688.db2.gz BWESNIGRAAOEBH-CQSZACIVSA-N 2 1 345.447 1.454 50 0 EDAAMP Cc1cccc(NC[C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)[nH+]1 ZINC000097200936 442184691 /nfs/dbraw/zinc/18/46/91/442184691.db2.gz BWESNIGRAAOEBH-CQSZACIVSA-N 2 1 345.447 1.454 50 0 EDAAMP COCCOCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000267449570 443461547 /nfs/dbraw/zinc/46/15/47/443461547.db2.gz LQKQDTNNDGJXSH-UHFFFAOYSA-N 2 1 335.492 1.399 50 0 EDAAMP COCCOCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000267449570 443461552 /nfs/dbraw/zinc/46/15/52/443461552.db2.gz LQKQDTNNDGJXSH-UHFFFAOYSA-N 2 1 335.492 1.399 50 0 EDAAMP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000670466126 486557491 /nfs/dbraw/zinc/55/74/91/486557491.db2.gz XLGGCCIHMFRFHQ-SFHVURJKSA-N 2 1 331.460 1.490 50 0 EDAAMP CC[NH+]1CCC(CNc2cc(C3CC(O)C3)ncn2)([NH+](C)C)CC1 ZINC000219248198 535452513 /nfs/dbraw/zinc/45/25/13/535452513.db2.gz FBCGYYZHSSJDHP-UHFFFAOYSA-N 2 1 333.480 1.543 50 0 EDAAMP C[N@H+]1CCCN(C(=O)[C@H]2[C@@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@@H]32)CC1 ZINC000102587633 219211979 /nfs/dbraw/zinc/21/19/79/219211979.db2.gz BXEGTNMCLZETGQ-SWAOIJHYSA-N 2 1 329.488 1.541 50 0 EDAAMP C[NH+]1CCCN(C(=O)[C@H]2[C@@H]3C[N@@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@@H]32)CC1 ZINC000102587633 219211981 /nfs/dbraw/zinc/21/19/81/219211981.db2.gz BXEGTNMCLZETGQ-SWAOIJHYSA-N 2 1 329.488 1.541 50 0 EDAAMP C[NH+]1CCCN(C(=O)[C@H]2[C@@H]3C[N@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@@H]32)CC1 ZINC000102587633 219211984 /nfs/dbraw/zinc/21/19/84/219211984.db2.gz BXEGTNMCLZETGQ-SWAOIJHYSA-N 2 1 329.488 1.541 50 0 EDAAMP COCC(=O)N1CCC[N@@H+](CC2=CC[NH+]([C@H]3C=CCCC3)CC2)CC1 ZINC000067473251 215151511 /nfs/dbraw/zinc/15/15/11/215151511.db2.gz JNJVGJQCYBMDLG-IBGZPJMESA-N 2 1 347.503 1.908 50 0 EDAAMP COCC(=O)N1CCC[NH+](CC2=CC[N@@H+]([C@H]3C=CCCC3)CC2)CC1 ZINC000067473251 215151514 /nfs/dbraw/zinc/15/15/14/215151514.db2.gz JNJVGJQCYBMDLG-IBGZPJMESA-N 2 1 347.503 1.908 50 0 EDAAMP COCC(=O)N1CCC[NH+](CC2=CC[N@H+]([C@H]3C=CCCC3)CC2)CC1 ZINC000067473251 215151517 /nfs/dbraw/zinc/15/15/17/215151517.db2.gz JNJVGJQCYBMDLG-IBGZPJMESA-N 2 1 347.503 1.908 50 0 EDAAMP CC(C)([NH3+])C(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072133113 216022171 /nfs/dbraw/zinc/02/21/71/216022171.db2.gz VJSYVJZRMCCIFN-HNNXBMFYSA-N 2 1 348.466 1.676 50 0 EDAAMP Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)CC1 ZINC000072146214 216032695 /nfs/dbraw/zinc/03/26/95/216032695.db2.gz PTMOUCCXVXGZPR-KRWDZBQOSA-N 2 1 344.503 1.845 50 0 EDAAMP Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072422632 216211810 /nfs/dbraw/zinc/21/18/10/216211810.db2.gz NAKGJQMYFHGXQY-MRXNPFEDSA-N 2 1 346.523 1.732 50 0 EDAAMP Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072422632 216211812 /nfs/dbraw/zinc/21/18/12/216211812.db2.gz NAKGJQMYFHGXQY-MRXNPFEDSA-N 2 1 346.523 1.732 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1cccnc1)CC[NH+](C)CC2 ZINC000072476283 216254119 /nfs/dbraw/zinc/25/41/19/216254119.db2.gz MJZLOIJOKRFWLJ-GOSISDBHSA-N 2 1 344.503 1.937 50 0 EDAAMP C[NH+](C)C1(CNC(=O)C[N@@H+](C)Cc2ccc(F)cc2)CCOCC1 ZINC000244811830 243086694 /nfs/dbraw/zinc/08/66/94/243086694.db2.gz SLUVSVSNNXXEBL-UHFFFAOYSA-N 2 1 337.439 1.485 50 0 EDAAMP C[NH+](C)C1(CNC(=O)C[N@H+](C)Cc2ccc(F)cc2)CCOCC1 ZINC000244811830 243086697 /nfs/dbraw/zinc/08/66/97/243086697.db2.gz SLUVSVSNNXXEBL-UHFFFAOYSA-N 2 1 337.439 1.485 50 0 EDAAMP C[N@@H+](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Cc1ccccc1 ZINC000101386082 441155559 /nfs/dbraw/zinc/15/55/59/441155559.db2.gz NLLONOREDMOJFD-SFHVURJKSA-N 2 1 328.460 1.774 50 0 EDAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](C3CCCC3)CC2)C1)N1CCOCC1 ZINC000082127713 441335594 /nfs/dbraw/zinc/33/55/94/441335594.db2.gz BASDYCHIQBLOHY-QGZVFWFLSA-N 2 1 349.519 1.964 50 0 EDAAMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000065499369 441446700 /nfs/dbraw/zinc/44/67/00/441446700.db2.gz VVTVNNZCMSNXIU-QRVBRYPASA-N 2 1 343.471 1.630 50 0 EDAAMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065499369 441446702 /nfs/dbraw/zinc/44/67/02/441446702.db2.gz VVTVNNZCMSNXIU-QRVBRYPASA-N 2 1 343.471 1.630 50 0 EDAAMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000065499369 441446705 /nfs/dbraw/zinc/44/67/05/441446705.db2.gz VVTVNNZCMSNXIU-QRVBRYPASA-N 2 1 343.471 1.630 50 0 EDAAMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccn1 ZINC000108465411 441455540 /nfs/dbraw/zinc/45/55/40/441455540.db2.gz RALCXPZSEAUFMJ-DLBZAZTESA-N 2 1 346.475 1.578 50 0 EDAAMP CCCc1cc(N2CCC([NH2+][C@H](C)Cn3cncn3)CC2)nc(C)[nH+]1 ZINC000095504312 441940431 /nfs/dbraw/zinc/94/04/31/441940431.db2.gz RFIXBEVEYYWDGO-CQSZACIVSA-N 2 1 343.479 1.976 50 0 EDAAMP CCC[N@H+]1CC[C@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000225653443 443117801 /nfs/dbraw/zinc/11/78/01/443117801.db2.gz SDSISISPVHGUHM-MRXNPFEDSA-N 2 1 339.528 1.044 50 0 EDAAMP CCC[NH+]1CC[C@H](CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000225653443 443117805 /nfs/dbraw/zinc/11/78/05/443117805.db2.gz SDSISISPVHGUHM-MRXNPFEDSA-N 2 1 339.528 1.044 50 0 EDAAMP CCC[NH+]1CC[C@H](CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000225653443 443117809 /nfs/dbraw/zinc/11/78/09/443117809.db2.gz SDSISISPVHGUHM-MRXNPFEDSA-N 2 1 339.528 1.044 50 0 EDAAMP CN1CCC2(CC1)CN(C(=O)c1n[nH]c3ccccc31)CCC[N@H+]2C ZINC000067982889 215267528 /nfs/dbraw/zinc/26/75/28/215267528.db2.gz NXPPKBDFQVVXOT-UHFFFAOYSA-N 2 1 341.459 1.805 50 0 EDAAMP CN1CCCN(C(=O)c2n[nH]c3ccccc32)CC12CC[NH+](C)CC2 ZINC000067982889 215267529 /nfs/dbraw/zinc/26/75/29/215267529.db2.gz NXPPKBDFQVVXOT-UHFFFAOYSA-N 2 1 341.459 1.805 50 0 EDAAMP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000039454933 213235466 /nfs/dbraw/zinc/23/54/66/213235466.db2.gz UHTPUKZQZTTWQS-HXUWFJFHSA-N 2 1 331.504 1.958 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1cc(C)no1)CC[NH+](C)CC2 ZINC000072447894 216237834 /nfs/dbraw/zinc/23/78/34/216237834.db2.gz MQFLBUUQTBCYBX-INIZCTEOSA-N 2 1 334.464 1.796 50 0 EDAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](C3CCOCC3)CC2)n1C ZINC000091849004 218076897 /nfs/dbraw/zinc/07/68/97/218076897.db2.gz QGIVYQXHKUXVQP-UHFFFAOYSA-N 2 1 344.463 1.727 50 0 EDAAMP c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CN2 ZINC000058326301 441179872 /nfs/dbraw/zinc/17/98/72/441179872.db2.gz SCXRBBHRVXEBMD-INIZCTEOSA-N 2 1 341.459 1.547 50 0 EDAAMP C[N@@H+](CCNc1cc(N2CCC[C@H]2CO)ncn1)Cc1ccccc1 ZINC000106905940 441386540 /nfs/dbraw/zinc/38/65/40/441386540.db2.gz PGGQZOAODFGIJL-KRWDZBQOSA-N 2 1 341.459 1.982 50 0 EDAAMP Cc1ccc(C[N@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@H]2CCO)cc1 ZINC000106948637 441393212 /nfs/dbraw/zinc/39/32/12/441393212.db2.gz ORGGSXJUUGUWBB-QGZVFWFLSA-N 2 1 341.459 1.749 50 0 EDAAMP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237593363 443176561 /nfs/dbraw/zinc/17/65/61/443176561.db2.gz IHZBXAPVQMBAMU-FUHWJXTLSA-N 2 1 330.476 1.142 50 0 EDAAMP COc1ccc([C@@H]([NH3+])CC(=O)NCCn2c[nH+]c(C)c2C)cc1OC ZINC000534591937 448456226 /nfs/dbraw/zinc/45/62/26/448456226.db2.gz JEWRZIPXZYGQKV-HNNXBMFYSA-N 2 1 346.431 1.723 50 0 EDAAMP CC(C)(CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCCCC1 ZINC000189595134 527129926 /nfs/dbraw/zinc/12/99/26/527129926.db2.gz YOKCNGLCCJMGFQ-UHFFFAOYSA-N 2 1 326.485 1.272 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCCn1ccnc1)CC[NH+](C)CC2 ZINC000072423821 216213944 /nfs/dbraw/zinc/21/39/44/216213944.db2.gz LGJPWTXYTMMCAN-KRWDZBQOSA-N 2 1 347.507 1.586 50 0 EDAAMP Cc1[nH+]ccn1CCCn1ncc(N2CCC(C[NH3+])CC2)cc1=O ZINC000095379269 218310986 /nfs/dbraw/zinc/31/09/86/218310986.db2.gz HEMICTDXZOTIMO-UHFFFAOYSA-N 2 1 330.436 1.014 50 0 EDAAMP O=C(NCCC[NH+]1CCOCC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095380503 218312420 /nfs/dbraw/zinc/31/24/20/218312420.db2.gz JOTWFNJHAAHKNX-SFHVURJKSA-N 2 1 331.460 1.606 50 0 EDAAMP C[NH+]1CCN(c2ncc(C[NH2+]CCOc3cccc(F)c3)cn2)CC1 ZINC000095416636 218356185 /nfs/dbraw/zinc/35/61/85/218356185.db2.gz XDEIQSFORPCQJZ-UHFFFAOYSA-N 2 1 345.422 1.536 50 0 EDAAMP C[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1)[N@@H+](C)C1CC1 ZINC000408474229 158371658 /nfs/dbraw/zinc/37/16/58/158371658.db2.gz LLDLZASJXHKBIJ-DVOMOZLQSA-N 2 1 335.452 1.422 50 0 EDAAMP CO[C@H]1CCCCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095416701 277335162 /nfs/dbraw/zinc/33/51/62/277335162.db2.gz PSQUBRRCKPDNPH-SJORKVTESA-N 2 1 333.480 1.666 50 0 EDAAMP C[NH+](C)CC(=O)Nc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000067697373 282059728 /nfs/dbraw/zinc/05/97/28/282059728.db2.gz QBTANZRSQMMUBS-IBGZPJMESA-N 2 1 344.459 1.402 50 0 EDAAMP C[NH+](C)Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)N2CC[NH2+]CC2)cc1 ZINC000072143310 289224752 /nfs/dbraw/zinc/22/47/52/289224752.db2.gz LAZRPNCGNMNRQR-LJQANCHMSA-N 3 1 344.503 1.707 50 0 EDAAMP C[NH+](C)Cc1ccc([C@H]2CCCCN2CC(=O)N2CC[NH2+]CC2)cc1 ZINC000072143310 289224753 /nfs/dbraw/zinc/22/47/53/289224753.db2.gz LAZRPNCGNMNRQR-LJQANCHMSA-N 2 1 344.503 1.707 50 0 EDAAMP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000333543329 304537285 /nfs/dbraw/zinc/53/72/85/304537285.db2.gz JLVTZMOHFQZPRX-IBGZPJMESA-N 2 1 336.439 1.557 50 0 EDAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc(C)cn2)CC1 ZINC000070006306 441102315 /nfs/dbraw/zinc/10/23/15/441102315.db2.gz YBHASZSJIGXHTD-KRWDZBQOSA-N 2 1 333.480 1.256 50 0 EDAAMP CCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000069929778 441091707 /nfs/dbraw/zinc/09/17/07/441091707.db2.gz AXXPMVXAWAHNBO-SJORKVTESA-N 2 1 343.475 1.238 50 0 EDAAMP CCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000069929778 441091713 /nfs/dbraw/zinc/09/17/13/441091713.db2.gz AXXPMVXAWAHNBO-SJORKVTESA-N 2 1 343.475 1.238 50 0 EDAAMP CCCc1nc(C)cc(N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)n1 ZINC000107413139 441415577 /nfs/dbraw/zinc/41/55/77/441415577.db2.gz JTFLLCOIXPEPCG-GOSISDBHSA-N 2 1 331.464 1.528 50 0 EDAAMP Cc1cc(C(F)(F)F)cc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)[nH+]1 ZINC000091288953 441693014 /nfs/dbraw/zinc/69/30/14/441693014.db2.gz GVFLROJILZULTJ-CHWSQXEVSA-N 2 1 347.381 1.378 50 0 EDAAMP Cc1cc(C(F)(F)F)cc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)[nH+]1 ZINC000091288953 441693015 /nfs/dbraw/zinc/69/30/15/441693015.db2.gz GVFLROJILZULTJ-CHWSQXEVSA-N 2 1 347.381 1.378 50 0 EDAAMP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077485380 441789882 /nfs/dbraw/zinc/78/98/82/441789882.db2.gz IUKZFLAOYPPSFC-IBGZPJMESA-N 2 1 345.487 1.532 50 0 EDAAMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000095996703 441974558 /nfs/dbraw/zinc/97/45/58/441974558.db2.gz MECDISKPZDGMFA-QGZVFWFLSA-N 2 1 336.505 1.445 50 0 EDAAMP Nc1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc2ccccc12 ZINC000069509834 441957140 /nfs/dbraw/zinc/95/71/40/441957140.db2.gz AFHOTNQZZMENKC-UHFFFAOYSA-N 2 1 341.459 1.756 50 0 EDAAMP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000096420833 442121699 /nfs/dbraw/zinc/12/16/99/442121699.db2.gz CJNOOEHZAOLPJT-QZTJIDSGSA-N 2 1 331.460 1.298 50 0 EDAAMP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000096420833 442121703 /nfs/dbraw/zinc/12/17/03/442121703.db2.gz CJNOOEHZAOLPJT-QZTJIDSGSA-N 2 1 331.460 1.298 50 0 EDAAMP CCC[NH+]1CCC([N@@H+]2C[C@@H](CO)[C@H](c3nc(COC)no3)C2)CC1 ZINC000253415072 443061150 /nfs/dbraw/zinc/06/11/50/443061150.db2.gz ZNICXDUVKSZCGK-DZGCQCFKSA-N 2 1 338.452 1.098 50 0 EDAAMP CCC[NH+]1CCC([N@H+]2C[C@@H](CO)[C@H](c3nc(COC)no3)C2)CC1 ZINC000253415072 443061154 /nfs/dbraw/zinc/06/11/54/443061154.db2.gz ZNICXDUVKSZCGK-DZGCQCFKSA-N 2 1 338.452 1.098 50 0 EDAAMP Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000229515161 443128045 /nfs/dbraw/zinc/12/80/45/443128045.db2.gz SBEPHVHEECAHFG-ROUUACIJSA-N 2 1 335.496 1.452 50 0 EDAAMP Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000229515161 443128049 /nfs/dbraw/zinc/12/80/49/443128049.db2.gz SBEPHVHEECAHFG-ROUUACIJSA-N 2 1 335.496 1.452 50 0 EDAAMP [NH3+][C@@H]1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)C1 ZINC000299804062 444138352 /nfs/dbraw/zinc/13/83/52/444138352.db2.gz WAOCHSMILVVXTD-CQSZACIVSA-N 2 1 325.416 1.278 50 0 EDAAMP C[NH+]1CCN(C2(CNC(=O)[C@H]3CC34CC[NH2+]CC4)CCCC2)CC1 ZINC000534644221 448460730 /nfs/dbraw/zinc/46/07/30/448460730.db2.gz QGJFJPSIPRZAIH-MRXNPFEDSA-N 2 1 334.508 1.053 50 0 EDAAMP CC(C)C[N@@H+]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C[C@H]1CCO ZINC000584901372 448672085 /nfs/dbraw/zinc/67/20/85/448672085.db2.gz ASUJARPDJHHYDO-LJQANCHMSA-N 2 1 347.503 1.670 50 0 EDAAMP CC(C)C[N@H+]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C[C@H]1CCO ZINC000584901372 448672087 /nfs/dbraw/zinc/67/20/87/448672087.db2.gz ASUJARPDJHHYDO-LJQANCHMSA-N 2 1 347.503 1.670 50 0 EDAAMP CC(C)C[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1CCO ZINC000584901372 448672093 /nfs/dbraw/zinc/67/20/93/448672093.db2.gz ASUJARPDJHHYDO-LJQANCHMSA-N 2 1 347.503 1.670 50 0 EDAAMP CC(C)C[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1CCO ZINC000584901372 448672096 /nfs/dbraw/zinc/67/20/96/448672096.db2.gz ASUJARPDJHHYDO-LJQANCHMSA-N 2 1 347.503 1.670 50 0 EDAAMP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000215293039 241117873 /nfs/dbraw/zinc/11/78/73/241117873.db2.gz DHNPMRJGXVRDME-OYRHEFFESA-N 3 1 342.531 1.702 50 0 EDAAMP C[N@H+]1[C@@H]2CC[C@H]1CCN(CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000244718994 243066657 /nfs/dbraw/zinc/06/66/57/243066657.db2.gz LUSVJPBDGNYENW-AZUAARDMSA-N 2 1 328.504 1.977 50 0 EDAAMP C[N@@H+]1[C@@H]2CC[C@H]1CCN(CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000244718994 243066661 /nfs/dbraw/zinc/06/66/61/243066661.db2.gz LUSVJPBDGNYENW-AZUAARDMSA-N 2 1 328.504 1.977 50 0 EDAAMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000011819365 211252506 /nfs/dbraw/zinc/25/25/06/211252506.db2.gz CFBDIXVBIAXQNA-INIZCTEOSA-N 2 1 333.480 1.114 50 0 EDAAMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000011819365 211252511 /nfs/dbraw/zinc/25/25/11/211252511.db2.gz CFBDIXVBIAXQNA-INIZCTEOSA-N 2 1 333.480 1.114 50 0 EDAAMP Cc1cc(-n2cccn2)ccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000092107788 218121277 /nfs/dbraw/zinc/12/12/77/218121277.db2.gz RRGZTWFXLIBDGY-QZTJIDSGSA-N 2 1 328.460 1.783 50 0 EDAAMP C[C@@H](CC[NH+]1CCCC1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400526 218334551 /nfs/dbraw/zinc/33/45/51/218334551.db2.gz YAYRMASEPJERDX-HKUYNNGSSA-N 2 1 345.487 1.878 50 0 EDAAMP C[C@@H](CC[NH+]1CCCC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400526 218334554 /nfs/dbraw/zinc/33/45/54/218334554.db2.gz YAYRMASEPJERDX-HKUYNNGSSA-N 2 1 345.487 1.878 50 0 EDAAMP CCNc1cc[nH+]c(N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000065436016 276271429 /nfs/dbraw/zinc/27/14/29/276271429.db2.gz ORPJLUHIOPADQF-OAHLLOKOSA-N 2 1 332.496 1.761 50 0 EDAAMP Cc1ccccc1[C@@H](C(=O)NCC[NH+]1CCC(CO)CC1)[NH+](C)C ZINC000095510140 302114054 /nfs/dbraw/zinc/11/40/54/302114054.db2.gz GQDCZMOCOPWOSC-SFHVURJKSA-N 2 1 333.476 1.418 50 0 EDAAMP Cc1ccc(-c2cccc(C(=O)N3CCO[C@@H](CC[NH3+])C3)c2)c(N)[nH+]1 ZINC000426388429 447431237 /nfs/dbraw/zinc/43/12/37/447431237.db2.gz QRMAJYJZROOHMH-INIZCTEOSA-N 2 1 340.427 1.829 50 0 EDAAMP Nc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc[nH+]1 ZINC000071763166 441152516 /nfs/dbraw/zinc/15/25/16/441152516.db2.gz ZZCPKHAWXHOAQY-ZDUSSCGKSA-N 2 1 344.463 1.018 50 0 EDAAMP Nc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc[nH+]1 ZINC000071763166 441152521 /nfs/dbraw/zinc/15/25/21/441152521.db2.gz ZZCPKHAWXHOAQY-ZDUSSCGKSA-N 2 1 344.463 1.018 50 0 EDAAMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058421097 441193591 /nfs/dbraw/zinc/19/35/91/441193591.db2.gz YNMSWBZYQPXGMC-HNNXBMFYSA-N 2 1 333.480 1.139 50 0 EDAAMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000058421097 441193595 /nfs/dbraw/zinc/19/35/95/441193595.db2.gz YNMSWBZYQPXGMC-HNNXBMFYSA-N 2 1 333.480 1.139 50 0 EDAAMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000107583621 441420409 /nfs/dbraw/zinc/42/04/09/441420409.db2.gz YTZQMZRBNZMZOW-YYWYGQEZSA-N 2 1 332.492 1.739 50 0 EDAAMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000107583621 441420412 /nfs/dbraw/zinc/42/04/12/441420412.db2.gz YTZQMZRBNZMZOW-YYWYGQEZSA-N 2 1 332.492 1.739 50 0 EDAAMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000107583621 441420414 /nfs/dbraw/zinc/42/04/14/441420414.db2.gz YTZQMZRBNZMZOW-YYWYGQEZSA-N 2 1 332.492 1.739 50 0 EDAAMP Cn1c2ccccc2nc1C1CC[NH+](C[C@]2(O)C[NH2+]CCOC2)CC1 ZINC000077286688 441748058 /nfs/dbraw/zinc/74/80/58/441748058.db2.gz GYYYDNBEMKFDAV-LJQANCHMSA-N 2 1 344.459 1.104 50 0 EDAAMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000069535446 441969114 /nfs/dbraw/zinc/96/91/14/441969114.db2.gz OMAGLHHFYLQYPG-SFHVURJKSA-N 2 1 337.508 1.823 50 0 EDAAMP Cc1ccc(CNC(=O)C[N@@H+](C)CC2CC[NH+](CCO)CC2)s1 ZINC000069927501 442078489 /nfs/dbraw/zinc/07/84/89/442078489.db2.gz VZAUQBKQUZTLEB-UHFFFAOYSA-N 2 1 339.505 1.309 50 0 EDAAMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000188546195 442761958 /nfs/dbraw/zinc/76/19/58/442761958.db2.gz RZTOWHCIKDTMIV-OAHLLOKOSA-N 2 1 340.512 1.347 50 0 EDAAMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000188546195 442761960 /nfs/dbraw/zinc/76/19/60/442761960.db2.gz RZTOWHCIKDTMIV-OAHLLOKOSA-N 2 1 340.512 1.347 50 0 EDAAMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000188546195 442761963 /nfs/dbraw/zinc/76/19/63/442761963.db2.gz RZTOWHCIKDTMIV-OAHLLOKOSA-N 2 1 340.512 1.347 50 0 EDAAMP c1nc(N2CC[NH+]3CCC[C@H]3C2)cc(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000249293488 442964906 /nfs/dbraw/zinc/96/49/06/442964906.db2.gz LQVNAFFKDGYLOA-HOTGVXAUSA-N 2 1 328.464 1.045 50 0 EDAAMP C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000252511304 443038089 /nfs/dbraw/zinc/03/80/89/443038089.db2.gz ZXLUXTARBJKQGA-OAHLLOKOSA-N 2 1 341.544 1.288 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237517677 443175349 /nfs/dbraw/zinc/17/53/49/443175349.db2.gz KMSXDSNQHMHWJI-NJAFHUGGSA-N 2 1 346.475 1.177 50 0 EDAAMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662787623 453522615 /nfs/dbraw/zinc/52/26/15/453522615.db2.gz DPFNLUWNQSPIDG-CQSZACIVSA-N 2 1 333.480 1.823 50 0 EDAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[N@H+](C)[C@@H](C)C3)cnn2c1 ZINC000067966860 215262103 /nfs/dbraw/zinc/26/21/03/215262103.db2.gz UYHUZSNTRDEHAA-AWEZNQCLSA-N 2 1 344.463 1.347 50 0 EDAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)cnn2c1 ZINC000067966860 215262105 /nfs/dbraw/zinc/26/21/05/215262105.db2.gz UYHUZSNTRDEHAA-AWEZNQCLSA-N 2 1 344.463 1.347 50 0 EDAAMP C[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072135266 216023736 /nfs/dbraw/zinc/02/37/36/216023736.db2.gz GMEYPLRQIMKMLX-HNNXBMFYSA-N 2 1 334.439 1.158 50 0 EDAAMP CN(Cc1cccnc1Cl)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072417900 216206877 /nfs/dbraw/zinc/20/68/77/216206877.db2.gz ULINXGIJDUYWGF-AWEZNQCLSA-N 2 1 336.867 1.767 50 0 EDAAMP Cc1[nH+]ccn1CC1CCN(c2nc(N)nc3c2CC[NH2+]CC3)CC1 ZINC000072422705 216212446 /nfs/dbraw/zinc/21/24/46/216212446.db2.gz PDARXKSIJNNPLC-UHFFFAOYSA-N 2 1 341.463 1.169 50 0 EDAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cnc[nH]1)C2 ZINC000072473520 216250637 /nfs/dbraw/zinc/25/06/37/216250637.db2.gz QOMUVWASDJKYNW-QRQLOZEOSA-N 2 1 348.491 1.749 50 0 EDAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1c[nH]cn1)C2 ZINC000072473520 216250640 /nfs/dbraw/zinc/25/06/40/216250640.db2.gz QOMUVWASDJKYNW-QRQLOZEOSA-N 2 1 348.491 1.749 50 0 EDAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1c[nH]cn1)C2 ZINC000072473520 216250643 /nfs/dbraw/zinc/25/06/43/216250643.db2.gz QOMUVWASDJKYNW-QRQLOZEOSA-N 2 1 348.491 1.749 50 0 EDAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1C ZINC000095384866 218317074 /nfs/dbraw/zinc/31/70/74/218317074.db2.gz VVTFEYMOEJEJCW-HNNXBMFYSA-N 2 1 344.463 1.727 50 0 EDAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](C3CCOCC3)C2)n1C ZINC000095384866 218317077 /nfs/dbraw/zinc/31/70/77/218317077.db2.gz VVTFEYMOEJEJCW-HNNXBMFYSA-N 2 1 344.463 1.727 50 0 EDAAMP CCCn1ncc(C[N@H+]2CCC[C@H](Cn3cc(C[NH3+])nn3)C2)c1C ZINC000082039530 441329873 /nfs/dbraw/zinc/32/98/73/441329873.db2.gz AHPYOZBBDJFTRO-HNNXBMFYSA-N 2 1 331.468 1.564 50 0 EDAAMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccc(OC)cc3)C2)CC1 ZINC000089977314 441608707 /nfs/dbraw/zinc/60/87/07/441608707.db2.gz BEOCGFZMRIBWNL-KRWDZBQOSA-N 2 1 333.476 1.786 50 0 EDAAMP CCCc1nc(N2CCC([NH2+]C[C@H]3COCCO3)CC2)cc(C)[nH+]1 ZINC000095508118 441943007 /nfs/dbraw/zinc/94/30/07/441943007.db2.gz VBVDOFGJPVSKRX-INIZCTEOSA-N 2 1 334.464 1.711 50 0 EDAAMP C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000192625810 442669945 /nfs/dbraw/zinc/66/99/45/442669945.db2.gz MLHMZQKDNYIOQJ-MRXNPFEDSA-N 2 1 337.489 1.405 50 0 EDAAMP CC(C)COCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000252492292 443032608 /nfs/dbraw/zinc/03/26/08/443032608.db2.gz MHLQGHNNQGLKMU-UHFFFAOYSA-N 2 1 349.479 1.108 50 0 EDAAMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000222203713 443075906 /nfs/dbraw/zinc/07/59/06/443075906.db2.gz GZIIVDPIPMVEGX-ZACQAIPSSA-N 2 1 338.496 1.223 50 0 EDAAMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000222203713 443075910 /nfs/dbraw/zinc/07/59/10/443075910.db2.gz GZIIVDPIPMVEGX-ZACQAIPSSA-N 2 1 338.496 1.223 50 0 EDAAMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000222203713 443075915 /nfs/dbraw/zinc/07/59/15/443075915.db2.gz GZIIVDPIPMVEGX-ZACQAIPSSA-N 2 1 338.496 1.223 50 0 EDAAMP Cc1[nH+]ccn1CC1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000222831334 443082696 /nfs/dbraw/zinc/08/26/96/443082696.db2.gz DPIDLJZVAULPNP-UHFFFAOYSA-N 2 1 341.463 1.685 50 0 EDAAMP CCCC[NH+]1CCN(C(=O)c2nn(CC3CC3)c3c2C[NH2+]CC3)CC1 ZINC000257197023 443123326 /nfs/dbraw/zinc/12/33/26/443123326.db2.gz ZHSWVGTVHZLWJY-UHFFFAOYSA-N 2 1 345.491 1.497 50 0 EDAAMP C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H]1C[NH3+] ZINC000237432388 443171307 /nfs/dbraw/zinc/17/13/07/443171307.db2.gz ZFGWXWBHSIPTSK-APWZRJJASA-N 2 1 344.503 1.633 50 0 EDAAMP COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878137409 597581064 /nfs/dbraw/zinc/58/10/64/597581064.db2.gz URUGODXHJHEIRZ-OAHLLOKOSA-N 2 1 333.476 1.768 50 0 EDAAMP CN(CC[NH+](C)C)C[C@@H]1C[N@H+](C2Cc3ccccc3C2)C[C@@H]1CO ZINC000091551303 218021124 /nfs/dbraw/zinc/02/11/24/218021124.db2.gz OFHYENMUGJYDSP-RTBURBONSA-N 2 1 331.504 1.188 50 0 EDAAMP Cc1nc[nH]c1C[NH+]1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000095373228 218305181 /nfs/dbraw/zinc/30/51/81/218305181.db2.gz GARXECAQSUSXFG-MRXNPFEDSA-N 2 1 345.491 1.627 50 0 EDAAMP Cc1cc(N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c2ccccc2[nH+]1 ZINC000299784494 258091673 /nfs/dbraw/zinc/09/16/73/258091673.db2.gz TXHBMTQERBTBQT-SJLPKXTDSA-N 2 1 342.443 1.479 50 0 EDAAMP Cc1cc(N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c2ccccc2[nH+]1 ZINC000299784494 258091675 /nfs/dbraw/zinc/09/16/75/258091675.db2.gz TXHBMTQERBTBQT-SJLPKXTDSA-N 2 1 342.443 1.479 50 0 EDAAMP CC[NH+]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000355582322 150323824 /nfs/dbraw/zinc/32/38/24/150323824.db2.gz LARMCIGDSFBZCZ-LJQANCHMSA-N 2 1 344.503 1.357 50 0 EDAAMP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069951315 441095605 /nfs/dbraw/zinc/09/56/05/441095605.db2.gz KWZPXNSJHBBATG-RDJZCZTQSA-N 2 1 325.497 1.317 50 0 EDAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3cscn3)C2)CC1 ZINC000071736507 441149986 /nfs/dbraw/zinc/14/99/86/441149986.db2.gz RQWLUXCMJGDPJY-CQSZACIVSA-N 2 1 336.505 1.608 50 0 EDAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3cscn3)C2)CC1 ZINC000071736507 441149992 /nfs/dbraw/zinc/14/99/92/441149992.db2.gz RQWLUXCMJGDPJY-CQSZACIVSA-N 2 1 336.505 1.608 50 0 EDAAMP Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071762757 441152612 /nfs/dbraw/zinc/15/26/12/441152612.db2.gz VQNDXBBTWFNCFM-CYBMUJFWSA-N 2 1 344.463 1.018 50 0 EDAAMP Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071762757 441152613 /nfs/dbraw/zinc/15/26/13/441152613.db2.gz VQNDXBBTWFNCFM-CYBMUJFWSA-N 2 1 344.463 1.018 50 0 EDAAMP CCC[NH+](CCC)[C@@H](C)C(=O)N1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067834025 441684719 /nfs/dbraw/zinc/68/47/19/441684719.db2.gz MBBVKZRPSNCBJO-KRWDZBQOSA-N 2 1 338.540 1.735 50 0 EDAAMP CCC[NH+](CCC)[C@@H](C)C(=O)N1CCC2(CC1)CN(C)CC[N@@H+]2C ZINC000067834025 441684725 /nfs/dbraw/zinc/68/47/25/441684725.db2.gz MBBVKZRPSNCBJO-KRWDZBQOSA-N 2 1 338.540 1.735 50 0 EDAAMP CCC[NH+](CCC)[C@@H](C)C(=O)N1CCC2(CC1)CN(C)CC[N@H+]2C ZINC000067834025 441684729 /nfs/dbraw/zinc/68/47/29/441684729.db2.gz MBBVKZRPSNCBJO-KRWDZBQOSA-N 2 1 338.540 1.735 50 0 EDAAMP CC[NH+](CC)CC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000069451986 441939457 /nfs/dbraw/zinc/93/94/57/441939457.db2.gz DANCRSRRKURWOT-UHFFFAOYSA-N 2 1 333.480 1.862 50 0 EDAAMP CN(C)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069510431 441958641 /nfs/dbraw/zinc/95/86/41/441958641.db2.gz PLNRKBIBYOYLJX-SFHVURJKSA-N 2 1 333.476 1.452 50 0 EDAAMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000078914586 441993089 /nfs/dbraw/zinc/99/30/89/441993089.db2.gz QYOFROINLQLLAT-SFHVURJKSA-N 2 1 336.524 1.347 50 0 EDAAMP CC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)n(C)c1 ZINC000215427176 534817834 /nfs/dbraw/zinc/81/78/34/534817834.db2.gz MXCYIZSNUSGDLG-UHFFFAOYSA-N 2 1 332.492 1.687 50 0 EDAAMP C[C@@H](C(=O)Nc1ccc(F)cc1)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000243914678 243031660 /nfs/dbraw/zinc/03/16/60/243031660.db2.gz BJICJTSDDSHLHQ-HNNXBMFYSA-N 2 1 348.466 1.912 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCc2cccs2)CC1 ZINC000069901460 203061664 /nfs/dbraw/zinc/06/16/64/203061664.db2.gz CUNSOSLTXHGTLT-AWEZNQCLSA-N 2 1 339.505 1.389 50 0 EDAAMP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000072146259 203168967 /nfs/dbraw/zinc/16/89/67/203168967.db2.gz FXNRRZBCORGLAR-OAHLLOKOSA-N 2 1 347.507 1.777 50 0 EDAAMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000072146259 203168970 /nfs/dbraw/zinc/16/89/70/203168970.db2.gz FXNRRZBCORGLAR-OAHLLOKOSA-N 2 1 347.507 1.777 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCc1noc(C)n1)CC[NH+](C)CC2 ZINC000072435928 203224755 /nfs/dbraw/zinc/22/47/55/203224755.db2.gz ZEVPDGQPIUTIEB-HNNXBMFYSA-N 2 1 349.479 1.233 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)no1)CC[NH+](C)CC2 ZINC000072447893 203225974 /nfs/dbraw/zinc/22/59/74/203225974.db2.gz MQFLBUUQTBCYBX-MRXNPFEDSA-N 2 1 334.464 1.796 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072430665 203222257 /nfs/dbraw/zinc/22/22/57/203222257.db2.gz IYFBKSWPRUUNRT-QGZVFWFLSA-N 2 1 347.507 1.575 50 0 EDAAMP COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000004746146 440927031 /nfs/dbraw/zinc/92/70/31/440927031.db2.gz HEPKHPHLTVGJQL-KRWDZBQOSA-N 2 1 331.460 1.681 50 0 EDAAMP COc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000004746146 440927036 /nfs/dbraw/zinc/92/70/36/440927036.db2.gz HEPKHPHLTVGJQL-KRWDZBQOSA-N 2 1 331.460 1.681 50 0 EDAAMP C[NH+](C)CCOC1CCN(C(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000097527981 441140352 /nfs/dbraw/zinc/14/03/52/441140352.db2.gz ZCAYXTKUBSHKOI-LJQANCHMSA-N 2 1 345.487 1.612 50 0 EDAAMP C[NH+](C)CCOC1CCN(C(=O)[C@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000097527981 441140355 /nfs/dbraw/zinc/14/03/55/441140355.db2.gz ZCAYXTKUBSHKOI-LJQANCHMSA-N 2 1 345.487 1.612 50 0 EDAAMP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781217 441370153 /nfs/dbraw/zinc/37/01/53/441370153.db2.gz LOJFWGYZHALMSJ-WMZOPIPTSA-N 2 1 339.524 1.802 50 0 EDAAMP CCCC[N@@H+](C)CC1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000052210035 441440454 /nfs/dbraw/zinc/44/04/54/441440454.db2.gz BBZHLNFLVZVWMM-UHFFFAOYSA-N 2 1 345.491 1.940 50 0 EDAAMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000089938746 441600774 /nfs/dbraw/zinc/60/07/74/441600774.db2.gz VWYVYUAIVIBZNU-OAHLLOKOSA-N 2 1 328.460 1.979 50 0 EDAAMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000089938746 441600777 /nfs/dbraw/zinc/60/07/77/441600777.db2.gz VWYVYUAIVIBZNU-OAHLLOKOSA-N 2 1 328.460 1.979 50 0 EDAAMP [NH3+]C1(C(=O)NCC[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)CCC1 ZINC000067946388 441699788 /nfs/dbraw/zinc/69/97/88/441699788.db2.gz GRMLYOJHIOWCPI-HNNXBMFYSA-N 2 1 331.460 1.992 50 0 EDAAMP C[NH2+]CC(=O)N1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000091656793 441727250 /nfs/dbraw/zinc/72/72/50/441727250.db2.gz FHCODTOMBSHWLZ-UHFFFAOYSA-N 2 1 348.495 1.117 50 0 EDAAMP CN1CC[NH+](CCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095368255 441914030 /nfs/dbraw/zinc/91/40/30/441914030.db2.gz KVYMPVDSYVKAMB-IBGZPJMESA-N 2 1 344.503 1.521 50 0 EDAAMP O=C(CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000095369657 441914183 /nfs/dbraw/zinc/91/41/83/441914183.db2.gz UEEPXLDQPHRWDC-RBUKOAKNSA-N 2 1 342.487 1.015 50 0 EDAAMP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](CCn2cccc2)CC1 ZINC000095378060 441914907 /nfs/dbraw/zinc/91/49/07/441914907.db2.gz HFFLZYSQECWWGS-GOSISDBHSA-N 2 1 332.492 1.897 50 0 EDAAMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](CCn2cccc2)CC1 ZINC000095378060 441914913 /nfs/dbraw/zinc/91/49/13/441914913.db2.gz HFFLZYSQECWWGS-GOSISDBHSA-N 2 1 332.492 1.897 50 0 EDAAMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000096436390 442129857 /nfs/dbraw/zinc/12/98/57/442129857.db2.gz FBXRACCNJCCJQQ-SJLPKXTDSA-N 2 1 337.508 1.913 50 0 EDAAMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2F)CC1 ZINC000178551922 442443193 /nfs/dbraw/zinc/44/31/93/442443193.db2.gz OKSOQOGJQKSBJP-AWEZNQCLSA-N 2 1 334.439 1.388 50 0 EDAAMP O=S(=O)(c1ccccc1)N1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000178964018 442539566 /nfs/dbraw/zinc/53/95/66/442539566.db2.gz WCPVVMUIIITTQD-UHFFFAOYSA-N 2 1 337.489 1.383 50 0 EDAAMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187378065 442673137 /nfs/dbraw/zinc/67/31/37/442673137.db2.gz NHJPSOSRNVAWTI-INIZCTEOSA-N 2 1 326.485 1.272 50 0 EDAAMP Cc1nc2ccc(CC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)cc2[nH]1 ZINC000222487513 443078584 /nfs/dbraw/zinc/07/85/84/443078584.db2.gz CAEQISXCZZWYNG-QRVDHSFSSA-N 2 1 328.416 1.248 50 0 EDAAMP OCC[N@@H+]1CCc2nnc([C@H]3CC[NH+](Cc4ccccc4)C3)n2CC1 ZINC000257185453 443119488 /nfs/dbraw/zinc/11/94/88/443119488.db2.gz JNOPQBABZITGQI-KRWDZBQOSA-N 2 1 341.459 1.118 50 0 EDAAMP OCC[NH+]1CCc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2CC1 ZINC000257185453 443119493 /nfs/dbraw/zinc/11/94/93/443119493.db2.gz JNOPQBABZITGQI-KRWDZBQOSA-N 2 1 341.459 1.118 50 0 EDAAMP CSCC[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000237305442 443167630 /nfs/dbraw/zinc/16/76/30/443167630.db2.gz ZRWLVXQTBOLTDE-XHSDSOJGSA-N 2 1 342.553 1.084 50 0 EDAAMP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000187225503 534331075 /nfs/dbraw/zinc/33/10/75/534331075.db2.gz HUWMIWXWIKEKLT-KRWDZBQOSA-N 2 1 338.496 1.272 50 0 EDAAMP O=C(NCC[NH+]1CCCOCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000187225503 534331081 /nfs/dbraw/zinc/33/10/81/534331081.db2.gz HUWMIWXWIKEKLT-KRWDZBQOSA-N 2 1 338.496 1.272 50 0 EDAAMP O=C(NCC[NH+]1CCCOCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000187225503 534331087 /nfs/dbraw/zinc/33/10/87/534331087.db2.gz HUWMIWXWIKEKLT-KRWDZBQOSA-N 2 1 338.496 1.272 50 0 EDAAMP Cc1cc(N2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)nc(N)[nH+]1 ZINC000072433512 216227952 /nfs/dbraw/zinc/22/79/52/216227952.db2.gz UZJDHFIXIBOMID-CQSZACIVSA-N 2 1 333.461 1.502 50 0 EDAAMP Cc1cc(N2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)nc(N)[nH+]1 ZINC000072433512 216227956 /nfs/dbraw/zinc/22/79/56/216227956.db2.gz UZJDHFIXIBOMID-CQSZACIVSA-N 2 1 333.461 1.502 50 0 EDAAMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c1 ZINC000195549739 241000251 /nfs/dbraw/zinc/00/02/51/241000251.db2.gz HOLRPVGVOKXLHZ-UKRRQHHQSA-N 2 1 325.478 1.730 50 0 EDAAMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1 ZINC000195549739 241000256 /nfs/dbraw/zinc/00/02/56/241000256.db2.gz HOLRPVGVOKXLHZ-UKRRQHHQSA-N 2 1 325.478 1.730 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nc(Cc3ccccc3)no2)CC1 ZINC000069810385 203051986 /nfs/dbraw/zinc/05/19/86/203051986.db2.gz PUJUDIFATGKLAF-HNNXBMFYSA-N 2 1 344.459 1.843 50 0 EDAAMP Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc[nH+]1 ZINC000071763883 203110993 /nfs/dbraw/zinc/11/09/93/203110993.db2.gz NYFWRSKZQCGLQQ-ZDUSSCGKSA-N 2 1 344.463 1.018 50 0 EDAAMP Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc[nH+]1 ZINC000071763883 203110996 /nfs/dbraw/zinc/11/09/96/203110996.db2.gz NYFWRSKZQCGLQQ-ZDUSSCGKSA-N 2 1 344.463 1.018 50 0 EDAAMP CCCn1ccnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH2+]C)C1 ZINC000072407290 203215801 /nfs/dbraw/zinc/21/58/01/203215801.db2.gz UNYRKWPSEQCVCQ-JKSUJKDBSA-N 2 1 333.480 1.325 50 0 EDAAMP CCCn1ccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH2+]C)C1 ZINC000072407290 203215805 /nfs/dbraw/zinc/21/58/05/203215805.db2.gz UNYRKWPSEQCVCQ-JKSUJKDBSA-N 2 1 333.480 1.325 50 0 EDAAMP COc1ccc(OC)c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c1 ZINC000072409301 203217991 /nfs/dbraw/zinc/21/79/91/203217991.db2.gz GOAVESDPLOMSBE-WMLDXEAASA-N 2 1 347.459 1.475 50 0 EDAAMP O=C1[C@H]2CC[C@H](C[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)N1Cc1cscn1 ZINC000102697327 204045743 /nfs/dbraw/zinc/04/57/43/204045743.db2.gz FNVHANQMFXYLPG-PJGLDBICSA-N 2 1 332.473 1.031 50 0 EDAAMP OC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH+]1CCCC1 ZINC000091585926 285292714 /nfs/dbraw/zinc/29/27/14/285292714.db2.gz GJEWIBSNSZWKMH-IAGOWNOFSA-N 2 1 342.447 1.003 50 0 EDAAMP OC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH+]1CCCC1 ZINC000091585926 285292715 /nfs/dbraw/zinc/29/27/15/285292715.db2.gz GJEWIBSNSZWKMH-IAGOWNOFSA-N 2 1 342.447 1.003 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCC3(C)COC3)C2)CC1 ZINC000012757973 441141213 /nfs/dbraw/zinc/14/12/13/441141213.db2.gz GGGIPPLGBGKSNI-INIZCTEOSA-N 2 1 337.508 1.724 50 0 EDAAMP COc1ccc(CC[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cc1O ZINC000063856875 441358937 /nfs/dbraw/zinc/35/89/37/441358937.db2.gz ORYSNNPAFFQVCR-RTBURBONSA-N 2 1 334.460 1.912 50 0 EDAAMP C[C@H]1C[N@@H+](C)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089938983 441600643 /nfs/dbraw/zinc/60/06/43/441600643.db2.gz XLRHNWVAZSVLQL-KRWDZBQOSA-N 2 1 344.503 1.403 50 0 EDAAMP [NH3+]C1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc4nonc4c3)C2)CCCC1 ZINC000067885933 441692979 /nfs/dbraw/zinc/69/29/79/441692979.db2.gz XTMWXKGJIGBWCO-AWEZNQCLSA-N 2 1 343.431 1.432 50 0 EDAAMP CC(C)[C@H]1C[N@H+](C)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000097139326 442174019 /nfs/dbraw/zinc/17/40/19/442174019.db2.gz IYDOGEPYTVSMHF-QGZVFWFLSA-N 2 1 332.496 1.000 50 0 EDAAMP CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000097139326 442174024 /nfs/dbraw/zinc/17/40/24/442174024.db2.gz IYDOGEPYTVSMHF-QGZVFWFLSA-N 2 1 332.496 1.000 50 0 EDAAMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000097141154 442174124 /nfs/dbraw/zinc/17/41/24/442174124.db2.gz XVRHUHRMVUFZNW-QRQLOZEOSA-N 2 1 344.503 1.574 50 0 EDAAMP Cc1c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000237678672 443179633 /nfs/dbraw/zinc/17/96/33/443179633.db2.gz FMVQMXSVKCBWBB-CYBMUJFWSA-N 2 1 334.468 1.115 50 0 EDAAMP C[N@@H+]1CCN(CCCNC(=O)[C@@]2(C)CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000408513601 447666686 /nfs/dbraw/zinc/66/66/86/447666686.db2.gz AWQXAIYPNNSEEO-AZUAARDMSA-N 2 1 344.503 1.624 50 0 EDAAMP C[N@H+]1CCN(CCCNC(=O)[C@@]2(C)CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000408513601 447666692 /nfs/dbraw/zinc/66/66/92/447666692.db2.gz AWQXAIYPNNSEEO-AZUAARDMSA-N 2 1 344.503 1.624 50 0 EDAAMP C[N@@H+](CC1(CO)CCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000019535321 202009672 /nfs/dbraw/zinc/00/96/72/202009672.db2.gz KPZFLKURLVJVGY-MSOLQXFVSA-N 2 1 330.472 1.818 50 0 EDAAMP CC(C)[NH+]1CCC(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000067843335 441686774 /nfs/dbraw/zinc/68/67/74/441686774.db2.gz NNLFWNYPNLCVBZ-INIZCTEOSA-N 2 1 331.526 1.368 50 0 EDAAMP CCc1c[nH+]c(N)nc1N1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000091877199 441748962 /nfs/dbraw/zinc/74/89/62/441748962.db2.gz STRJMUKTKLXRBB-AWEZNQCLSA-N 2 1 332.496 1.474 50 0 EDAAMP Cc1ccc([C@@H](C(=O)NCC[NH+]2CCC(CO)CC2)[NH+](C)C)cc1 ZINC000091625361 441719897 /nfs/dbraw/zinc/71/98/97/441719897.db2.gz QLPLDRBIYUTVED-SFHVURJKSA-N 2 1 333.476 1.418 50 0 EDAAMP Fc1ccc(-n2cc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000097162652 442178132 /nfs/dbraw/zinc/17/81/32/442178132.db2.gz YGBDNNJJTIMCSZ-IBGZPJMESA-N 2 1 343.450 1.881 50 0 EDAAMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000247516564 442860079 /nfs/dbraw/zinc/86/00/79/442860079.db2.gz VVTVNNZCMSNXIU-OTWHNJEPSA-N 2 1 343.471 1.630 50 0 EDAAMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000247516564 442860080 /nfs/dbraw/zinc/86/00/80/442860080.db2.gz VVTVNNZCMSNXIU-OTWHNJEPSA-N 2 1 343.471 1.630 50 0 EDAAMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000247516564 442860084 /nfs/dbraw/zinc/86/00/84/442860084.db2.gz VVTVNNZCMSNXIU-OTWHNJEPSA-N 2 1 343.471 1.630 50 0 EDAAMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000195549736 536330213 /nfs/dbraw/zinc/33/02/13/536330213.db2.gz HOLRPVGVOKXLHZ-ZFWWWQNUSA-N 2 1 325.478 1.730 50 0 EDAAMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1 ZINC000195549736 536330214 /nfs/dbraw/zinc/33/02/14/536330214.db2.gz HOLRPVGVOKXLHZ-ZFWWWQNUSA-N 2 1 325.478 1.730 50 0 EDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000020912144 202058742 /nfs/dbraw/zinc/05/87/42/202058742.db2.gz RSOJNJWMYQHNEJ-IBGZPJMESA-N 2 1 347.503 1.660 50 0 EDAAMP Cc1[nH+]cn(CCNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000215091886 241106516 /nfs/dbraw/zinc/10/65/16/241106516.db2.gz CTHPMCSHLFJBMR-UHFFFAOYSA-N 2 1 341.459 1.682 50 0 EDAAMP COc1cc(C(=O)N2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)ccc1O ZINC000072164582 203178301 /nfs/dbraw/zinc/17/83/01/203178301.db2.gz ZRZNSZRQIKQFAK-MRXNPFEDSA-N 2 1 349.475 1.889 50 0 EDAAMP COc1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)ccc1O ZINC000072164582 203178304 /nfs/dbraw/zinc/17/83/04/203178304.db2.gz ZRZNSZRQIKQFAK-MRXNPFEDSA-N 2 1 349.475 1.889 50 0 EDAAMP O[C@@]1(C[NH2+]Cc2csc3ccc(Cl)cc23)C[NH2+]CCOC1 ZINC000077357554 203383456 /nfs/dbraw/zinc/38/34/56/203383456.db2.gz XAJGKFLFGSAJSW-OAHLLOKOSA-N 2 1 326.849 1.995 50 0 EDAAMP CS[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000097015948 278161283 /nfs/dbraw/zinc/16/12/83/278161283.db2.gz SHYILRSBJUALSQ-HOTGVXAUSA-N 2 1 335.521 1.992 50 0 EDAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000005246916 440943461 /nfs/dbraw/zinc/94/34/61/440943461.db2.gz DHUMMCOAQISTNY-UHFFFAOYSA-N 2 1 329.828 1.254 50 0 EDAAMP Nc1nc(N2CCC[N@@H+](C3CCCC3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426405077 447437340 /nfs/dbraw/zinc/43/73/40/447437340.db2.gz CAWMDUGFKIJIQK-CQSZACIVSA-N 2 1 331.464 2.017 50 0 EDAAMP Nc1nc(N2CCC[N@H+](C3CCCC3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426405077 447437346 /nfs/dbraw/zinc/43/73/46/447437346.db2.gz CAWMDUGFKIJIQK-CQSZACIVSA-N 2 1 331.464 2.017 50 0 EDAAMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000299740250 444129288 /nfs/dbraw/zinc/12/92/88/444129288.db2.gz XOCZLVRVQRQIHD-ZBFHGGJFSA-N 2 1 347.459 1.306 50 0 EDAAMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000299740250 444129293 /nfs/dbraw/zinc/12/92/93/444129293.db2.gz XOCZLVRVQRQIHD-ZBFHGGJFSA-N 2 1 347.459 1.306 50 0 EDAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(N(C)C)c1 ZINC000069531018 203014617 /nfs/dbraw/zinc/01/46/17/203014617.db2.gz JOXOHJIVOUCTIK-QGZVFWFLSA-N 2 1 347.507 1.636 50 0 EDAAMP CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000069535422 203015990 /nfs/dbraw/zinc/01/59/90/203015990.db2.gz XCLBNLZEWKUQTM-INIZCTEOSA-N 2 1 331.460 1.775 50 0 EDAAMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069818222 203053960 /nfs/dbraw/zinc/05/39/60/203053960.db2.gz LOJFWGYZHALMSJ-SJLPKXTDSA-N 2 1 339.524 1.802 50 0 EDAAMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](CCCOc3ccc(F)cc3)CC2)C1 ZINC000072457294 203228698 /nfs/dbraw/zinc/22/86/98/203228698.db2.gz VIVYGILVYQTOBR-DOTOQJQBSA-N 2 1 349.450 1.866 50 0 EDAAMP C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000330032851 278256598 /nfs/dbraw/zinc/25/65/98/278256598.db2.gz SINMNEQHHJZXAA-IRXDYDNUSA-N 2 1 336.524 1.393 50 0 EDAAMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330032851 278256601 /nfs/dbraw/zinc/25/66/01/278256601.db2.gz SINMNEQHHJZXAA-IRXDYDNUSA-N 3 1 336.524 1.393 50 0 EDAAMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000330032851 278256603 /nfs/dbraw/zinc/25/66/03/278256603.db2.gz SINMNEQHHJZXAA-IRXDYDNUSA-N 3 1 336.524 1.393 50 0 EDAAMP Cc1nn(CCO)c(C)c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000065403320 441426248 /nfs/dbraw/zinc/42/62/48/441426248.db2.gz WKZJFJAYYVFOTN-UHFFFAOYSA-N 2 1 329.448 1.518 50 0 EDAAMP Cc1cc2c(cc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]3CCCC3)C1)OCO2 ZINC000091876817 441749189 /nfs/dbraw/zinc/74/91/89/441749189.db2.gz PWNGLDLDFJLJNE-IAGOWNOFSA-N 2 1 332.444 1.860 50 0 EDAAMP Cc1cc2c(cc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]3CCCC3)C1)OCO2 ZINC000091876817 441749195 /nfs/dbraw/zinc/74/91/95/441749195.db2.gz PWNGLDLDFJLJNE-IAGOWNOFSA-N 2 1 332.444 1.860 50 0 EDAAMP C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000095503637 441939643 /nfs/dbraw/zinc/93/96/43/441939643.db2.gz KVUQJCMXOQBJBX-CQSZACIVSA-N 2 1 329.452 1.591 50 0 EDAAMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000170602204 442234777 /nfs/dbraw/zinc/23/47/77/442234777.db2.gz PDSQLXZLYFCKAE-CABCVRRESA-N 2 1 342.528 1.449 50 0 EDAAMP C[N@@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC000221813311 443073805 /nfs/dbraw/zinc/07/38/05/443073805.db2.gz OIPHXCKROXMMBT-MSOLQXFVSA-N 2 1 330.476 1.997 50 0 EDAAMP C[NH+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000221813311 443073809 /nfs/dbraw/zinc/07/38/09/443073809.db2.gz OIPHXCKROXMMBT-MSOLQXFVSA-N 2 1 330.476 1.997 50 0 EDAAMP C[NH+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000221813311 443073814 /nfs/dbraw/zinc/07/38/14/443073814.db2.gz OIPHXCKROXMMBT-MSOLQXFVSA-N 2 1 330.476 1.997 50 0 EDAAMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)CC2 ZINC000237409965 443170911 /nfs/dbraw/zinc/17/09/11/443170911.db2.gz XOCZLVRVQRQIHD-GOEBONIOSA-N 2 1 347.459 1.306 50 0 EDAAMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)CC2 ZINC000237409965 443170913 /nfs/dbraw/zinc/17/09/13/443170913.db2.gz XOCZLVRVQRQIHD-GOEBONIOSA-N 2 1 347.459 1.306 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000299739102 444128820 /nfs/dbraw/zinc/12/88/20/444128820.db2.gz KMSXDSNQHMHWJI-NXHRZFHOSA-N 2 1 346.475 1.177 50 0 EDAAMP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584897192 448668881 /nfs/dbraw/zinc/66/88/81/448668881.db2.gz WHYGZXLAZKUTLP-IRXDYDNUSA-N 2 1 347.463 1.021 50 0 EDAAMP COC(=O)CCn1cc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000072166636 203179852 /nfs/dbraw/zinc/17/98/52/203179852.db2.gz KIVCBXCMLYVCRJ-INIZCTEOSA-N 2 1 345.447 1.863 50 0 EDAAMP COC(=O)CCn1cc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000072166636 203179856 /nfs/dbraw/zinc/17/98/56/203179856.db2.gz KIVCBXCMLYVCRJ-INIZCTEOSA-N 2 1 345.447 1.863 50 0 EDAAMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000175653700 207147334 /nfs/dbraw/zinc/14/73/34/207147334.db2.gz RNUKKZOLKATQHW-INIZCTEOSA-N 2 1 338.496 1.225 50 0 EDAAMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH2+]C)cc2F)CC1 ZINC000178286535 279373626 /nfs/dbraw/zinc/37/36/26/279373626.db2.gz AFFFGCLLUIVXII-MRXNPFEDSA-N 2 1 348.466 1.792 50 0 EDAAMP CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000069929792 441092106 /nfs/dbraw/zinc/09/21/06/441092106.db2.gz AXXPMVXAWAHNBO-IAGOWNOFSA-N 2 1 343.475 1.238 50 0 EDAAMP CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000069929792 441092110 /nfs/dbraw/zinc/09/21/10/441092110.db2.gz AXXPMVXAWAHNBO-IAGOWNOFSA-N 2 1 343.475 1.238 50 0 EDAAMP C[NH+](C)CCOC1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000097527982 441140319 /nfs/dbraw/zinc/14/03/19/441140319.db2.gz ZCAYXTKUBSHKOI-IBGZPJMESA-N 2 1 345.487 1.612 50 0 EDAAMP C[NH+](C)CCOC1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000097527982 441140323 /nfs/dbraw/zinc/14/03/23/441140323.db2.gz ZCAYXTKUBSHKOI-IBGZPJMESA-N 2 1 345.487 1.612 50 0 EDAAMP Cc1[nH+]ccn1-c1cc(N2CC[NH+](C(C)C)CC2)nc2ccnn21 ZINC000065259433 441411347 /nfs/dbraw/zinc/41/13/47/441411347.db2.gz DJLHBYWKMQKRBK-UHFFFAOYSA-N 2 1 325.420 1.754 50 0 EDAAMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055357728 441644269 /nfs/dbraw/zinc/64/42/69/441644269.db2.gz NKQUMCUEGPRENC-MRXNPFEDSA-N 2 1 335.448 1.330 50 0 EDAAMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055357728 441644270 /nfs/dbraw/zinc/64/42/70/441644270.db2.gz NKQUMCUEGPRENC-MRXNPFEDSA-N 2 1 335.448 1.330 50 0 EDAAMP CCCCn1cc[nH+]c1[C@H]1CCCN(Cc2nc(C(N)=O)no2)C1 ZINC000095356492 441911859 /nfs/dbraw/zinc/91/18/59/441911859.db2.gz IEEQGTUYIMOPNM-LBPRGKRZSA-N 2 1 332.408 1.545 50 0 EDAAMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000069535448 441970280 /nfs/dbraw/zinc/97/02/80/441970280.db2.gz OMAGLHHFYLQYPG-GOSISDBHSA-N 2 1 337.508 1.823 50 0 EDAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cccc(OCC(N)=O)c2)CC1 ZINC000097347201 442191749 /nfs/dbraw/zinc/19/17/49/442191749.db2.gz KEZYPCARCXJFKO-UHFFFAOYSA-N 2 1 342.443 1.968 50 0 EDAAMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C)CC1 ZINC000170595920 442233577 /nfs/dbraw/zinc/23/35/77/442233577.db2.gz KWUVYJPCWLFDDF-GJZGRUSLSA-N 2 1 340.512 1.116 50 0 EDAAMP Cn1c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc2ccccc21 ZINC000248027431 442878212 /nfs/dbraw/zinc/87/82/12/442878212.db2.gz MIUIOSKGSKVVKG-HNNXBMFYSA-N 2 1 341.459 1.217 50 0 EDAAMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])CC2 ZINC000237409539 443170995 /nfs/dbraw/zinc/17/09/95/443170995.db2.gz MLVLZAJHQQECDJ-CVEARBPZSA-N 2 1 347.459 1.306 50 0 EDAAMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])CC2 ZINC000237409539 443171000 /nfs/dbraw/zinc/17/10/00/443171000.db2.gz MLVLZAJHQQECDJ-CVEARBPZSA-N 2 1 347.459 1.306 50 0 EDAAMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(CO)cc3)CC2)CC1 ZINC000240900769 443204186 /nfs/dbraw/zinc/20/41/86/443204186.db2.gz ITSYSDSSYLPJFG-UHFFFAOYSA-N 2 1 345.487 1.555 50 0 EDAAMP CCNC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000240902752 443204226 /nfs/dbraw/zinc/20/42/26/443204226.db2.gz IVECRMZXKBLFQA-HIFRSBDPSA-N 2 1 335.448 1.379 50 0 EDAAMP Nc1nc(NCC2CC[NH+](C3CCCC3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426571458 447472721 /nfs/dbraw/zinc/47/27/21/447472721.db2.gz JDTNHLNWLWAFKT-HNNXBMFYSA-N 2 1 345.491 2.051 50 0 EDAAMP NC(=O)COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000215971786 241156661 /nfs/dbraw/zinc/15/66/61/241156661.db2.gz BKJXBWUPAFRCNN-UHFFFAOYSA-N 2 1 326.400 1.268 50 0 EDAAMP CC[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000225724256 242005325 /nfs/dbraw/zinc/00/53/25/242005325.db2.gz TXSXLCFRNMHYCZ-RBUKOAKNSA-N 2 1 339.524 1.672 50 0 EDAAMP C[C@@H](NC(=O)C[N@@H+](C)CC1CC[NH+](CCO)CC1)c1cccs1 ZINC000069927489 203064107 /nfs/dbraw/zinc/06/41/07/203064107.db2.gz FWIBFPDLFNHNMI-CQSZACIVSA-N 2 1 339.505 1.561 50 0 EDAAMP NC(=O)C1CC[NH+](CCC[NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000071852311 203129424 /nfs/dbraw/zinc/12/94/24/203129424.db2.gz TULGDVBFWHSXOJ-UHFFFAOYSA-N 2 1 341.459 1.549 50 0 EDAAMP C[C@H](C(=O)NCc1cccs1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071871554 203133229 /nfs/dbraw/zinc/13/32/29/203133229.db2.gz HDPFCGDHZQGLRH-CQSZACIVSA-N 2 1 339.505 1.389 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cnccn1)CC[NH+](C)CC2 ZINC000072406804 203216151 /nfs/dbraw/zinc/21/61/51/203216151.db2.gz NHLTZZRHPIGVFG-KRWDZBQOSA-N 2 1 345.491 1.631 50 0 EDAAMP COc1ccccc1CCCNC(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072421783 203220278 /nfs/dbraw/zinc/22/02/78/203220278.db2.gz RHJJVUGRLZNRRF-KRWDZBQOSA-N 2 1 345.487 1.818 50 0 EDAAMP Cn1cccc1CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000299786821 258093724 /nfs/dbraw/zinc/09/37/24/258093724.db2.gz NXDBIDJQXQIAHZ-MRXNPFEDSA-N 2 1 332.492 1.490 50 0 EDAAMP Cn1cccc1CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000299786821 258093725 /nfs/dbraw/zinc/09/37/25/258093725.db2.gz NXDBIDJQXQIAHZ-MRXNPFEDSA-N 2 1 332.492 1.490 50 0 EDAAMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351947 277105209 /nfs/dbraw/zinc/10/52/09/277105209.db2.gz AAWCVMPYNRRZOM-ROUUACIJSA-N 2 1 330.476 1.233 50 0 EDAAMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351947 277105210 /nfs/dbraw/zinc/10/52/10/277105210.db2.gz AAWCVMPYNRRZOM-ROUUACIJSA-N 2 1 330.476 1.233 50 0 EDAAMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351947 277105211 /nfs/dbraw/zinc/10/52/11/277105211.db2.gz AAWCVMPYNRRZOM-ROUUACIJSA-N 2 1 330.476 1.233 50 0 EDAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CO)CC1 ZINC000011957151 295359596 /nfs/dbraw/zinc/35/95/96/295359596.db2.gz ZUZKSQLYCJIETH-GOSISDBHSA-N 2 1 336.476 1.235 50 0 EDAAMP CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072426657 441230506 /nfs/dbraw/zinc/23/05/06/441230506.db2.gz QYAHAECFMIEZFE-HNNXBMFYSA-N 2 1 347.507 1.740 50 0 EDAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CC3CCC3)CC2)C1)N1CCOCC1 ZINC000082097521 441332500 /nfs/dbraw/zinc/33/25/00/441332500.db2.gz SLTBXHPXKHPSJD-GOSISDBHSA-N 2 1 349.519 1.822 50 0 EDAAMP CC[N@@H+]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000089977249 441608953 /nfs/dbraw/zinc/60/89/53/441608953.db2.gz XIGQCYPUYKOTSE-QGZVFWFLSA-N 2 1 340.512 1.471 50 0 EDAAMP CC[N@H+]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000089977249 441608957 /nfs/dbraw/zinc/60/89/57/441608957.db2.gz XIGQCYPUYKOTSE-QGZVFWFLSA-N 2 1 340.512 1.471 50 0 EDAAMP Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000091604336 441717901 /nfs/dbraw/zinc/71/79/01/441717901.db2.gz KWAHYUMEYCFQNI-QGZVFWFLSA-N 2 1 342.447 1.469 50 0 EDAAMP Cn1cc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[NH+](C)C)cn1 ZINC000096410714 442116852 /nfs/dbraw/zinc/11/68/52/442116852.db2.gz GCNRJQDFUBFIKW-WBVHZDCISA-N 2 1 348.495 1.339 50 0 EDAAMP Cn1cc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[NH+](C)C)cn1 ZINC000096410714 442116855 /nfs/dbraw/zinc/11/68/55/442116855.db2.gz GCNRJQDFUBFIKW-WBVHZDCISA-N 2 1 348.495 1.339 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000195118157 442983614 /nfs/dbraw/zinc/98/36/14/442983614.db2.gz BESSKVLPSXPOTO-DAYGRLMNSA-N 2 1 331.460 1.859 50 0 EDAAMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000195118157 442983619 /nfs/dbraw/zinc/98/36/19/442983619.db2.gz BESSKVLPSXPOTO-DAYGRLMNSA-N 2 1 331.460 1.859 50 0 EDAAMP Nc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C2CC([NH3+])C2)n1 ZINC000222801189 443081712 /nfs/dbraw/zinc/08/17/12/443081712.db2.gz CAIFBFRMACVCDY-GPANFISMSA-N 2 1 338.459 1.950 50 0 EDAAMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[C@H]3[NH3+])c2)CCO1 ZINC000299740126 444129526 /nfs/dbraw/zinc/12/95/26/444129526.db2.gz WDICBRRLXXQFIG-ZTFGCOKTSA-N 2 1 331.460 1.651 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[C@H]3[NH3+])c2)CCO1 ZINC000299740126 444129528 /nfs/dbraw/zinc/12/95/28/444129528.db2.gz WDICBRRLXXQFIG-ZTFGCOKTSA-N 2 1 331.460 1.651 50 0 EDAAMP CN1CC[NH+](CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000022934687 202095604 /nfs/dbraw/zinc/09/56/04/202095604.db2.gz ILYHDZZBCHCGKC-UHFFFAOYSA-N 2 1 344.503 1.650 50 0 EDAAMP c1ccc(C[NH+]2CCN(CCN3CCC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000244659635 243051501 /nfs/dbraw/zinc/05/15/01/243051501.db2.gz HGGMCGWMSMBZLT-NRFANRHFSA-N 2 1 342.531 1.974 50 0 EDAAMP CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071775688 203112140 /nfs/dbraw/zinc/11/21/40/203112140.db2.gz DKHIXUVOJLRIDW-INIZCTEOSA-N 2 1 330.476 1.846 50 0 EDAAMP CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071775688 203112142 /nfs/dbraw/zinc/11/21/42/203112142.db2.gz DKHIXUVOJLRIDW-INIZCTEOSA-N 2 1 330.476 1.846 50 0 EDAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](CCOCc3ccccc3)CC[C@H]21 ZINC000072428235 203222729 /nfs/dbraw/zinc/22/27/29/203222729.db2.gz STIJXHYONVTZMF-RBUKOAKNSA-N 2 1 345.487 1.736 50 0 EDAAMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH2+]C)cc2F)CC1 ZINC000178286547 276388042 /nfs/dbraw/zinc/38/80/42/276388042.db2.gz AFFFGCLLUIVXII-INIZCTEOSA-N 2 1 348.466 1.792 50 0 EDAAMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000072280933 441219816 /nfs/dbraw/zinc/21/98/16/441219816.db2.gz RNRPBWFANNYQSM-MRXNPFEDSA-N 2 1 340.512 1.613 50 0 EDAAMP C[N@H+](CC(=O)NCc1cc2n(n1)CCC[NH2+]C2)Cc1ccc(F)cc1 ZINC000082120168 441334773 /nfs/dbraw/zinc/33/47/73/441334773.db2.gz IAEJRZCXBMZQNH-UHFFFAOYSA-N 2 1 345.422 1.264 50 0 EDAAMP C[N@@H+](CC(=O)NCc1cc2n(n1)CCC[NH2+]C2)Cc1ccc(F)cc1 ZINC000082120168 441334780 /nfs/dbraw/zinc/33/47/80/441334780.db2.gz IAEJRZCXBMZQNH-UHFFFAOYSA-N 2 1 345.422 1.264 50 0 EDAAMP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000063871822 441360012 /nfs/dbraw/zinc/36/00/12/441360012.db2.gz ZHYCJFJCXGNXDJ-DOTOQJQBSA-N 2 1 337.489 1.688 50 0 EDAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000065532739 441453438 /nfs/dbraw/zinc/45/34/38/441453438.db2.gz RFWHOOQIFDFRIL-IUODEOHRSA-N 2 1 327.350 1.473 50 0 EDAAMP O=C(C[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000067726256 441674349 /nfs/dbraw/zinc/67/43/49/441674349.db2.gz KBOJMICQJFGXCX-KRWDZBQOSA-N 2 1 331.460 1.816 50 0 EDAAMP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000174458517 441926999 /nfs/dbraw/zinc/92/69/99/441926999.db2.gz GHPDPHPMYWFSEF-SFHVURJKSA-N 2 1 331.460 1.619 50 0 EDAAMP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000174458517 441927004 /nfs/dbraw/zinc/92/70/04/441927004.db2.gz GHPDPHPMYWFSEF-SFHVURJKSA-N 2 1 331.460 1.619 50 0 EDAAMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NCc1ccccc1 ZINC000069030018 441881036 /nfs/dbraw/zinc/88/10/36/441881036.db2.gz ZSPCXUOBAGGORK-UHFFFAOYSA-N 2 1 331.460 1.347 50 0 EDAAMP COc1cc2c(cc1OC)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000096232360 442097209 /nfs/dbraw/zinc/09/72/09/442097209.db2.gz JZQRQVIEFXIUDO-UHFFFAOYSA-N 2 1 347.459 1.226 50 0 EDAAMP COc1cc2c(cc1OC)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000096232360 442097215 /nfs/dbraw/zinc/09/72/15/442097215.db2.gz JZQRQVIEFXIUDO-UHFFFAOYSA-N 2 1 347.459 1.226 50 0 EDAAMP Cc1cnc(C2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000252502665 443035815 /nfs/dbraw/zinc/03/58/15/443035815.db2.gz USQYNXWPMXRUSD-UHFFFAOYSA-N 2 1 336.505 1.795 50 0 EDAAMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000252586169 443044839 /nfs/dbraw/zinc/04/48/39/443044839.db2.gz NYFNQZMCLCJGAF-WMLDXEAASA-N 2 1 346.475 1.485 50 0 EDAAMP Cn1cnnc1Sc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)o1 ZINC000102643532 219217594 /nfs/dbraw/zinc/21/75/94/219217594.db2.gz RCBTXIICBSEJNH-ZSOGYDGISA-N 2 1 333.461 1.799 50 0 EDAAMP CC(C)(C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCC2)C1)N1CCCCC1 ZINC000067833412 215223189 /nfs/dbraw/zinc/22/31/89/215223189.db2.gz BOIOYYOUKRYUTR-INIZCTEOSA-N 2 1 336.524 1.570 50 0 EDAAMP CC(C)(C[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCC2)C1)N1CCCCC1 ZINC000067833412 215223192 /nfs/dbraw/zinc/22/31/92/215223192.db2.gz BOIOYYOUKRYUTR-INIZCTEOSA-N 2 1 336.524 1.570 50 0 EDAAMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)[C@@H](C)C(N)=O)CC2)c1C ZINC000069377317 215393493 /nfs/dbraw/zinc/39/34/93/215393493.db2.gz FCSHBUNTQPXKJR-AWEZNQCLSA-N 2 1 334.464 1.477 50 0 EDAAMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)[C@@H](C)C(N)=O)CC2)c1C ZINC000069377317 215393495 /nfs/dbraw/zinc/39/34/95/215393495.db2.gz FCSHBUNTQPXKJR-AWEZNQCLSA-N 2 1 334.464 1.477 50 0 EDAAMP CCOCc1nc2c(c(N(C)CCn3cc[nH+]c3C)n1)CC[NH2+]CC2 ZINC000072475503 216253028 /nfs/dbraw/zinc/25/30/28/216253028.db2.gz IABIMLHPPQLZMG-UHFFFAOYSA-N 2 1 344.463 1.343 50 0 EDAAMP C[NH+](C)Cn1cc(CCC(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000020648103 212160356 /nfs/dbraw/zinc/16/03/56/212160356.db2.gz PGGYZODZOQGYGS-UHFFFAOYSA-N 2 1 328.460 1.867 50 0 EDAAMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]1CCC[C@H]1[NH3+])CC2 ZINC000408525511 250303230 /nfs/dbraw/zinc/30/32/30/250303230.db2.gz MLVLZAJHQQECDJ-JKSUJKDBSA-N 2 1 347.459 1.306 50 0 EDAAMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]1[NH3+])CC2 ZINC000408525511 250303233 /nfs/dbraw/zinc/30/32/33/250303233.db2.gz MLVLZAJHQQECDJ-JKSUJKDBSA-N 2 1 347.459 1.306 50 0 EDAAMP C[C@H](C(=O)NC1CCCCCC1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069923587 289347873 /nfs/dbraw/zinc/34/78/73/289347873.db2.gz OXWSCORAQNTACS-MRXNPFEDSA-N 2 1 339.524 1.850 50 0 EDAAMP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000069979375 441100447 /nfs/dbraw/zinc/10/04/47/441100447.db2.gz SWEGZAOIEKBPOW-INIZCTEOSA-N 2 1 336.480 1.523 50 0 EDAAMP C/C=C/C[N@@H+]1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082108101 441333371 /nfs/dbraw/zinc/33/33/71/441333371.db2.gz WTKWJHNMLYUYEH-ONEGZZNKSA-N 2 1 345.491 1.372 50 0 EDAAMP C/C=C/C[N@H+]1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082108101 441333372 /nfs/dbraw/zinc/33/33/72/441333372.db2.gz WTKWJHNMLYUYEH-ONEGZZNKSA-N 2 1 345.491 1.372 50 0 EDAAMP Cc1nc(C)n(C[C@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000106666272 441363383 /nfs/dbraw/zinc/36/33/83/441363383.db2.gz SBEPHVHEECAHFG-MSOLQXFVSA-N 2 1 335.496 1.452 50 0 EDAAMP Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000106666272 441363384 /nfs/dbraw/zinc/36/33/84/441363384.db2.gz SBEPHVHEECAHFG-MSOLQXFVSA-N 2 1 335.496 1.452 50 0 EDAAMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000065371012 441419536 /nfs/dbraw/zinc/41/95/36/441419536.db2.gz PRQGILKVJPQVJZ-KRWDZBQOSA-N 2 1 337.508 1.700 50 0 EDAAMP Cc1ccc([C@@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000092038595 441764149 /nfs/dbraw/zinc/76/41/49/441764149.db2.gz CAFHJQWRDDCXTN-KRWDZBQOSA-N 2 1 333.476 1.513 50 0 EDAAMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000246464866 442783080 /nfs/dbraw/zinc/78/30/80/442783080.db2.gz VDUINFQFCGULGE-IXDOHACOSA-N 2 1 338.496 1.221 50 0 EDAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000246464866 442783082 /nfs/dbraw/zinc/78/30/82/442783082.db2.gz VDUINFQFCGULGE-IXDOHACOSA-N 2 1 338.496 1.221 50 0 EDAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000246464866 442783086 /nfs/dbraw/zinc/78/30/86/442783086.db2.gz VDUINFQFCGULGE-IXDOHACOSA-N 2 1 338.496 1.221 50 0 EDAAMP COCCCC[NH+]1CCN(C(=O)C[NH+]2CCCCCCC2)CC1 ZINC000584890411 448667152 /nfs/dbraw/zinc/66/71/52/448667152.db2.gz PKZDYACZGYKPMM-UHFFFAOYSA-N 2 1 325.497 1.823 50 0 EDAAMP CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000216532434 536474081 /nfs/dbraw/zinc/47/40/81/536474081.db2.gz LGFXZPSXZAFBCF-KRWDZBQOSA-N 2 1 343.431 1.398 50 0 EDAAMP CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000216532434 536474084 /nfs/dbraw/zinc/47/40/84/536474084.db2.gz LGFXZPSXZAFBCF-KRWDZBQOSA-N 2 1 343.431 1.398 50 0 EDAAMP COCC[N@H+]1CCC2(CC[NH+](Cc3[nH]cnc3C)CC2)[C@@H](CO)C1 ZINC000097674327 219045712 /nfs/dbraw/zinc/04/57/12/219045712.db2.gz FCQBLRPGMRTSLO-MRXNPFEDSA-N 2 1 336.480 1.261 50 0 EDAAMP C[NH+](C)Cc1csc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299796619 258100986 /nfs/dbraw/zinc/10/09/86/258100986.db2.gz RLWDUCVHNHELHD-HOTGVXAUSA-N 2 1 333.461 1.747 50 0 EDAAMP O=c1c2c(ncn1Cc1cn3ccccc3[nH+]1)sc1c2CC[NH2+]C1 ZINC000082127852 441335812 /nfs/dbraw/zinc/33/58/12/441335812.db2.gz RPUXZSQQNCPTGR-UHFFFAOYSA-N 2 1 337.408 1.800 50 0 EDAAMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000089312251 441537577 /nfs/dbraw/zinc/53/75/77/441537577.db2.gz VLWZIGXISQTTJI-UONOGXRCSA-N 2 1 340.493 1.371 50 0 EDAAMP C[N@H+](CC(=O)NC1CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069489451 441950242 /nfs/dbraw/zinc/95/02/42/441950242.db2.gz SRBVSKYPYQVVTC-IBGZPJMESA-N 2 1 345.487 1.642 50 0 EDAAMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](Cn2cncn2)C1 ZINC000069698057 442011541 /nfs/dbraw/zinc/01/15/41/442011541.db2.gz CMQKMFMJZOSTBE-RBUKOAKNSA-N 2 1 343.475 1.483 50 0 EDAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](Cn2cncn2)C1 ZINC000069698057 442011547 /nfs/dbraw/zinc/01/15/47/442011547.db2.gz CMQKMFMJZOSTBE-RBUKOAKNSA-N 2 1 343.475 1.483 50 0 EDAAMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069698057 442011553 /nfs/dbraw/zinc/01/15/53/442011553.db2.gz CMQKMFMJZOSTBE-RBUKOAKNSA-N 2 1 343.475 1.483 50 0 EDAAMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069698057 442011560 /nfs/dbraw/zinc/01/15/60/442011560.db2.gz CMQKMFMJZOSTBE-RBUKOAKNSA-N 2 1 343.475 1.483 50 0 EDAAMP CN1CCC[N@@H+](C)CC12CCN(C(=O)Nc1cccc(C[NH3+])c1)CC2 ZINC000097179314 442179289 /nfs/dbraw/zinc/17/92/89/442179289.db2.gz LNFSAXHYYVROCE-UHFFFAOYSA-N 2 1 345.491 1.779 50 0 EDAAMP CN1CCC[N@H+](C)C2(CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)C1 ZINC000097179314 442179293 /nfs/dbraw/zinc/17/92/93/442179293.db2.gz LNFSAXHYYVROCE-UHFFFAOYSA-N 2 1 345.491 1.779 50 0 EDAAMP CN1CCC[N@@H+](C)C2(CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)C1 ZINC000097179314 442179298 /nfs/dbraw/zinc/17/92/98/442179298.db2.gz LNFSAXHYYVROCE-UHFFFAOYSA-N 2 1 345.491 1.779 50 0 EDAAMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587317 443044804 /nfs/dbraw/zinc/04/48/04/443044804.db2.gz XLPNKMBUYSNUTG-SLFFLAALSA-N 2 1 329.488 1.819 50 0 EDAAMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CCOCC4)[C@@H]3C2)cc1 ZINC000215656017 443055850 /nfs/dbraw/zinc/05/58/50/443055850.db2.gz XLPNKMBUYSNUTG-ZCNNSNEGSA-N 2 1 329.488 1.819 50 0 EDAAMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[C@@H]3[NH3+])c2)CCO1 ZINC000299740125 444128912 /nfs/dbraw/zinc/12/89/12/444128912.db2.gz WDICBRRLXXQFIG-JLSDUUJJSA-N 2 1 331.460 1.651 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[C@@H]3[NH3+])c2)CCO1 ZINC000299740125 444128917 /nfs/dbraw/zinc/12/89/17/444128917.db2.gz WDICBRRLXXQFIG-JLSDUUJJSA-N 2 1 331.460 1.651 50 0 EDAAMP CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000670469830 486560693 /nfs/dbraw/zinc/56/06/93/486560693.db2.gz XHSOSDKJEQJRFM-GJZGRUSLSA-N 2 1 325.497 1.769 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCc1cnccn1)CC[NH+](C)CC2 ZINC000072427829 216218539 /nfs/dbraw/zinc/21/85/39/216218539.db2.gz FESVBQYTOHKRLD-KRWDZBQOSA-N 2 1 345.491 1.332 50 0 EDAAMP [NH3+]CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CCO1 ZINC000244673598 243053200 /nfs/dbraw/zinc/05/32/00/243053200.db2.gz HSECJLPANZWLND-GFCCVEGCSA-N 2 1 329.803 1.857 50 0 EDAAMP C[N@H+]1CCC[C@H]1CCn1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000092061874 218111988 /nfs/dbraw/zinc/11/19/88/218111988.db2.gz GMXDHHAAQSJTHB-AWEZNQCLSA-N 2 1 329.452 1.550 50 0 EDAAMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1COCC[NH2+]1 ZINC000166674574 226166484 /nfs/dbraw/zinc/16/64/84/226166484.db2.gz VCEUIQBHGOTRRB-SFHVURJKSA-N 2 1 331.460 1.667 50 0 EDAAMP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C(CO)CO)C3)C2)c1 ZINC000072431817 278010418 /nfs/dbraw/zinc/01/04/18/278010418.db2.gz VJPGBXFLGDPPDB-IBGZPJMESA-N 2 1 334.460 1.336 50 0 EDAAMP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C(CO)CO)C3)C2)c1 ZINC000072431817 278010420 /nfs/dbraw/zinc/01/04/20/278010420.db2.gz VJPGBXFLGDPPDB-IBGZPJMESA-N 2 1 334.460 1.336 50 0 EDAAMP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C(CO)CO)C3)C2)c1 ZINC000072431817 278010423 /nfs/dbraw/zinc/01/04/23/278010423.db2.gz VJPGBXFLGDPPDB-IBGZPJMESA-N 2 1 334.460 1.336 50 0 EDAAMP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C(CO)CO)C3)C2)c1 ZINC000072431817 278010424 /nfs/dbraw/zinc/01/04/24/278010424.db2.gz VJPGBXFLGDPPDB-IBGZPJMESA-N 2 1 334.460 1.336 50 0 EDAAMP C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000237457097 278304171 /nfs/dbraw/zinc/30/41/71/278304171.db2.gz KSWBJJRBUOPRDA-LLVKDONJSA-N 2 1 340.265 1.877 50 0 EDAAMP [NH3+]CCC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071721322 441148419 /nfs/dbraw/zinc/14/84/19/441148419.db2.gz MKEZGCZPQMDYGR-FSPWUOQZSA-N 2 1 335.398 1.702 50 0 EDAAMP Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccnc(-n3cc[nH+]c3C)c1)CN2 ZINC000058325237 441178745 /nfs/dbraw/zinc/17/87/45/441178745.db2.gz WBKMVCTZUPIERR-INIZCTEOSA-N 2 1 337.431 1.912 50 0 EDAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3cscn3)C2)CC1 ZINC000071736505 441149691 /nfs/dbraw/zinc/14/96/91/441149691.db2.gz RQWLUXCMJGDPJY-AWEZNQCLSA-N 2 1 336.505 1.608 50 0 EDAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCc3cscn3)C2)CC1 ZINC000071736505 441149695 /nfs/dbraw/zinc/14/96/95/441149695.db2.gz RQWLUXCMJGDPJY-AWEZNQCLSA-N 2 1 336.505 1.608 50 0 EDAAMP CCC[N@H+]1CCCn2nc(CNC(=O)C3(C)CC[NH2+]CC3)cc2C1 ZINC000082156059 441337812 /nfs/dbraw/zinc/33/78/12/441337812.db2.gz HPUARGZHRQVSTN-UHFFFAOYSA-N 2 1 333.480 1.505 50 0 EDAAMP Cn1cc(-c2nc(C[N@@H+](C)CC3CC[NH+](CCO)CC3)cs2)cn1 ZINC000075603063 441538619 /nfs/dbraw/zinc/53/86/19/441538619.db2.gz MNWSAKBYWXBVPM-UHFFFAOYSA-N 2 1 349.504 1.680 50 0 EDAAMP Cc1cc(N2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)nc(N)n1 ZINC000067894490 441693936 /nfs/dbraw/zinc/69/39/36/441693936.db2.gz QUNHLBXOEBDRLV-UHFFFAOYSA-N 2 1 344.507 1.802 50 0 EDAAMP CCCc1cc(N2CCC([NH2+][C@@H](C)Cn3cncn3)CC2)nc(C)[nH+]1 ZINC000095504311 441939819 /nfs/dbraw/zinc/93/98/19/441939819.db2.gz RFIXBEVEYYWDGO-AWEZNQCLSA-N 2 1 343.479 1.976 50 0 EDAAMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+](CC)CC)c2C1 ZINC000096410734 442116580 /nfs/dbraw/zinc/11/65/80/442116580.db2.gz IAKULHFXZDKSBF-UHFFFAOYSA-N 2 1 346.475 1.809 50 0 EDAAMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+](CC)CC)c2C1 ZINC000096410734 442116584 /nfs/dbraw/zinc/11/65/84/442116584.db2.gz IAKULHFXZDKSBF-UHFFFAOYSA-N 2 1 346.475 1.809 50 0 EDAAMP CCCCc1nc(NCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000534587736 448456995 /nfs/dbraw/zinc/45/69/95/448456995.db2.gz IYDPEDFOXVCKGS-CABCVRRESA-N 2 1 333.480 2.173 50 0 EDAAMP O=C(C[NH+]1CCCCCCC1)NCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000584887266 448665039 /nfs/dbraw/zinc/66/50/39/448665039.db2.gz LPGHCHOZKRDFOZ-QGZVFWFLSA-N 2 1 325.497 1.463 50 0 EDAAMP CCOCC[NH+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000164469673 528734859 /nfs/dbraw/zinc/73/48/59/528734859.db2.gz ONEKXLDLVWTHHP-UHFFFAOYSA-N 2 1 345.487 1.489 50 0 EDAAMP O=C(C[NH+]1CCC(O)CC1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012029972 710308130 /nfs/dbraw/zinc/30/81/30/710308130.db2.gz FPDLHRUBRMEAEC-INIZCTEOSA-N 2 1 337.508 1.747 50 0 EDAAMP O=C(C[NH+]1CCC(O)CC1)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012029972 710308131 /nfs/dbraw/zinc/30/81/31/710308131.db2.gz FPDLHRUBRMEAEC-INIZCTEOSA-N 2 1 337.508 1.747 50 0 EDAAMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000053212652 214169619 /nfs/dbraw/zinc/16/96/19/214169619.db2.gz UKQFGKYVNFHHOA-UHFFFAOYSA-N 2 1 333.480 1.234 50 0 EDAAMP C/C=C(\C)C[NH+]1CCC(CNC(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000067820953 215222237 /nfs/dbraw/zinc/22/22/37/215222237.db2.gz USRJLJVKFMPBSI-HAVNEIBRSA-N 2 1 336.524 1.418 50 0 EDAAMP CN1CC[N@@H+](C)CC12CC[NH+](Cc1ccccc1OCCO)CC2 ZINC000067919665 215250606 /nfs/dbraw/zinc/25/06/06/215250606.db2.gz ODFGWUYXSUPXEZ-UHFFFAOYSA-N 2 1 333.476 1.270 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCCn1ccnc1)CC[NH+](C)CC2 ZINC000072423819 216212795 /nfs/dbraw/zinc/21/27/95/216212795.db2.gz LGJPWTXYTMMCAN-QGZVFWFLSA-N 2 1 347.507 1.586 50 0 EDAAMP COc1ccc(OC)c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000019889831 212080086 /nfs/dbraw/zinc/08/00/86/212080086.db2.gz JMZRCEPYMSSQFP-UHFFFAOYSA-N 2 1 333.476 1.916 50 0 EDAAMP Cc1cccc([C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)[NH+](C)C)c1 ZINC000095375211 218307248 /nfs/dbraw/zinc/30/72/48/218307248.db2.gz VOBNLGORKCDHRL-KRWDZBQOSA-N 2 1 333.476 1.825 50 0 EDAAMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000070021951 441105907 /nfs/dbraw/zinc/10/59/07/441105907.db2.gz FGDQZEIQIODHSG-QGZVFWFLSA-N 2 1 325.497 1.414 50 0 EDAAMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058421100 441194108 /nfs/dbraw/zinc/19/41/08/441194108.db2.gz YNMSWBZYQPXGMC-OAHLLOKOSA-N 2 1 333.480 1.139 50 0 EDAAMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000058421100 441194109 /nfs/dbraw/zinc/19/41/09/441194109.db2.gz YNMSWBZYQPXGMC-OAHLLOKOSA-N 2 1 333.480 1.139 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nnc(Cc3ccccc3)o2)CC1 ZINC000069877595 442065023 /nfs/dbraw/zinc/06/50/23/442065023.db2.gz IFMQAHPXQYRLHN-HNNXBMFYSA-N 2 1 344.459 1.843 50 0 EDAAMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000252586168 443044274 /nfs/dbraw/zinc/04/42/74/443044274.db2.gz NYFNQZMCLCJGAF-RHSMWYFYSA-N 2 1 346.475 1.485 50 0 EDAAMP COc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3([NH3+])CCC3)C2)c(C)c1 ZINC000067981960 215267317 /nfs/dbraw/zinc/26/73/17/215267317.db2.gz WGRWWLOMWPPOFV-OAHLLOKOSA-N 2 1 331.460 1.823 50 0 EDAAMP C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000241588505 249303931 /nfs/dbraw/zinc/30/39/31/249303931.db2.gz PDSQLXZLYFCKAE-HUUCEWRRSA-N 2 1 342.528 1.449 50 0 EDAAMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCNS(=O)(=O)N(C)C)CC2)C1 ZINC000328594975 258043249 /nfs/dbraw/zinc/04/32/49/258043249.db2.gz HHEGYMQLHFOMOL-HOCLYGCPSA-N 2 1 346.541 1.015 50 0 EDAAMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012587440 441136477 /nfs/dbraw/zinc/13/64/77/441136477.db2.gz YICIOZCIYNZUNB-IBGZPJMESA-N 2 1 345.487 1.532 50 0 EDAAMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012587440 441136481 /nfs/dbraw/zinc/13/64/81/441136481.db2.gz YICIOZCIYNZUNB-IBGZPJMESA-N 2 1 345.487 1.532 50 0 EDAAMP O=C(NCCc1ccc(O)cc1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065469541 441440647 /nfs/dbraw/zinc/44/06/47/441440647.db2.gz WOORLTZEYZOPMG-OXQOHEQNSA-N 2 1 343.471 1.515 50 0 EDAAMP C[N@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)CC1CC1 ZINC000095508064 441942348 /nfs/dbraw/zinc/94/23/48/441942348.db2.gz HYOZBFORGINEDJ-LJQANCHMSA-N 2 1 347.503 1.516 50 0 EDAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+](C)CC3CC3)cc2)CC1 ZINC000095508064 441942362 /nfs/dbraw/zinc/94/23/62/441942362.db2.gz HYOZBFORGINEDJ-LJQANCHMSA-N 2 1 347.503 1.516 50 0 EDAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+](C)CC3CC3)cc2)CC1 ZINC000095508064 441942368 /nfs/dbraw/zinc/94/23/68/441942368.db2.gz HYOZBFORGINEDJ-LJQANCHMSA-N 2 1 347.503 1.516 50 0 EDAAMP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCOC1=O ZINC000069458617 441942417 /nfs/dbraw/zinc/94/24/17/441942417.db2.gz YKTDNJCJKPHGJT-QZTJIDSGSA-N 2 1 332.444 1.679 50 0 EDAAMP C[N@@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCOC1=O ZINC000069458617 441942424 /nfs/dbraw/zinc/94/24/24/441942424.db2.gz YKTDNJCJKPHGJT-QZTJIDSGSA-N 2 1 332.444 1.679 50 0 EDAAMP Cn1cc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[NH+](C)C)cn1 ZINC000096410715 442116922 /nfs/dbraw/zinc/11/69/22/442116922.db2.gz GCNRJQDFUBFIKW-DOTOQJQBSA-N 2 1 348.495 1.339 50 0 EDAAMP Cn1cc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[NH+](C)C)cn1 ZINC000096410715 442116925 /nfs/dbraw/zinc/11/69/25/442116925.db2.gz GCNRJQDFUBFIKW-DOTOQJQBSA-N 2 1 348.495 1.339 50 0 EDAAMP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000096420803 442121623 /nfs/dbraw/zinc/12/16/23/442121623.db2.gz VZCSZAQQYWSKBS-SFHVURJKSA-N 2 1 331.460 1.440 50 0 EDAAMP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000096420803 442121629 /nfs/dbraw/zinc/12/16/29/442121629.db2.gz VZCSZAQQYWSKBS-SFHVURJKSA-N 2 1 331.460 1.440 50 0 EDAAMP c1nc(N2CC[NH+]3CCC[C@@H]3C2)cc(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000185379689 443192304 /nfs/dbraw/zinc/19/23/04/443192304.db2.gz LQVNAFFKDGYLOA-HZPDHXFCSA-N 2 1 328.464 1.045 50 0 EDAAMP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+](C)CCc2ccccc2)C1 ZINC000426478985 447453119 /nfs/dbraw/zinc/45/31/19/447453119.db2.gz QLGPRLPMJHBTQO-SFHVURJKSA-N 2 1 332.492 1.754 50 0 EDAAMP Cc1[nH+]ccn1CC1(CNC(=O)c2cc(F)ccc2OCC[NH3+])CC1 ZINC000426712162 447493365 /nfs/dbraw/zinc/49/33/65/447493365.db2.gz ONBIMMHQFRFXLY-UHFFFAOYSA-N 2 1 346.406 1.878 50 0 EDAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000011957256 710100125 /nfs/dbraw/zinc/10/01/25/710100125.db2.gz CZWATOCKMQWBQG-UHFFFAOYSA-N 2 1 337.508 1.822 50 0 EDAAMP CO[C@H]1C[C@@H](CN(C)C(=O)c2c[nH]c(C3CC[NH+](C)CC3)n2)[N@@H+](C)C1 ZINC000685942449 539582280 /nfs/dbraw/zinc/58/22/80/539582280.db2.gz QIVUNDROSZVZMA-GJZGRUSLSA-N 2 1 349.479 1.010 50 0 EDAAMP CO[C@H]1C[C@@H](CN(C)C(=O)c2cnc(C3CC[NH+](C)CC3)[nH]2)[N@H+](C)C1 ZINC000685942449 539582285 /nfs/dbraw/zinc/58/22/85/539582285.db2.gz QIVUNDROSZVZMA-GJZGRUSLSA-N 2 1 349.479 1.010 50 0 EDAAMP CO[C@H]1C[C@@H](CN(C)C(=O)c2cnc(C3CC[NH+](C)CC3)[nH]2)[N@@H+](C)C1 ZINC000685942449 539582289 /nfs/dbraw/zinc/58/22/89/539582289.db2.gz QIVUNDROSZVZMA-GJZGRUSLSA-N 2 1 349.479 1.010 50 0 EDAAMP CC1(C)CC([N@H+]2CC[C@H](CNC(=O)c3cnccn3)C2)CC(C)(C)[NH2+]1 ZINC000067965543 215262955 /nfs/dbraw/zinc/26/29/55/215262955.db2.gz CBLKDYKUOOBMFO-CQSZACIVSA-N 2 1 345.491 1.838 50 0 EDAAMP CC(C)([NH3+])C(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072150500 216038343 /nfs/dbraw/zinc/03/83/43/216038343.db2.gz AZLSJYGNSVFRQQ-KRWDZBQOSA-N 2 1 330.476 1.537 50 0 EDAAMP CC(C)(CNC(=O)C[C@@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000072167459 216057329 /nfs/dbraw/zinc/05/73/29/216057329.db2.gz TYIPMEUIQULKFC-QGZVFWFLSA-N 2 1 331.460 1.318 50 0 EDAAMP C[N@H+]1CC[C@H](CNc2ncnc3c2CC[NH+](C2CCOCC2)CC3)C1 ZINC000072411518 216203535 /nfs/dbraw/zinc/20/35/35/216203535.db2.gz KKKFRPXWUKZAMJ-OAHLLOKOSA-N 2 1 345.491 1.420 50 0 EDAAMP C[NH+]1CC[C@H](CNc2ncnc3c2CC[N@@H+](C2CCOCC2)CC3)C1 ZINC000072411518 216203539 /nfs/dbraw/zinc/20/35/39/216203539.db2.gz KKKFRPXWUKZAMJ-OAHLLOKOSA-N 2 1 345.491 1.420 50 0 EDAAMP C[NH+]1CC[C@H](CNc2ncnc3c2CC[N@H+](C2CCOCC2)CC3)C1 ZINC000072411518 216203542 /nfs/dbraw/zinc/20/35/42/216203542.db2.gz KKKFRPXWUKZAMJ-OAHLLOKOSA-N 2 1 345.491 1.420 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCc1ccccn1)CC[NH+](C)CC2 ZINC000072425425 216216291 /nfs/dbraw/zinc/21/62/91/216216291.db2.gz YDBFUZWCVUAHLY-SFHVURJKSA-N 2 1 344.503 1.937 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nnc(C)o1)CC[NH+](C)CC2 ZINC000072456624 216243192 /nfs/dbraw/zinc/24/31/92/216243192.db2.gz MHLLCLXCEITLTO-HNNXBMFYSA-N 2 1 349.479 1.533 50 0 EDAAMP O[C@H]1CCC[N@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000219255674 241371665 /nfs/dbraw/zinc/37/16/65/241371665.db2.gz RKVAQDFXTYVWNN-SFHVURJKSA-N 2 1 334.460 1.744 50 0 EDAAMP O[C@H]1CCC[N@@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000219255674 241371671 /nfs/dbraw/zinc/37/16/71/241371671.db2.gz RKVAQDFXTYVWNN-SFHVURJKSA-N 2 1 334.460 1.744 50 0 EDAAMP Cc1[nH+]ccn1CC1(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244874445 243095657 /nfs/dbraw/zinc/09/56/57/243095657.db2.gz XBJXHBMHXQTHLY-BETUJISGSA-N 2 1 327.436 1.661 50 0 EDAAMP Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012468250 211390644 /nfs/dbraw/zinc/39/06/44/211390644.db2.gz MXNIDPVIWIUGFJ-HNNXBMFYSA-N 2 1 333.480 1.151 50 0 EDAAMP Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012468250 211390646 /nfs/dbraw/zinc/39/06/46/211390646.db2.gz MXNIDPVIWIUGFJ-HNNXBMFYSA-N 2 1 333.480 1.151 50 0 EDAAMP CCOC[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093419293 218225281 /nfs/dbraw/zinc/22/52/81/218225281.db2.gz ZTZUOGLLSMZVKY-MRXNPFEDSA-N 2 1 333.480 1.477 50 0 EDAAMP CCOC[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093419293 218225282 /nfs/dbraw/zinc/22/52/82/218225282.db2.gz ZTZUOGLLSMZVKY-MRXNPFEDSA-N 2 1 333.480 1.477 50 0 EDAAMP COCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000095390634 218322426 /nfs/dbraw/zinc/32/24/26/218322426.db2.gz SOOSVCCXYMKVFZ-MRXNPFEDSA-N 2 1 349.475 1.576 50 0 EDAAMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C1 ZINC000071909041 441192731 /nfs/dbraw/zinc/19/27/31/441192731.db2.gz COZDHFKPKHNAFI-GOSISDBHSA-N 2 1 330.476 1.727 50 0 EDAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)c1nn2cc(C)nc2s1 ZINC000072296154 441224818 /nfs/dbraw/zinc/22/48/18/441224818.db2.gz NZIRSEBDMVOHDX-AWEZNQCLSA-N 2 1 336.509 1.952 50 0 EDAAMP CC(C)C[N@H+]1CCCn2nc(CNC(=O)[C@@H](C)[NH+]3CCCC3)cc2C1 ZINC000082108852 441333285 /nfs/dbraw/zinc/33/32/85/441333285.db2.gz JIQXBEDJBNCGHE-MRXNPFEDSA-N 2 1 347.507 1.845 50 0 EDAAMP Cc1nn(CC[NH+]2CCSCC2)cc1C[NH2+]Cc1ccccn1 ZINC000065420580 441430692 /nfs/dbraw/zinc/43/06/92/441430692.db2.gz LMIHDXCOFAPIGN-UHFFFAOYSA-N 2 1 331.489 1.925 50 0 EDAAMP C[NH2+]C(C)(C)C(=O)NC[C@H]1CC[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067956087 441700353 /nfs/dbraw/zinc/70/03/53/441700353.db2.gz PMDDDNFDDIUZSN-CQSZACIVSA-N 3 1 338.540 1.732 50 0 EDAAMP CNc1cc(C)[nH+]c(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)n1 ZINC000095517081 441944338 /nfs/dbraw/zinc/94/43/38/441944338.db2.gz MLWKDSVPCWSWFD-INIZCTEOSA-N 2 1 327.432 1.510 50 0 EDAAMP CNc1cc(C)[nH+]c(N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)n1 ZINC000095517081 441944341 /nfs/dbraw/zinc/94/43/41/441944341.db2.gz MLWKDSVPCWSWFD-INIZCTEOSA-N 2 1 327.432 1.510 50 0 EDAAMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NCc1ccc(F)cc1 ZINC000069587759 441982141 /nfs/dbraw/zinc/98/21/41/441982141.db2.gz UKHRPACOGHWIRQ-UHFFFAOYSA-N 2 1 349.450 1.486 50 0 EDAAMP Nc1nc(N2CCC([NH+]3CCSCC3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426486058 447454196 /nfs/dbraw/zinc/45/41/96/447454196.db2.gz TUFIJTCMJPKEJE-CYBMUJFWSA-N 2 1 349.504 1.580 50 0 EDAAMP COCC[NH+]1CCN(C(=O)NCc2ccccc2C[NH+](C)C)CC1 ZINC000426551920 447469793 /nfs/dbraw/zinc/46/97/93/447469793.db2.gz BWYHEHJLGUFDEH-UHFFFAOYSA-N 2 1 334.464 1.222 50 0 EDAAMP O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000102143897 219187047 /nfs/dbraw/zinc/18/70/47/219187047.db2.gz IZENQFDUJSQECN-PIIMJCKOSA-N 2 1 343.475 1.113 50 0 EDAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cnn(C)c3C3CC3)CC[C@H]21 ZINC000072428912 216221014 /nfs/dbraw/zinc/22/10/14/216221014.db2.gz HVSNZUHLAMLXKM-DOTOQJQBSA-N 2 1 345.491 1.330 50 0 EDAAMP CN1CC[N@H+](Cc2cccc(OCCC[NH+](C)C)c2)C[C@@H]1CCO ZINC000020998364 212197650 /nfs/dbraw/zinc/19/76/50/212197650.db2.gz QJRHQDYACRFWPZ-SFHVURJKSA-N 2 1 335.492 1.516 50 0 EDAAMP CN1CC[N@@H+](Cc2cccc(OCCC[NH+](C)C)c2)C[C@@H]1CCO ZINC000020998364 212197655 /nfs/dbraw/zinc/19/76/55/212197655.db2.gz QJRHQDYACRFWPZ-SFHVURJKSA-N 2 1 335.492 1.516 50 0 EDAAMP C[NH+](C)CCCOc1cccc(CN2CC[N@@H+](C)[C@@H](CCO)C2)c1 ZINC000020998364 212197642 /nfs/dbraw/zinc/19/76/42/212197642.db2.gz QJRHQDYACRFWPZ-SFHVURJKSA-N 2 1 335.492 1.516 50 0 EDAAMP CSc1ccccc1C[N@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095354982 218288470 /nfs/dbraw/zinc/28/84/70/218288470.db2.gz LLQUFFGPVGFMKF-QZTJIDSGSA-N 2 1 349.544 1.696 50 0 EDAAMP CCc1[nH+]ccn1CCCNC(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095373590 218306778 /nfs/dbraw/zinc/30/67/78/218306778.db2.gz FKAGEZUTORWHPV-INIZCTEOSA-N 2 1 348.491 1.843 50 0 EDAAMP CCc1[nH+]ccn1CCCNC(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095373590 218306782 /nfs/dbraw/zinc/30/67/82/218306782.db2.gz FKAGEZUTORWHPV-INIZCTEOSA-N 2 1 348.491 1.843 50 0 EDAAMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047106282 441156129 /nfs/dbraw/zinc/15/61/29/441156129.db2.gz VVWPUOZZRVYSFL-IAGOWNOFSA-N 2 1 329.448 1.540 50 0 EDAAMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000075133106 441500621 /nfs/dbraw/zinc/50/06/21/441500621.db2.gz SUERFYFNFITNAW-KRWDZBQOSA-N 2 1 347.507 1.774 50 0 EDAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000075133106 441500627 /nfs/dbraw/zinc/50/06/27/441500627.db2.gz SUERFYFNFITNAW-KRWDZBQOSA-N 2 1 347.507 1.774 50 0 EDAAMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091381240 441698898 /nfs/dbraw/zinc/69/88/98/441698898.db2.gz XQUMKZCHCTWDJS-UHFFFAOYSA-N 2 1 348.491 1.669 50 0 EDAAMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000178719650 442462152 /nfs/dbraw/zinc/46/21/52/442462152.db2.gz HCIIGLWYNCFEDX-RKVPGOIHSA-N 2 1 331.460 1.664 50 0 EDAAMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccnc(C)c2)CC1=O ZINC000195530214 443029602 /nfs/dbraw/zinc/02/96/02/443029602.db2.gz DUPXHTQKKDPCOK-GOEBONIOSA-N 2 1 330.432 1.661 50 0 EDAAMP CCN1C(=O)[C@H]2CC3(CN2C1=O)CC[NH+](C1CC[NH+](CC)CC1)CC3 ZINC000257180203 443118448 /nfs/dbraw/zinc/11/84/48/443118448.db2.gz KHHNBPKCRMXIHX-MRXNPFEDSA-N 2 1 348.491 1.609 50 0 EDAAMP CN1CCC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)CC12CC[NH2+]CC2 ZINC000534676758 448465140 /nfs/dbraw/zinc/46/51/40/448465140.db2.gz ZKISKRSRSMYRPM-UHFFFAOYSA-N 2 1 340.471 1.788 50 0 EDAAMP CC[C@@H](O)C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639503143 451909826 /nfs/dbraw/zinc/90/98/26/451909826.db2.gz BNEVFIUJSSUDBN-WOJBJXKFSA-N 2 1 347.503 1.012 50 0 EDAAMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C2 ZINC000685940964 539580212 /nfs/dbraw/zinc/58/02/12/539580212.db2.gz MEJBJEZLTDKOKS-YWTNHNAXSA-N 2 1 331.460 1.355 50 0 EDAAMP Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](Cc4nccn4C)C3)C2=O)cn1 ZINC000104320969 219373774 /nfs/dbraw/zinc/37/37/74/219373774.db2.gz WQNINEUDOUXFFB-GOEBONIOSA-N 2 1 342.447 1.214 50 0 EDAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)CC[C@H]21 ZINC000072419095 216207381 /nfs/dbraw/zinc/20/73/81/216207381.db2.gz KHMQEQAKYMZFOE-WMLDXEAASA-N 2 1 341.459 1.595 50 0 EDAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)CC[C@H]21 ZINC000072419095 216207383 /nfs/dbraw/zinc/20/73/83/216207383.db2.gz KHMQEQAKYMZFOE-WMLDXEAASA-N 2 1 341.459 1.595 50 0 EDAAMP Cc1[nH+]cn(CC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)c1C ZINC000243892411 243029598 /nfs/dbraw/zinc/02/95/98/243029598.db2.gz AHXRNELUZRTLIK-UHFFFAOYSA-N 2 1 327.432 1.942 50 0 EDAAMP C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC000095397204 218328680 /nfs/dbraw/zinc/32/86/80/218328680.db2.gz QPPBABHCDLIJNO-OAHLLOKOSA-N 2 1 348.466 1.601 50 0 EDAAMP C[C@H](C(=O)N1CCC[N@H+](C2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000096437090 278138898 /nfs/dbraw/zinc/13/88/98/278138898.db2.gz DZTIYQJGAKMYJT-QGZVFWFLSA-N 2 1 337.508 1.964 50 0 EDAAMP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000069979377 441100705 /nfs/dbraw/zinc/10/07/05/441100705.db2.gz SWEGZAOIEKBPOW-MRXNPFEDSA-N 2 1 336.480 1.523 50 0 EDAAMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000071883696 441183914 /nfs/dbraw/zinc/18/39/14/441183914.db2.gz XJRHEDWNBPTBMT-SFHVURJKSA-N 2 1 330.476 1.990 50 0 EDAAMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000071883696 441183920 /nfs/dbraw/zinc/18/39/20/441183920.db2.gz XJRHEDWNBPTBMT-SFHVURJKSA-N 2 1 330.476 1.990 50 0 EDAAMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000048184916 441269317 /nfs/dbraw/zinc/26/93/17/441269317.db2.gz DLCOMBIJPAYLJK-UHFFFAOYSA-N 2 1 335.496 1.336 50 0 EDAAMP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C[NH+]1CCOCC1 ZINC000074371861 441428544 /nfs/dbraw/zinc/42/85/44/441428544.db2.gz TXEOJLGXDGAEGB-XYTVBORESA-N 2 1 338.496 1.269 50 0 EDAAMP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C[NH+]1CCOCC1 ZINC000074371861 441428549 /nfs/dbraw/zinc/42/85/49/441428549.db2.gz TXEOJLGXDGAEGB-XYTVBORESA-N 2 1 338.496 1.269 50 0 EDAAMP Cn1c(C[NH+]2CCCCCC2)nnc1C1CCN(C(=O)CC[NH3+])CC1 ZINC000091380748 441698586 /nfs/dbraw/zinc/69/85/86/441698586.db2.gz PUPIDGKWJAQSCU-UHFFFAOYSA-N 2 1 348.495 1.246 50 0 EDAAMP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077485378 441789337 /nfs/dbraw/zinc/78/93/37/441789337.db2.gz IUKZFLAOYPPSFC-LJQANCHMSA-N 2 1 345.487 1.532 50 0 EDAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000069739706 442026966 /nfs/dbraw/zinc/02/69/66/442026966.db2.gz UQRJBIDZBLAEKG-OLZOCXBDSA-N 2 1 340.493 1.495 50 0 EDAAMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000247516558 442859670 /nfs/dbraw/zinc/85/96/70/442859670.db2.gz VVTVNNZCMSNXIU-IPMKNSEASA-N 2 1 343.471 1.630 50 0 EDAAMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000247516558 442859675 /nfs/dbraw/zinc/85/96/75/442859675.db2.gz VVTVNNZCMSNXIU-IPMKNSEASA-N 2 1 343.471 1.630 50 0 EDAAMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000247516558 442859679 /nfs/dbraw/zinc/85/96/79/442859679.db2.gz VVTVNNZCMSNXIU-IPMKNSEASA-N 2 1 343.471 1.630 50 0 EDAAMP NC(=O)NC(=O)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280611637 443737763 /nfs/dbraw/zinc/73/77/63/443737763.db2.gz XQYBUWSGHZZELR-IYBDPMFKSA-N 2 1 330.432 1.025 50 0 EDAAMP NC(=O)NC(=O)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280611637 443737767 /nfs/dbraw/zinc/73/77/67/443737767.db2.gz XQYBUWSGHZZELR-IYBDPMFKSA-N 2 1 330.432 1.025 50 0 EDAAMP CN(CC1(CO)CCC1)C(=O)C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000584888671 448665528 /nfs/dbraw/zinc/66/55/28/448665528.db2.gz HOJBMROVONYWAL-UHFFFAOYSA-N 2 1 337.508 1.414 50 0 EDAAMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncnc3OC)C2)[C@H]1C(C)C ZINC000685940970 539580445 /nfs/dbraw/zinc/58/04/45/539580445.db2.gz MKGOGGCBHBFXMW-KONPQCLYSA-N 2 1 334.464 1.445 50 0 EDAAMP CC[C@H](C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1)n1cccn1 ZINC000067757184 215204835 /nfs/dbraw/zinc/20/48/35/215204835.db2.gz XUZLYWMEWHBMFO-MRXNPFEDSA-N 2 1 333.480 1.463 50 0 EDAAMP [NH3+]CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072165221 216054279 /nfs/dbraw/zinc/05/42/79/216054279.db2.gz WSBGNTYADNLTPQ-HNNXBMFYSA-N 2 1 334.439 1.288 50 0 EDAAMP CC(C)(CNC(=O)C[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000072167460 216056788 /nfs/dbraw/zinc/05/67/88/216056788.db2.gz TYIPMEUIQULKFC-KRWDZBQOSA-N 2 1 331.460 1.318 50 0 EDAAMP [NH3+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000072422107 216209760 /nfs/dbraw/zinc/20/97/60/216209760.db2.gz UXDBXSQCKIWIKR-MAUKXSAKSA-N 2 1 326.444 1.940 50 0 EDAAMP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000012304957 211338584 /nfs/dbraw/zinc/33/85/84/211338584.db2.gz VNGVWOAZEWPRLQ-OAHLLOKOSA-N 2 1 344.463 1.944 50 0 EDAAMP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)[nH]n1 ZINC000012304957 211338593 /nfs/dbraw/zinc/33/85/93/211338593.db2.gz VNGVWOAZEWPRLQ-OAHLLOKOSA-N 2 1 344.463 1.944 50 0 EDAAMP C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091351209 217997344 /nfs/dbraw/zinc/99/73/44/217997344.db2.gz MFCQMODMQIZQHI-IBGZPJMESA-N 2 1 328.460 1.995 50 0 EDAAMP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000095359283 218293094 /nfs/dbraw/zinc/29/30/94/218293094.db2.gz ITMGWOOTIWNZFU-ZDUSSCGKSA-N 2 1 333.407 1.725 50 0 EDAAMP COCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000095359283 218293096 /nfs/dbraw/zinc/29/30/96/218293096.db2.gz ITMGWOOTIWNZFU-ZDUSSCGKSA-N 2 1 333.407 1.725 50 0 EDAAMP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](CCn2cccc2)CC1 ZINC000095378061 218310832 /nfs/dbraw/zinc/31/08/32/218310832.db2.gz HFFLZYSQECWWGS-SFHVURJKSA-N 2 1 332.492 1.897 50 0 EDAAMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](CCn2cccc2)CC1 ZINC000095378061 218310834 /nfs/dbraw/zinc/31/08/34/218310834.db2.gz HFFLZYSQECWWGS-SFHVURJKSA-N 2 1 332.492 1.897 50 0 EDAAMP C[NH+]1CCN(c2ncc(C[NH2+]CCNc3ccccc3)cn2)CC1 ZINC000095416707 218355409 /nfs/dbraw/zinc/35/54/09/218355409.db2.gz VUOWPSVVNFKENJ-UHFFFAOYSA-N 2 1 326.448 1.430 50 0 EDAAMP CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000299796488 258101010 /nfs/dbraw/zinc/10/10/10/258101010.db2.gz OUEXSVDXOPKSMQ-ZFWWWQNUSA-N 2 1 341.839 1.126 50 0 EDAAMP CCCC[N@H+]1CCn2nc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2C1 ZINC000299801899 258105003 /nfs/dbraw/zinc/10/50/03/258105003.db2.gz QRDMVFVHBRRQLE-KRWDZBQOSA-N 2 1 345.491 1.505 50 0 EDAAMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000106519122 441349192 /nfs/dbraw/zinc/34/91/92/441349192.db2.gz KBCFGHJDFUENKT-OALUTQOASA-N 2 1 343.471 1.875 50 0 EDAAMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781214 441370372 /nfs/dbraw/zinc/37/03/72/441370372.db2.gz LOJFWGYZHALMSJ-FUHWJXTLSA-N 2 1 339.524 1.802 50 0 EDAAMP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)on1 ZINC000106781256 441370689 /nfs/dbraw/zinc/37/06/89/441370689.db2.gz DCTCNAJYDLOMPG-UONOGXRCSA-N 2 1 338.452 1.335 50 0 EDAAMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000187747986 442690460 /nfs/dbraw/zinc/69/04/60/442690460.db2.gz FHSUONQDRIZMHZ-HZPDHXFCSA-N 2 1 340.512 1.205 50 0 EDAAMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000187747986 442690461 /nfs/dbraw/zinc/69/04/61/442690461.db2.gz FHSUONQDRIZMHZ-HZPDHXFCSA-N 2 1 340.512 1.205 50 0 EDAAMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000187747986 442690464 /nfs/dbraw/zinc/69/04/64/442690464.db2.gz FHSUONQDRIZMHZ-HZPDHXFCSA-N 2 1 340.512 1.205 50 0 EDAAMP CCn1c(CN(C)CCCc2[nH+]ccn2C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223242432 443087177 /nfs/dbraw/zinc/08/71/77/443087177.db2.gz IMVHPODXFTULKI-HDJSIYSDSA-N 2 1 331.468 1.301 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000237626519 443177392 /nfs/dbraw/zinc/17/73/92/443177392.db2.gz GLOHCWBGKASRBQ-GASCZTMLSA-N 2 1 331.460 1.859 50 0 EDAAMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000237626519 443177394 /nfs/dbraw/zinc/17/73/94/443177394.db2.gz GLOHCWBGKASRBQ-GASCZTMLSA-N 2 1 331.460 1.859 50 0 EDAAMP C[N@@H+]1CCC[C@@H]1CNCc1ccccc1OCC(=O)N1CCCC1 ZINC000237081634 443158061 /nfs/dbraw/zinc/15/80/61/443158061.db2.gz YZNWQNQSYMTMPP-QGZVFWFLSA-N 2 1 331.460 1.872 50 0 EDAAMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)CC2 ZINC000299740249 444129514 /nfs/dbraw/zinc/12/95/14/444129514.db2.gz XOCZLVRVQRQIHD-HOCLYGCPSA-N 2 1 347.459 1.306 50 0 EDAAMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)CC2 ZINC000299740249 444129516 /nfs/dbraw/zinc/12/95/16/444129516.db2.gz XOCZLVRVQRQIHD-HOCLYGCPSA-N 2 1 347.459 1.306 50 0 EDAAMP Nc1nc(NCC2CC[NH+](C3CCCC3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426571460 447472934 /nfs/dbraw/zinc/47/29/34/447472934.db2.gz JDTNHLNWLWAFKT-OAHLLOKOSA-N 2 1 345.491 2.051 50 0 EDAAMP CN1CC[N@@H+](C)CC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000863948079 596724798 /nfs/dbraw/zinc/72/47/98/596724798.db2.gz BUEJXYJURUOXNJ-UHFFFAOYSA-N 2 1 336.524 1.251 50 0 EDAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](Cn3cc(CCO)nn3)C2)CC1 ZINC000055384437 214315591 /nfs/dbraw/zinc/31/55/91/214315591.db2.gz PDNAYQGOEUHVAJ-MRXNPFEDSA-N 2 1 335.496 1.399 50 0 EDAAMP CC[C@@H](C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1)n1cccn1 ZINC000067757181 215204926 /nfs/dbraw/zinc/20/49/26/215204926.db2.gz XUZLYWMEWHBMFO-INIZCTEOSA-N 2 1 333.480 1.463 50 0 EDAAMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)on1 ZINC000072447438 216238067 /nfs/dbraw/zinc/23/80/67/216238067.db2.gz UCVHZKYZJIJKJU-FUHWJXTLSA-N 2 1 346.475 1.796 50 0 EDAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](C3CCCC3)CC2)C1)N1CCOCC1 ZINC000082127711 296106816 /nfs/dbraw/zinc/10/68/16/296106816.db2.gz BASDYCHIQBLOHY-KRWDZBQOSA-N 2 1 349.519 1.964 50 0 EDAAMP Cc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c(C)c1 ZINC000091965951 218095846 /nfs/dbraw/zinc/09/58/46/218095846.db2.gz HPPQZSARRHXZGN-NHCUHLMSSA-N 2 1 345.531 1.981 50 0 EDAAMP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c(C)c1 ZINC000091965951 218095848 /nfs/dbraw/zinc/09/58/48/218095848.db2.gz HPPQZSARRHXZGN-NHCUHLMSSA-N 2 1 345.531 1.981 50 0 EDAAMP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c(C)c1 ZINC000091965951 218095850 /nfs/dbraw/zinc/09/58/50/218095850.db2.gz HPPQZSARRHXZGN-NHCUHLMSSA-N 2 1 345.531 1.981 50 0 EDAAMP [NH3+]C1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000299803804 258105863 /nfs/dbraw/zinc/10/58/63/258105863.db2.gz DSSWCPCUSGCGSA-UHFFFAOYSA-N 2 1 339.443 1.668 50 0 EDAAMP C[NH+](C)CCCOc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097532540 441140477 /nfs/dbraw/zinc/14/04/77/441140477.db2.gz NXVQRYBTINDBEX-LJQANCHMSA-N 3 1 346.519 1.497 50 0 EDAAMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](Cn2cncn2)C1 ZINC000069698056 442012119 /nfs/dbraw/zinc/01/21/19/442012119.db2.gz CMQKMFMJZOSTBE-OALUTQOASA-N 2 1 343.475 1.483 50 0 EDAAMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](Cn2cncn2)C1 ZINC000069698056 442012123 /nfs/dbraw/zinc/01/21/23/442012123.db2.gz CMQKMFMJZOSTBE-OALUTQOASA-N 2 1 343.475 1.483 50 0 EDAAMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069698056 442012126 /nfs/dbraw/zinc/01/21/26/442012126.db2.gz CMQKMFMJZOSTBE-OALUTQOASA-N 2 1 343.475 1.483 50 0 EDAAMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069698056 442012130 /nfs/dbraw/zinc/01/21/30/442012130.db2.gz CMQKMFMJZOSTBE-OALUTQOASA-N 2 1 343.475 1.483 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000069739705 442027445 /nfs/dbraw/zinc/02/74/45/442027445.db2.gz UQRJBIDZBLAEKG-STQMWFEESA-N 2 1 340.493 1.495 50 0 EDAAMP COC[C@@H](O)C[NH+]1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000193057000 442708866 /nfs/dbraw/zinc/70/88/66/442708866.db2.gz LAMWRRUQSZALML-QFBILLFUSA-N 2 1 333.476 1.995 50 0 EDAAMP Cc1nn(C)cc1C[NH+]1CCC2(CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000257191386 443121358 /nfs/dbraw/zinc/12/13/58/443121358.db2.gz QETZDYMOHRGCDS-GOSISDBHSA-N 2 1 348.491 1.574 50 0 EDAAMP C[C@H](CC[NH+]1CCOCC1)NC(=O)CC[NH+]1CCCCCCC1 ZINC000055168977 214283605 /nfs/dbraw/zinc/28/36/05/214283605.db2.gz YRASXSFUKMMAIP-QGZVFWFLSA-N 2 1 325.497 1.870 50 0 EDAAMP CC(=O)N1CCC[N@H+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000023379728 212372066 /nfs/dbraw/zinc/37/20/66/212372066.db2.gz OCUBHDVUTLWAGB-MOPGFXCFSA-N 2 1 343.471 1.278 50 0 EDAAMP OC[C@@]1(O)CC[N@@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000216505601 241199510 /nfs/dbraw/zinc/19/95/10/241199510.db2.gz NNCSUKLYYDQIQL-HXUWFJFHSA-N 2 1 348.487 1.871 50 0 EDAAMP Nc1nc(N2CC[NH+](C3CCCCC3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244887814 243097736 /nfs/dbraw/zinc/09/77/36/243097736.db2.gz YPAOPZSEISLXHE-OTVXOJSOSA-N 2 1 331.464 1.752 50 0 EDAAMP CC(C)[C@H]1CN(c2nc(N)cc[nH+]2)C[C@@H]1NC(=O)C1(C)CC[NH2+]CC1 ZINC000091656485 218040691 /nfs/dbraw/zinc/04/06/91/218040691.db2.gz RCQMNZUZHRCVKI-KGLIPLIRSA-N 2 1 346.479 1.026 50 0 EDAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)C[C@H](O)CO)CC1 ZINC000011957156 441125356 /nfs/dbraw/zinc/12/53/56/441125356.db2.gz ZUZKSQLYCJIETH-SFHVURJKSA-N 2 1 336.476 1.235 50 0 EDAAMP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071404120 441145438 /nfs/dbraw/zinc/14/54/38/441145438.db2.gz SBNWSPDRJJIIDY-OAHLLOKOSA-N 2 1 333.480 1.483 50 0 EDAAMP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071404120 441145441 /nfs/dbraw/zinc/14/54/41/441145441.db2.gz SBNWSPDRJJIIDY-OAHLLOKOSA-N 2 1 333.480 1.483 50 0 EDAAMP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000071439686 441146975 /nfs/dbraw/zinc/14/69/75/441146975.db2.gz KOUJYFMPYDXPAK-KRWDZBQOSA-N 2 1 330.476 1.812 50 0 EDAAMP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000071439686 441146978 /nfs/dbraw/zinc/14/69/78/441146978.db2.gz KOUJYFMPYDXPAK-KRWDZBQOSA-N 2 1 330.476 1.812 50 0 EDAAMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OC ZINC000013733040 441166323 /nfs/dbraw/zinc/16/63/23/441166323.db2.gz QBLLJIHQCHFORS-UHFFFAOYSA-N 2 1 347.253 1.528 50 0 EDAAMP CN(Cc1cccnc1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071752761 441152121 /nfs/dbraw/zinc/15/21/21/441152121.db2.gz CPWXQOSNIVJSGJ-QGZVFWFLSA-N 2 1 330.476 1.846 50 0 EDAAMP CN(Cc1cccnc1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071752761 441152125 /nfs/dbraw/zinc/15/21/25/441152125.db2.gz CPWXQOSNIVJSGJ-QGZVFWFLSA-N 2 1 330.476 1.846 50 0 EDAAMP C[N@@H+](CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Cc1ccccc1 ZINC000101386086 441155663 /nfs/dbraw/zinc/15/56/63/441155663.db2.gz NLLONOREDMOJFD-GOSISDBHSA-N 2 1 328.460 1.774 50 0 EDAAMP CN(C)c1nc(NCc2cc3n(n2)CCC[NH2+]C3)c2c([nH+]1)CCCC2 ZINC000082161145 441337482 /nfs/dbraw/zinc/33/74/82/441337482.db2.gz ZHVFTLYNUZEBGI-UHFFFAOYSA-N 2 1 341.463 1.723 50 0 EDAAMP C[C@@H]1CN(CCCNc2cc(N3CCC[C@H]3CO)ncn2)C[C@@H](C)O1 ZINC000106905848 441386647 /nfs/dbraw/zinc/38/66/47/441386647.db2.gz PMXVGGKJQJTLFR-OAGGEKHMSA-N 2 1 349.479 1.349 50 0 EDAAMP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H](O)C1)C1CCCC1 ZINC000108275981 441439409 /nfs/dbraw/zinc/43/94/09/441439409.db2.gz SJKIZLMWJGQPSX-LJQANCHMSA-N 2 1 345.487 1.566 50 0 EDAAMP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H](O)C1)C1CCCC1 ZINC000108275981 441439414 /nfs/dbraw/zinc/43/94/14/441439414.db2.gz SJKIZLMWJGQPSX-LJQANCHMSA-N 2 1 345.487 1.566 50 0 EDAAMP C[NH+](CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1)C1CCCC1 ZINC000108275981 441439419 /nfs/dbraw/zinc/43/94/19/441439419.db2.gz SJKIZLMWJGQPSX-LJQANCHMSA-N 2 1 345.487 1.566 50 0 EDAAMP C[NH+](CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1)C1CCCC1 ZINC000108275981 441439422 /nfs/dbraw/zinc/43/94/22/441439422.db2.gz SJKIZLMWJGQPSX-LJQANCHMSA-N 2 1 345.487 1.566 50 0 EDAAMP Cc1c[nH+]ccc1N1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426438643 447444978 /nfs/dbraw/zinc/44/49/78/447444978.db2.gz LEQUCZAKXIASLR-AWEZNQCLSA-N 2 1 340.431 1.593 50 0 EDAAMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000194900015 442966623 /nfs/dbraw/zinc/96/66/23/442966623.db2.gz BVLCQYWRFXJTPK-OWCLPIDISA-N 2 1 338.496 1.221 50 0 EDAAMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000194900015 442966628 /nfs/dbraw/zinc/96/66/28/442966628.db2.gz BVLCQYWRFXJTPK-OWCLPIDISA-N 2 1 338.496 1.221 50 0 EDAAMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000194900015 442966632 /nfs/dbraw/zinc/96/66/32/442966632.db2.gz BVLCQYWRFXJTPK-OWCLPIDISA-N 2 1 338.496 1.221 50 0 EDAAMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000194900015 442966636 /nfs/dbraw/zinc/96/66/36/442966636.db2.gz BVLCQYWRFXJTPK-OWCLPIDISA-N 2 1 338.496 1.221 50 0 EDAAMP c1ccc(N2CCN(CC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000252478799 443026225 /nfs/dbraw/zinc/02/62/25/443026225.db2.gz AVGHRFIEHRUQIP-HXUWFJFHSA-N 2 1 328.504 1.884 50 0 EDAAMP c1ccc(N2CCN(CC[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000252478799 443026228 /nfs/dbraw/zinc/02/62/28/443026228.db2.gz AVGHRFIEHRUQIP-HXUWFJFHSA-N 2 1 328.504 1.884 50 0 EDAAMP CN(C)c1ncc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)cn1 ZINC000222878053 443082629 /nfs/dbraw/zinc/08/26/29/443082629.db2.gz CTXVHXIYCBHMAJ-UHFFFAOYSA-N 2 1 333.480 1.213 50 0 EDAAMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000585141970 448711004 /nfs/dbraw/zinc/71/10/04/448711004.db2.gz JYMDRZGBCKYAHU-QGZVFWFLSA-N 2 1 338.427 1.125 50 0 EDAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000585141970 448711008 /nfs/dbraw/zinc/71/10/08/448711008.db2.gz JYMDRZGBCKYAHU-QGZVFWFLSA-N 2 1 338.427 1.125 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1c(C)n[nH]c1C)CC[NH+](C)CC2 ZINC000072426525 216217704 /nfs/dbraw/zinc/21/77/04/216217704.db2.gz KHXSHTLYNPYDSY-QGZVFWFLSA-N 2 1 347.507 1.839 50 0 EDAAMP [NH3+]CCCN1C(=O)CC[C@H]2C[N@H+](CCOCc3ccccc3)CC[C@H]21 ZINC000072478342 216256359 /nfs/dbraw/zinc/25/63/59/216256359.db2.gz MEWACDJVUQDTDO-RBUKOAKNSA-N 2 1 345.487 1.865 50 0 EDAAMP COc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(OC)c1 ZINC000019889829 212080079 /nfs/dbraw/zinc/08/00/79/212080079.db2.gz FRRJTMZPMJHJNC-UHFFFAOYSA-N 2 1 333.476 1.916 50 0 EDAAMP C[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(=O)c4ccccc4[nH]3)C2)CC1 ZINC000097347016 219013868 /nfs/dbraw/zinc/01/38/68/219013868.db2.gz SOINMBLPWXFPAI-INIZCTEOSA-N 2 1 326.444 1.350 50 0 EDAAMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(=O)c4ccccc4[nH]3)C2)CC1 ZINC000097347016 219013869 /nfs/dbraw/zinc/01/38/69/219013869.db2.gz SOINMBLPWXFPAI-INIZCTEOSA-N 2 1 326.444 1.350 50 0 EDAAMP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)CC1CC[NH+](CCO)CC1 ZINC000069974317 258063711 /nfs/dbraw/zinc/06/37/11/258063711.db2.gz ZCFCWMUSZTWHSP-KRWDZBQOSA-N 2 1 328.403 1.634 50 0 EDAAMP CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067894230 278081713 /nfs/dbraw/zinc/08/17/13/278081713.db2.gz WOXIZYMYNQFMQU-INIZCTEOSA-N 2 1 347.507 1.806 50 0 EDAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1 ZINC000077504415 295240708 /nfs/dbraw/zinc/24/07/08/295240708.db2.gz JPCFZULKIKIGAQ-HXUWFJFHSA-N 2 1 345.487 1.385 50 0 EDAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000032751477 441568978 /nfs/dbraw/zinc/56/89/78/441568978.db2.gz HWOWLKXVKBASBR-UHFFFAOYSA-N 2 1 346.475 1.224 50 0 EDAAMP Cc1cnc(CN2C[C@]3(CCC[N@H+](CC(C)(C)[NH3+])C3)CCC2=O)cn1 ZINC000077517228 441796999 /nfs/dbraw/zinc/79/69/99/441796999.db2.gz ZIKRWCGHBMOBSQ-LJQANCHMSA-N 2 1 345.491 1.727 50 0 EDAAMP Cc1cnc(CN2C[C@]3(CCC[N@@H+](CC(C)(C)[NH3+])C3)CCC2=O)cn1 ZINC000077517228 441797003 /nfs/dbraw/zinc/79/70/03/441797003.db2.gz ZIKRWCGHBMOBSQ-LJQANCHMSA-N 2 1 345.491 1.727 50 0 EDAAMP CN(C)C(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069510440 441958952 /nfs/dbraw/zinc/95/89/52/441958952.db2.gz ZLRQBMGUWXDZED-IBGZPJMESA-N 2 1 347.503 1.842 50 0 EDAAMP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nc(Cc3ccccc3)no2)CC1 ZINC000069810388 442046317 /nfs/dbraw/zinc/04/63/17/442046317.db2.gz PUJUDIFATGKLAF-OAHLLOKOSA-N 2 1 344.459 1.843 50 0 EDAAMP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069818223 442049083 /nfs/dbraw/zinc/04/90/83/442049083.db2.gz LOJFWGYZHALMSJ-AEFFLSMTSA-N 2 1 339.524 1.802 50 0 EDAAMP O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192735767 442682119 /nfs/dbraw/zinc/68/21/19/442682119.db2.gz JEXRVTRLSMPWBY-MRXNPFEDSA-N 2 1 329.510 1.266 50 0 EDAAMP OCC[N@@H+]1CCc2nnc([C@@H]3CC[NH+](Cc4ccccc4)C3)n2CC1 ZINC000257185456 443119873 /nfs/dbraw/zinc/11/98/73/443119873.db2.gz JNOPQBABZITGQI-QGZVFWFLSA-N 2 1 341.459 1.118 50 0 EDAAMP OCC[NH+]1CCc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2CC1 ZINC000257185456 443119875 /nfs/dbraw/zinc/11/98/75/443119875.db2.gz JNOPQBABZITGQI-QGZVFWFLSA-N 2 1 341.459 1.118 50 0 EDAAMP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000067690992 215186087 /nfs/dbraw/zinc/18/60/87/215186087.db2.gz ZYLLFSUJACQPJI-GOSISDBHSA-N 2 1 330.476 1.752 50 0 EDAAMP Cc1ccc2nc(CN(C)C(=O)[C@H]3CC4(C[NH2+]3)CC[NH2+]CC4)[nH]c2c1 ZINC000072168686 216059203 /nfs/dbraw/zinc/05/92/03/216059203.db2.gz PIOXNTCRESOLDB-MRXNPFEDSA-N 2 1 341.459 1.561 50 0 EDAAMP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000072280443 216107862 /nfs/dbraw/zinc/10/78/62/216107862.db2.gz HNWLRUXGCRTFOM-IBGZPJMESA-N 2 1 344.503 1.405 50 0 EDAAMP CCN1CC[NH+](CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000072280443 216107864 /nfs/dbraw/zinc/10/78/64/216107864.db2.gz HNWLRUXGCRTFOM-IBGZPJMESA-N 2 1 344.503 1.405 50 0 EDAAMP CCN1CC[NH+](CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000072280443 216107868 /nfs/dbraw/zinc/10/78/68/216107868.db2.gz HNWLRUXGCRTFOM-IBGZPJMESA-N 2 1 344.503 1.405 50 0 EDAAMP C[C@@H](C(=O)Nc1ccccn1)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000244787651 243080916 /nfs/dbraw/zinc/08/09/16/243080916.db2.gz QAUWWLDKKDLCIF-HNNXBMFYSA-N 2 1 331.464 1.168 50 0 EDAAMP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000019334644 212017107 /nfs/dbraw/zinc/01/71/07/212017107.db2.gz UHTPUKZQZTTWQS-FQEVSTJZSA-N 2 1 331.504 1.958 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccon3)C2)CC1 ZINC000011816586 211250462 /nfs/dbraw/zinc/25/04/62/211250462.db2.gz ZLNSEJKBUNSALF-HNNXBMFYSA-N 2 1 334.464 1.876 50 0 EDAAMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000119396443 221311808 /nfs/dbraw/zinc/31/18/08/221311808.db2.gz NYFNQZMCLCJGAF-YOEHRIQHSA-N 2 1 346.475 1.485 50 0 EDAAMP C[N@@H+]1CCN(C(=O)CN2CCC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000299792954 258098054 /nfs/dbraw/zinc/09/80/54/258098054.db2.gz GQCRYBXWJBVBHW-GOSISDBHSA-N 2 1 330.476 1.139 50 0 EDAAMP C[N@H+]1CCN(C(=O)CN2CCC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000299792954 258098056 /nfs/dbraw/zinc/09/80/56/258098056.db2.gz GQCRYBXWJBVBHW-GOSISDBHSA-N 2 1 330.476 1.139 50 0 EDAAMP C[NH+]1CCN(C(=O)CN2CCC[N@H+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000299792954 258098057 /nfs/dbraw/zinc/09/80/57/258098057.db2.gz GQCRYBXWJBVBHW-GOSISDBHSA-N 2 1 330.476 1.139 50 0 EDAAMP C[NH+]1CCN(C(=O)CN2CCC[N@@H+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000299792954 258098059 /nfs/dbraw/zinc/09/80/59/258098059.db2.gz GQCRYBXWJBVBHW-GOSISDBHSA-N 2 1 330.476 1.139 50 0 EDAAMP CCCNc1ncc(C[N@@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000067975571 276018951 /nfs/dbraw/zinc/01/89/51/276018951.db2.gz XQVNTBYLWSECMS-UHFFFAOYSA-N 2 1 332.496 1.510 50 0 EDAAMP CCCNc1ncc(C[N@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000067975571 276018952 /nfs/dbraw/zinc/01/89/52/276018952.db2.gz XQVNTBYLWSECMS-UHFFFAOYSA-N 2 1 332.496 1.510 50 0 EDAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cncn3C(C)C)CC[C@H]21 ZINC000072423413 277023994 /nfs/dbraw/zinc/02/39/94/277023994.db2.gz HBVCLUVTRQQDPP-DOTOQJQBSA-N 2 1 333.480 1.496 50 0 EDAAMP CN1CCC[N@@H+](C[C@H]2COc3ccccc3O2)CC12CC[NH2+]CC2 ZINC000252479586 277051955 /nfs/dbraw/zinc/05/19/55/277051955.db2.gz BICQLPCXTHLZKW-INIZCTEOSA-N 2 1 331.460 1.586 50 0 EDAAMP Cc1ccn(CCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071763250 441152445 /nfs/dbraw/zinc/15/24/45/441152445.db2.gz IXRTZSAQBYCTII-MRXNPFEDSA-N 2 1 333.480 1.114 50 0 EDAAMP Cc1ccn(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071763250 441152449 /nfs/dbraw/zinc/15/24/49/441152449.db2.gz IXRTZSAQBYCTII-MRXNPFEDSA-N 2 1 333.480 1.114 50 0 EDAAMP Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000106785679 441370285 /nfs/dbraw/zinc/37/02/85/441370285.db2.gz CWVSQYGHMQMEHV-OALUTQOASA-N 2 1 349.523 1.700 50 0 EDAAMP Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000106785679 441370291 /nfs/dbraw/zinc/37/02/91/441370291.db2.gz CWVSQYGHMQMEHV-OALUTQOASA-N 2 1 349.523 1.700 50 0 EDAAMP [NH3+]CCc1nc2ccccc2c(NCCC[N@H+]2CCC[C@H](CO)C2)n1 ZINC000065383754 441421845 /nfs/dbraw/zinc/42/18/45/441421845.db2.gz ZFGZYRNWWLOFHQ-HNNXBMFYSA-N 2 1 343.475 1.637 50 0 EDAAMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000090581893 441637061 /nfs/dbraw/zinc/63/70/61/441637061.db2.gz YTAFLBJJILSQGS-TZMCWYRMSA-N 2 1 345.534 1.655 50 0 EDAAMP CCOCC[N@H+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000069706762 442019164 /nfs/dbraw/zinc/01/91/64/442019164.db2.gz AKKNGPIBEYLNCI-ZWKOTPCHSA-N 2 1 327.513 1.122 50 0 EDAAMP Cc1[nH+]ccn1CCC[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000096485953 442141569 /nfs/dbraw/zinc/14/15/69/442141569.db2.gz KBUAWIRPBSBTOW-UHFFFAOYSA-N 2 1 334.464 1.543 50 0 EDAAMP C[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)[N@@H+](C)C1CCCCC1 ZINC000584898186 448671036 /nfs/dbraw/zinc/67/10/36/448671036.db2.gz IDNFWNOLRNGURZ-OAHLLOKOSA-N 2 1 325.497 1.555 50 0 EDAAMP Cc1nc(CC[NH3+])cc(N2CCC[N@@H+](Cc3ccncc3)CC2)n1 ZINC000067884776 215240673 /nfs/dbraw/zinc/24/06/73/215240673.db2.gz AEISRPBKTFLTMY-UHFFFAOYSA-N 2 1 326.448 1.394 50 0 EDAAMP CC[N@@H+](C[C@H](O)CO)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012199050 211318415 /nfs/dbraw/zinc/31/84/15/211318415.db2.gz BYFSZLZFBQIJBE-FQEVSTJZSA-N 2 1 334.504 1.925 50 0 EDAAMP COc1cccc(N2CCC([N@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)CC2)c1 ZINC000091694981 218049762 /nfs/dbraw/zinc/04/97/62/218049762.db2.gz WSDTVPFLMOQLHB-JXFKEZNVSA-N 2 1 345.487 1.710 50 0 EDAAMP Cc1nc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)co1 ZINC000091757505 218060182 /nfs/dbraw/zinc/06/01/82/218060182.db2.gz HGDDLXZNVFZYSZ-KRWDZBQOSA-N 2 1 346.475 1.892 50 0 EDAAMP Cc1nc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)co1 ZINC000091757505 218060185 /nfs/dbraw/zinc/06/01/85/218060185.db2.gz HGDDLXZNVFZYSZ-KRWDZBQOSA-N 2 1 346.475 1.892 50 0 EDAAMP O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097463529 219025528 /nfs/dbraw/zinc/02/55/28/219025528.db2.gz IVBXTBIZRLKYLI-OAHLLOKOSA-N 2 1 335.448 1.310 50 0 EDAAMP CC[C@@H](c1nnc(SCC[NH2+]CCO)n1-c1ccccc1)[NH+](C)C ZINC000002655153 440870457 /nfs/dbraw/zinc/87/04/57/440870457.db2.gz DNOIYAVSOTUVGU-HNNXBMFYSA-N 2 1 349.504 1.954 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccncn3)C2)CC1 ZINC000071763454 441152638 /nfs/dbraw/zinc/15/26/38/441152638.db2.gz CIZOEAABRMTGOW-INIZCTEOSA-N 2 1 345.491 1.678 50 0 EDAAMP O=C(NCC[NH+]1CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000071921768 441198573 /nfs/dbraw/zinc/19/85/73/441198573.db2.gz DPMCIYYZZGQUNX-GOSISDBHSA-N 2 1 331.460 1.490 50 0 EDAAMP O=C(NCC[NH+]1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000071921768 441198575 /nfs/dbraw/zinc/19/85/75/441198575.db2.gz DPMCIYYZZGQUNX-GOSISDBHSA-N 2 1 331.460 1.490 50 0 EDAAMP Cc1nc2c(c(N3CCC[C@]4(CCC[N@H+](C)C4)C3)n1)CC[NH2+]CC2 ZINC000067842696 441686707 /nfs/dbraw/zinc/68/67/07/441686707.db2.gz ZPHBMBSPYPPVGS-IBGZPJMESA-N 2 1 329.492 1.785 50 0 EDAAMP C[C@H](NC(=O)C[N@@H+](C)CC1CC[NH+](CCO)CC1)c1cccs1 ZINC000069927486 442078597 /nfs/dbraw/zinc/07/85/97/442078597.db2.gz FWIBFPDLFNHNMI-AWEZNQCLSA-N 2 1 339.505 1.561 50 0 EDAAMP C[NH+]1CCC([N@@H+]2C[C@@H](CO)[C@H](c3nc(-c4ccncc4)no3)C2)CC1 ZINC000253411067 443058891 /nfs/dbraw/zinc/05/88/91/443058891.db2.gz ODOOTUKSQVVBKA-GOEBONIOSA-N 2 1 343.431 1.234 50 0 EDAAMP C[NH+]1CCC([N@H+]2C[C@@H](CO)[C@H](c3nc(-c4ccncc4)no3)C2)CC1 ZINC000253411067 443058893 /nfs/dbraw/zinc/05/88/93/443058893.db2.gz ODOOTUKSQVVBKA-GOEBONIOSA-N 2 1 343.431 1.234 50 0 EDAAMP Cc1ccccc1[C@H](C(=O)NCC1CC[NH+](CCO)CC1)[NH+](C)C ZINC000220498037 443066502 /nfs/dbraw/zinc/06/65/02/443066502.db2.gz DFWBVWFBPRCQNM-GOSISDBHSA-N 2 1 333.476 1.418 50 0 EDAAMP CCC[NH+]1CCN(C(=O)c2nn(CC3CC3)c3c2C[NH2+]CC3)CC1 ZINC000257196666 443123244 /nfs/dbraw/zinc/12/32/44/443123244.db2.gz YPVZHJUDPKLTAA-UHFFFAOYSA-N 2 1 331.464 1.107 50 0 EDAAMP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000237626548 443177635 /nfs/dbraw/zinc/17/76/35/443177635.db2.gz GLOHCWBGKASRBQ-GJZGRUSLSA-N 2 1 331.460 1.859 50 0 EDAAMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000242284643 443209877 /nfs/dbraw/zinc/20/98/77/443209877.db2.gz YILINKHRZPMOMY-RBUKOAKNSA-N 2 1 345.487 1.327 50 0 EDAAMP O=C(N[C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000426633920 447482665 /nfs/dbraw/zinc/48/26/65/447482665.db2.gz MXDJNDMOOISWCZ-LJQANCHMSA-N 2 1 342.487 1.651 50 0 EDAAMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)CC1 ZINC000225773497 536401553 /nfs/dbraw/zinc/40/15/53/536401553.db2.gz FJWWKBVGFADKRD-IRXDYDNUSA-N 2 1 335.423 1.098 50 0 EDAAMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)CC1 ZINC000225773497 536401557 /nfs/dbraw/zinc/40/15/57/536401557.db2.gz FJWWKBVGFADKRD-IRXDYDNUSA-N 2 1 335.423 1.098 50 0 EDAAMP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000067690988 215186208 /nfs/dbraw/zinc/18/62/08/215186208.db2.gz ZYLLFSUJACQPJI-SFHVURJKSA-N 2 1 330.476 1.752 50 0 EDAAMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000072150349 216038424 /nfs/dbraw/zinc/03/84/24/216038424.db2.gz YLABDDCKOZUQEN-QGZVFWFLSA-N 2 1 340.489 1.239 50 0 EDAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000072150349 216038426 /nfs/dbraw/zinc/03/84/26/216038426.db2.gz YLABDDCKOZUQEN-QGZVFWFLSA-N 2 1 340.489 1.239 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1nc(C)no1)CC[NH+](C)CC2 ZINC000072425080 216214360 /nfs/dbraw/zinc/21/43/60/216214360.db2.gz CDMXLZHDCYOENL-OAHLLOKOSA-N 2 1 349.479 1.533 50 0 EDAAMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)ccc1F ZINC000072478387 216257340 /nfs/dbraw/zinc/25/73/40/216257340.db2.gz IYWQMBWQWGUDJM-GOEBONIOSA-N 2 1 335.423 1.606 50 0 EDAAMP Cc1cc(C)n(C[C@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000095416627 218356308 /nfs/dbraw/zinc/35/63/08/218356308.db2.gz VAQVCOKWKZSSCX-HNNXBMFYSA-N 2 1 343.479 1.220 50 0 EDAAMP Nc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc[nH+]1 ZINC000071763167 441152910 /nfs/dbraw/zinc/15/29/10/441152910.db2.gz ZZCPKHAWXHOAQY-CYBMUJFWSA-N 2 1 344.463 1.018 50 0 EDAAMP Nc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc[nH+]1 ZINC000071763167 441152913 /nfs/dbraw/zinc/15/29/13/441152913.db2.gz ZZCPKHAWXHOAQY-CYBMUJFWSA-N 2 1 344.463 1.018 50 0 EDAAMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000015063139 441194291 /nfs/dbraw/zinc/19/42/91/441194291.db2.gz TZMQPUGHAHLRSQ-UHFFFAOYSA-N 2 1 330.476 1.894 50 0 EDAAMP CCC[N@H+]1CCCn2nc(CNC(=O)C[NH+](C)C3CCCC3)cc2C1 ZINC000082092772 441331299 /nfs/dbraw/zinc/33/12/99/441331299.db2.gz AVMMQDIMHAJVIZ-UHFFFAOYSA-N 2 1 347.507 1.989 50 0 EDAAMP CCC[NH+]1CCCn2nc(CNC(=O)C[N@H+](C)C3CCCC3)cc2C1 ZINC000082092772 441331302 /nfs/dbraw/zinc/33/13/02/441331302.db2.gz AVMMQDIMHAJVIZ-UHFFFAOYSA-N 2 1 347.507 1.989 50 0 EDAAMP CCC[NH+]1CCCn2nc(CNC(=O)C[N@@H+](C)C3CCCC3)cc2C1 ZINC000082092772 441331307 /nfs/dbraw/zinc/33/13/07/441331307.db2.gz AVMMQDIMHAJVIZ-UHFFFAOYSA-N 2 1 347.507 1.989 50 0 EDAAMP C[C@@H](Cn1cccn1)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000075133206 441500887 /nfs/dbraw/zinc/50/08/87/441500887.db2.gz OYSLXMUIXCJKND-FUHWJXTLSA-N 2 1 341.459 1.252 50 0 EDAAMP C[NH2+]CC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095515195 441944637 /nfs/dbraw/zinc/94/46/37/441944637.db2.gz ZNCJCNXIWPLYAP-FSPWUOQZSA-N 2 1 335.398 1.573 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000012305824 711399711 /nfs/dbraw/zinc/39/97/11/711399711.db2.gz VVQZCNUHFCNALB-HNNXBMFYSA-N 2 1 333.480 1.611 50 0 EDAAMP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)cn1 ZINC000072468190 216248084 /nfs/dbraw/zinc/24/80/84/216248084.db2.gz YJQYIDUGFOVHMA-ZWKOTPCHSA-N 2 1 345.491 1.233 50 0 EDAAMP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)cc1 ZINC000299798146 258101771 /nfs/dbraw/zinc/10/17/71/258101771.db2.gz QOLFZBSCZGLKBO-LJQANCHMSA-N 2 1 345.487 1.667 50 0 EDAAMP CCCC[N@H+]1CCn2nc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2C1 ZINC000299801906 258104863 /nfs/dbraw/zinc/10/48/63/258104863.db2.gz QRDMVFVHBRRQLE-QGZVFWFLSA-N 2 1 345.491 1.505 50 0 EDAAMP O=C(C[N@H+]1CCC[C@@H](O)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000044871143 440896217 /nfs/dbraw/zinc/89/62/17/440896217.db2.gz OGZZYWMKZSRLSA-GOSISDBHSA-N 2 1 331.460 1.224 50 0 EDAAMP O=C(C[N@@H+]1CCC[C@@H](O)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000044871143 440896226 /nfs/dbraw/zinc/89/62/26/440896226.db2.gz OGZZYWMKZSRLSA-GOSISDBHSA-N 2 1 331.460 1.224 50 0 EDAAMP CC(=O)N1CCC(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000070040921 441108596 /nfs/dbraw/zinc/10/85/96/441108596.db2.gz MVVPBZTXGQPJOS-OAHLLOKOSA-N 2 1 325.497 1.270 50 0 EDAAMP Cc1cnn(CC2CC[NH+](C[C@@H](O)C[NH+]3CCC(C)CC3)CC2)c1 ZINC000071877025 441180356 /nfs/dbraw/zinc/18/03/56/441180356.db2.gz YFPJCYJHUILUIK-IBGZPJMESA-N 2 1 334.508 1.996 50 0 EDAAMP c1cncc(-c2nc3c(c(N4CC[N@H+]5CCC[C@@H]5C4)n2)CC[NH2+]C3)c1 ZINC000071661348 441149042 /nfs/dbraw/zinc/14/90/42/441149042.db2.gz XSTPWYPFBJDEDY-OAHLLOKOSA-N 2 1 336.443 1.469 50 0 EDAAMP c1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CC[NH2+]C3 ZINC000065396738 441424697 /nfs/dbraw/zinc/42/46/97/441424697.db2.gz FWEAWJNMXLUNKR-UHFFFAOYSA-N 2 1 333.461 1.471 50 0 EDAAMP C[NH+]1CCN(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000091616683 441717650 /nfs/dbraw/zinc/71/76/50/441717650.db2.gz CSQGJWKJBJYGJV-RBUKOAKNSA-N 2 1 342.487 1.950 50 0 EDAAMP C[NH+]1CCN(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000091616683 441717655 /nfs/dbraw/zinc/71/76/55/441717655.db2.gz CSQGJWKJBJYGJV-RBUKOAKNSA-N 2 1 342.487 1.950 50 0 EDAAMP C[N@@H+](Cc1csc(-c2ncccn2)n1)CC1CC[NH+](CCO)CC1 ZINC000069738537 442025031 /nfs/dbraw/zinc/02/50/31/442025031.db2.gz ZUOZJLCEVBJUAA-UHFFFAOYSA-N 2 1 347.488 1.736 50 0 EDAAMP C[N@H+](Cc1csc(-c2ncccn2)n1)CC1CC[NH+](CCO)CC1 ZINC000069738537 442025033 /nfs/dbraw/zinc/02/50/33/442025033.db2.gz ZUOZJLCEVBJUAA-UHFFFAOYSA-N 2 1 347.488 1.736 50 0 EDAAMP Cc1cc(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000097135173 442172775 /nfs/dbraw/zinc/17/27/75/442172775.db2.gz SQSTWTRDBOWYSQ-SFHVURJKSA-N 2 1 343.475 1.616 50 0 EDAAMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587318 443044611 /nfs/dbraw/zinc/04/46/11/443044611.db2.gz XLPNKMBUYSNUTG-UFYCRDLUSA-N 2 1 329.488 1.819 50 0 EDAAMP CCc1[nH+]ccn1CCC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000219893622 443062217 /nfs/dbraw/zinc/06/22/17/443062217.db2.gz ZSZXYGFRCJJERT-BVPBIZIASA-N 2 1 332.448 1.204 50 0 EDAAMP COCc1nc(C2CC([NH3+])C2)cc(N(C)CCCc2[nH+]ccn2C)n1 ZINC000222267930 443075584 /nfs/dbraw/zinc/07/55/84/443075584.db2.gz AVQAVBPNXPTAPV-UHFFFAOYSA-N 2 1 344.463 1.630 50 0 EDAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000237607503 443177137 /nfs/dbraw/zinc/17/71/37/443177137.db2.gz LNRNSIGGWOIFHE-KSZLIROESA-N 2 1 348.535 1.393 50 0 EDAAMP C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H]1C[NH3+] ZINC000237643069 443178748 /nfs/dbraw/zinc/17/87/48/443178748.db2.gz ZFGWXWBHSIPTSK-QFBILLFUSA-N 2 1 344.503 1.633 50 0 EDAAMP c1ccc(OCCC[NH+]2CCOCC2)c(CN2C[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000097772949 219055475 /nfs/dbraw/zinc/05/54/75/219055475.db2.gz TVSVECXXWSIJRY-PKOBYXMFSA-N 2 1 345.487 1.581 50 0 EDAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCc3ccccc32)CC1 ZINC000072157099 216046735 /nfs/dbraw/zinc/04/67/35/216046735.db2.gz NGTCQFHSURLUAY-LJQANCHMSA-N 2 1 331.460 1.354 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072430666 216224085 /nfs/dbraw/zinc/22/40/85/216224085.db2.gz IYFBKSWPRUUNRT-KRWDZBQOSA-N 2 1 347.507 1.575 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCn3cccn3)C2)CC1 ZINC000012573382 441136039 /nfs/dbraw/zinc/13/60/39/441136039.db2.gz LSGKONXUYTYSFH-KRWDZBQOSA-N 2 1 347.507 1.584 50 0 EDAAMP O=C(NCc1ccoc1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000065403582 441426499 /nfs/dbraw/zinc/42/64/99/441426499.db2.gz HPQVVKUQDMPLAY-IEBWSBKVSA-N 2 1 325.412 1.617 50 0 EDAAMP CC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)C1 ZINC000065449277 441436037 /nfs/dbraw/zinc/43/60/37/441436037.db2.gz JRZOMTYCJUMEPE-INIZCTEOSA-N 2 1 342.447 1.717 50 0 EDAAMP CC[N@H+]1CC[C@@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)C1 ZINC000065449277 441436038 /nfs/dbraw/zinc/43/60/38/441436038.db2.gz JRZOMTYCJUMEPE-INIZCTEOSA-N 2 1 342.447 1.717 50 0 EDAAMP C[N@H+](CC(=O)N1CCC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069815404 442049286 /nfs/dbraw/zinc/04/92/86/442049286.db2.gz HKSVHHYJHIZTAB-IBGZPJMESA-N 2 1 345.487 1.596 50 0 EDAAMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000253395579 443054158 /nfs/dbraw/zinc/05/41/58/443054158.db2.gz FJWWKBVGFADKRD-IAGOWNOFSA-N 2 1 335.423 1.098 50 0 EDAAMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000253395579 443054160 /nfs/dbraw/zinc/05/41/60/443054160.db2.gz FJWWKBVGFADKRD-IAGOWNOFSA-N 2 1 335.423 1.098 50 0 EDAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H]3CCC[N@@H+](C)C3)cnn2c1 ZINC000067490862 215154902 /nfs/dbraw/zinc/15/49/02/215154902.db2.gz OAYUXGKNKGBWAR-OAHLLOKOSA-N 2 1 344.463 1.395 50 0 EDAAMP Cc1cccc2nc(C[N@@H+]3CCC[C@](O)(C[NH+](C)C)CC3)cc(=O)n12 ZINC000072165263 216053672 /nfs/dbraw/zinc/05/36/72/216053672.db2.gz DXHVOYULILZQGM-LJQANCHMSA-N 2 1 344.459 1.282 50 0 EDAAMP C[N@H+]1CC2(C[C@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH2+]CC2 ZINC000072410350 216203144 /nfs/dbraw/zinc/20/31/44/216203144.db2.gz UENJZTZEAXBZGD-SFHVURJKSA-N 2 1 343.471 1.957 50 0 EDAAMP Cn1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)c1C1CC1 ZINC000072439904 216233591 /nfs/dbraw/zinc/23/35/91/216233591.db2.gz ZRWMVZTVPGTGIR-DOTOQJQBSA-N 2 1 345.491 1.459 50 0 EDAAMP c1cncc(-c2nc3c(c(N4CC[N@H+]5CCC[C@H]5C4)n2)CC[NH2+]C3)c1 ZINC000230189837 242245393 /nfs/dbraw/zinc/24/53/93/242245393.db2.gz XSTPWYPFBJDEDY-HNNXBMFYSA-N 2 1 336.443 1.469 50 0 EDAAMP Cn1cc([C@@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[NH+](C)C)cn1 ZINC000230212230 242249322 /nfs/dbraw/zinc/24/93/22/242249322.db2.gz UOMCGJIVLAUUOE-DJIMGWMZSA-N 2 1 348.495 1.149 50 0 EDAAMP Cn1cc([C@@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[NH+](C)C)cn1 ZINC000230212230 242249326 /nfs/dbraw/zinc/24/93/26/242249326.db2.gz UOMCGJIVLAUUOE-DJIMGWMZSA-N 2 1 348.495 1.149 50 0 EDAAMP COCCC[N@@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095391848 218323912 /nfs/dbraw/zinc/32/39/12/218323912.db2.gz KAFZCBDXSSHCDG-OAHLLOKOSA-N 2 1 332.452 1.584 50 0 EDAAMP COCCC[N@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095391848 218323914 /nfs/dbraw/zinc/32/39/14/218323914.db2.gz KAFZCBDXSSHCDG-OAHLLOKOSA-N 2 1 332.452 1.584 50 0 EDAAMP C[N@@H+](CCOC[C@H]1CCCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095400876 218335353 /nfs/dbraw/zinc/33/53/53/218335353.db2.gz QJKDFPKACDGZPI-GOSISDBHSA-N 2 1 326.481 1.757 50 0 EDAAMP O[C@@H]1C[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C[C@@H]1O ZINC000071764751 441152832 /nfs/dbraw/zinc/15/28/32/441152832.db2.gz BVXSKLAQQGOTNM-KJWXAFIESA-N 2 1 330.472 1.715 50 0 EDAAMP O[C@@H]1C[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C[C@@H]1O ZINC000071764751 441152834 /nfs/dbraw/zinc/15/28/34/441152834.db2.gz BVXSKLAQQGOTNM-KJWXAFIESA-N 2 1 330.472 1.715 50 0 EDAAMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000065499366 441446430 /nfs/dbraw/zinc/44/64/30/441446430.db2.gz VVTVNNZCMSNXIU-GUDVDZBRSA-N 2 1 343.471 1.630 50 0 EDAAMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065499366 441446431 /nfs/dbraw/zinc/44/64/31/441446431.db2.gz VVTVNNZCMSNXIU-GUDVDZBRSA-N 2 1 343.471 1.630 50 0 EDAAMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000065499366 441446435 /nfs/dbraw/zinc/44/64/35/441446435.db2.gz VVTVNNZCMSNXIU-GUDVDZBRSA-N 2 1 343.471 1.630 50 0 EDAAMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000078914581 441993040 /nfs/dbraw/zinc/99/30/40/441993040.db2.gz QYOFROINLQLLAT-GOSISDBHSA-N 2 1 336.524 1.347 50 0 EDAAMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000096487013 442141664 /nfs/dbraw/zinc/14/16/64/442141664.db2.gz RKRWISZLPPQKMZ-GDBMZVCRSA-N 2 1 325.522 1.899 50 0 EDAAMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000096487013 442141669 /nfs/dbraw/zinc/14/16/69/442141669.db2.gz RKRWISZLPPQKMZ-GDBMZVCRSA-N 2 1 325.522 1.899 50 0 EDAAMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000096487013 442141673 /nfs/dbraw/zinc/14/16/73/442141673.db2.gz RKRWISZLPPQKMZ-GDBMZVCRSA-N 2 1 325.522 1.899 50 0 EDAAMP C[N@@H+](CCOc1cccc(CNC2=[NH+]CCN2)c1)C1CCOCC1 ZINC000252481816 443027293 /nfs/dbraw/zinc/02/72/93/443027293.db2.gz CTAUAZQJOMXLLQ-UHFFFAOYSA-N 2 1 332.448 1.225 50 0 EDAAMP CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000229559470 443129841 /nfs/dbraw/zinc/12/98/41/443129841.db2.gz MLUVOYVBPGDUSI-GBESFXJTSA-N 2 1 337.508 1.555 50 0 EDAAMP CN(C)C(=O)NCc1cc2n(n1)CCC[N@@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244574783 443212648 /nfs/dbraw/zinc/21/26/48/443212648.db2.gz CRJZBGUFHIOFJJ-GASCZTMLSA-N 2 1 348.495 1.378 50 0 EDAAMP Cc1cc(N2CCC[N@@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000244734491 443213690 /nfs/dbraw/zinc/21/36/90/443213690.db2.gz NGNRSEOQYUGILP-CALCHBBNSA-N 2 1 346.475 1.538 50 0 EDAAMP Cc1cc(N2CCC[N@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000244734491 443213691 /nfs/dbraw/zinc/21/36/91/443213691.db2.gz NGNRSEOQYUGILP-CALCHBBNSA-N 2 1 346.475 1.538 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCn1ccc(C)n1)CC[NH+](C)CC2 ZINC000072469479 283317187 /nfs/dbraw/zinc/31/71/87/283317187.db2.gz QCDZAQUESVGVDG-QGZVFWFLSA-N 2 1 347.507 1.504 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1ccccn1)CC[NH+](C)CC2 ZINC000072425424 216215812 /nfs/dbraw/zinc/21/58/12/216215812.db2.gz YDBFUZWCVUAHLY-GOSISDBHSA-N 2 1 344.503 1.937 50 0 EDAAMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[C@@H](C)O1 ZINC000230192640 242248151 /nfs/dbraw/zinc/24/81/51/242248151.db2.gz ODPCIIPVZRLGGX-OAGGEKHMSA-N 2 1 334.464 1.310 50 0 EDAAMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[C@@H](C)O1 ZINC000230192640 242248153 /nfs/dbraw/zinc/24/81/53/242248153.db2.gz ODPCIIPVZRLGGX-OAGGEKHMSA-N 2 1 334.464 1.310 50 0 EDAAMP CC(C)n1cc[nH+]c1Cn1ncc(N2CCC(C[NH3+])CC2)cc1=O ZINC000095366283 218298728 /nfs/dbraw/zinc/29/87/28/218298728.db2.gz GOUAFXKMBLWSKW-UHFFFAOYSA-N 2 1 330.436 1.244 50 0 EDAAMP COc1ccc([C@@H]2CN(C(=O)C[NH+](C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095373043 218305311 /nfs/dbraw/zinc/30/53/11/218305311.db2.gz GHIYBIHUNHIWFY-DFQSSKMNSA-N 2 1 343.471 1.645 50 0 EDAAMP [NH3+]Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)ccn1 ZINC000261909074 139235980 /nfs/dbraw/zinc/23/59/80/139235980.db2.gz HILJVLJDJSKDMG-INIZCTEOSA-N 2 1 330.819 1.980 50 0 EDAAMP CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC000179082332 285337981 /nfs/dbraw/zinc/33/79/81/285337981.db2.gz MHQYENKBVKHSFB-OAHLLOKOSA-N 2 1 334.439 1.402 50 0 EDAAMP O=C(NCc1cn2ccccc2n1)N1CCC([NH+]2CCOCC2)CC1 ZINC000426407565 447437464 /nfs/dbraw/zinc/43/74/64/447437464.db2.gz NPXXVBWOLBRVRL-UHFFFAOYSA-N 2 1 343.431 1.341 50 0 EDAAMP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058006973 441147699 /nfs/dbraw/zinc/14/76/99/441147699.db2.gz ONWDBBYWDFZNKM-IRXDYDNUSA-N 2 1 344.459 1.558 50 0 EDAAMP NC(=O)NC(=O)C[N@H+]1CCC[C@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058006973 441147702 /nfs/dbraw/zinc/14/77/02/441147702.db2.gz ONWDBBYWDFZNKM-IRXDYDNUSA-N 2 1 344.459 1.558 50 0 EDAAMP NC(=O)NC(=O)C[NH+]1CCC[C@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058006973 441147704 /nfs/dbraw/zinc/14/77/04/441147704.db2.gz ONWDBBYWDFZNKM-IRXDYDNUSA-N 2 1 344.459 1.558 50 0 EDAAMP NC(=O)NC(=O)C[NH+]1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058006973 441147708 /nfs/dbraw/zinc/14/77/08/441147708.db2.gz ONWDBBYWDFZNKM-IRXDYDNUSA-N 2 1 344.459 1.558 50 0 EDAAMP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000096407735 442116217 /nfs/dbraw/zinc/11/62/17/442116217.db2.gz PFVUXSUNIXBRGW-MRXNPFEDSA-N 2 1 331.526 1.514 50 0 EDAAMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000096407735 442116219 /nfs/dbraw/zinc/11/62/19/442116219.db2.gz PFVUXSUNIXBRGW-MRXNPFEDSA-N 2 1 331.526 1.514 50 0 EDAAMP C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000097095281 442166329 /nfs/dbraw/zinc/16/63/29/442166329.db2.gz APOTXYFRFZVBNI-RBUKOAKNSA-N 2 1 345.487 1.601 50 0 EDAAMP C[NH+]1CCC[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000097095281 442166333 /nfs/dbraw/zinc/16/63/33/442166333.db2.gz APOTXYFRFZVBNI-RBUKOAKNSA-N 2 1 345.487 1.601 50 0 EDAAMP C[NH+]1CCC[C@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000097095281 442166337 /nfs/dbraw/zinc/16/63/37/442166337.db2.gz APOTXYFRFZVBNI-RBUKOAKNSA-N 2 1 345.487 1.601 50 0 EDAAMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)cc2)CC1 ZINC000091619945 218032425 /nfs/dbraw/zinc/03/24/25/218032425.db2.gz YVGBQPDXAGBOIE-MOPGFXCFSA-N 2 1 342.487 1.243 50 0 EDAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000091724561 218053290 /nfs/dbraw/zinc/05/32/90/218053290.db2.gz JOXUFMXSDMBTQF-CJIROOEOSA-N 2 1 347.478 1.627 50 0 EDAAMP C[NH+](C)Cc1csc(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 ZINC000299770958 258083694 /nfs/dbraw/zinc/08/36/94/258083694.db2.gz TVDXFSGVPIFSMH-HOTGVXAUSA-N 2 1 333.461 1.747 50 0 EDAAMP [NH3+]CCCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000299796442 258100353 /nfs/dbraw/zinc/10/03/53/258100353.db2.gz NXHZYOMTXGMUQM-UHFFFAOYSA-N 2 1 327.432 1.526 50 0 EDAAMP Cc1[nH+]cn(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000299764745 258079968 /nfs/dbraw/zinc/07/99/68/258079968.db2.gz KPDIQQPDODPGKZ-UHFFFAOYSA-N 2 1 327.432 1.676 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCn3cccn3)C2)CC1 ZINC000012573366 441136101 /nfs/dbraw/zinc/13/61/01/441136101.db2.gz LSGKONXUYTYSFH-QGZVFWFLSA-N 2 1 347.507 1.584 50 0 EDAAMP O=C([O-])[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(C[NH+]3CCCCC3)s1)C2 ZINC000065452190 441436929 /nfs/dbraw/zinc/43/69/29/441436929.db2.gz LJLOWUCJEXJSRI-KSSFIOAISA-N 2 1 349.500 1.840 50 0 EDAAMP O=C([O-])[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)s1)C2 ZINC000065452190 441436934 /nfs/dbraw/zinc/43/69/34/441436934.db2.gz LJLOWUCJEXJSRI-KSSFIOAISA-N 2 1 349.500 1.840 50 0 EDAAMP Cc1cc(NC(=O)[C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)on1 ZINC000069897166 442069084 /nfs/dbraw/zinc/06/90/84/442069084.db2.gz DCTCNAJYDLOMPG-KGLIPLIRSA-N 2 1 338.452 1.335 50 0 EDAAMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188061640 442706770 /nfs/dbraw/zinc/70/67/70/442706770.db2.gz HZRCYKZOIFCQDJ-CRAIPNDOSA-N 2 1 331.460 1.523 50 0 EDAAMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229514998 443129408 /nfs/dbraw/zinc/12/94/08/443129408.db2.gz CMQKMFMJZOSTBE-MOPGFXCFSA-N 2 1 343.475 1.483 50 0 EDAAMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229514998 443129414 /nfs/dbraw/zinc/12/94/14/443129414.db2.gz CMQKMFMJZOSTBE-MOPGFXCFSA-N 2 1 343.475 1.483 50 0 EDAAMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229514998 443129418 /nfs/dbraw/zinc/12/94/18/443129418.db2.gz CMQKMFMJZOSTBE-MOPGFXCFSA-N 2 1 343.475 1.483 50 0 EDAAMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229514998 443129424 /nfs/dbraw/zinc/12/94/24/443129424.db2.gz CMQKMFMJZOSTBE-MOPGFXCFSA-N 2 1 343.475 1.483 50 0 EDAAMP C[NH+]1CCC(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)CC1 ZINC000230194760 536340450 /nfs/dbraw/zinc/34/04/50/536340450.db2.gz SJRFQKQFDCDCFZ-HXUWFJFHSA-N 2 1 348.535 1.489 50 0 EDAAMP O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@@H+]2C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C1 ZINC000102654561 219219330 /nfs/dbraw/zinc/21/93/30/219219330.db2.gz NEOALQIEEMETGL-XABWRGDLSA-N 2 1 326.444 1.083 50 0 EDAAMP [NH3+]C1(C(=O)NCC[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)CCC1 ZINC000067946386 215255859 /nfs/dbraw/zinc/25/58/59/215255859.db2.gz GRMLYOJHIOWCPI-OAHLLOKOSA-N 2 1 331.460 1.992 50 0 EDAAMP c1c(CN2CCC[N@@H+](Cc3ccccn3)CC2)nn2c1C[NH2+]CCC2 ZINC000072125626 216017126 /nfs/dbraw/zinc/01/71/26/216017126.db2.gz YQNKTIAKAQERPW-UHFFFAOYSA-N 2 1 340.475 1.479 50 0 EDAAMP CC(C)([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072129663 216020226 /nfs/dbraw/zinc/02/02/26/216020226.db2.gz BKEYRHNQSPGREE-QGZVFWFLSA-N 2 1 348.466 1.676 50 0 EDAAMP Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)CC1 ZINC000072146213 216032443 /nfs/dbraw/zinc/03/24/43/216032443.db2.gz PTMOUCCXVXGZPR-QGZVFWFLSA-N 2 1 344.503 1.845 50 0 EDAAMP OC[C@H]1C[N@H+](C2Cc3ccccc3C2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000091452754 218009044 /nfs/dbraw/zinc/00/90/44/218009044.db2.gz YSPMOAZJJVXORJ-WOJBJXKFSA-N 2 1 344.499 1.398 50 0 EDAAMP C[C@@H](CC[NH+]1CCCC1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400528 218334457 /nfs/dbraw/zinc/33/44/57/218334457.db2.gz YAYRMASEPJERDX-PKOBYXMFSA-N 2 1 345.487 1.878 50 0 EDAAMP C[C@@H](CC[NH+]1CCCC1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400528 218334458 /nfs/dbraw/zinc/33/44/58/218334458.db2.gz YAYRMASEPJERDX-PKOBYXMFSA-N 2 1 345.487 1.878 50 0 EDAAMP Cc1cnn(CC2CC[NH+](C[C@H](O)C[NH+]3CCC(C)CC3)CC2)c1 ZINC000071877024 441180341 /nfs/dbraw/zinc/18/03/41/441180341.db2.gz YFPJCYJHUILUIK-LJQANCHMSA-N 2 1 334.508 1.996 50 0 EDAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCOc3ccccc3)C2)CC1 ZINC000071753737 441151884 /nfs/dbraw/zinc/15/18/84/441151884.db2.gz LWTZSZKYFOFIET-KRWDZBQOSA-N 2 1 345.487 1.988 50 0 EDAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCOc3ccccc3)C2)CC1 ZINC000071753737 441151889 /nfs/dbraw/zinc/15/18/89/441151889.db2.gz LWTZSZKYFOFIET-KRWDZBQOSA-N 2 1 345.487 1.988 50 0 EDAAMP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000096152241 442046964 /nfs/dbraw/zinc/04/69/64/442046964.db2.gz LBPRHWNEIGMFMN-MRXNPFEDSA-N 2 1 349.450 1.738 50 0 EDAAMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000096436389 442130307 /nfs/dbraw/zinc/13/03/07/442130307.db2.gz FBXRACCNJCCJQQ-AEFFLSMTSA-N 2 1 337.508 1.913 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000178719629 442462163 /nfs/dbraw/zinc/46/21/63/442462163.db2.gz HCIIGLWYNCFEDX-DAYGRLMNSA-N 2 1 331.460 1.664 50 0 EDAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000178719629 442462168 /nfs/dbraw/zinc/46/21/68/442462168.db2.gz HCIIGLWYNCFEDX-DAYGRLMNSA-N 2 1 331.460 1.664 50 0 EDAAMP CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)CN(C)C1CC[NH2+]CC1 ZINC000534664773 448462589 /nfs/dbraw/zinc/46/25/89/448462589.db2.gz YODYGQKBPJQJMU-UHFFFAOYSA-N 2 1 330.476 1.274 50 0 EDAAMP CC[C@H](O)C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639503139 451908631 /nfs/dbraw/zinc/90/86/31/451908631.db2.gz BNEVFIUJSSUDBN-PMACEKPBSA-N 2 1 347.503 1.012 50 0 EDAAMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012752769 710900869 /nfs/dbraw/zinc/90/08/69/710900869.db2.gz GGBVDBCAMROYCX-SFHVURJKSA-N 2 1 337.508 1.870 50 0 EDAAMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012752769 710900874 /nfs/dbraw/zinc/90/08/74/710900874.db2.gz GGBVDBCAMROYCX-SFHVURJKSA-N 2 1 337.508 1.870 50 0 EDAAMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)CC1 ZINC000072308073 216145622 /nfs/dbraw/zinc/14/56/22/216145622.db2.gz AZNAQIPEZDLXIA-UHFFFAOYSA-N 2 1 346.475 1.525 50 0 EDAAMP CCCc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)nc(C)[nH+]1 ZINC000072457496 216242648 /nfs/dbraw/zinc/24/26/48/216242648.db2.gz QHAGXXZFRQOCFN-DOTOQJQBSA-N 2 1 345.491 1.904 50 0 EDAAMP Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cc(C[NH+](C)C)cs1)CC2 ZINC000215564004 241132296 /nfs/dbraw/zinc/13/22/96/241132296.db2.gz AOBDESMOZBPUMX-UHFFFAOYSA-N 2 1 332.473 1.802 50 0 EDAAMP C[C@@H]1C[N@@H+](C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CO)C[C@H](C)O1 ZINC000091452648 274351576 /nfs/dbraw/zinc/35/15/76/274351576.db2.gz MFYWEIKHOGHLBS-LXTVHRRPSA-N 2 1 345.447 1.112 50 0 EDAAMP C[C@@H]1C[N@H+](C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CO)C[C@H](C)O1 ZINC000091452648 274351577 /nfs/dbraw/zinc/35/15/77/274351577.db2.gz MFYWEIKHOGHLBS-LXTVHRRPSA-N 2 1 345.447 1.112 50 0 EDAAMP Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc[nH+]1 ZINC000071763884 441152744 /nfs/dbraw/zinc/15/27/44/441152744.db2.gz NYFWRSKZQCGLQQ-CYBMUJFWSA-N 2 1 344.463 1.018 50 0 EDAAMP Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc[nH+]1 ZINC000071763884 441152746 /nfs/dbraw/zinc/15/27/46/441152746.db2.gz NYFWRSKZQCGLQQ-CYBMUJFWSA-N 2 1 344.463 1.018 50 0 EDAAMP C[NH+](C)CCCC(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082146298 441338040 /nfs/dbraw/zinc/33/80/40/441338040.db2.gz CQLIRQMTBCGETH-UHFFFAOYSA-N 2 1 347.507 1.989 50 0 EDAAMP CCCNC(=O)[C@@H](C)[NH+](C)CCCC[N@H+](C)[C@H](C)C(=O)NCCC ZINC000106801551 441372997 /nfs/dbraw/zinc/37/29/97/441372997.db2.gz YJRZDUBUQGKRGZ-HZPDHXFCSA-N 2 1 342.528 1.460 50 0 EDAAMP Cc1ncccc1OC1(C(=O)NCC[C@H]2CCC[N@@H+]2C)CC[NH2+]CC1 ZINC000065531271 441453215 /nfs/dbraw/zinc/45/32/15/441453215.db2.gz NKCJXDLGDANKMQ-MRXNPFEDSA-N 2 1 346.475 1.492 50 0 EDAAMP OCCOc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091830529 441746053 /nfs/dbraw/zinc/74/60/53/441746053.db2.gz BDIFWFQNRCJXRY-QZTJIDSGSA-N 2 1 334.460 1.194 50 0 EDAAMP OCCOc1ccccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091830529 441746059 /nfs/dbraw/zinc/74/60/59/441746059.db2.gz BDIFWFQNRCJXRY-QZTJIDSGSA-N 2 1 334.460 1.194 50 0 EDAAMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC000097096463 442166484 /nfs/dbraw/zinc/16/64/84/442166484.db2.gz GHZQVXSMTNCYTE-MJGOQNOKSA-N 2 1 331.460 1.518 50 0 EDAAMP COC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000170591729 442232915 /nfs/dbraw/zinc/23/29/15/442232915.db2.gz LASOCPLIDZNUND-MRXNPFEDSA-N 2 1 341.402 1.406 50 0 EDAAMP CCn1c(CN(C)CCCc2[nH+]ccn2C)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000223253869 443086972 /nfs/dbraw/zinc/08/69/72/443086972.db2.gz IMVHPODXFTULKI-OKILXGFUSA-N 2 1 331.468 1.301 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000299741981 444129845 /nfs/dbraw/zinc/12/98/45/444129845.db2.gz ANRKWHZOPSJLOS-SZVBFZGTSA-N 2 1 330.476 1.940 50 0 EDAAMP CC[NH+]1CCN(C(C)(C)CNc2nc(N)[nH+]c(C)c2Cl)CC1 ZINC000534667301 448464439 /nfs/dbraw/zinc/46/44/39/448464439.db2.gz JEGMGCZFDIEEFC-UHFFFAOYSA-N 2 1 326.876 1.271 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N(C)Cc3ncc[nH]3)C2)CC1 ZINC000071776378 491166881 /nfs/dbraw/zinc/16/68/81/491166881.db2.gz HNDOGPAWTCDMPE-MRXNPFEDSA-N 2 1 347.507 1.953 50 0 EDAAMP O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097823396 219058637 /nfs/dbraw/zinc/05/86/37/219058637.db2.gz NOMGUUJWBLGWTH-LJQANCHMSA-N 2 1 345.487 1.859 50 0 EDAAMP O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C1 ZINC000102247051 219191880 /nfs/dbraw/zinc/19/18/80/219191880.db2.gz LKPJBPFRSKJIRV-DBDQLMEASA-N 2 1 325.456 1.688 50 0 EDAAMP c1csc(C[NH+]2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)c1 ZINC000072476464 216254291 /nfs/dbraw/zinc/25/42/91/216254291.db2.gz KHTZMJHLBBYGJF-UHFFFAOYSA-N 2 1 329.473 1.549 50 0 EDAAMP Cc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012468246 211390445 /nfs/dbraw/zinc/39/04/45/211390445.db2.gz MXNIDPVIWIUGFJ-OAHLLOKOSA-N 2 1 333.480 1.151 50 0 EDAAMP Cc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012468246 211390450 /nfs/dbraw/zinc/39/04/50/211390450.db2.gz MXNIDPVIWIUGFJ-OAHLLOKOSA-N 2 1 333.480 1.151 50 0 EDAAMP COCCC[N@@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095391849 218324165 /nfs/dbraw/zinc/32/41/65/218324165.db2.gz KAFZCBDXSSHCDG-HNNXBMFYSA-N 2 1 332.452 1.584 50 0 EDAAMP COCCC[N@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095391849 218324167 /nfs/dbraw/zinc/32/41/67/218324167.db2.gz KAFZCBDXSSHCDG-HNNXBMFYSA-N 2 1 332.452 1.584 50 0 EDAAMP CC[NH+]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000355582321 150323989 /nfs/dbraw/zinc/32/39/89/150323989.db2.gz LARMCIGDSFBZCZ-IBGZPJMESA-N 2 1 344.503 1.357 50 0 EDAAMP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069947419 441094060 /nfs/dbraw/zinc/09/40/60/441094060.db2.gz ARIIPQHYQNZBDY-MRXNPFEDSA-N 2 1 325.497 1.414 50 0 EDAAMP CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072426658 441231626 /nfs/dbraw/zinc/23/16/26/441231626.db2.gz QYAHAECFMIEZFE-OAHLLOKOSA-N 2 1 347.507 1.740 50 0 EDAAMP [NH3+]CCc1nc2ccccc2c(NCC[N@H+]2CCCC[C@@H]2CO)n1 ZINC000065528346 441451916 /nfs/dbraw/zinc/45/19/16/441451916.db2.gz WNWYZOMKXPWDMR-CQSZACIVSA-N 2 1 329.448 1.390 50 0 EDAAMP CC[N@@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000095512191 441944079 /nfs/dbraw/zinc/94/40/79/441944079.db2.gz CMLZWSTXTHMCCA-LJQANCHMSA-N 2 1 347.503 1.658 50 0 EDAAMP CC[N@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000095512191 441944096 /nfs/dbraw/zinc/94/40/96/441944096.db2.gz CMLZWSTXTHMCCA-LJQANCHMSA-N 2 1 347.503 1.658 50 0 EDAAMP CC[N@@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000095512191 441944103 /nfs/dbraw/zinc/94/41/03/441944103.db2.gz CMLZWSTXTHMCCA-LJQANCHMSA-N 2 1 347.503 1.658 50 0 EDAAMP Cc1ccc[nH+]c1N1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000219627232 443059331 /nfs/dbraw/zinc/05/93/31/443059331.db2.gz XMZHTPPXKNXJQB-UHFFFAOYSA-N 2 1 339.447 1.294 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000299741980 444129744 /nfs/dbraw/zinc/12/97/44/444129744.db2.gz ANRKWHZOPSJLOS-SUMDDJOVSA-N 2 1 330.476 1.940 50 0 EDAAMP C[C@@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)[N@@H+](C)C1CCCCC1 ZINC000584898185 448670918 /nfs/dbraw/zinc/67/09/18/448670918.db2.gz IDNFWNOLRNGURZ-HNNXBMFYSA-N 2 1 325.497 1.555 50 0 EDAAMP O[C@H]1CN(c2cc[nH+]cc2)CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000217089957 485738386 /nfs/dbraw/zinc/73/83/86/485738386.db2.gz DQUSKEIUTQIBOI-LJQANCHMSA-N 3 1 344.503 1.877 50 0 EDAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)cnn2c1 ZINC000067758624 215206592 /nfs/dbraw/zinc/20/65/92/215206592.db2.gz BPLYDVMZOWHODP-OAHLLOKOSA-N 2 1 344.463 1.347 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1c(C)n[nH]c1C)CC[NH+](C)CC2 ZINC000072426526 216217437 /nfs/dbraw/zinc/21/74/37/216217437.db2.gz KHXSHTLYNPYDSY-KRWDZBQOSA-N 2 1 347.507 1.839 50 0 EDAAMP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC000229513811 242171541 /nfs/dbraw/zinc/17/15/41/242171541.db2.gz HZTMICLIZCJDJM-MSOLQXFVSA-N 2 1 327.513 1.122 50 0 EDAAMP CCCc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)o1 ZINC000092065559 218112881 /nfs/dbraw/zinc/11/28/81/218112881.db2.gz MNLYEYDYMZBXKI-QZTJIDSGSA-N 2 1 349.519 1.910 50 0 EDAAMP CCCc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)o1 ZINC000092065559 218112884 /nfs/dbraw/zinc/11/28/84/218112884.db2.gz MNLYEYDYMZBXKI-QZTJIDSGSA-N 2 1 349.519 1.910 50 0 EDAAMP CCCc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)o1 ZINC000092065559 218112887 /nfs/dbraw/zinc/11/28/87/218112887.db2.gz MNLYEYDYMZBXKI-QZTJIDSGSA-N 2 1 349.519 1.910 50 0 EDAAMP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)C1 ZINC000095375182 218307348 /nfs/dbraw/zinc/30/73/48/218307348.db2.gz BUECXAJPPMQZGW-SFHVURJKSA-N 2 1 332.492 1.753 50 0 EDAAMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)C1 ZINC000095375182 218307350 /nfs/dbraw/zinc/30/73/50/218307350.db2.gz BUECXAJPPMQZGW-SFHVURJKSA-N 2 1 332.492 1.753 50 0 EDAAMP Cc1ccc(CSc2nc(N[C@@H]3CC[NH2+]C[C@H]3O)cc(N)[nH+]2)cc1 ZINC000095392470 218324384 /nfs/dbraw/zinc/32/43/84/218324384.db2.gz SACYCJCIZASQDQ-ZIAGYGMSSA-N 2 1 345.472 1.794 50 0 EDAAMP Cc1ccc(CSc2nc(N)cc(N[C@@H]3CC[NH2+]C[C@H]3O)[nH+]2)cc1 ZINC000095392470 218324386 /nfs/dbraw/zinc/32/43/86/218324386.db2.gz SACYCJCIZASQDQ-ZIAGYGMSSA-N 2 1 345.472 1.794 50 0 EDAAMP C[C@@H](C(=O)N1CCCC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065587845 278187850 /nfs/dbraw/zinc/18/78/50/278187850.db2.gz FUDGXAFJNHQGQV-BBWFWOEESA-N 2 1 337.508 1.819 50 0 EDAAMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000096477151 279244413 /nfs/dbraw/zinc/24/44/13/279244413.db2.gz URIJSQSFNFCDBF-KBAYOESNSA-N 2 1 331.460 1.881 50 0 EDAAMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000096477151 279244414 /nfs/dbraw/zinc/24/44/14/279244414.db2.gz URIJSQSFNFCDBF-KBAYOESNSA-N 2 1 331.460 1.881 50 0 EDAAMP COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000032669132 441564048 /nfs/dbraw/zinc/56/40/48/441564048.db2.gz VXFSWAJFVOZLQV-KRWDZBQOSA-N 2 1 331.460 1.681 50 0 EDAAMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000032669132 441564052 /nfs/dbraw/zinc/56/40/52/441564052.db2.gz VXFSWAJFVOZLQV-KRWDZBQOSA-N 2 1 331.460 1.681 50 0 EDAAMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000096420831 442121574 /nfs/dbraw/zinc/12/15/74/442121574.db2.gz CJNOOEHZAOLPJT-MSOLQXFVSA-N 2 1 331.460 1.298 50 0 EDAAMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000096420831 442121578 /nfs/dbraw/zinc/12/15/78/442121578.db2.gz CJNOOEHZAOLPJT-MSOLQXFVSA-N 2 1 331.460 1.298 50 0 EDAAMP CN1CC[N@@H+](CCCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000239351946 443199116 /nfs/dbraw/zinc/19/91/16/443199116.db2.gz AAWCVMPYNRRZOM-QZTJIDSGSA-N 2 1 330.476 1.233 50 0 EDAAMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000239351946 443199121 /nfs/dbraw/zinc/19/91/21/443199121.db2.gz AAWCVMPYNRRZOM-QZTJIDSGSA-N 2 1 330.476 1.233 50 0 EDAAMP C[N@H+]1CCN(CCCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000239351946 443199128 /nfs/dbraw/zinc/19/91/28/443199128.db2.gz AAWCVMPYNRRZOM-QZTJIDSGSA-N 2 1 330.476 1.233 50 0 EDAAMP O=C(N[C@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000426633919 447482522 /nfs/dbraw/zinc/48/25/22/447482522.db2.gz MXDJNDMOOISWCZ-IBGZPJMESA-N 2 1 342.487 1.651 50 0 EDAAMP C[NH+](C)CCN(Cc1ccccc1)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426563479 447471679 /nfs/dbraw/zinc/47/16/79/447471679.db2.gz POPQMZCZOLAZND-INIZCTEOSA-N 2 1 341.459 2.131 50 0 EDAAMP CN(C)C(=O)[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639675486 452016186 /nfs/dbraw/zinc/01/61/86/452016186.db2.gz UONQRLYZNYHNLL-PKOBYXMFSA-N 2 1 331.460 1.034 50 0 EDAAMP CN(C)C(=O)[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639675486 452016189 /nfs/dbraw/zinc/01/61/89/452016189.db2.gz UONQRLYZNYHNLL-PKOBYXMFSA-N 2 1 331.460 1.034 50 0 EDAAMP CN(C)C(=O)[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639675486 452016193 /nfs/dbraw/zinc/01/61/93/452016193.db2.gz UONQRLYZNYHNLL-PKOBYXMFSA-N 2 1 331.460 1.034 50 0 EDAAMP CN(C)C(=O)[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639675486 452016197 /nfs/dbraw/zinc/01/61/97/452016197.db2.gz UONQRLYZNYHNLL-PKOBYXMFSA-N 2 1 331.460 1.034 50 0 EDAAMP Cc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)[nH]1 ZINC000072431646 216225379 /nfs/dbraw/zinc/22/53/79/216225379.db2.gz ZIJBJQDMCPDKAY-FUHWJXTLSA-N 2 1 345.491 1.531 50 0 EDAAMP Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)c[nH]1 ZINC000072431646 216225383 /nfs/dbraw/zinc/22/53/83/216225383.db2.gz ZIJBJQDMCPDKAY-FUHWJXTLSA-N 2 1 345.491 1.531 50 0 EDAAMP Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)c[nH]1 ZINC000072431646 216225384 /nfs/dbraw/zinc/22/53/84/216225384.db2.gz ZIJBJQDMCPDKAY-FUHWJXTLSA-N 2 1 345.491 1.531 50 0 EDAAMP Cc1[nH+]ccn1CCCC(=O)N1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000072478487 216256745 /nfs/dbraw/zinc/25/67/45/216256745.db2.gz ITMVTCUBOPRTSA-MRXNPFEDSA-N 2 1 348.491 1.931 50 0 EDAAMP Cc1ccc[nH+]c1N1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244875119 243095108 /nfs/dbraw/zinc/09/51/08/243095108.db2.gz XMZHTPPXKNXJQB-OKILXGFUSA-N 2 1 339.447 1.294 50 0 EDAAMP C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069947417 203064541 /nfs/dbraw/zinc/06/45/41/203064541.db2.gz ARIIPQHYQNZBDY-INIZCTEOSA-N 2 1 325.497 1.414 50 0 EDAAMP O=C(NCCO)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071765096 203110111 /nfs/dbraw/zinc/11/01/11/203110111.db2.gz OYCBNTWWZJPRMF-GOSISDBHSA-N 2 1 345.487 1.472 50 0 EDAAMP O=C(NCCO)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071765096 203110115 /nfs/dbraw/zinc/11/01/15/203110115.db2.gz OYCBNTWWZJPRMF-GOSISDBHSA-N 2 1 345.487 1.472 50 0 EDAAMP O[C@@]1(C[NH2+]CCc2nc(-c3ccccc3)cs2)C[NH2+]CCOC1 ZINC000077378327 203384603 /nfs/dbraw/zinc/38/46/03/203384603.db2.gz MFSJVERUWMZRRO-KRWDZBQOSA-N 2 1 333.457 1.293 50 0 EDAAMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000096489896 276388614 /nfs/dbraw/zinc/38/86/14/276388614.db2.gz AJLMKLDNDDMJCJ-KRWDZBQOSA-N 2 1 331.460 1.823 50 0 EDAAMP CN1CC[N@@H+](CCCNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351945 277105508 /nfs/dbraw/zinc/10/55/08/277105508.db2.gz AAWCVMPYNRRZOM-MSOLQXFVSA-N 2 1 330.476 1.233 50 0 EDAAMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351945 277105509 /nfs/dbraw/zinc/10/55/09/277105509.db2.gz AAWCVMPYNRRZOM-MSOLQXFVSA-N 2 1 330.476 1.233 50 0 EDAAMP C[N@H+]1CCN(CCCNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351945 277105510 /nfs/dbraw/zinc/10/55/10/277105510.db2.gz AAWCVMPYNRRZOM-MSOLQXFVSA-N 2 1 330.476 1.233 50 0 EDAAMP C[C@H]1C[N@H+](C)CCN1C(=O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000089938748 441600607 /nfs/dbraw/zinc/60/06/07/441600607.db2.gz VWYVYUAIVIBZNU-HNNXBMFYSA-N 2 1 328.460 1.979 50 0 EDAAMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000089938748 441600612 /nfs/dbraw/zinc/60/06/12/441600612.db2.gz VWYVYUAIVIBZNU-HNNXBMFYSA-N 2 1 328.460 1.979 50 0 EDAAMP [NH3+]C1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)CCCC1 ZINC000067983491 441704505 /nfs/dbraw/zinc/70/45/05/441704505.db2.gz NRNOMYQDMJROJM-AWEZNQCLSA-N 2 1 336.867 1.945 50 0 EDAAMP [NH3+]C1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C2)CCCC1 ZINC000067983491 441704515 /nfs/dbraw/zinc/70/45/15/441704515.db2.gz NRNOMYQDMJROJM-AWEZNQCLSA-N 2 1 336.867 1.945 50 0 EDAAMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC000067743754 441675727 /nfs/dbraw/zinc/67/57/27/441675727.db2.gz OXEAPDOZYJNGGT-KRWDZBQOSA-N 3 1 336.524 1.252 50 0 EDAAMP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H](CNC(=O)CN3CCCC3)C2)CC1 ZINC000067743754 441675731 /nfs/dbraw/zinc/67/57/31/441675731.db2.gz OXEAPDOZYJNGGT-KRWDZBQOSA-N 2 1 336.524 1.252 50 0 EDAAMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](CNC(=O)CN3CCCC3)C2)CC1 ZINC000067743754 441675737 /nfs/dbraw/zinc/67/57/37/441675737.db2.gz OXEAPDOZYJNGGT-KRWDZBQOSA-N 2 1 336.524 1.252 50 0 EDAAMP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc1 ZINC000091713711 441731828 /nfs/dbraw/zinc/73/18/28/441731828.db2.gz QAQZTWMNAYGTSX-RTBURBONSA-N 2 1 348.487 1.440 50 0 EDAAMP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc1 ZINC000091713711 441731836 /nfs/dbraw/zinc/73/18/36/441731836.db2.gz QAQZTWMNAYGTSX-RTBURBONSA-N 2 1 348.487 1.440 50 0 EDAAMP CNS(=O)(=O)Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000095967392 441963206 /nfs/dbraw/zinc/96/32/06/441963206.db2.gz KLIHOFVHGCFKTE-UHFFFAOYSA-N 2 1 339.505 1.698 50 0 EDAAMP CCN1C(=O)[C@H]2CC3(CN2C1=O)CC[NH+](C1CC[NH+](C)CC1)CC3 ZINC000257185637 443119804 /nfs/dbraw/zinc/11/98/04/443119804.db2.gz XFZAWFLXTAQLAG-OAHLLOKOSA-N 2 1 334.464 1.219 50 0 EDAAMP CN(CC[N@@H+](C)C1CC1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000343072181 445043066 /nfs/dbraw/zinc/04/30/66/445043066.db2.gz DDJGBGFINWQOOJ-INIZCTEOSA-N 2 1 325.522 1.757 50 0 EDAAMP Cc1ccc[nH+]c1NCCNC(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426508178 447461582 /nfs/dbraw/zinc/46/15/82/447461582.db2.gz ZXAIMEUOSUAHMU-HNNXBMFYSA-N 2 1 342.447 1.282 50 0 EDAAMP Cc1[nH+]ccn1CCCNC(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000426652840 447485901 /nfs/dbraw/zinc/48/59/01/447485901.db2.gz GOXFZPROOHWRHS-UHFFFAOYSA-N 2 1 349.479 1.214 50 0 EDAAMP CNc1cc(-c2cccc(C(=O)N(C)CCC[NH+](C)C)c2)[nH+]c(N)n1 ZINC000534656048 448461586 /nfs/dbraw/zinc/46/15/86/448461586.db2.gz SGBRMUZAHFBTQU-UHFFFAOYSA-N 2 1 342.447 1.213 50 0 EDAAMP CC[NH+]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC000020907468 202057860 /nfs/dbraw/zinc/05/78/60/202057860.db2.gz YDROCTIARAAMPT-HXUWFJFHSA-N 2 1 348.535 1.348 50 0 EDAAMP CC(C)([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072150501 203172758 /nfs/dbraw/zinc/17/27/58/203172758.db2.gz AZLSJYGNSVFRQQ-QGZVFWFLSA-N 2 1 330.476 1.537 50 0 EDAAMP O=C1CC[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072426853 203221382 /nfs/dbraw/zinc/22/13/82/203221382.db2.gz GFHGSQJJABSGTJ-RBUKOAKNSA-N 2 1 342.487 1.894 50 0 EDAAMP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1)C1CC[NH+](C)CC1 ZINC000012298873 441130477 /nfs/dbraw/zinc/13/04/77/441130477.db2.gz NEZFPDVAEBRAIP-INIZCTEOSA-N 2 1 347.507 1.955 50 0 EDAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1)C1CC[NH+](C)CC1 ZINC000012298873 441130481 /nfs/dbraw/zinc/13/04/81/441130481.db2.gz NEZFPDVAEBRAIP-INIZCTEOSA-N 2 1 347.507 1.955 50 0 EDAAMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000065419092 441430175 /nfs/dbraw/zinc/43/01/75/441430175.db2.gz VNBHEAVNFPPQBD-UHFFFAOYSA-N 2 1 347.507 1.624 50 0 EDAAMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000090581891 441636497 /nfs/dbraw/zinc/63/64/97/441636497.db2.gz YTAFLBJJILSQGS-OCCSQVGLSA-N 2 1 345.534 1.655 50 0 EDAAMP CC(C)[NH+]1CCC(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000067843333 441686787 /nfs/dbraw/zinc/68/67/87/441686787.db2.gz NNLFWNYPNLCVBZ-MRXNPFEDSA-N 2 1 331.526 1.368 50 0 EDAAMP O=C(C[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000067867580 441689932 /nfs/dbraw/zinc/68/99/32/441689932.db2.gz REHGEHKSZDZQRX-SFHVURJKSA-N 2 1 330.476 1.896 50 0 EDAAMP Cc1cccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)n1 ZINC000091526119 441709146 /nfs/dbraw/zinc/70/91/46/441709146.db2.gz HZDNVUSXLXLVEI-QZTJIDSGSA-N 2 1 332.492 1.068 50 0 EDAAMP Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)n1 ZINC000091526119 441709151 /nfs/dbraw/zinc/70/91/51/441709151.db2.gz HZDNVUSXLXLVEI-QZTJIDSGSA-N 2 1 332.492 1.068 50 0 EDAAMP Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)n1 ZINC000091526119 441709155 /nfs/dbraw/zinc/70/91/55/441709155.db2.gz HZDNVUSXLXLVEI-QZTJIDSGSA-N 2 1 332.492 1.068 50 0 EDAAMP Cc1[nH+]ccn1CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095385493 441917403 /nfs/dbraw/zinc/91/74/03/441917403.db2.gz NXYXXTMNJVJTKA-MRXNPFEDSA-N 2 1 334.464 1.541 50 0 EDAAMP Cc1[nH+]ccn1CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095385493 441917408 /nfs/dbraw/zinc/91/74/08/441917408.db2.gz NXYXXTMNJVJTKA-MRXNPFEDSA-N 2 1 334.464 1.541 50 0 EDAAMP Cc1cccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)[C@@H](C)C2)[nH+]1 ZINC000096486751 442141300 /nfs/dbraw/zinc/14/13/00/442141300.db2.gz MNNFYVCZKVCRCE-JKSUJKDBSA-N 2 1 348.516 1.864 50 0 EDAAMP Cc1cccc(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)[C@@H](C)C2)[nH+]1 ZINC000096486751 442141304 /nfs/dbraw/zinc/14/13/04/442141304.db2.gz MNNFYVCZKVCRCE-JKSUJKDBSA-N 2 1 348.516 1.864 50 0 EDAAMP c1ccc(N2CC[NH+](CCN3CCC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000244894031 443215739 /nfs/dbraw/zinc/21/57/39/443215739.db2.gz YYSDOCGRAIPTOT-FQEVSTJZSA-N 2 1 328.504 1.979 50 0 EDAAMP c1ccc(N2CC[NH+](CCN3CCC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000244894031 443215745 /nfs/dbraw/zinc/21/57/45/443215745.db2.gz YYSDOCGRAIPTOT-FQEVSTJZSA-N 2 1 328.504 1.979 50 0 EDAAMP C[C@@H]1C[N@@H+](CC2CCN(c3nc(N(C)C)cc[nH+]3)CC2)C[C@H](C)O1 ZINC000091478864 203074929 /nfs/dbraw/zinc/07/49/29/203074929.db2.gz VPGYUPAHTUFNLE-GASCZTMLSA-N 2 1 333.480 1.868 50 0 EDAAMP C[C@@H]1C[N@H+](CC2CCN(c3nc(N(C)C)cc[nH+]3)CC2)C[C@H](C)O1 ZINC000091478864 203074932 /nfs/dbraw/zinc/07/49/32/203074932.db2.gz VPGYUPAHTUFNLE-GASCZTMLSA-N 2 1 333.480 1.868 50 0 EDAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069922685 296181714 /nfs/dbraw/zinc/18/17/14/296181714.db2.gz GGRQORKFGRDLBE-NEPJUHHUSA-N 2 1 339.402 1.078 50 0 EDAAMP CN(C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000426396655 447434162 /nfs/dbraw/zinc/43/41/62/447434162.db2.gz STGKZZRMADWMHV-GOSISDBHSA-N 2 1 344.503 1.996 50 0 EDAAMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+](C)[C@@H](C)C(=O)NCCC ZINC000070038441 441107166 /nfs/dbraw/zinc/10/71/66/441107166.db2.gz YJRZDUBUQGKRGZ-IYBDPMFKSA-N 2 1 342.528 1.460 50 0 EDAAMP CCCNC(=O)[C@@H](C)[NH+](C)CCCC[N@H+](C)[C@@H](C)C(=O)NCCC ZINC000070038441 441107169 /nfs/dbraw/zinc/10/71/69/441107169.db2.gz YJRZDUBUQGKRGZ-IYBDPMFKSA-N 2 1 342.528 1.460 50 0 EDAAMP CCCNC(=O)[C@@H](C)[NH+](C)CCCC[N@@H+](C)[C@@H](C)C(=O)NCCC ZINC000070038441 441107171 /nfs/dbraw/zinc/10/71/71/441107171.db2.gz YJRZDUBUQGKRGZ-IYBDPMFKSA-N 2 1 342.528 1.460 50 0 EDAAMP COc1ccc(CCN2C[C@@H]([NH2+]C3CC[NH+](C)CC3)CC2=O)cc1 ZINC000011844594 441124431 /nfs/dbraw/zinc/12/44/31/441124431.db2.gz DPBOOGRDTQREKA-KRWDZBQOSA-N 2 1 331.460 1.522 50 0 EDAAMP CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000069929795 441091685 /nfs/dbraw/zinc/09/16/85/441091685.db2.gz AXXPMVXAWAHNBO-DLBZAZTESA-N 2 1 343.475 1.238 50 0 EDAAMP CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000069929795 441091689 /nfs/dbraw/zinc/09/16/89/441091689.db2.gz AXXPMVXAWAHNBO-DLBZAZTESA-N 2 1 343.475 1.238 50 0 EDAAMP O=C(C[C@H]1COCC[NH2+]1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000082097104 441332388 /nfs/dbraw/zinc/33/23/88/441332388.db2.gz JAVRCJRKCWNURV-SFHVURJKSA-N 2 1 343.471 1.414 50 0 EDAAMP CC(C)(C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCC2)C1)N1CCCCC1 ZINC000067833411 441684601 /nfs/dbraw/zinc/68/46/01/441684601.db2.gz BOIOYYOUKRYUTR-MRXNPFEDSA-N 2 1 336.524 1.570 50 0 EDAAMP CC(C)(C[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CCC2)C1)N1CCCCC1 ZINC000067833411 441684606 /nfs/dbraw/zinc/68/46/06/441684606.db2.gz BOIOYYOUKRYUTR-MRXNPFEDSA-N 2 1 336.524 1.570 50 0 EDAAMP Cc1ccc(O)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000067713697 441671535 /nfs/dbraw/zinc/67/15/35/441671535.db2.gz CEZNXUDEGVHHNT-HNNXBMFYSA-N 2 1 331.460 1.847 50 0 EDAAMP Cc1ccc(O)c(C(=O)NC[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000067713697 441671539 /nfs/dbraw/zinc/67/15/39/441671539.db2.gz CEZNXUDEGVHHNT-HNNXBMFYSA-N 2 1 331.460 1.847 50 0 EDAAMP CCCCSc1nc(N2CC[C@@](O)(C[NH+](C)C)C2)cc(N)[nH+]1 ZINC000095353972 441911881 /nfs/dbraw/zinc/91/18/81/441911881.db2.gz SQJVBCNZKKDNPA-OAHLLOKOSA-N 2 1 325.482 1.454 50 0 EDAAMP C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000095516402 441944985 /nfs/dbraw/zinc/94/49/85/441944985.db2.gz HPKODPJJSPJHJH-QGZVFWFLSA-N 2 1 347.507 1.493 50 0 EDAAMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000195571477 443033199 /nfs/dbraw/zinc/03/31/99/443033199.db2.gz FHSUONQDRIZMHZ-HOTGVXAUSA-N 2 1 340.512 1.205 50 0 EDAAMP Cc1cc(N2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000229540407 443128435 /nfs/dbraw/zinc/12/84/35/443128435.db2.gz XFGUHVIWXZXSOU-GOEBONIOSA-N 2 1 327.432 1.611 50 0 EDAAMP O=C(C[NH+]1CCCCCCC1)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000584896567 448669545 /nfs/dbraw/zinc/66/95/45/448669545.db2.gz AIHLXLIZJFDJLN-GOSISDBHSA-N 2 1 337.508 1.558 50 0 EDAAMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000095976935 533717688 /nfs/dbraw/zinc/71/76/88/533717688.db2.gz KQYOYFOYACFNHD-BHIYHBOVSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095976935 533717695 /nfs/dbraw/zinc/71/76/95/533717695.db2.gz KQYOYFOYACFNHD-BHIYHBOVSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095976935 533717704 /nfs/dbraw/zinc/71/77/04/533717704.db2.gz KQYOYFOYACFNHD-BHIYHBOVSA-N 2 1 345.487 1.470 50 0 EDAAMP C[C@@H]1CN(Cc2ccc(OCCC[NH+]3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000223832341 485808013 /nfs/dbraw/zinc/80/80/13/485808013.db2.gz RFWJAMPTJBKBMQ-MSOLQXFVSA-N 2 1 347.503 1.970 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000299739101 201355552 /nfs/dbraw/zinc/35/55/52/201355552.db2.gz KMSXDSNQHMHWJI-KBAYOESNSA-N 2 1 346.475 1.177 50 0 EDAAMP COc1ccccc1CC(=O)N1CCC[N@H+](C)C2(CC[NH2+]CC2)C1 ZINC000215099371 241106164 /nfs/dbraw/zinc/10/61/64/241106164.db2.gz YDUPFGZSLAGPMX-UHFFFAOYSA-N 2 1 331.460 1.524 50 0 EDAAMP COc1ccccc1CC(=O)N1CCC[N@@H+](C)C2(CC[NH2+]CC2)C1 ZINC000215099371 241106167 /nfs/dbraw/zinc/10/61/67/241106167.db2.gz YDUPFGZSLAGPMX-UHFFFAOYSA-N 2 1 331.460 1.524 50 0 EDAAMP CN1CCC[N@@H+](CC(=O)NCCc2ccccc2)CC12CC[NH2+]CC2 ZINC000244840236 243088343 /nfs/dbraw/zinc/08/83/43/243088343.db2.gz UJMGERJEVCYSPS-UHFFFAOYSA-N 2 1 344.503 1.105 50 0 EDAAMP Cc1ccoc1-c1nnc(C[N@@H+](C)CC2CC[NH+](CCO)CC2)o1 ZINC000070040198 203072848 /nfs/dbraw/zinc/07/28/48/203072848.db2.gz ZQHNDNYOWBNAFU-UHFFFAOYSA-N 2 1 334.420 1.774 50 0 EDAAMP CO[C@H]1C[N@H+](Cc2cc(Cn3cncn3)c(C)cc2C)CC[C@H]1[NH3+] ZINC000071747250 203107272 /nfs/dbraw/zinc/10/72/72/203107272.db2.gz UKUFNSFBCDLSNQ-MSOLQXFVSA-N 2 1 329.448 1.491 50 0 EDAAMP CO[C@H]1C[N@@H+](Cc2cc(Cn3cncn3)c(C)cc2C)CC[C@H]1[NH3+] ZINC000071747250 203107273 /nfs/dbraw/zinc/10/72/73/203107273.db2.gz UKUFNSFBCDLSNQ-MSOLQXFVSA-N 2 1 329.448 1.491 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCn1cccc1)CC[NH+](C)CC2 ZINC000072469582 203229621 /nfs/dbraw/zinc/22/96/21/203229621.db2.gz HIXISZIIVUDIDN-QGZVFWFLSA-N 2 1 332.492 1.801 50 0 EDAAMP Cc1nc[nH]c1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC2CC[NH2+]CC2)C1 ZINC000072475508 203230179 /nfs/dbraw/zinc/23/01/79/203230179.db2.gz LJBCLBJSHIBESD-FUHWJXTLSA-N 2 1 345.491 1.531 50 0 EDAAMP C[NH+](C)CCCOc1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097532543 441140715 /nfs/dbraw/zinc/14/07/15/441140715.db2.gz NXVQRYBTINDBEX-IBGZPJMESA-N 3 1 346.519 1.497 50 0 EDAAMP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000082097643 441332476 /nfs/dbraw/zinc/33/24/76/441332476.db2.gz RMJXLPDQXKYTSJ-QGZVFWFLSA-N 2 1 335.423 1.239 50 0 EDAAMP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000082097643 441332478 /nfs/dbraw/zinc/33/24/78/441332478.db2.gz RMJXLPDQXKYTSJ-QGZVFWFLSA-N 2 1 335.423 1.239 50 0 EDAAMP Cn1cncc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420604 441451855 /nfs/dbraw/zinc/45/18/55/441451855.db2.gz PAEYGJOGOHZZQV-KRWDZBQOSA-N 2 1 341.459 1.407 50 0 EDAAMP C[NH+](C)CC(=O)Nc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000067697370 441668467 /nfs/dbraw/zinc/66/84/67/441668467.db2.gz QBTANZRSQMMUBS-LJQANCHMSA-N 2 1 344.459 1.402 50 0 EDAAMP Cn1ccc2cc(C[N@@H+]3C[C@H](CO)[C@H](C[NH+](C)CCO)C3)ccc21 ZINC000091644305 441725813 /nfs/dbraw/zinc/72/58/13/441725813.db2.gz RMUNFQGYXODYPS-QZTJIDSGSA-N 2 1 331.460 1.143 50 0 EDAAMP Cn1ccc2cc(C[N@H+]3C[C@H](CO)[C@H](C[NH+](C)CCO)C3)ccc21 ZINC000091644305 441725816 /nfs/dbraw/zinc/72/58/16/441725816.db2.gz RMUNFQGYXODYPS-QZTJIDSGSA-N 2 1 331.460 1.143 50 0 EDAAMP Cn1ccc2cc(C[NH+]3C[C@H](CO)[C@H](C[N@H+](C)CCO)C3)ccc21 ZINC000091644305 441725817 /nfs/dbraw/zinc/72/58/17/441725817.db2.gz RMUNFQGYXODYPS-QZTJIDSGSA-N 2 1 331.460 1.143 50 0 EDAAMP Cn1ccc2cc(C[NH+]3C[C@H](CO)[C@H](C[N@@H+](C)CCO)C3)ccc21 ZINC000091644305 441725818 /nfs/dbraw/zinc/72/58/18/441725818.db2.gz RMUNFQGYXODYPS-QZTJIDSGSA-N 2 1 331.460 1.143 50 0 EDAAMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202627 443163048 /nfs/dbraw/zinc/16/30/48/443163048.db2.gz AAWCVMPYNRRZOM-ZWKOTPCHSA-N 2 1 330.476 1.233 50 0 EDAAMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202627 443163055 /nfs/dbraw/zinc/16/30/55/443163055.db2.gz AAWCVMPYNRRZOM-ZWKOTPCHSA-N 2 1 330.476 1.233 50 0 EDAAMP Cc1ccc(O)c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000093142335 534193752 /nfs/dbraw/zinc/19/37/52/534193752.db2.gz GREFQJSQWSNABJ-UHFFFAOYSA-N 2 1 346.475 1.472 50 0 EDAAMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000229194096 242151047 /nfs/dbraw/zinc/15/10/47/242151047.db2.gz VVWPUOZZRVYSFL-IRXDYDNUSA-N 2 1 329.448 1.540 50 0 EDAAMP C[N@@H+](Cc1nnc(Cc2ccccc2)o1)CC1CC[NH+](CCO)CC1 ZINC000069973224 203067201 /nfs/dbraw/zinc/06/72/01/203067201.db2.gz GIUDSXGWXQLIAO-UHFFFAOYSA-N 2 1 344.459 1.797 50 0 EDAAMP C[N@H+](Cc1nnc(Cc2ccccc2)o1)CC1CC[NH+](CCO)CC1 ZINC000069973224 203067203 /nfs/dbraw/zinc/06/72/03/203067203.db2.gz GIUDSXGWXQLIAO-UHFFFAOYSA-N 2 1 344.459 1.797 50 0 EDAAMP Cc1ccn(CCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071763251 203110313 /nfs/dbraw/zinc/11/03/13/203110313.db2.gz IXRTZSAQBYCTII-INIZCTEOSA-N 2 1 333.480 1.114 50 0 EDAAMP Cc1ccn(CCNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000071763251 203110316 /nfs/dbraw/zinc/11/03/16/203110316.db2.gz IXRTZSAQBYCTII-INIZCTEOSA-N 2 1 333.480 1.114 50 0 EDAAMP Cc1[nH+]ccn1CCCC(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072157846 203176807 /nfs/dbraw/zinc/17/68/07/203176807.db2.gz ODYPJDZBMMJAGQ-UHFFFAOYSA-N 2 1 334.464 1.419 50 0 EDAAMP [NH3+]Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)ccn1 ZINC000261909076 139236011 /nfs/dbraw/zinc/23/60/11/139236011.db2.gz HILJVLJDJSKDMG-MRXNPFEDSA-N 2 1 330.819 1.980 50 0 EDAAMP COCCN1C[C@H](C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)CC1=O ZINC000299799522 258103012 /nfs/dbraw/zinc/10/30/12/258103012.db2.gz GZFZIKZZXNHKEE-KRWDZBQOSA-N 2 1 346.475 1.397 50 0 EDAAMP O[C@@H]1CN(c2cnccn2)CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000097436881 441139202 /nfs/dbraw/zinc/13/92/02/441139202.db2.gz MWHLLSCQFNGRHM-KRWDZBQOSA-N 2 1 345.491 1.272 50 0 EDAAMP O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097572283 441141372 /nfs/dbraw/zinc/14/13/72/441141372.db2.gz REIVKDPITMPNLT-GOSISDBHSA-N 2 1 345.487 1.717 50 0 EDAAMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000081354432 441256498 /nfs/dbraw/zinc/25/64/98/441256498.db2.gz LZYDRPFWPCYBIH-GOSISDBHSA-N 2 1 344.503 1.458 50 0 EDAAMP CCC[N@H+]1CCCn2nc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC000082096580 441330627 /nfs/dbraw/zinc/33/06/27/441330627.db2.gz MLAWAPGWPDPARS-KRWDZBQOSA-N 2 1 333.480 1.599 50 0 EDAAMP CCC[NH+]1CCCn2nc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC000082096580 441330633 /nfs/dbraw/zinc/33/06/33/441330633.db2.gz MLAWAPGWPDPARS-KRWDZBQOSA-N 2 1 333.480 1.599 50 0 EDAAMP CCC[NH+]1CCCn2nc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2C1 ZINC000082096580 441330635 /nfs/dbraw/zinc/33/06/35/441330635.db2.gz MLAWAPGWPDPARS-KRWDZBQOSA-N 2 1 333.480 1.599 50 0 EDAAMP CC[N@@H+]1CCCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000089977250 441608635 /nfs/dbraw/zinc/60/86/35/441608635.db2.gz XIGQCYPUYKOTSE-KRWDZBQOSA-N 2 1 340.512 1.471 50 0 EDAAMP CC[N@H+]1CCCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000089977250 441608640 /nfs/dbraw/zinc/60/86/40/441608640.db2.gz XIGQCYPUYKOTSE-KRWDZBQOSA-N 2 1 340.512 1.471 50 0 EDAAMP COCC[N@@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CC1 ZINC000096439894 442131400 /nfs/dbraw/zinc/13/14/00/442131400.db2.gz WWDRTEIMVVVWFF-ZXFUBFMLSA-N 2 1 338.496 1.412 50 0 EDAAMP COCC[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000096439894 442131407 /nfs/dbraw/zinc/13/14/07/442131407.db2.gz WWDRTEIMVVVWFF-ZXFUBFMLSA-N 2 1 338.496 1.412 50 0 EDAAMP COCC[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000096439894 442131412 /nfs/dbraw/zinc/13/14/12/442131412.db2.gz WWDRTEIMVVVWFF-ZXFUBFMLSA-N 2 1 338.496 1.412 50 0 EDAAMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000188546215 442761863 /nfs/dbraw/zinc/76/18/63/442761863.db2.gz RZTOWHCIKDTMIV-HNNXBMFYSA-N 2 1 340.512 1.347 50 0 EDAAMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000188546215 442761866 /nfs/dbraw/zinc/76/18/66/442761866.db2.gz RZTOWHCIKDTMIV-HNNXBMFYSA-N 2 1 340.512 1.347 50 0 EDAAMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000188546215 442761869 /nfs/dbraw/zinc/76/18/69/442761869.db2.gz RZTOWHCIKDTMIV-HNNXBMFYSA-N 2 1 340.512 1.347 50 0 EDAAMP CC[N@H+]1C[C@@H]2CCN(Cc3cccnc3)C[C@]2(c2nc(C)no2)C1 ZINC000257178284 443117417 /nfs/dbraw/zinc/11/74/17/443117417.db2.gz ZVCNXZZHNMPNFI-FUHWJXTLSA-N 2 1 327.432 1.868 50 0 EDAAMP Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072434247 216229640 /nfs/dbraw/zinc/22/96/40/216229640.db2.gz IQMLWILQMSWRAM-OAHLLOKOSA-N 2 1 332.496 1.342 50 0 EDAAMP Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072434247 216229642 /nfs/dbraw/zinc/22/96/42/216229642.db2.gz IQMLWILQMSWRAM-OAHLLOKOSA-N 2 1 332.496 1.342 50 0 EDAAMP COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@H+]3CCC[C@H]3C2)n1 ZINC000244564022 243039454 /nfs/dbraw/zinc/03/94/54/243039454.db2.gz CLEMQNMKLYDJAP-ZNMIVQPWSA-N 2 1 331.464 1.502 50 0 EDAAMP Cc1[nH+]c(N)nc(N2CCC([NH2+]C[C@H]3CCCO3)CC2)c1Cl ZINC000095521094 203754886 /nfs/dbraw/zinc/75/48/86/203754886.db2.gz ZMDHLZCTCNMKMM-GFCCVEGCSA-N 2 1 325.844 1.758 50 0 EDAAMP Cc1cccc([C@H](C(=O)NCC2([NH+](C)C)CCOCC2)[NH+](C)C)c1 ZINC000095375212 302028229 /nfs/dbraw/zinc/02/82/29/302028229.db2.gz VOBNLGORKCDHRL-QGZVFWFLSA-N 2 1 333.476 1.825 50 0 EDAAMP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000082097479 441331850 /nfs/dbraw/zinc/33/18/50/441331850.db2.gz ZIJDHMDEYHAYLL-MRXNPFEDSA-N 2 1 335.423 1.239 50 0 EDAAMP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000082097479 441331855 /nfs/dbraw/zinc/33/18/55/441331855.db2.gz ZIJDHMDEYHAYLL-MRXNPFEDSA-N 2 1 335.423 1.239 50 0 EDAAMP CC[N@@H+]1CC[C@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)C1 ZINC000065449275 441435923 /nfs/dbraw/zinc/43/59/23/441435923.db2.gz JRZOMTYCJUMEPE-MRXNPFEDSA-N 2 1 342.447 1.717 50 0 EDAAMP CC[N@H+]1CC[C@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)C1 ZINC000065449275 441435926 /nfs/dbraw/zinc/43/59/26/441435926.db2.gz JRZOMTYCJUMEPE-MRXNPFEDSA-N 2 1 342.447 1.717 50 0 EDAAMP CCC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(CCn2cc[nH+]c2CC)C1=O ZINC000067740760 441675073 /nfs/dbraw/zinc/67/50/73/441675073.db2.gz UYSJLCUDHUSNBE-SFHVURJKSA-N 2 1 347.463 1.536 50 0 EDAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1C ZINC000095384865 441916849 /nfs/dbraw/zinc/91/68/49/441916849.db2.gz VVTFEYMOEJEJCW-OAHLLOKOSA-N 2 1 344.463 1.727 50 0 EDAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](C3CCOCC3)C2)n1C ZINC000095384865 441916853 /nfs/dbraw/zinc/91/68/53/441916853.db2.gz VVTFEYMOEJEJCW-OAHLLOKOSA-N 2 1 344.463 1.727 50 0 EDAAMP CCS[C@@H]1CC[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000095416697 441924594 /nfs/dbraw/zinc/92/45/94/441924594.db2.gz ZIUFRCGEGFNYNZ-HZPDHXFCSA-N 2 1 335.521 1.992 50 0 EDAAMP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)C[C@H](O)C1)C1CCCC1 ZINC000095530027 441951987 /nfs/dbraw/zinc/95/19/87/441951987.db2.gz SJKIZLMWJGQPSX-IBGZPJMESA-N 2 1 345.487 1.566 50 0 EDAAMP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)C[C@H](O)C1)C1CCCC1 ZINC000095530027 441951990 /nfs/dbraw/zinc/95/19/90/441951990.db2.gz SJKIZLMWJGQPSX-IBGZPJMESA-N 2 1 345.487 1.566 50 0 EDAAMP C[NH+](CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1)C1CCCC1 ZINC000095530027 441951994 /nfs/dbraw/zinc/95/19/94/441951994.db2.gz SJKIZLMWJGQPSX-IBGZPJMESA-N 2 1 345.487 1.566 50 0 EDAAMP C[NH+](CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1)C1CCCC1 ZINC000095530027 441952000 /nfs/dbraw/zinc/95/20/00/441952000.db2.gz SJKIZLMWJGQPSX-IBGZPJMESA-N 2 1 345.487 1.566 50 0 EDAAMP C[NH+](C)CCCOc1ccccc1CN1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000215293952 443055315 /nfs/dbraw/zinc/05/53/15/443055315.db2.gz BPQCBJOIXRNIDE-IBGZPJMESA-N 2 1 346.519 1.449 50 0 EDAAMP C[NH+](C)[C@H](C(=O)N1CCC([N@H+](C)CCO)CC1)c1cccc(F)c1 ZINC000222405955 443077342 /nfs/dbraw/zinc/07/73/42/443077342.db2.gz HZSJJNTTXLUIEE-KRWDZBQOSA-N 2 1 337.439 1.344 50 0 EDAAMP C[NH+](C)[C@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)c1cccc(F)c1 ZINC000222405955 443077343 /nfs/dbraw/zinc/07/73/43/443077343.db2.gz HZSJJNTTXLUIEE-KRWDZBQOSA-N 2 1 337.439 1.344 50 0 EDAAMP C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC[NH+](C)CC1 ZINC000426658274 447487487 /nfs/dbraw/zinc/48/74/87/447487487.db2.gz HGMBOYFYCNSVBC-INIZCTEOSA-N 2 1 330.476 1.780 50 0 EDAAMP C[C@@H](C[NH+]1CCc2ccccc2C1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000426658274 447487493 /nfs/dbraw/zinc/48/74/93/447487493.db2.gz HGMBOYFYCNSVBC-INIZCTEOSA-N 2 1 330.476 1.780 50 0 EDAAMP C[C@@H](C[NH+]1CCc2ccccc2C1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000426658274 447487498 /nfs/dbraw/zinc/48/74/98/447487498.db2.gz HGMBOYFYCNSVBC-INIZCTEOSA-N 2 1 330.476 1.780 50 0 EDAAMP Cn1cc(CCC[N@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)cn1 ZINC000244811587 243086298 /nfs/dbraw/zinc/08/62/98/243086298.db2.gz SHHYXVVVRFRJID-SHTZXODSSA-N 2 1 343.479 1.616 50 0 EDAAMP Cn1cc(CCC[N@@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)cn1 ZINC000244811587 243086306 /nfs/dbraw/zinc/08/63/06/243086306.db2.gz SHHYXVVVRFRJID-SHTZXODSSA-N 2 1 343.479 1.616 50 0 EDAAMP CC[C@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC000069739231 203043173 /nfs/dbraw/zinc/04/31/73/203043173.db2.gz HZTMICLIZCJDJM-ZWKOTPCHSA-N 2 1 327.513 1.122 50 0 EDAAMP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000070021955 203071417 /nfs/dbraw/zinc/07/14/17/203071417.db2.gz FGDQZEIQIODHSG-KRWDZBQOSA-N 2 1 325.497 1.414 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1ccncn1)CC[NH+](C)CC2 ZINC000072453498 203227126 /nfs/dbraw/zinc/22/71/26/203227126.db2.gz ZRPBXOWSQVXEAY-QGZVFWFLSA-N 2 1 345.491 1.631 50 0 EDAAMP COc1cc(C)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072424306 203221243 /nfs/dbraw/zinc/22/12/43/203221243.db2.gz DSHUDUWRPNVRNK-DOTOQJQBSA-N 2 1 331.460 1.775 50 0 EDAAMP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000077355560 203382383 /nfs/dbraw/zinc/38/23/83/203382383.db2.gz IHZCSWFSEHLNJA-LJQANCHMSA-N 2 1 343.471 1.414 50 0 EDAAMP O[C@@]1(C[NH2+]CCSCc2cccc(Cl)c2)C[NH2+]CCOC1 ZINC000077489232 203391751 /nfs/dbraw/zinc/39/17/51/203391751.db2.gz LULWWIQJXFBJMJ-OAHLLOKOSA-N 2 1 330.881 1.514 50 0 EDAAMP CC[N@@H+](C)C[C@@H]1CN(Cc2cc(C[NH+](C)C)cs2)C[C@@H]1CO ZINC000091691135 279037797 /nfs/dbraw/zinc/03/77/97/279037797.db2.gz YEQYJDMCLXPSQX-HZPDHXFCSA-N 2 1 325.522 1.802 50 0 EDAAMP CCOC(=O)N1CC[NH+](CC2(c3ccc(C)cn3)CC[NH2+]CC2)CC1 ZINC000065393797 279574432 /nfs/dbraw/zinc/57/44/32/279574432.db2.gz VNBNIOYCZAITFO-UHFFFAOYSA-N 2 1 346.475 1.785 50 0 EDAAMP CCOc1ccc(Br)cc1C[NH2+]CCC[NH2+]CCO ZINC000013733007 441166222 /nfs/dbraw/zinc/16/62/22/441166222.db2.gz FOXIKQLJZGPASH-UHFFFAOYSA-N 2 1 331.254 1.909 50 0 EDAAMP Cc1ncccc1OC1(C(=O)NCC[C@@H]2CCC[N@@H+]2C)CC[NH2+]CC1 ZINC000065531268 441453064 /nfs/dbraw/zinc/45/30/64/441453064.db2.gz NKCJXDLGDANKMQ-INIZCTEOSA-N 2 1 346.475 1.492 50 0 EDAAMP COC[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccc(NC(C)=O)cc2)CC1 ZINC000089800828 441580521 /nfs/dbraw/zinc/58/05/21/441580521.db2.gz HFYVLBFOMFWRGC-SFHVURJKSA-N 2 1 335.448 1.206 50 0 EDAAMP CC[N@H+]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000089977248 441609133 /nfs/dbraw/zinc/60/91/33/441609133.db2.gz FUZYQNMRPPSNRB-GOSISDBHSA-N 2 1 332.492 1.897 50 0 EDAAMP CCC[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1NC(=O)CCn1cc[nH+]c1C ZINC000091757141 441736398 /nfs/dbraw/zinc/73/63/98/441736398.db2.gz JTVIHUKVSCKRCM-WMZOPIPTSA-N 2 1 348.491 1.977 50 0 EDAAMP CCC[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1NC(=O)CCn1cc[nH+]c1C ZINC000091757141 441736408 /nfs/dbraw/zinc/73/64/08/441736408.db2.gz JTVIHUKVSCKRCM-WMZOPIPTSA-N 2 1 348.491 1.977 50 0 EDAAMP COC[C@@H](O)C[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000193057028 442708802 /nfs/dbraw/zinc/70/88/02/442708802.db2.gz LAMWRRUQSZALML-LPHOPBHVSA-N 2 1 333.476 1.995 50 0 EDAAMP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000252476850 443025571 /nfs/dbraw/zinc/02/55/71/443025571.db2.gz CMKQQSKNKVUYBV-NEWSRXKRSA-N 2 1 345.487 1.876 50 0 EDAAMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000252476850 443025574 /nfs/dbraw/zinc/02/55/74/443025574.db2.gz CMKQQSKNKVUYBV-NEWSRXKRSA-N 2 1 345.487 1.876 50 0 EDAAMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000252476850 443025576 /nfs/dbraw/zinc/02/55/76/443025576.db2.gz CMKQQSKNKVUYBV-NEWSRXKRSA-N 2 1 345.487 1.876 50 0 EDAAMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000252476850 443025581 /nfs/dbraw/zinc/02/55/81/443025581.db2.gz CMKQQSKNKVUYBV-NEWSRXKRSA-N 2 1 345.487 1.876 50 0 EDAAMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000195548999 443031569 /nfs/dbraw/zinc/03/15/69/443031569.db2.gz YTAFLBJJILSQGS-GXTWGEPZSA-N 2 1 345.534 1.655 50 0 EDAAMP CC[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@]2(CCOC2)O1 ZINC000252551073 443042814 /nfs/dbraw/zinc/04/28/14/443042814.db2.gz TXSXLCFRNMHYCZ-OALUTQOASA-N 2 1 339.524 1.672 50 0 EDAAMP Cc1c(C[NH2+]CCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cnn1C ZINC000253369484 443051072 /nfs/dbraw/zinc/05/10/72/443051072.db2.gz DBRJHJLHTHFUQX-IBGZPJMESA-N 2 1 327.476 1.807 50 0 EDAAMP C[N@@H+](CCNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000241965634 443209526 /nfs/dbraw/zinc/20/95/26/443209526.db2.gz UUOODDHUNVNQLF-ZWKOTPCHSA-N 2 1 346.475 1.281 50 0 EDAAMP C[NH+](CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000241965634 443209530 /nfs/dbraw/zinc/20/95/30/443209530.db2.gz UUOODDHUNVNQLF-ZWKOTPCHSA-N 2 1 346.475 1.281 50 0 EDAAMP C[NH+](CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000241965634 443209535 /nfs/dbraw/zinc/20/95/35/443209535.db2.gz UUOODDHUNVNQLF-ZWKOTPCHSA-N 2 1 346.475 1.281 50 0 EDAAMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662787621 453522999 /nfs/dbraw/zinc/52/29/99/453522999.db2.gz DPFNLUWNQSPIDG-AWEZNQCLSA-N 2 1 333.480 1.823 50 0 EDAAMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000097698619 219049958 /nfs/dbraw/zinc/04/99/58/219049958.db2.gz OMBDBZJGKOCFSD-SFHVURJKSA-N 2 1 333.476 1.711 50 0 EDAAMP CC[C@H]1CN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC000229513825 201041199 /nfs/dbraw/zinc/04/11/99/201041199.db2.gz HZTMICLIZCJDJM-ROUUACIJSA-N 2 1 327.513 1.122 50 0 EDAAMP CC(C)([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072133114 203167385 /nfs/dbraw/zinc/16/73/85/203167385.db2.gz VJSYVJZRMCCIFN-OAHLLOKOSA-N 2 1 348.466 1.676 50 0 EDAAMP C[N@@H+](CCO)C[C@@H]1C[NH+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091452253 218008991 /nfs/dbraw/zinc/00/89/91/218008991.db2.gz LNSMBAQPMYHRCT-WOJBJXKFSA-N 2 1 328.456 1.804 50 0 EDAAMP C[NH+](CCO)C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091452253 218008994 /nfs/dbraw/zinc/00/89/94/218008994.db2.gz LNSMBAQPMYHRCT-WOJBJXKFSA-N 2 1 328.456 1.804 50 0 EDAAMP C[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091452253 218008995 /nfs/dbraw/zinc/00/89/95/218008995.db2.gz LNSMBAQPMYHRCT-WOJBJXKFSA-N 2 1 328.456 1.804 50 0 EDAAMP CC[N@@H+](C[C@@H](O)CO)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012199044 441129047 /nfs/dbraw/zinc/12/90/47/441129047.db2.gz BYFSZLZFBQIJBE-HXUWFJFHSA-N 2 1 334.504 1.925 50 0 EDAAMP CN1CCC([N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583639 441136774 /nfs/dbraw/zinc/13/67/74/441136774.db2.gz ZLWPGZQQAYONAZ-QGZVFWFLSA-N 2 1 336.524 1.537 50 0 EDAAMP CN1CCC([N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583639 441136776 /nfs/dbraw/zinc/13/67/76/441136776.db2.gz ZLWPGZQQAYONAZ-QGZVFWFLSA-N 2 1 336.524 1.537 50 0 EDAAMP O[C@@]1(C[NH+]2CCC(Oc3ncccn3)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063872356 441360812 /nfs/dbraw/zinc/36/08/12/441360812.db2.gz CKUVSOSMGPALOW-IEBWSBKVSA-N 2 1 346.475 1.699 50 0 EDAAMP O[C@@]1(C[NH+]2CCC(Oc3ncccn3)CC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063872356 441360815 /nfs/dbraw/zinc/36/08/15/441360815.db2.gz CKUVSOSMGPALOW-IEBWSBKVSA-N 2 1 346.475 1.699 50 0 EDAAMP CCn1c(CC2CC[NH+](C[C@@H]3CCC[N@@H+](CC)C3)CC2)nn(C)c1=O ZINC000065387737 441423264 /nfs/dbraw/zinc/42/32/64/441423264.db2.gz YJWGNUIMDXPLLC-QGZVFWFLSA-N 2 1 349.523 1.588 50 0 EDAAMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000089840245 441585209 /nfs/dbraw/zinc/58/52/09/441585209.db2.gz FYHKEOUGQMUQBF-ZBFHGGJFSA-N 2 1 338.496 1.520 50 0 EDAAMP CCCCSc1nc(N2CCC[C@@](O)(C[NH+](C)C)C2)cc(N)[nH+]1 ZINC000095381164 441916786 /nfs/dbraw/zinc/91/67/86/441916786.db2.gz OZVWUXLEIPDUNL-MRXNPFEDSA-N 2 1 339.509 1.844 50 0 EDAAMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCN(C=O)CC3)CC2)cs1 ZINC000170088893 442228643 /nfs/dbraw/zinc/22/86/43/442228643.db2.gz DGTLCFKVLOZGCI-UHFFFAOYSA-N 2 1 336.505 1.874 50 0 EDAAMP Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000252537092 443042152 /nfs/dbraw/zinc/04/21/52/443042152.db2.gz KGVZLRMNQGKYKE-OKILXGFUSA-N 2 1 331.468 1.424 50 0 EDAAMP Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000252537092 443042156 /nfs/dbraw/zinc/04/21/56/443042156.db2.gz KGVZLRMNQGKYKE-OKILXGFUSA-N 2 1 331.468 1.424 50 0 EDAAMP C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000219838444 443061204 /nfs/dbraw/zinc/06/12/04/443061204.db2.gz AAMNBDXCPFJUGG-SQNIBIBYSA-N 2 1 331.460 1.174 50 0 EDAAMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000237410218 443170750 /nfs/dbraw/zinc/17/07/50/443170750.db2.gz HCIIGLWYNCFEDX-IIDMSEBBSA-N 2 1 331.460 1.664 50 0 EDAAMP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CC[C@@H](C[NH+](C)C)[C@H](O)C1 ZINC000584893535 448668148 /nfs/dbraw/zinc/66/81/48/448668148.db2.gz YYRBYOTWAXPTDN-WCQYABFASA-N 2 1 332.370 1.548 50 0 EDAAMP O[C@H]1CN(C2CC[NH2+]CC2)CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000097785353 219057498 /nfs/dbraw/zinc/05/74/98/219057498.db2.gz OVTHREGCCXRXJB-GOSISDBHSA-N 2 1 340.471 1.465 50 0 EDAAMP CCn1ccnc1C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067650705 215173858 /nfs/dbraw/zinc/17/38/58/215173858.db2.gz DZYPZTDUFVHJHG-HNNXBMFYSA-N 2 1 333.480 1.503 50 0 EDAAMP CCn1ccnc1C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067650705 215173861 /nfs/dbraw/zinc/17/38/61/215173861.db2.gz DZYPZTDUFVHJHG-HNNXBMFYSA-N 2 1 333.480 1.503 50 0 EDAAMP C[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072135267 216023930 /nfs/dbraw/zinc/02/39/30/216023930.db2.gz GMEYPLRQIMKMLX-OAHLLOKOSA-N 2 1 334.439 1.158 50 0 EDAAMP OC[C@@H]1CCCC[N@H+]1CCCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072407633 216197832 /nfs/dbraw/zinc/19/78/32/216197832.db2.gz IZLIYMOKGVANLZ-HNNXBMFYSA-N 2 1 344.463 1.087 50 0 EDAAMP CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)[nH]1 ZINC000072423428 216212866 /nfs/dbraw/zinc/21/28/66/216212866.db2.gz FODKAVGQLANQSE-GOEBONIOSA-N 2 1 333.480 1.442 50 0 EDAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072469675 216249128 /nfs/dbraw/zinc/24/91/28/216249128.db2.gz RBMRQPKGWLPCPZ-OAHLLOKOSA-N 2 1 333.480 1.564 50 0 EDAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCCCNc1cccnc1)CC[NH2+]CC2 ZINC000072476729 216254271 /nfs/dbraw/zinc/25/42/71/216254271.db2.gz RVQPKPIWARRZMA-MRXNPFEDSA-N 2 1 331.464 1.074 50 0 EDAAMP OC[C@]1(O)CC[N@@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000216505645 241198987 /nfs/dbraw/zinc/19/89/87/241198987.db2.gz NNCSUKLYYDQIQL-FQEVSTJZSA-N 2 1 348.487 1.871 50 0 EDAAMP CC1=C(C(=O)N2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)OCCO1 ZINC000020295827 212116586 /nfs/dbraw/zinc/11/65/86/212116586.db2.gz HRKQKSMJRLPUHS-HNNXBMFYSA-N 2 1 325.453 1.139 50 0 EDAAMP CC1=C(C(=O)N2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)OCCO1 ZINC000020295827 212116588 /nfs/dbraw/zinc/11/65/88/212116588.db2.gz HRKQKSMJRLPUHS-HNNXBMFYSA-N 2 1 325.453 1.139 50 0 EDAAMP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)C1 ZINC000095375183 218307222 /nfs/dbraw/zinc/30/72/22/218307222.db2.gz BUECXAJPPMQZGW-GOSISDBHSA-N 2 1 332.492 1.753 50 0 EDAAMP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)C1 ZINC000095375183 218307224 /nfs/dbraw/zinc/30/72/24/218307224.db2.gz BUECXAJPPMQZGW-GOSISDBHSA-N 2 1 332.492 1.753 50 0 EDAAMP CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000095422244 218365442 /nfs/dbraw/zinc/36/54/42/218365442.db2.gz OJBAMEBLFFDMSW-MRXNPFEDSA-N 2 1 343.537 1.797 50 0 EDAAMP CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000095422244 218365444 /nfs/dbraw/zinc/36/54/44/218365444.db2.gz OJBAMEBLFFDMSW-MRXNPFEDSA-N 2 1 343.537 1.797 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000299741979 258009745 /nfs/dbraw/zinc/00/97/45/258009745.db2.gz ANRKWHZOPSJLOS-AYBZRNKSSA-N 2 1 330.476 1.940 50 0 EDAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000237415299 288212375 /nfs/dbraw/zinc/21/23/75/288212375.db2.gz OOQWUXVSFMKECC-RKVPGOIHSA-N 2 1 331.460 1.859 50 0 EDAAMP Cc1ccccc1CNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000071871580 441177549 /nfs/dbraw/zinc/17/75/49/441177549.db2.gz YFHZNWYVNWLOIL-QGZVFWFLSA-N 2 1 347.503 1.636 50 0 EDAAMP NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071765345 441153584 /nfs/dbraw/zinc/15/35/84/441153584.db2.gz RUDFCJGZPHARKQ-QGZVFWFLSA-N 2 1 327.472 1.816 50 0 EDAAMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+]1CCN(C)C[C@H]1c1ccccc1 ZINC000063466465 441331091 /nfs/dbraw/zinc/33/10/91/441331091.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 2 1 346.519 1.822 50 0 EDAAMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000063466465 441331094 /nfs/dbraw/zinc/33/10/94/441331094.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 2 1 346.519 1.822 50 0 EDAAMP CC(C)[NH+](C)CC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000063466465 441331098 /nfs/dbraw/zinc/33/10/98/441331098.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 2 1 346.519 1.822 50 0 EDAAMP CC(C)[N@H+](C)CC(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000063466465 441331103 /nfs/dbraw/zinc/33/11/03/441331103.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 2 1 346.519 1.822 50 0 EDAAMP CC(C)[N@@H+](C)CC(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000063466465 441331106 /nfs/dbraw/zinc/33/11/06/441331106.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 2 1 346.519 1.822 50 0 EDAAMP CC(C)[NH+](C)CC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000063466465 441331111 /nfs/dbraw/zinc/33/11/11/441331111.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 2 1 346.519 1.822 50 0 EDAAMP CC(C)[NH+](C)CC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000063466465 441331115 /nfs/dbraw/zinc/33/11/15/441331115.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 2 1 346.519 1.822 50 0 EDAAMP C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1CCOc1ccccc1 ZINC000248044183 442879442 /nfs/dbraw/zinc/87/94/42/442879442.db2.gz PDWFORXAMTUHKR-PKOBYXMFSA-N 2 1 333.476 1.402 50 0 EDAAMP C[NH+]1CCC[C@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000253369286 443051185 /nfs/dbraw/zinc/05/11/85/443051185.db2.gz APOTXYFRFZVBNI-OALUTQOASA-N 2 1 345.487 1.601 50 0 EDAAMP CCc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)nc1 ZINC000067965646 215262801 /nfs/dbraw/zinc/26/28/01/215262801.db2.gz JSCWHYDBCHOTIQ-MRXNPFEDSA-N 2 1 330.476 1.854 50 0 EDAAMP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@H]1CCN(c2ccccc2)C1 ZINC000072131988 216020201 /nfs/dbraw/zinc/02/02/01/216020201.db2.gz ZCOVFPUXTRAOBH-MRXNPFEDSA-N 2 1 325.460 1.945 50 0 EDAAMP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@H]1CCN(c2ccccc2)C1 ZINC000072131988 216020204 /nfs/dbraw/zinc/02/02/04/216020204.db2.gz ZCOVFPUXTRAOBH-MRXNPFEDSA-N 2 1 325.460 1.945 50 0 EDAAMP [NH3+]CC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072151957 216041014 /nfs/dbraw/zinc/04/10/14/216041014.db2.gz LKBWUAWYEQIXMQ-INIZCTEOSA-N 2 1 336.867 1.412 50 0 EDAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cnc(C(C)C)nc3)CC[C@H]21 ZINC000072457086 216242683 /nfs/dbraw/zinc/24/26/83/216242683.db2.gz WGORWSXRMKOYAW-DLBZAZTESA-N 2 1 345.491 1.632 50 0 EDAAMP COCC[N@H+](C)C[C@@H]1CN(c2ccc3c([nH+]2)CCCC3)C[C@@H]1CO ZINC000091593770 218028296 /nfs/dbraw/zinc/02/82/96/218028296.db2.gz PXAZQCGXSNLWEE-IAGOWNOFSA-N 2 1 333.476 1.583 50 0 EDAAMP COCC[N@@H+](C)C[C@@H]1CN(c2ccc3c([nH+]2)CCCC3)C[C@@H]1CO ZINC000091593770 218028298 /nfs/dbraw/zinc/02/82/98/218028298.db2.gz PXAZQCGXSNLWEE-IAGOWNOFSA-N 2 1 333.476 1.583 50 0 EDAAMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]1[NH3+])CC2 ZINC000408525510 250302672 /nfs/dbraw/zinc/30/26/72/250302672.db2.gz MLVLZAJHQQECDJ-HZPDHXFCSA-N 2 1 347.459 1.306 50 0 EDAAMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]1[NH3+])CC2 ZINC000408525510 250302677 /nfs/dbraw/zinc/30/26/77/250302677.db2.gz MLVLZAJHQQECDJ-HZPDHXFCSA-N 2 1 347.459 1.306 50 0 EDAAMP COc1ccc2[nH]c(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)c(C)c2c1 ZINC000097553179 219035663 /nfs/dbraw/zinc/03/56/63/219035663.db2.gz RVDOFQQQFXMXRV-HNNXBMFYSA-N 2 1 328.460 1.964 50 0 EDAAMP COc1ccc([C@H]2NC(=[NH2+])NC(=[NH2+])N2c2ccccc2)cc1OC ZINC000003189609 440890175 /nfs/dbraw/zinc/89/01/75/440890175.db2.gz IESWMFRLFQDMQM-HNNXBMFYSA-N 2 1 325.372 1.852 50 0 EDAAMP COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)C[NH+](C)C)C1 ZINC000015061841 441194120 /nfs/dbraw/zinc/19/41/20/441194120.db2.gz UBXNVSFDBOLRKB-KRWDZBQOSA-N 2 1 347.503 1.970 50 0 EDAAMP COC[C@@H]([NH3+])C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082166770 441338832 /nfs/dbraw/zinc/33/88/32/441338832.db2.gz ZIKJEEDTNDCOMQ-QGZVFWFLSA-N 2 1 349.479 1.011 50 0 EDAAMP CC[N@@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000095512192 441944597 /nfs/dbraw/zinc/94/45/97/441944597.db2.gz CMLZWSTXTHMCCA-IBGZPJMESA-N 2 1 347.503 1.658 50 0 EDAAMP CC[N@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000095512192 441944613 /nfs/dbraw/zinc/94/46/13/441944613.db2.gz CMLZWSTXTHMCCA-IBGZPJMESA-N 2 1 347.503 1.658 50 0 EDAAMP CC[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000095512192 441944619 /nfs/dbraw/zinc/94/46/19/441944619.db2.gz CMLZWSTXTHMCCA-IBGZPJMESA-N 2 1 347.503 1.658 50 0 EDAAMP CN1CCC[N@@H+](C[C@@H]2COc3ccccc3O2)CC12CC[NH2+]CC2 ZINC000252479587 443026391 /nfs/dbraw/zinc/02/63/91/443026391.db2.gz BICQLPCXTHLZKW-MRXNPFEDSA-N 2 1 331.460 1.586 50 0 EDAAMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000253412072 443059135 /nfs/dbraw/zinc/05/91/35/443059135.db2.gz PTPSDVYTJDNRQP-GOEBONIOSA-N 2 1 334.464 1.828 50 0 EDAAMP CC(C)[NH+]1CCC([N@H+]2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000253412072 443059138 /nfs/dbraw/zinc/05/91/38/443059138.db2.gz PTPSDVYTJDNRQP-GOEBONIOSA-N 2 1 334.464 1.828 50 0 EDAAMP NC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1COc1ccncc1 ZINC000257194513 443122387 /nfs/dbraw/zinc/12/23/87/443122387.db2.gz UFIKOOOKBCHBBG-XJKSGUPXSA-N 2 1 347.365 1.972 50 0 EDAAMP NC(=O)[C@@H]1CN(Cc2cc(F)ccc2F)C[C@H]1COc1ccncc1 ZINC000257194513 443122391 /nfs/dbraw/zinc/12/23/91/443122391.db2.gz UFIKOOOKBCHBBG-XJKSGUPXSA-N 2 1 347.365 1.972 50 0 EDAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000299739100 444128715 /nfs/dbraw/zinc/12/87/15/444128715.db2.gz KMSXDSNQHMHWJI-BPQIPLTHSA-N 2 1 346.475 1.177 50 0 EDAAMP Cc1nc(CC[NH3+])cc(N2CCC[N@@H+](Cc3ccccn3)CC2)n1 ZINC000067935416 215253922 /nfs/dbraw/zinc/25/39/22/215253922.db2.gz SICHCUHOUBSZOI-UHFFFAOYSA-N 2 1 326.448 1.394 50 0 EDAAMP C[NH2+]CC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072129403 216019044 /nfs/dbraw/zinc/01/90/44/216019044.db2.gz MMAJDISQGKQDFV-KBAYOESNSA-N 2 1 335.398 1.573 50 0 EDAAMP Cc1nc(CCNC(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)sc1C ZINC000072409910 216201107 /nfs/dbraw/zinc/20/11/07/216201107.db2.gz AJGOWPKGNHWKIT-CQSZACIVSA-N 2 1 336.505 1.493 50 0 EDAAMP C[NH+](C)[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000044893414 440901891 /nfs/dbraw/zinc/90/18/91/440901891.db2.gz RSRHSVDSPHRVTC-MRXNPFEDSA-N 2 1 343.431 1.809 50 0 EDAAMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069951316 441096116 /nfs/dbraw/zinc/09/61/16/441096116.db2.gz KWZPXNSJHBBATG-NVXWUHKLSA-N 2 1 325.497 1.317 50 0 EDAAMP CCn1c(CC2CC[NH+](C[C@H]3CCC[N@@H+](CC)C3)CC2)nn(C)c1=O ZINC000065387739 441422833 /nfs/dbraw/zinc/42/28/33/441422833.db2.gz YJWGNUIMDXPLLC-KRWDZBQOSA-N 2 1 349.523 1.588 50 0 EDAAMP CCCc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)on1 ZINC000065393674 441423143 /nfs/dbraw/zinc/42/31/43/441423143.db2.gz XXHNXOMBFUNRNT-AUUYWEPGSA-N 2 1 346.475 1.707 50 0 EDAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCCNS(C)(=O)=O)C2)c1 ZINC000065474195 441441085 /nfs/dbraw/zinc/44/10/85/441441085.db2.gz HZBUGWMLHLYGFA-AWEZNQCLSA-N 2 1 326.466 1.063 50 0 EDAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCCNS(C)(=O)=O)C2)c1 ZINC000065474195 441441087 /nfs/dbraw/zinc/44/10/87/441441087.db2.gz HZBUGWMLHLYGFA-AWEZNQCLSA-N 2 1 326.466 1.063 50 0 EDAAMP Cc1cc(F)ccc1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091320205 441694921 /nfs/dbraw/zinc/69/49/21/441694921.db2.gz QJBFQQNOANFXAR-RTBURBONSA-N 2 1 349.494 1.812 50 0 EDAAMP Cc1cc(F)ccc1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091320205 441694926 /nfs/dbraw/zinc/69/49/26/441694926.db2.gz QJBFQQNOANFXAR-RTBURBONSA-N 2 1 349.494 1.812 50 0 EDAAMP Cc1cc(F)ccc1C[N@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091320205 441694928 /nfs/dbraw/zinc/69/49/28/441694928.db2.gz QJBFQQNOANFXAR-RTBURBONSA-N 2 1 349.494 1.812 50 0 EDAAMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C[NH+](C3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000096131023 442041292 /nfs/dbraw/zinc/04/12/92/442041292.db2.gz IHLBMTYXPVJYSD-VQIMIIECSA-N 2 1 346.475 1.843 50 0 EDAAMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C[NH+](C3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000096131023 442041295 /nfs/dbraw/zinc/04/12/95/442041295.db2.gz IHLBMTYXPVJYSD-VQIMIIECSA-N 2 1 346.475 1.843 50 0 EDAAMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2C[N@@H+](C3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000096131023 442041298 /nfs/dbraw/zinc/04/12/98/442041298.db2.gz IHLBMTYXPVJYSD-VQIMIIECSA-N 2 1 346.475 1.843 50 0 EDAAMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2C[N@H+](C3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000096131023 442041300 /nfs/dbraw/zinc/04/13/00/442041300.db2.gz IHLBMTYXPVJYSD-VQIMIIECSA-N 2 1 346.475 1.843 50 0 EDAAMP CCc1nc(C)cc(NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000252492183 443032455 /nfs/dbraw/zinc/03/24/55/443032455.db2.gz MFHDABAEDVQYJQ-UHFFFAOYSA-N 2 1 341.463 1.762 50 0 EDAAMP C[NH+]1CCC2(CC[N@H+](Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C3CC3)C2)CC1 ZINC000252572160 443043801 /nfs/dbraw/zinc/04/38/01/443043801.db2.gz YWLPUBGKEICIDJ-GASCZTMLSA-N 3 1 344.507 1.735 50 0 EDAAMP C[NH+]1CCC2(CC[N@@H+](Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C3CC3)C2)CC1 ZINC000252572160 443043805 /nfs/dbraw/zinc/04/38/05/443043805.db2.gz YWLPUBGKEICIDJ-GASCZTMLSA-N 3 1 344.507 1.735 50 0 EDAAMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000253406302 443057214 /nfs/dbraw/zinc/05/72/14/443057214.db2.gz XZXLJUWOJHGICG-MSOLQXFVSA-N 2 1 337.508 1.822 50 0 EDAAMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000054383286 535756297 /nfs/dbraw/zinc/75/62/97/535756297.db2.gz RQQRQPZXOVFLCT-OAHLLOKOSA-N 2 1 331.464 1.654 50 0 EDAAMP [NH3+]C1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc4nonc4c3)C2)CCCC1 ZINC000067885930 215240955 /nfs/dbraw/zinc/24/09/55/215240955.db2.gz XTMWXKGJIGBWCO-CQSZACIVSA-N 2 1 343.431 1.432 50 0 EDAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCc1cccnc1)CC[NH+](C)CC2 ZINC000072476284 216254602 /nfs/dbraw/zinc/25/46/02/216254602.db2.gz MJZLOIJOKRFWLJ-SFHVURJKSA-N 2 1 344.503 1.937 50 0 EDAAMP CO[C@H]1CC[N@@H+](Cc2ccccc2OCCN2CC[NH+](C)CC2)C1 ZINC000215609191 241134535 /nfs/dbraw/zinc/13/45/35/241134535.db2.gz VXSSBPXDDPOCTE-SFHVURJKSA-N 2 1 333.476 1.534 50 0 EDAAMP Nc1nc(N2CCC[N@@H+](C3CCCC3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000219597465 241397767 /nfs/dbraw/zinc/39/77/67/241397767.db2.gz MYKDLLKXBGPNEG-UHFFFAOYSA-N 2 1 331.464 1.752 50 0 EDAAMP Nc1nc(N2CCC[N@H+](C3CCCC3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000219597465 241397773 /nfs/dbraw/zinc/39/77/73/241397773.db2.gz MYKDLLKXBGPNEG-UHFFFAOYSA-N 2 1 331.464 1.752 50 0 EDAAMP CCOCC[NH+]1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)CC1 ZINC000244690916 243057508 /nfs/dbraw/zinc/05/75/08/243057508.db2.gz IZIWXYLPUBCVSQ-WKILWMFISA-N 2 1 345.491 1.717 50 0 EDAAMP CC[NH+]1CCN(Cc2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)CC1 ZINC000019790118 212066295 /nfs/dbraw/zinc/06/62/95/212066295.db2.gz JQVOAGJRXXHLFW-UHFFFAOYSA-N 2 1 342.447 1.223 50 0 EDAAMP CCc1[nH+]ccn1CCC(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(OC)cc2)C1 ZINC000091643571 218036859 /nfs/dbraw/zinc/03/68/59/218036859.db2.gz ZTGXTGNMOLXEFT-SJORKVTESA-N 2 1 342.443 1.798 50 0 EDAAMP CC[N@H+]1CCC[C@@](C)(C(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)C1 ZINC000095382122 218314798 /nfs/dbraw/zinc/31/47/98/218314798.db2.gz ITYVPNGNASWUDK-GOSISDBHSA-N 2 1 346.479 1.138 50 0 EDAAMP C[C@H](CC[NH+]1CCCC1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400529 218334307 /nfs/dbraw/zinc/33/43/07/218334307.db2.gz YAYRMASEPJERDX-IEBWSBKVSA-N 2 1 345.487 1.878 50 0 EDAAMP C[C@H](CC[NH+]1CCCC1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400529 218334310 /nfs/dbraw/zinc/33/43/10/218334310.db2.gz YAYRMASEPJERDX-IEBWSBKVSA-N 2 1 345.487 1.878 50 0 EDAAMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000299797286 258101910 /nfs/dbraw/zinc/10/19/10/258101910.db2.gz MYXGOELNKOSCGH-SFHVURJKSA-N 2 1 331.460 1.957 50 0 EDAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000069973954 258063728 /nfs/dbraw/zinc/06/37/28/258063728.db2.gz OYZPVZHFVRAORR-MRXNPFEDSA-N 2 1 347.503 1.913 50 0 EDAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2Cn2cccn2)CC1 ZINC000069929718 441092419 /nfs/dbraw/zinc/09/24/19/441092419.db2.gz JTHUMGGYZRGOHB-QGZVFWFLSA-N 2 1 333.480 1.338 50 0 EDAAMP C[C@H](C(=O)N1CCCC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583018 441359988 /nfs/dbraw/zinc/35/99/88/441359988.db2.gz FUDGXAFJNHQGQV-IXDOHACOSA-N 2 1 337.508 1.819 50 0 EDAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)c1 ZINC000097200773 442184497 /nfs/dbraw/zinc/18/44/97/442184497.db2.gz RHUATQNDHRSJJS-AWEZNQCLSA-N 2 1 345.447 1.454 50 0 EDAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)c1 ZINC000097200773 442184505 /nfs/dbraw/zinc/18/45/05/442184505.db2.gz RHUATQNDHRSJJS-AWEZNQCLSA-N 2 1 345.447 1.454 50 0 EDAAMP COCC[NH+]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000194468126 442902660 /nfs/dbraw/zinc/90/26/60/442902660.db2.gz MTYYMPLKPTZCDZ-GOSISDBHSA-N 2 1 348.491 1.571 50 0 EDAAMP C[NH+]1CCC[C@@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000253369285 443050779 /nfs/dbraw/zinc/05/07/79/443050779.db2.gz APOTXYFRFZVBNI-MOPGFXCFSA-N 2 1 345.487 1.601 50 0 EDAAMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2F)CC1 ZINC000236992347 443154246 /nfs/dbraw/zinc/15/42/46/443154246.db2.gz VIJZNDJEBWZMCN-UHFFFAOYSA-N 2 1 348.466 1.779 50 0 EDAAMP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[N@@H+](C)C2)CC1 ZINC000054383287 535755155 /nfs/dbraw/zinc/75/51/55/535755155.db2.gz RQQRQPZXOVFLCT-HNNXBMFYSA-N 2 1 331.464 1.654 50 0 EDAAMP CC(C)C[N@H+]1CCN(C(=O)C[NH+](C)C2CCCC2)C[C@H]1CCO ZINC000952990324 708030491 /nfs/dbraw/zinc/03/04/91/708030491.db2.gz VPSHAWIMXRAQGG-QGZVFWFLSA-N 2 1 325.497 1.412 50 0 EDAAMP CC(C)C[NH+]1CCN(C(=O)C[N@H+](C)C2CCCC2)C[C@H]1CCO ZINC000952990324 708030493 /nfs/dbraw/zinc/03/04/93/708030493.db2.gz VPSHAWIMXRAQGG-QGZVFWFLSA-N 2 1 325.497 1.412 50 0 EDAAMP CC(C)C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCCC2)C[C@H]1CCO ZINC000952990324 708030494 /nfs/dbraw/zinc/03/04/94/708030494.db2.gz VPSHAWIMXRAQGG-QGZVFWFLSA-N 2 1 325.497 1.412 50 0 EDAAMP CCc1nn(C)c(Cl)c1C[N@@H+]1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067541034 215159264 /nfs/dbraw/zinc/15/92/64/215159264.db2.gz SDNCPAAORQYVOA-UHFFFAOYSA-N 2 1 339.915 1.848 50 0 EDAAMP CCc1nn(C)c(Cl)c1C[N@H+]1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067541034 215159268 /nfs/dbraw/zinc/15/92/68/215159268.db2.gz SDNCPAAORQYVOA-UHFFFAOYSA-N 2 1 339.915 1.848 50 0 EDAAMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000072150348 216037909 /nfs/dbraw/zinc/03/79/09/216037909.db2.gz YLABDDCKOZUQEN-KRWDZBQOSA-N 2 1 340.489 1.239 50 0 EDAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000072150348 216037912 /nfs/dbraw/zinc/03/79/12/216037912.db2.gz YLABDDCKOZUQEN-KRWDZBQOSA-N 2 1 340.489 1.239 50 0 EDAAMP C[NH+](C)C1(CNC(=O)NCC[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000072283412 216113208 /nfs/dbraw/zinc/11/32/08/216113208.db2.gz USPKMKCSTPKLDS-UHFFFAOYSA-N 2 1 348.491 1.528 50 0 EDAAMP CCc1c[nH+]c(N)nc1N1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000091877198 218082910 /nfs/dbraw/zinc/08/29/10/218082910.db2.gz STRJMUKTKLXRBB-CQSZACIVSA-N 2 1 332.496 1.474 50 0 EDAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC2(c3cccc(F)c3)CCCC2)C1 ZINC000096152842 218629605 /nfs/dbraw/zinc/62/96/05/218629605.db2.gz QBZKHTJOPWPNHA-OXQOHEQNSA-N 2 1 345.462 1.905 50 0 EDAAMP CN(Cc1cccnc1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071752760 441152053 /nfs/dbraw/zinc/15/20/53/441152053.db2.gz CPWXQOSNIVJSGJ-KRWDZBQOSA-N 2 1 330.476 1.846 50 0 EDAAMP CN(Cc1cccnc1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071752760 441152055 /nfs/dbraw/zinc/15/20/55/441152055.db2.gz CPWXQOSNIVJSGJ-KRWDZBQOSA-N 2 1 330.476 1.846 50 0 EDAAMP Cc1cnn(CC[NH2+]CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072267508 441210528 /nfs/dbraw/zinc/21/05/28/441210528.db2.gz WWGUMRIDFUOQMG-GOSISDBHSA-N 2 1 341.459 1.172 50 0 EDAAMP C[C@H](Cn1cccn1)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000075133208 441500858 /nfs/dbraw/zinc/50/08/58/441500858.db2.gz OYSLXMUIXCJKND-SJLPKXTDSA-N 2 1 341.459 1.252 50 0 EDAAMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C[C@H](C)O1 ZINC000090004449 441611979 /nfs/dbraw/zinc/61/19/79/441611979.db2.gz ODPCIIPVZRLGGX-OWCLPIDISA-N 2 1 334.464 1.310 50 0 EDAAMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C[C@H](C)O1 ZINC000090004449 441611984 /nfs/dbraw/zinc/61/19/84/441611984.db2.gz ODPCIIPVZRLGGX-OWCLPIDISA-N 2 1 334.464 1.310 50 0 EDAAMP CCc1[nH+]ccn1CCC(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091808245 441745551 /nfs/dbraw/zinc/74/55/51/441745551.db2.gz IHWFQMPQMKHDEX-IAGOWNOFSA-N 2 1 348.491 1.388 50 0 EDAAMP C[N@@H+](CCOC[C@@H]1CCCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095400875 441921668 /nfs/dbraw/zinc/92/16/68/441921668.db2.gz QJKDFPKACDGZPI-SFHVURJKSA-N 2 1 326.481 1.757 50 0 EDAAMP CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000096005994 441979002 /nfs/dbraw/zinc/97/90/02/441979002.db2.gz UAEDOPRRMNRBFE-GOSISDBHSA-N 2 1 346.475 1.100 50 0 EDAAMP CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000096005994 441979005 /nfs/dbraw/zinc/97/90/05/441979005.db2.gz UAEDOPRRMNRBFE-GOSISDBHSA-N 2 1 346.475 1.100 50 0 EDAAMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)c1ccccc1 ZINC000221877364 443073298 /nfs/dbraw/zinc/07/32/98/443073298.db2.gz JZEMOPQANNAVKP-QRVBRYPASA-N 2 1 345.487 1.906 50 0 EDAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CNS(=O)(=O)C2CC2)cc1 ZINC000584892274 448666933 /nfs/dbraw/zinc/66/69/33/448666933.db2.gz IMBBHLYTNJYKMR-CYBMUJFWSA-N 2 1 348.472 1.741 50 0 EDAAMP COCC[N@H+]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCC2)C1 ZINC000670471485 486564637 /nfs/dbraw/zinc/56/46/37/486564637.db2.gz YOQVCSDVJXPYAR-KRWDZBQOSA-N 2 1 337.508 1.870 50 0 EDAAMP Cn1ccnc1C[N@@H+]1CCC[C@H](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000067947441 215256384 /nfs/dbraw/zinc/25/63/84/215256384.db2.gz LNFKFKDUPMRHOF-OAHLLOKOSA-N 2 1 333.480 1.410 50 0 EDAAMP Cn1ccnc1C[N@H+]1CCC[C@H](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000067947441 215256385 /nfs/dbraw/zinc/25/63/85/215256385.db2.gz LNFKFKDUPMRHOF-OAHLLOKOSA-N 2 1 333.480 1.410 50 0 EDAAMP [NH3+]C1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)CCCC1 ZINC000067983490 215267709 /nfs/dbraw/zinc/26/77/09/215267709.db2.gz NRNOMYQDMJROJM-CQSZACIVSA-N 2 1 336.867 1.945 50 0 EDAAMP [NH3+]C1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C2)CCCC1 ZINC000067983490 215267711 /nfs/dbraw/zinc/26/77/11/215267711.db2.gz NRNOMYQDMJROJM-CQSZACIVSA-N 2 1 336.867 1.945 50 0 EDAAMP Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)co1 ZINC000072408751 216200106 /nfs/dbraw/zinc/20/01/06/216200106.db2.gz OFMHEKGZEHUIPJ-FUHWJXTLSA-N 2 1 346.475 1.796 50 0 EDAAMP Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)co1 ZINC000072408751 216200110 /nfs/dbraw/zinc/20/01/10/216200110.db2.gz OFMHEKGZEHUIPJ-FUHWJXTLSA-N 2 1 346.475 1.796 50 0 EDAAMP COCC[N@H+]1CC[C@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072435029 216229210 /nfs/dbraw/zinc/22/92/10/216229210.db2.gz IUIIVKYXPCSOMN-HNNXBMFYSA-N 2 1 344.463 1.208 50 0 EDAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCc1ccc3c(c1)CCCO3)CC[NH2+]CC2 ZINC000072474593 216251638 /nfs/dbraw/zinc/25/16/38/216251638.db2.gz MKZABFJMSSEXGO-KRWDZBQOSA-N 2 1 343.471 1.702 50 0 EDAAMP COCC(=O)N1CCC[N@@H+](CC2=CC[NH+]([C@@H]3C=CCCC3)CC2)CC1 ZINC000216275082 241181145 /nfs/dbraw/zinc/18/11/45/241181145.db2.gz JNJVGJQCYBMDLG-LJQANCHMSA-N 2 1 347.503 1.908 50 0 EDAAMP COCC(=O)N1CCC[NH+](CC2=CC[N@@H+]([C@@H]3C=CCCC3)CC2)CC1 ZINC000216275082 241181147 /nfs/dbraw/zinc/18/11/47/241181147.db2.gz JNJVGJQCYBMDLG-LJQANCHMSA-N 2 1 347.503 1.908 50 0 EDAAMP COCC(=O)N1CCC[NH+](CC2=CC[N@H+]([C@@H]3C=CCCC3)CC2)CC1 ZINC000216275082 241181152 /nfs/dbraw/zinc/18/11/52/241181152.db2.gz JNJVGJQCYBMDLG-LJQANCHMSA-N 2 1 347.503 1.908 50 0 EDAAMP [NH3+]CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CCO1 ZINC000244673599 243053227 /nfs/dbraw/zinc/05/32/27/243053227.db2.gz HSECJLPANZWLND-LBPRGKRZSA-N 2 1 329.803 1.857 50 0 EDAAMP C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC000095397205 218329224 /nfs/dbraw/zinc/32/92/24/218329224.db2.gz QPPBABHCDLIJNO-HNNXBMFYSA-N 2 1 348.466 1.601 50 0 EDAAMP CCS[C@H]1CC[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000095416696 218355951 /nfs/dbraw/zinc/35/59/51/218355951.db2.gz ZIUFRCGEGFNYNZ-HOTGVXAUSA-N 2 1 335.521 1.992 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(-c3ccccc3)nn2)CC1 ZINC000069968850 441097461 /nfs/dbraw/zinc/09/74/61/441097461.db2.gz QMAWDKROGDZJJG-INIZCTEOSA-N 2 1 343.475 1.792 50 0 EDAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn(-c3ccccc3)nn2)CC1 ZINC000069968850 441097466 /nfs/dbraw/zinc/09/74/66/441097466.db2.gz QMAWDKROGDZJJG-INIZCTEOSA-N 2 1 343.475 1.792 50 0 EDAAMP C[N@H+](CC(=O)N1CCc2ccccc2C1)CC1CC[NH+](CCO)CC1 ZINC000071871545 441177368 /nfs/dbraw/zinc/17/73/68/441177368.db2.gz GJTXZTAJVWQQEC-UHFFFAOYSA-N 2 1 345.487 1.207 50 0 EDAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3nccs3)C2)CC1 ZINC000071775692 441153979 /nfs/dbraw/zinc/15/39/79/441153979.db2.gz XLSAUGLXFLVMNX-AWEZNQCLSA-N 2 1 336.505 1.608 50 0 EDAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCc3nccs3)C2)CC1 ZINC000071775692 441153983 /nfs/dbraw/zinc/15/39/83/441153983.db2.gz XLSAUGLXFLVMNX-AWEZNQCLSA-N 2 1 336.505 1.608 50 0 EDAAMP CCC[N@H+]1CCCn2nc(CNC(=O)C[NH+]3CCCCCC3)cc2C1 ZINC000082121776 441335289 /nfs/dbraw/zinc/33/52/89/441335289.db2.gz QUDOGIYTYKJJLN-UHFFFAOYSA-N 2 1 347.507 1.991 50 0 EDAAMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252487228 443029590 /nfs/dbraw/zinc/02/95/90/443029590.db2.gz URIJSQSFNFCDBF-BPQIPLTHSA-N 2 1 331.460 1.881 50 0 EDAAMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252487228 443029591 /nfs/dbraw/zinc/02/95/91/443029591.db2.gz URIJSQSFNFCDBF-BPQIPLTHSA-N 2 1 331.460 1.881 50 0 EDAAMP C[NH+](C)[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000354080319 445890856 /nfs/dbraw/zinc/89/08/56/445890856.db2.gz SGDRWUTYXZHJOX-MRXNPFEDSA-N 2 1 345.422 2.167 50 0 EDAAMP COCC[N@H+]1CC[C@@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670436123 486513071 /nfs/dbraw/zinc/51/30/71/486513071.db2.gz RDXOEWMVZBUDKS-KRWDZBQOSA-N 2 1 337.508 1.870 50 0 EDAAMP