smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NN=c1ncc(Br)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000159252002 206233569 /nfs/dbraw/zinc/23/35/69/206233569.db2.gz JJHAHWQSWUIJSQ-RKDXNWHRSA-N 1 3 327.230 1.563 10 0 EDAEHO NN=c1ncc(Br)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH]1 ZINC000159252002 206233572 /nfs/dbraw/zinc/23/35/72/206233572.db2.gz JJHAHWQSWUIJSQ-RKDXNWHRSA-N 1 3 327.230 1.563 10 0 EDAEHO C[C@@H](C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1)C1C[NH2+]C1 ZINC000262022704 139244453 /nfs/dbraw/zinc/24/44/53/139244453.db2.gz APXPUSVEQDDWGP-UKRRQHHQSA-N 1 3 344.459 1.178 10 0 EDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(C(N)=O)cs2)CC1 ZINC000121149636 442183426 /nfs/dbraw/zinc/18/34/26/442183426.db2.gz URYNUGVUEFINPV-GFCCVEGCSA-N 1 3 325.478 1.372 10 0 EDAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390905114 447507445 /nfs/dbraw/zinc/50/74/45/447507445.db2.gz XUHFKWFKPZQJTK-QXAKKESOSA-N 1 3 345.487 1.782 10 0 EDAEHO C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000175531187 207136351 /nfs/dbraw/zinc/13/63/51/207136351.db2.gz QYQFQTDDZNWWMN-KRWDZBQOSA-N 1 3 346.475 1.835 10 0 EDAEHO C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)N1CCCC[C@H]1C ZINC000262365906 139273620 /nfs/dbraw/zinc/27/36/20/139273620.db2.gz VQSSXYGZVCFMCA-WTTBNOFXSA-N 1 3 333.480 1.102 10 0 EDAEHO CN(c1ccccc1CNC[C@@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000133959638 277003054 /nfs/dbraw/zinc/00/30/54/277003054.db2.gz KVXZLMHHTLMXHK-LJQANCHMSA-N 1 3 346.519 1.637 10 0 EDAEHO CN(C)C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000173952100 441867604 /nfs/dbraw/zinc/86/76/04/441867604.db2.gz ZXEVWMLWCPEOAT-INIZCTEOSA-N 1 3 344.463 1.869 10 0 EDAEHO CCC[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)N(C)C ZINC000121037212 442168280 /nfs/dbraw/zinc/16/82/80/442168280.db2.gz JFWXQAKOMXLJEO-QGZVFWFLSA-N 1 3 338.540 1.783 10 0 EDAEHO CCn1cnnc1[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191587683 442470967 /nfs/dbraw/zinc/47/09/67/442470967.db2.gz BNGYCFOFHWHXCR-GOSISDBHSA-N 1 3 348.539 1.894 10 0 EDAEHO CCn1cnnc1[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191587683 442470972 /nfs/dbraw/zinc/47/09/72/442470972.db2.gz BNGYCFOFHWHXCR-GOSISDBHSA-N 1 3 348.539 1.894 10 0 EDAEHO O=C(NCCC[NH+]1CCCCC1)NC[C@H](O)CN1CCCCC1 ZINC000192801045 442687411 /nfs/dbraw/zinc/68/74/11/442687411.db2.gz FNEDTLWCSFWBHH-INIZCTEOSA-N 1 3 326.485 1.008 10 0 EDAEHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](CN(C)CC)C2)CC1 ZINC000190926132 443210902 /nfs/dbraw/zinc/21/09/02/443210902.db2.gz SWJJYVXTFMZFQO-HJOIGYKYSA-N 1 3 326.481 1.744 10 0 EDAEHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](CN(C)CC)C2)CC1 ZINC000190926132 443210907 /nfs/dbraw/zinc/21/09/07/443210907.db2.gz SWJJYVXTFMZFQO-HJOIGYKYSA-N 1 3 326.481 1.744 10 0 EDAEHO CCOC(=O)C1CCC(O)(CN2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000190926132 443210912 /nfs/dbraw/zinc/21/09/12/443210912.db2.gz SWJJYVXTFMZFQO-HJOIGYKYSA-N 1 3 326.481 1.744 10 0 EDAEHO CCOC(=O)C1CCC(O)(CN2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000190926132 443210917 /nfs/dbraw/zinc/21/09/17/443210917.db2.gz SWJJYVXTFMZFQO-HJOIGYKYSA-N 1 3 326.481 1.744 10 0 EDAEHO C[C@H](NC[C@H]1CN(C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283543 453635443 /nfs/dbraw/zinc/63/54/43/453635443.db2.gz PMZOPSZLXWVEDV-SXLOBPIMSA-N 1 3 330.520 1.780 10 0 EDAEHO COC[C@@H](O)C[N@H+](C)CC[C@@H](N)c1ccccc1Br ZINC000054022710 214210861 /nfs/dbraw/zinc/21/08/61/214210861.db2.gz AJWJJTQNKQVUQT-SMDDNHRTSA-N 1 3 331.254 1.778 10 0 EDAEHO COC[C@@H](O)C[N@@H+](C)CC[C@@H](N)c1ccccc1Br ZINC000054022710 214210864 /nfs/dbraw/zinc/21/08/64/214210864.db2.gz AJWJJTQNKQVUQT-SMDDNHRTSA-N 1 3 331.254 1.778 10 0 EDAEHO CN1CCC(Oc2ccc3c(c2)[C@H](C[NH3+])N(C(C)(C)CO)C3)CC1 ZINC000071685054 203103475 /nfs/dbraw/zinc/10/34/75/203103475.db2.gz RUUYDPSFNAAZKG-SFHVURJKSA-N 1 3 333.476 1.746 10 0 EDAEHO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]2CN2CCCCC2)cn1 ZINC000262273250 139265656 /nfs/dbraw/zinc/26/56/56/139265656.db2.gz NEIQDZPGFKNZRH-KURKYZTESA-N 1 3 345.491 1.200 10 0 EDAEHO CCC[NH+]1CCC(CNC(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000117041840 221026727 /nfs/dbraw/zinc/02/67/27/221026727.db2.gz CQIACOMXFCJKHE-INIZCTEOSA-N 1 3 326.485 1.080 10 0 EDAEHO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184590405 276182382 /nfs/dbraw/zinc/18/23/82/276182382.db2.gz SSGULFDKNBVOMU-OALUTQOASA-N 1 3 346.519 1.822 10 0 EDAEHO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184590405 276182384 /nfs/dbraw/zinc/18/23/84/276182384.db2.gz SSGULFDKNBVOMU-OALUTQOASA-N 1 3 346.519 1.822 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000248087964 277165979 /nfs/dbraw/zinc/16/59/79/277165979.db2.gz SZCCNSNGTFTEJW-BZSNNMDCSA-N 1 3 328.460 1.921 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000248087964 277165981 /nfs/dbraw/zinc/16/59/81/277165981.db2.gz SZCCNSNGTFTEJW-BZSNNMDCSA-N 1 3 328.460 1.921 10 0 EDAEHO CN(C)[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171377505 442344170 /nfs/dbraw/zinc/34/41/70/442344170.db2.gz YMMGHNNRWIYXBI-MOPGFXCFSA-N 1 3 344.503 1.897 10 0 EDAEHO CN(C)[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000171377505 442344171 /nfs/dbraw/zinc/34/41/71/442344171.db2.gz YMMGHNNRWIYXBI-MOPGFXCFSA-N 1 3 344.503 1.897 10 0 EDAEHO CN(C)[C@@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000171375503 442344561 /nfs/dbraw/zinc/34/45/61/442344561.db2.gz WIACHJSGDJGMBX-QGZVFWFLSA-N 1 3 348.491 1.863 10 0 EDAEHO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000249773216 443004628 /nfs/dbraw/zinc/00/46/28/443004628.db2.gz UNZAXCTUPLKLBY-DLBZAZTESA-N 1 3 339.528 1.042 10 0 EDAEHO CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000249773216 443004632 /nfs/dbraw/zinc/00/46/32/443004632.db2.gz UNZAXCTUPLKLBY-DLBZAZTESA-N 1 3 339.528 1.042 10 0 EDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638107818 451275117 /nfs/dbraw/zinc/27/51/17/451275117.db2.gz HVBPWNHXIMNSDA-ZWKOTPCHSA-N 1 3 332.492 1.388 10 0 EDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638107818 451275122 /nfs/dbraw/zinc/27/51/22/451275122.db2.gz HVBPWNHXIMNSDA-ZWKOTPCHSA-N 1 3 332.492 1.388 10 0 EDAEHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000236612432 535204002 /nfs/dbraw/zinc/20/40/02/535204002.db2.gz GSCLOXBKZNFFAB-SFHVURJKSA-N 1 3 330.476 1.780 10 0 EDAEHO C[C@@H](CCNC(=O)NC[C@H](O)CN1CCCCC1)[NH+]1CCCCC1 ZINC000182657214 540133216 /nfs/dbraw/zinc/13/32/16/540133216.db2.gz JELIFJAXJUKQGL-IRXDYDNUSA-N 1 3 340.512 1.397 10 0 EDAEHO CN(C)[C@@H](CNc1nc(N)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072418013 203218858 /nfs/dbraw/zinc/21/88/58/203218858.db2.gz KXGWULQHKQMINQ-ZDUSSCGKSA-N 1 3 332.477 1.523 10 0 EDAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)CC(C)C ZINC000117029604 221024466 /nfs/dbraw/zinc/02/44/66/221024466.db2.gz GRCMAEHMDGFTCY-IAGOWNOFSA-N 1 3 342.528 1.715 10 0 EDAEHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)C12CCOCC2 ZINC000186269950 286284866 /nfs/dbraw/zinc/28/48/66/286284866.db2.gz BASMLFCAMGIVRE-GVDBMIGSSA-N 1 3 326.481 1.397 10 0 EDAEHO C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000121127766 287368089 /nfs/dbraw/zinc/36/80/89/287368089.db2.gz GRNVEFADGDIFLT-GJZGRUSLSA-N 1 3 328.501 1.109 10 0 EDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCN1CCOC ZINC000177529421 279325662 /nfs/dbraw/zinc/32/56/62/279325662.db2.gz LDWHOJNSFOZCTP-HOTGVXAUSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCN1CCOC ZINC000177529421 279325664 /nfs/dbraw/zinc/32/56/64/279325664.db2.gz LDWHOJNSFOZCTP-HOTGVXAUSA-N 1 3 326.485 1.223 10 0 EDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(=O)n3ccccc3n2)CC1 ZINC000105862364 441293700 /nfs/dbraw/zinc/29/37/00/441293700.db2.gz FAZJGZMKLYYYRC-OAHLLOKOSA-N 1 3 344.459 1.219 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(C(N)=O)cs2)CC1 ZINC000121149486 442183518 /nfs/dbraw/zinc/18/35/18/442183518.db2.gz URYNUGVUEFINPV-LBPRGKRZSA-N 1 3 325.478 1.372 10 0 EDAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643780290 452631642 /nfs/dbraw/zinc/63/16/42/452631642.db2.gz BTRVGPCOLDARKG-SJLPKXTDSA-N 1 3 331.460 1.345 10 0 EDAEHO COC[C@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000643781177 452632563 /nfs/dbraw/zinc/63/25/63/452632563.db2.gz LBWCYASDXKHHIO-WDYCEAGBSA-N 1 3 331.460 1.392 10 0 EDAEHO CCCNC(=O)[C@@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105861537 138302113 /nfs/dbraw/zinc/30/21/13/138302113.db2.gz GBWWHQXNLWIPAY-APWZRJJASA-N 1 3 347.503 1.936 10 0 EDAEHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCCNCC2)cc1 ZINC000333725882 141367012 /nfs/dbraw/zinc/36/70/12/141367012.db2.gz VKALXQUNAMPIGD-SJORKVTESA-N 1 3 332.448 1.146 10 0 EDAEHO CC[NH+]1CCN(CCCNC(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000106458073 276195162 /nfs/dbraw/zinc/19/51/62/276195162.db2.gz NEBMLWCNWXMLNZ-IBGZPJMESA-N 1 3 346.519 1.303 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000117033489 441862843 /nfs/dbraw/zinc/86/28/43/441862843.db2.gz GIBRLMCRRKHMPZ-KRWDZBQOSA-N 1 3 334.464 1.220 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000117033488 441863207 /nfs/dbraw/zinc/86/32/07/441863207.db2.gz GIBRLMCRRKHMPZ-QGZVFWFLSA-N 1 3 334.464 1.220 10 0 EDAEHO CCN1CCN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000173749073 441833964 /nfs/dbraw/zinc/83/39/64/441833964.db2.gz AEOGZMGYNDILIL-IBGZPJMESA-N 1 3 342.487 1.749 10 0 EDAEHO CCN1CCN(c2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000173749073 441833970 /nfs/dbraw/zinc/83/39/70/441833970.db2.gz AEOGZMGYNDILIL-IBGZPJMESA-N 1 3 342.487 1.749 10 0 EDAEHO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000163126729 442145589 /nfs/dbraw/zinc/14/55/89/442145589.db2.gz ZOHJHTJGQCQYSD-IBGZPJMESA-N 1 3 345.487 1.667 10 0 EDAEHO CN(C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171377493 442344436 /nfs/dbraw/zinc/34/44/36/442344436.db2.gz YMMGHNNRWIYXBI-OALUTQOASA-N 1 3 344.503 1.897 10 0 EDAEHO CN(C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000171377493 442344440 /nfs/dbraw/zinc/34/44/40/442344440.db2.gz YMMGHNNRWIYXBI-OALUTQOASA-N 1 3 344.503 1.897 10 0 EDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000182896875 442843694 /nfs/dbraw/zinc/84/36/94/442843694.db2.gz ZJGMHRCOOBORDE-MSOLQXFVSA-N 1 3 346.475 1.099 10 0 EDAEHO COCCN1CCC(NC(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000195143749 442989884 /nfs/dbraw/zinc/98/98/84/442989884.db2.gz UUUDGJIBQFVGEU-MRXNPFEDSA-N 1 3 328.501 1.373 10 0 EDAEHO CCN1CCN(CCCN2Cc3c(cccc3OC)[C@@H]2C[NH3+])CC1 ZINC000071683166 203103820 /nfs/dbraw/zinc/10/38/20/203103820.db2.gz BRFQEWLWOAFLNN-SFHVURJKSA-N 1 3 332.492 1.538 10 0 EDAEHO CCCN1CC2(C[C@@H]1C(=O)NCCc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072409769 203217803 /nfs/dbraw/zinc/21/78/03/203217803.db2.gz SMXOIDZIYMDNTD-OAHLLOKOSA-N 1 3 333.480 1.265 10 0 EDAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245830252 443251710 /nfs/dbraw/zinc/25/17/10/443251710.db2.gz BPVREKHPIZRMCG-WMZOPIPTSA-N 1 3 330.476 1.997 10 0 EDAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245830252 443251712 /nfs/dbraw/zinc/25/17/12/443251712.db2.gz BPVREKHPIZRMCG-WMZOPIPTSA-N 1 3 330.476 1.997 10 0 EDAEHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000191495501 443303128 /nfs/dbraw/zinc/30/31/28/443303128.db2.gz KAXFBUBHGLHDJX-SFHVURJKSA-N 1 3 334.512 1.406 10 0 EDAEHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000191495501 443303131 /nfs/dbraw/zinc/30/31/31/443303131.db2.gz KAXFBUBHGLHDJX-SFHVURJKSA-N 1 3 334.512 1.406 10 0 EDAEHO CCC[C@H](N)C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000262704316 535676746 /nfs/dbraw/zinc/67/67/46/535676746.db2.gz KYFHDEKDGJRDEI-INIZCTEOSA-N 1 3 340.512 1.201 10 0 EDAEHO COCCNCC(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000237138180 536893511 /nfs/dbraw/zinc/89/35/11/536893511.db2.gz UEHIKOGQIYBMMO-IRXDYDNUSA-N 1 3 347.503 1.837 10 0 EDAEHO CN(CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000054764255 441595591 /nfs/dbraw/zinc/59/55/91/441595591.db2.gz JPPRRTPCXAHRBR-SFHVURJKSA-N 1 3 348.491 1.264 10 0 EDAEHO CC(C)CCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247119511 442837203 /nfs/dbraw/zinc/83/72/03/442837203.db2.gz JMSZAMVGFGLMOU-JKSUJKDBSA-N 1 3 327.513 1.562 10 0 EDAEHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)C12CCOCC2 ZINC000248905248 442935989 /nfs/dbraw/zinc/93/59/89/442935989.db2.gz BASMLFCAMGIVRE-BRWVUGGUSA-N 1 3 326.481 1.397 10 0 EDAEHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000191495518 443303482 /nfs/dbraw/zinc/30/34/82/443303482.db2.gz KAXFBUBHGLHDJX-GOSISDBHSA-N 1 3 334.512 1.406 10 0 EDAEHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000191495518 443303485 /nfs/dbraw/zinc/30/34/85/443303485.db2.gz KAXFBUBHGLHDJX-GOSISDBHSA-N 1 3 334.512 1.406 10 0 EDAEHO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CNCCN2CC[NH3+])c1 ZINC000616635257 450456267 /nfs/dbraw/zinc/45/62/67/450456267.db2.gz BECBEVYGQUUREX-INIZCTEOSA-N 1 3 334.464 1.963 10 0 EDAEHO C[C@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000398948542 578318369 /nfs/dbraw/zinc/31/83/69/578318369.db2.gz CLFZMVBSHBUQQF-HKUYNNGSSA-N 1 3 331.504 1.943 10 0 EDAEHO CCC[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N(C)C ZINC000126577018 138338367 /nfs/dbraw/zinc/33/83/67/138338367.db2.gz FPSBKWBIPOSHQY-UJJTZGENSA-N 1 3 336.524 1.486 10 0 EDAEHO CCC[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N(C)C ZINC000126577018 138338368 /nfs/dbraw/zinc/33/83/68/138338368.db2.gz FPSBKWBIPOSHQY-UJJTZGENSA-N 1 3 336.524 1.486 10 0 EDAEHO C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCC[NH2+]C1 ZINC000496805903 299320139 /nfs/dbraw/zinc/32/01/39/299320139.db2.gz XNGYQGCBOQOEMO-KKUMJFAQSA-N 1 3 327.469 1.600 10 0 EDAEHO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCCNC1 ZINC000496805903 299320142 /nfs/dbraw/zinc/32/01/42/299320142.db2.gz XNGYQGCBOQOEMO-KKUMJFAQSA-N 1 3 327.469 1.600 10 0 EDAEHO CC1CC[NH+](CCCNC(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000117027478 201076205 /nfs/dbraw/zinc/07/62/05/201076205.db2.gz GCZGLYHSMKKMMK-MRXNPFEDSA-N 1 3 326.485 1.080 10 0 EDAEHO C[C@H](C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)C1C[NH2+]C1 ZINC000262022705 139244498 /nfs/dbraw/zinc/24/44/98/139244498.db2.gz APXPUSVEQDDWGP-ZFWWWQNUSA-N 1 3 344.459 1.178 10 0 EDAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CCOC)CC1 ZINC000246333342 287226705 /nfs/dbraw/zinc/22/67/05/287226705.db2.gz ONEAETRCTVIGDD-SJORKVTESA-N 1 3 338.496 1.365 10 0 EDAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CCOC)CC1 ZINC000246333342 287226708 /nfs/dbraw/zinc/22/67/08/287226708.db2.gz ONEAETRCTVIGDD-SJORKVTESA-N 1 3 338.496 1.365 10 0 EDAEHO CC[C@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)N(C)C ZINC000150989844 441987146 /nfs/dbraw/zinc/98/71/46/441987146.db2.gz FWSHFOFLBYDHQE-MRXNPFEDSA-N 1 3 333.480 1.132 10 0 EDAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000245432731 535589563 /nfs/dbraw/zinc/58/95/63/535589563.db2.gz OXOULEJRHMJLHO-IRXDYDNUSA-N 1 3 325.497 1.722 10 0 EDAEHO C[N@H+](CCCNC(=O)N1CCN2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171899156 529889805 /nfs/dbraw/zinc/88/98/05/529889805.db2.gz YPIAYCDXDMALIZ-GOSISDBHSA-N 1 3 330.476 1.998 10 0 EDAEHO C[N@@H+](CCCNC(=O)N1CCN2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171899156 529889806 /nfs/dbraw/zinc/88/98/06/529889806.db2.gz YPIAYCDXDMALIZ-GOSISDBHSA-N 1 3 330.476 1.998 10 0 EDAEHO C[C@@H]1CCC[C@@](CNC(=O)N2CCO[C@@H](CN(C)C)C2)([NH+](C)C)C1 ZINC000247063544 139133778 /nfs/dbraw/zinc/13/37/78/139133778.db2.gz KGKYDIXKEJSMSW-SOLBZPMBSA-N 1 3 340.512 1.469 10 0 EDAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171377488 227047737 /nfs/dbraw/zinc/04/77/37/227047737.db2.gz YMMGHNNRWIYXBI-RBUKOAKNSA-N 1 3 344.503 1.897 10 0 EDAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000171377488 227047741 /nfs/dbraw/zinc/04/77/41/227047741.db2.gz YMMGHNNRWIYXBI-RBUKOAKNSA-N 1 3 344.503 1.897 10 0 EDAEHO C[C@@H](C(=O)N(C)C)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247218632 278182971 /nfs/dbraw/zinc/18/29/71/278182971.db2.gz QJUDXYSRWUCNNU-QFBILLFUSA-N 1 3 347.503 1.841 10 0 EDAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCCN1CCOC ZINC000245418716 279298193 /nfs/dbraw/zinc/29/81/93/279298193.db2.gz LDWHOJNSFOZCTP-HZPDHXFCSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCCN1CCOC ZINC000245418716 279298195 /nfs/dbraw/zinc/29/81/95/279298195.db2.gz LDWHOJNSFOZCTP-HZPDHXFCSA-N 1 3 326.485 1.223 10 0 EDAEHO CC(C)S(=O)(=O)CCC[N@@H+](C)CC1CCN(C[C@@H](C)O)CC1 ZINC000120053618 442000720 /nfs/dbraw/zinc/00/07/20/442000720.db2.gz BRYFAYUARGNDRL-OAHLLOKOSA-N 1 3 334.526 1.224 10 0 EDAEHO CC(C)S(=O)(=O)CCC[N@H+](C)CC1CCN(C[C@@H](C)O)CC1 ZINC000120053618 442000725 /nfs/dbraw/zinc/00/07/25/442000725.db2.gz BRYFAYUARGNDRL-OAHLLOKOSA-N 1 3 334.526 1.224 10 0 EDAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)CCCOC ZINC000175737955 442114995 /nfs/dbraw/zinc/11/49/95/442114995.db2.gz AXPGASWNCVMJBD-JKSUJKDBSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)CCCOC ZINC000175737955 442114999 /nfs/dbraw/zinc/11/49/99/442114999.db2.gz AXPGASWNCVMJBD-JKSUJKDBSA-N 1 3 326.485 1.223 10 0 EDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000152383728 442206046 /nfs/dbraw/zinc/20/60/46/442206046.db2.gz VAQCUIPPZYJOJE-SJORKVTESA-N 1 3 340.512 1.253 10 0 EDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000152383728 442206049 /nfs/dbraw/zinc/20/60/49/442206049.db2.gz VAQCUIPPZYJOJE-SJORKVTESA-N 1 3 340.512 1.253 10 0 EDAEHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000246699769 442805517 /nfs/dbraw/zinc/80/55/17/442805517.db2.gz FVGPVHNXJJPNMZ-DLBZAZTESA-N 1 3 340.512 1.397 10 0 EDAEHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000246699769 442805520 /nfs/dbraw/zinc/80/55/20/442805520.db2.gz FVGPVHNXJJPNMZ-DLBZAZTESA-N 1 3 340.512 1.397 10 0 EDAEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000193720388 442773257 /nfs/dbraw/zinc/77/32/57/442773257.db2.gz QCJPDIIRBWOLKJ-ZACQAIPSSA-N 1 3 340.512 1.253 10 0 EDAEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000193720388 442773261 /nfs/dbraw/zinc/77/32/61/442773261.db2.gz QCJPDIIRBWOLKJ-ZACQAIPSSA-N 1 3 340.512 1.253 10 0 EDAEHO COC(=O)c1ccccc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179514848 534290337 /nfs/dbraw/zinc/29/03/37/534290337.db2.gz CABRXNIBPMAGIJ-HNNXBMFYSA-N 1 3 334.460 1.998 10 0 EDAEHO C[NH2+][C@@H](Cc1ccc(Br)cn1)C[C@@H]1CN(C)CCN1C ZINC000167996887 530042612 /nfs/dbraw/zinc/04/26/12/530042612.db2.gz QOZSMJNTFDOIFS-LSDHHAIUSA-N 1 3 341.297 1.611 10 0 EDAEHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000111808071 220194495 /nfs/dbraw/zinc/19/44/95/220194495.db2.gz OHYOBDSBWOEEOP-QZTJIDSGSA-N 1 3 348.491 1.699 10 0 EDAEHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000111808071 220194499 /nfs/dbraw/zinc/19/44/99/220194499.db2.gz OHYOBDSBWOEEOP-QZTJIDSGSA-N 1 3 348.491 1.699 10 0 EDAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000247473896 139149810 /nfs/dbraw/zinc/14/98/10/139149810.db2.gz VNGGDBRTTPVQHB-DLBZAZTESA-N 1 3 337.508 1.866 10 0 EDAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000247473896 139149811 /nfs/dbraw/zinc/14/98/11/139149811.db2.gz VNGGDBRTTPVQHB-DLBZAZTESA-N 1 3 337.508 1.866 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000179464673 277166016 /nfs/dbraw/zinc/16/60/16/277166016.db2.gz SZCCNSNGTFTEJW-SQNIBIBYSA-N 1 3 328.460 1.921 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000179464673 277166017 /nfs/dbraw/zinc/16/60/17/277166017.db2.gz SZCCNSNGTFTEJW-SQNIBIBYSA-N 1 3 328.460 1.921 10 0 EDAEHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151334946 442044759 /nfs/dbraw/zinc/04/47/59/442044759.db2.gz ZRAGVJNFGKJDSM-HOJAQTOUSA-N 1 3 346.519 1.728 10 0 EDAEHO CCN1CCC[C@@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000135630465 442620528 /nfs/dbraw/zinc/62/05/28/442620528.db2.gz DPNZJHJTCDKPAE-MRXNPFEDSA-N 1 3 349.479 1.306 10 0 EDAEHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](O)CN2CCCCC2)CC1 ZINC000194940733 442970233 /nfs/dbraw/zinc/97/02/33/442970233.db2.gz JSENSCIMUSNQJC-QGZVFWFLSA-N 1 3 340.512 1.254 10 0 EDAEHO CCOC(=O)C1CCC(O)(CN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000190907747 443207529 /nfs/dbraw/zinc/20/75/29/443207529.db2.gz JMTBBRDFJCIZRV-LRYGQEGESA-N 1 3 338.492 1.889 10 0 EDAEHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000190907747 443207532 /nfs/dbraw/zinc/20/75/32/443207532.db2.gz JMTBBRDFJCIZRV-LRYGQEGESA-N 1 3 338.492 1.889 10 0 EDAEHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000190907747 443207535 /nfs/dbraw/zinc/20/75/35/443207535.db2.gz JMTBBRDFJCIZRV-LRYGQEGESA-N 1 3 338.492 1.889 10 0 EDAEHO CCN1CCN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000173749057 491004463 /nfs/dbraw/zinc/00/44/63/491004463.db2.gz AEOGZMGYNDILIL-LJQANCHMSA-N 1 3 342.487 1.749 10 0 EDAEHO CCN1CCN(c2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000173749057 491004464 /nfs/dbraw/zinc/00/44/64/491004464.db2.gz AEOGZMGYNDILIL-LJQANCHMSA-N 1 3 342.487 1.749 10 0 EDAEHO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000170830998 282197057 /nfs/dbraw/zinc/19/70/57/282197057.db2.gz RQRGUHABMQPFSZ-QZTJIDSGSA-N 1 3 330.476 1.997 10 0 EDAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000186123668 285235244 /nfs/dbraw/zinc/23/52/44/285235244.db2.gz YAYUGKPFMHTKQW-DLBZAZTESA-N 1 3 339.528 1.138 10 0 EDAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000186123668 285235246 /nfs/dbraw/zinc/23/52/46/285235246.db2.gz YAYUGKPFMHTKQW-DLBZAZTESA-N 1 3 339.528 1.138 10 0 EDAEHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117038813 221027055 /nfs/dbraw/zinc/02/70/55/221027055.db2.gz RKUXHCZGHAOCIX-YYIAUSFCSA-N 1 3 340.512 1.325 10 0 EDAEHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117038813 221027057 /nfs/dbraw/zinc/02/70/57/221027057.db2.gz RKUXHCZGHAOCIX-YYIAUSFCSA-N 1 3 340.512 1.325 10 0 EDAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176437252 279263479 /nfs/dbraw/zinc/26/34/79/279263479.db2.gz LVCRMFFFJMDREU-NVXWUHKLSA-N 1 3 325.497 1.412 10 0 EDAEHO CC[N@@H+]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000174646443 441949258 /nfs/dbraw/zinc/94/92/58/441949258.db2.gz WZOJNQWOFZJMIF-GOSISDBHSA-N 1 3 344.503 1.799 10 0 EDAEHO CC[N@H+]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000174646443 441949261 /nfs/dbraw/zinc/94/92/61/441949261.db2.gz WZOJNQWOFZJMIF-GOSISDBHSA-N 1 3 344.503 1.799 10 0 EDAEHO COc1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1OCCN(C)C ZINC000178720065 442462446 /nfs/dbraw/zinc/46/24/46/442462446.db2.gz NGOHPHLPJHSWFL-GJZGRUSLSA-N 1 3 335.448 1.379 10 0 EDAEHO C[C@@H](NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568499304 321294241 /nfs/dbraw/zinc/29/42/41/321294241.db2.gz FYJBEFJFNRFGQC-QUCCMNQESA-N 1 3 330.520 1.782 10 0 EDAEHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccnn1CC1CC1)C2 ZINC000888097148 591028228 /nfs/dbraw/zinc/02/82/28/591028228.db2.gz CKDMXGDPBILQJD-AKHDSKFASA-N 1 3 332.492 1.862 10 0 EDAEHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccnn1CC1CC1)C2 ZINC000888097148 591028232 /nfs/dbraw/zinc/02/82/32/591028232.db2.gz CKDMXGDPBILQJD-AKHDSKFASA-N 1 3 332.492 1.862 10 0 EDAEHO Cc1ccc(NCCCNC(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)nc1 ZINC000072421651 216210379 /nfs/dbraw/zinc/21/03/79/216210379.db2.gz POHCWZXZSRHQSA-INIZCTEOSA-N 1 3 345.491 1.382 10 0 EDAEHO Cc1c(F)cccc1CN1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091635386 218036511 /nfs/dbraw/zinc/03/65/11/218036511.db2.gz SKDWNGUQYVTFJW-RTBURBONSA-N 1 3 349.494 1.812 10 0 EDAEHO Cc1c(F)cccc1CN1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091635386 218036515 /nfs/dbraw/zinc/03/65/15/218036515.db2.gz SKDWNGUQYVTFJW-RTBURBONSA-N 1 3 349.494 1.812 10 0 EDAEHO C[C@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)C1C[NH2+]C1 ZINC000262411437 139277154 /nfs/dbraw/zinc/27/71/54/139277154.db2.gz QPCDLMLMYDEBPN-AWEZNQCLSA-N 1 3 331.460 1.685 10 0 EDAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000177424281 285272595 /nfs/dbraw/zinc/27/25/95/285272595.db2.gz OXOULEJRHMJLHO-DLBZAZTESA-N 1 3 325.497 1.722 10 0 EDAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117031987 221025278 /nfs/dbraw/zinc/02/52/78/221025278.db2.gz FGQJHGSPKNPCDL-IXDOHACOSA-N 1 3 340.512 1.326 10 0 EDAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117031987 221025281 /nfs/dbraw/zinc/02/52/81/221025281.db2.gz FGQJHGSPKNPCDL-IXDOHACOSA-N 1 3 340.512 1.326 10 0 EDAEHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000117040876 221026367 /nfs/dbraw/zinc/02/63/67/221026367.db2.gz HBDCLJHHNZSOBC-GOSISDBHSA-N 1 3 348.491 1.610 10 0 EDAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000117040876 221026371 /nfs/dbraw/zinc/02/63/71/221026371.db2.gz HBDCLJHHNZSOBC-GOSISDBHSA-N 1 3 348.491 1.610 10 0 EDAEHO N[C@H](Cc1ccc(Br)cn1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000167904297 226201609 /nfs/dbraw/zinc/20/16/09/226201609.db2.gz JKJMXFWFCOPNNN-MGPQQGTHSA-N 1 3 326.238 1.577 10 0 EDAEHO N[C@H](Cc1ccc(Br)cn1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000167904297 226201615 /nfs/dbraw/zinc/20/16/15/226201615.db2.gz JKJMXFWFCOPNNN-MGPQQGTHSA-N 1 3 326.238 1.577 10 0 EDAEHO CCN1CCC[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000194142767 273000804 /nfs/dbraw/zinc/00/08/04/273000804.db2.gz WGQLMAFTGUVADG-KRWDZBQOSA-N 1 3 348.491 1.911 10 0 EDAEHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333664157 296993230 /nfs/dbraw/zinc/99/32/30/296993230.db2.gz MAFQJCBMIIBZEL-INMHGKMJSA-N 1 3 338.496 1.127 10 0 EDAEHO CN(C)CCNC(=O)C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000075829007 441556624 /nfs/dbraw/zinc/55/66/24/441556624.db2.gz KUVSBYPBFXHYKV-LJQANCHMSA-N 1 3 333.476 1.284 10 0 EDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000114834393 441688545 /nfs/dbraw/zinc/68/85/45/441688545.db2.gz XXQMNLCFNQSTCK-QZTJIDSGSA-N 1 3 330.476 1.997 10 0 EDAEHO CN(C)[C@@H](CNC(=O)CN1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249275455 139190233 /nfs/dbraw/zinc/19/02/33/139190233.db2.gz CVJSMLCYPJOSRA-ROUUACIJSA-N 1 3 330.476 1.186 10 0 EDAEHO CN(C)[C@@H](CNC(=O)CN1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249275455 139190234 /nfs/dbraw/zinc/19/02/34/139190234.db2.gz CVJSMLCYPJOSRA-ROUUACIJSA-N 1 3 330.476 1.186 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000181710506 442711943 /nfs/dbraw/zinc/71/19/43/442711943.db2.gz ZDPNYQBGBSZVRO-GJZGRUSLSA-N 1 3 340.512 1.203 10 0 EDAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246464053 442782677 /nfs/dbraw/zinc/78/26/77/442782677.db2.gz PLQJXQVZCPZXOT-SJORKVTESA-N 1 3 340.512 1.326 10 0 EDAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246464053 442782682 /nfs/dbraw/zinc/78/26/82/442782682.db2.gz PLQJXQVZCPZXOT-SJORKVTESA-N 1 3 340.512 1.326 10 0 EDAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390952353 447508381 /nfs/dbraw/zinc/50/83/81/447508381.db2.gz XYEAZHLERJQKCU-GBESFXJTSA-N 1 3 345.487 1.769 10 0 EDAEHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000051760449 214104152 /nfs/dbraw/zinc/10/41/52/214104152.db2.gz ZCIVTBAEMUSFCQ-RHSMWYFYSA-N 1 3 338.496 1.412 10 0 EDAEHO CC(C)Cn1cncc1CNC(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072479508 216258321 /nfs/dbraw/zinc/25/83/21/216258321.db2.gz VSHPTHXTHFVGIN-MRXNPFEDSA-N 1 3 333.480 1.229 10 0 EDAEHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262706566 139297732 /nfs/dbraw/zinc/29/77/32/139297732.db2.gz MNGVYBWAOONMIH-WBVHZDCISA-N 1 3 327.513 1.957 10 0 EDAEHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000262706566 139297733 /nfs/dbraw/zinc/29/77/33/139297733.db2.gz MNGVYBWAOONMIH-WBVHZDCISA-N 1 3 327.513 1.957 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000117025553 221024342 /nfs/dbraw/zinc/02/43/42/221024342.db2.gz SLIRTKSQFHKUJA-HNNXBMFYSA-N 1 3 326.485 1.223 10 0 EDAEHO CN(C)CCn1ncc(Br)c1C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000164427777 226072615 /nfs/dbraw/zinc/07/26/15/226072615.db2.gz SHPCVSLVDXADRF-VHSXEESVSA-N 1 3 327.226 1.293 10 0 EDAEHO C[NH+](C)C[C@@H]1CCCN1[C@@H](CN)c1cncc(Br)c1 ZINC000166133074 226148949 /nfs/dbraw/zinc/14/89/49/226148949.db2.gz HITJUWPVHKMCJJ-KBPBESRZSA-N 1 3 327.270 1.870 10 0 EDAEHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000333112012 276150171 /nfs/dbraw/zinc/15/01/71/276150171.db2.gz GQRPIENJZPSXDN-DLBZAZTESA-N 1 3 333.480 1.557 10 0 EDAEHO COCCC[NH+]1CCC(NC(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000171198146 442326172 /nfs/dbraw/zinc/32/61/72/442326172.db2.gz ZTOPGIYXTUMLAD-QGZVFWFLSA-N 1 3 342.528 1.763 10 0 EDAEHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246553826 442791929 /nfs/dbraw/zinc/79/19/29/442791929.db2.gz WFISJQDXWHEQOS-UAGQMJEPSA-N 1 3 325.497 1.625 10 0 EDAEHO C[C@H](CCNC(=O)N1CCO[C@@H](CN(C)C)C1)[NH+]1CCCCC1 ZINC000182675756 442804634 /nfs/dbraw/zinc/80/46/34/442804634.db2.gz FZMUCCJMCUTUEW-CVEARBPZSA-N 1 3 326.485 1.223 10 0 EDAEHO [NH3+]CCOCCOCCNC[C@@H](O)COc1cccc2ccccc21 ZINC000209504960 443050434 /nfs/dbraw/zinc/05/04/34/443050434.db2.gz MLPNFYFIANCKRA-QGZVFWFLSA-N 1 3 348.443 1.161 10 0 EDAEHO CN1CCNC[C@@H]1c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000263147942 535913543 /nfs/dbraw/zinc/91/35/43/535913543.db2.gz CVPGMGGPRUFSJW-CQSZACIVSA-N 1 3 331.420 1.253 10 0 EDAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114834392 282261401 /nfs/dbraw/zinc/26/14/01/282261401.db2.gz XXQMNLCFNQSTCK-ROUUACIJSA-N 1 3 330.476 1.997 10 0 EDAEHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000111883511 220216912 /nfs/dbraw/zinc/21/69/12/220216912.db2.gz UEQFXZBYEOUVGP-CVEARBPZSA-N 1 3 326.485 1.007 10 0 EDAEHO CC(C)N1CCC[C@@H](N(C)CC2CC[NH+](C[C@@H](C)O)CC2)C1=O ZINC000177710402 442373694 /nfs/dbraw/zinc/37/36/94/442373694.db2.gz GCDHZIODEQZHLL-NVXWUHKLSA-N 1 3 325.497 1.410 10 0 EDAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183230462 442907915 /nfs/dbraw/zinc/90/79/15/442907915.db2.gz ZPEPWBHMLPMYGV-ZBFHGGJFSA-N 1 3 334.464 1.481 10 0 EDAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183230462 442907920 /nfs/dbraw/zinc/90/79/20/442907920.db2.gz ZPEPWBHMLPMYGV-ZBFHGGJFSA-N 1 3 334.464 1.481 10 0 EDAEHO CN(C)[C@H](CNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000184581822 443043763 /nfs/dbraw/zinc/04/37/63/443043763.db2.gz CVJSMLCYPJOSRA-QZTJIDSGSA-N 1 3 330.476 1.186 10 0 EDAEHO CN(C)[C@H](CNC(=O)CN1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000184581822 443043766 /nfs/dbraw/zinc/04/37/66/443043766.db2.gz CVJSMLCYPJOSRA-QZTJIDSGSA-N 1 3 330.476 1.186 10 0 EDAEHO C[C@H](NC[C@@H]1CN(C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283541 453636172 /nfs/dbraw/zinc/63/61/72/453636172.db2.gz PMZOPSZLXWVEDV-DFQSSKMNSA-N 1 3 330.520 1.780 10 0 EDAEHO C[C@@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000398948544 578318376 /nfs/dbraw/zinc/31/83/76/578318376.db2.gz CLFZMVBSHBUQQF-MJGOQNOKSA-N 1 3 331.504 1.943 10 0 EDAEHO CCCNC(=O)[C@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105861539 138302070 /nfs/dbraw/zinc/30/20/70/138302070.db2.gz GBWWHQXNLWIPAY-LPHOPBHVSA-N 1 3 347.503 1.936 10 0 EDAEHO CC(C)CCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247119494 139136384 /nfs/dbraw/zinc/13/63/84/139136384.db2.gz JMSZAMVGFGLMOU-HOTGVXAUSA-N 1 3 327.513 1.562 10 0 EDAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000248411747 139162623 /nfs/dbraw/zinc/16/26/23/139162623.db2.gz ZPEPWBHMLPMYGV-GOEBONIOSA-N 1 3 334.464 1.481 10 0 EDAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000248411747 139162624 /nfs/dbraw/zinc/16/26/24/139162624.db2.gz ZPEPWBHMLPMYGV-GOEBONIOSA-N 1 3 334.464 1.481 10 0 EDAEHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)COCc1ccccc1 ZINC000119316743 221293498 /nfs/dbraw/zinc/29/34/98/221293498.db2.gz ACSKJLIZISZJIO-HXUWFJFHSA-N 1 3 349.519 1.522 10 0 EDAEHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)COCc1ccccc1 ZINC000119316743 221293502 /nfs/dbraw/zinc/29/35/02/221293502.db2.gz ACSKJLIZISZJIO-HXUWFJFHSA-N 1 3 349.519 1.522 10 0 EDAEHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCOCC2 ZINC000186236357 286277659 /nfs/dbraw/zinc/27/76/59/286277659.db2.gz KCMFZXDHQBBZSC-QZTJIDSGSA-N 1 3 339.524 1.576 10 0 EDAEHO CCNC(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915765 441316096 /nfs/dbraw/zinc/31/60/96/441316096.db2.gz ZNJSGQZYCRBQCR-SFHVURJKSA-N 1 3 333.476 1.500 10 0 EDAEHO CN1CC[C@@H]([NH2+]CC2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000116278145 441806878 /nfs/dbraw/zinc/80/68/78/441806878.db2.gz DGYGHRULHCGOGV-MSOLQXFVSA-N 1 3 331.460 1.252 10 0 EDAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000248718984 442921040 /nfs/dbraw/zinc/92/10/40/442921040.db2.gz OEFKQGUYPPKSIQ-ZACQAIPSSA-N 1 3 339.528 1.040 10 0 EDAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000248718984 442921042 /nfs/dbraw/zinc/92/10/42/442921042.db2.gz OEFKQGUYPPKSIQ-ZACQAIPSSA-N 1 3 339.528 1.040 10 0 EDAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CCOCC1 ZINC000398116506 447556770 /nfs/dbraw/zinc/55/67/70/447556770.db2.gz FXUGHDMFAXAEQU-NVXWUHKLSA-N 1 3 331.460 1.521 10 0 EDAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CCOCC1 ZINC000398116506 447556775 /nfs/dbraw/zinc/55/67/75/447556775.db2.gz FXUGHDMFAXAEQU-NVXWUHKLSA-N 1 3 331.460 1.521 10 0 EDAEHO CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N(C)C ZINC000180874909 528845306 /nfs/dbraw/zinc/84/53/06/528845306.db2.gz KGHWHCGJOUQKAO-MOPGFXCFSA-N 1 3 347.503 1.990 10 0 EDAEHO CCC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N(C)C ZINC000180874909 528845313 /nfs/dbraw/zinc/84/53/13/528845313.db2.gz KGHWHCGJOUQKAO-MOPGFXCFSA-N 1 3 347.503 1.990 10 0 EDAEHO COCCn1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097462 591028261 /nfs/dbraw/zinc/02/82/61/591028261.db2.gz JFNQPYNKHKWNEE-ZJPYXAASSA-N 1 3 336.480 1.099 10 0 EDAEHO COCCn1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097462 591028265 /nfs/dbraw/zinc/02/82/65/591028265.db2.gz JFNQPYNKHKWNEE-ZJPYXAASSA-N 1 3 336.480 1.099 10 0 EDAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903626 227353137 /nfs/dbraw/zinc/35/31/37/227353137.db2.gz AQWFSTSKBTWZFI-QZTJIDSGSA-N 1 3 330.476 1.649 10 0 EDAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171903626 227353141 /nfs/dbraw/zinc/35/31/41/227353141.db2.gz AQWFSTSKBTWZFI-QZTJIDSGSA-N 1 3 330.476 1.649 10 0 EDAEHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000170855033 277612570 /nfs/dbraw/zinc/61/25/70/277612570.db2.gz KZLBZGJLXYZTGB-IBGZPJMESA-N 1 3 344.503 1.993 10 0 EDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248791582 279326309 /nfs/dbraw/zinc/32/63/09/279326309.db2.gz YAYUGKPFMHTKQW-SJORKVTESA-N 1 3 339.528 1.138 10 0 EDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248791582 279326311 /nfs/dbraw/zinc/32/63/11/279326311.db2.gz YAYUGKPFMHTKQW-SJORKVTESA-N 1 3 339.528 1.138 10 0 EDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000176879845 442266599 /nfs/dbraw/zinc/26/65/99/442266599.db2.gz RIYDEGWZSNPOHF-IAGOWNOFSA-N 1 3 339.524 1.802 10 0 EDAEHO CCN1CCC[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000195191705 442995286 /nfs/dbraw/zinc/99/52/86/442995286.db2.gz HZDZBWXUBHUGOW-KRWDZBQOSA-N 1 3 348.491 1.911 10 0 EDAEHO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391027577 447509611 /nfs/dbraw/zinc/50/96/11/447509611.db2.gz UCRHCLOWYKOONJ-MOPGFXCFSA-N 1 3 345.487 1.783 10 0 EDAEHO CC(C)[NH+](CCCNC(=O)N1CCO[C@@H](CN(C)C)C1)C(C)C ZINC000174354672 528882098 /nfs/dbraw/zinc/88/20/98/528882098.db2.gz IKGKXRCAGMZXKN-INIZCTEOSA-N 1 3 328.501 1.467 10 0 EDAEHO CCCCCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588744 442360144 /nfs/dbraw/zinc/36/01/44/442360144.db2.gz DCDKXERBBODUGB-HZPDHXFCSA-N 1 3 327.513 1.706 10 0 EDAEHO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CNCCN1CC[NH3+] ZINC000616636087 450456943 /nfs/dbraw/zinc/45/69/43/450456943.db2.gz KAPZTGVTEWKCLX-MRXNPFEDSA-N 1 3 334.464 1.963 10 0 EDAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000248726558 139173302 /nfs/dbraw/zinc/17/33/02/139173302.db2.gz CUTUWSAOAZQJJZ-BHIYHBOVSA-N 1 3 342.487 1.997 10 0 EDAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000248726558 139173303 /nfs/dbraw/zinc/17/33/03/139173303.db2.gz CUTUWSAOAZQJJZ-BHIYHBOVSA-N 1 3 342.487 1.997 10 0 EDAEHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000261701754 139218876 /nfs/dbraw/zinc/21/88/76/139218876.db2.gz OSPNLLILVAYOLZ-MDZRGWNJSA-N 1 3 335.492 1.606 10 0 EDAEHO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000194139636 273000526 /nfs/dbraw/zinc/00/05/26/273000526.db2.gz UNZAXCTUPLKLBY-SJORKVTESA-N 1 3 339.528 1.042 10 0 EDAEHO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000194139636 273000527 /nfs/dbraw/zinc/00/05/27/273000527.db2.gz UNZAXCTUPLKLBY-SJORKVTESA-N 1 3 339.528 1.042 10 0 EDAEHO C[C@@H](CCNC(=O)N1CCO[C@@H](CN(C)C)C1)[NH+]1CCCCC1 ZINC000182675736 442804795 /nfs/dbraw/zinc/80/47/95/442804795.db2.gz FZMUCCJMCUTUEW-HOTGVXAUSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[C@@H](C(N)=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247037413 442830793 /nfs/dbraw/zinc/83/07/93/442830793.db2.gz DMQKDWDWGVKUCU-ZWKOTPCHSA-N 1 3 333.476 1.628 10 0 EDAEHO CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N(C)C ZINC000248385864 442888602 /nfs/dbraw/zinc/88/86/02/442888602.db2.gz KGHWHCGJOUQKAO-OALUTQOASA-N 1 3 347.503 1.990 10 0 EDAEHO CCC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N(C)C ZINC000248385864 442888605 /nfs/dbraw/zinc/88/86/05/442888605.db2.gz KGHWHCGJOUQKAO-OALUTQOASA-N 1 3 347.503 1.990 10 0 EDAEHO COCCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000386286665 447470071 /nfs/dbraw/zinc/47/00/71/447470071.db2.gz GEOLNANDJTYFPQ-YSTOQKLRSA-N 1 3 348.487 1.511 10 0 EDAEHO COCCOC[C@H](O)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000386286665 447470076 /nfs/dbraw/zinc/47/00/76/447470076.db2.gz GEOLNANDJTYFPQ-YSTOQKLRSA-N 1 3 348.487 1.511 10 0 EDAEHO COCCOC[C@H](O)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000386286665 447470083 /nfs/dbraw/zinc/47/00/83/447470083.db2.gz GEOLNANDJTYFPQ-YSTOQKLRSA-N 1 3 348.487 1.511 10 0 EDAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000173997514 528500024 /nfs/dbraw/zinc/50/00/24/528500024.db2.gz HVTYFGNUNMAESM-DLBZAZTESA-N 1 3 341.544 1.145 10 0 EDAEHO CC(C)[NH+](CCCNC(=O)NC[C@H](O)CN1CCCCC1)C(C)C ZINC000174352168 528883265 /nfs/dbraw/zinc/88/32/65/528883265.db2.gz HERXGRIZXGQCTQ-KRWDZBQOSA-N 1 3 342.528 1.641 10 0 EDAEHO CC(C)[NH+](CCNC(=O)NC[C@@H](O)CN1CCCCC1)C(C)C ZINC000049172483 287217855 /nfs/dbraw/zinc/21/78/55/287217855.db2.gz VDORSCKIWAAOBI-MRXNPFEDSA-N 1 3 328.501 1.251 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000116792652 441847599 /nfs/dbraw/zinc/84/75/99/441847599.db2.gz PTCKYWYZEHDFFE-RBUKOAKNSA-N 1 3 345.487 1.688 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000116792652 441847604 /nfs/dbraw/zinc/84/76/04/441847604.db2.gz PTCKYWYZEHDFFE-RBUKOAKNSA-N 1 3 345.487 1.688 10 0 EDAEHO CCOC(=O)c1ccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000121150118 442183403 /nfs/dbraw/zinc/18/34/03/442183403.db2.gz AIPJGASRRRHIJT-CQSZACIVSA-N 1 3 338.448 1.981 10 0 EDAEHO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OCCN(C)C)cc1 ZINC000180592519 442629934 /nfs/dbraw/zinc/62/99/34/442629934.db2.gz LONWSQNARAKQRA-GOEBONIOSA-N 1 3 329.448 1.884 10 0 EDAEHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000194457385 442899468 /nfs/dbraw/zinc/89/94/68/442899468.db2.gz ZSENREKVWRFWEZ-RBUKOAKNSA-N 1 3 342.487 1.998 10 0 EDAEHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000194457385 442899470 /nfs/dbraw/zinc/89/94/70/442899470.db2.gz ZSENREKVWRFWEZ-RBUKOAKNSA-N 1 3 342.487 1.998 10 0 EDAEHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000397983677 447554332 /nfs/dbraw/zinc/55/43/32/447554332.db2.gz NNZQDJUONYHRAL-SJLPKXTDSA-N 1 3 344.503 1.449 10 0 EDAEHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105711 453288448 /nfs/dbraw/zinc/28/84/48/453288448.db2.gz HBFFOFAZSMJNJL-RRFJBIMHSA-N 1 3 341.377 1.775 10 0 EDAEHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000176584647 442237302 /nfs/dbraw/zinc/23/73/02/442237302.db2.gz SCIBBCFMIHBYSY-OAGGEKHMSA-N 1 3 326.485 1.005 10 0 EDAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246976595 139129308 /nfs/dbraw/zinc/12/93/08/139129308.db2.gz FGQJHGSPKNPCDL-BBWFWOEESA-N 1 3 340.512 1.326 10 0 EDAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246976595 139129309 /nfs/dbraw/zinc/12/93/09/139129309.db2.gz FGQJHGSPKNPCDL-BBWFWOEESA-N 1 3 340.512 1.326 10 0 EDAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247260987 139142852 /nfs/dbraw/zinc/14/28/52/139142852.db2.gz YMNVJNDLIFFFJC-PMPSAXMXSA-N 1 3 326.485 1.079 10 0 EDAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247260987 139142853 /nfs/dbraw/zinc/14/28/53/139142853.db2.gz YMNVJNDLIFFFJC-PMPSAXMXSA-N 1 3 326.485 1.079 10 0 EDAEHO CN1CCNC[C@@H]1c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000263219346 139329111 /nfs/dbraw/zinc/32/91/11/139329111.db2.gz LNHWXYFEFKPMSC-MRXNPFEDSA-N 1 3 327.432 1.909 10 0 EDAEHO [NH3+]Cc1cc(Br)cnc1N1CCN(CC2CC2)CC1 ZINC000051398235 132181411 /nfs/dbraw/zinc/18/14/11/132181411.db2.gz OFNONCNYIMUJOS-UHFFFAOYSA-N 1 3 325.254 1.835 10 0 EDAEHO Cc1cc(NC(=O)[C@@H]2C[C@H](O)CN2)ccc1OCC[NH+]1CCCC1 ZINC000169092523 226231962 /nfs/dbraw/zinc/23/19/62/226231962.db2.gz JVLTVTPEPGMDBV-HOTGVXAUSA-N 1 3 333.432 1.131 10 0 EDAEHO CCNC(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915770 441315801 /nfs/dbraw/zinc/31/58/01/441315801.db2.gz ZNJSGQZYCRBQCR-GOSISDBHSA-N 1 3 333.476 1.500 10 0 EDAEHO C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000117039939 441863092 /nfs/dbraw/zinc/86/30/92/441863092.db2.gz GABNUEPGBHRLDJ-CVEARBPZSA-N 1 3 326.485 1.079 10 0 EDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000176879878 442266567 /nfs/dbraw/zinc/26/65/67/442266567.db2.gz RIYDEGWZSNPOHF-SJORKVTESA-N 1 3 339.524 1.802 10 0 EDAEHO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000170831000 442270989 /nfs/dbraw/zinc/27/09/89/442270989.db2.gz RQRGUHABMQPFSZ-MSOLQXFVSA-N 1 3 330.476 1.997 10 0 EDAEHO COCCNCC(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000262655247 443206498 /nfs/dbraw/zinc/20/64/98/443206498.db2.gz UEHIKOGQIYBMMO-YRWFTTLQSA-N 1 3 347.503 1.837 10 0 EDAEHO COCCNCC(=O)N(C)[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000262655247 443206501 /nfs/dbraw/zinc/20/65/01/443206501.db2.gz UEHIKOGQIYBMMO-YRWFTTLQSA-N 1 3 347.503 1.837 10 0 EDAEHO C[C@H](NC[C@H]1CN(C)CCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000665283542 453635661 /nfs/dbraw/zinc/63/56/61/453635661.db2.gz PMZOPSZLXWVEDV-IHPCNDPISA-N 1 3 330.520 1.780 10 0 EDAEHO CCC[C@@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)N(C)C ZINC000131606468 528844850 /nfs/dbraw/zinc/84/48/50/528844850.db2.gz RXBKBLYWBJQHBD-KRWDZBQOSA-N 1 3 348.491 1.325 10 0 EDAEHO COc1ccc([C@H](C[NH3+])N(C)CCN(C)C)cc1Br ZINC000104198111 219360141 /nfs/dbraw/zinc/36/01/41/219360141.db2.gz XQZKZLHLJDHMEL-ZDUSSCGKSA-N 1 3 330.270 1.951 10 0 EDAEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246445420 139108913 /nfs/dbraw/zinc/10/89/13/139108913.db2.gz ODFCRJWTKPASSV-DLBZAZTESA-N 1 3 340.512 1.253 10 0 EDAEHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246445420 139108914 /nfs/dbraw/zinc/10/89/14/139108914.db2.gz ODFCRJWTKPASSV-DLBZAZTESA-N 1 3 340.512 1.253 10 0 EDAEHO CCC[NH+]1CCC(CNC(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000117041836 221027042 /nfs/dbraw/zinc/02/70/42/221027042.db2.gz CQIACOMXFCJKHE-MRXNPFEDSA-N 1 3 326.485 1.080 10 0 EDAEHO CCC[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000188157929 276020575 /nfs/dbraw/zinc/02/05/75/276020575.db2.gz PMYKYQJKZRSSRM-ICSRJNTNSA-N 1 3 347.503 1.812 10 0 EDAEHO CCC[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000188157929 276020576 /nfs/dbraw/zinc/02/05/76/276020576.db2.gz PMYKYQJKZRSSRM-ICSRJNTNSA-N 1 3 347.503 1.812 10 0 EDAEHO CCC[C@H](C)NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862489 441294365 /nfs/dbraw/zinc/29/43/65/441294365.db2.gz QAODQWTVGRLMQB-ARFHVFGLSA-N 1 3 327.513 1.704 10 0 EDAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000137105018 441747453 /nfs/dbraw/zinc/74/74/53/441747453.db2.gz CLPGKEKTZHRBPY-SJORKVTESA-N 1 3 327.513 1.872 10 0 EDAEHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000170855037 442275527 /nfs/dbraw/zinc/27/55/27/442275527.db2.gz KZLBZGJLXYZTGB-LJQANCHMSA-N 1 3 344.503 1.993 10 0 EDAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000157286208 442567652 /nfs/dbraw/zinc/56/76/52/442567652.db2.gz JGLWGHMAVZXZBB-DLBZAZTESA-N 1 3 340.512 1.517 10 0 EDAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000157286208 442567655 /nfs/dbraw/zinc/56/76/55/442567655.db2.gz JGLWGHMAVZXZBB-DLBZAZTESA-N 1 3 340.512 1.517 10 0 EDAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000389993657 447489855 /nfs/dbraw/zinc/48/98/55/447489855.db2.gz PNKUCVVWQFVOPF-FUHWJXTLSA-N 1 3 344.503 1.307 10 0 EDAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CCOCC1 ZINC000398116503 447555575 /nfs/dbraw/zinc/55/55/75/447555575.db2.gz FXUGHDMFAXAEQU-DOTOQJQBSA-N 1 3 331.460 1.521 10 0 EDAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CCOCC1 ZINC000398116503 447555584 /nfs/dbraw/zinc/55/55/84/447555584.db2.gz FXUGHDMFAXAEQU-DOTOQJQBSA-N 1 3 331.460 1.521 10 0 EDAEHO O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000638852219 451711020 /nfs/dbraw/zinc/71/10/20/451711020.db2.gz VWGKZQWJGIFFIR-MOPGFXCFSA-N 1 3 345.487 1.783 10 0 EDAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638070778 452378899 /nfs/dbraw/zinc/37/88/99/452378899.db2.gz ADBWTBFQHWAMGA-MSOLQXFVSA-N 1 3 334.508 1.538 10 0 EDAEHO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000171909163 533927646 /nfs/dbraw/zinc/92/76/46/533927646.db2.gz QLNZXIGRXGRDDY-FUHWJXTLSA-N 1 3 330.476 1.997 10 0 EDAEHO C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000171909163 533927657 /nfs/dbraw/zinc/92/76/57/533927657.db2.gz QLNZXIGRXGRDDY-FUHWJXTLSA-N 1 3 330.476 1.997 10 0 EDAEHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000246671995 139117220 /nfs/dbraw/zinc/11/72/20/139117220.db2.gz UEQFXZBYEOUVGP-HZPDHXFCSA-N 1 3 326.485 1.007 10 0 EDAEHO C[NH2+][C@H](Cc1ccc(Br)cn1)C[C@H]1CN(C)CCN1C ZINC000167997199 533011601 /nfs/dbraw/zinc/01/16/01/533011601.db2.gz QOZSMJNTFDOIFS-CABCVRRESA-N 1 3 341.297 1.611 10 0 EDAEHO CCO[C@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCOCC2 ZINC000186236341 286537578 /nfs/dbraw/zinc/53/75/78/286537578.db2.gz KCMFZXDHQBBZSC-ROUUACIJSA-N 1 3 339.524 1.576 10 0 EDAEHO C[C@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262089215 279686101 /nfs/dbraw/zinc/68/61/01/279686101.db2.gz CWRDISSVZKGYBL-DIECFANBSA-N 1 3 333.480 1.102 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000156026443 290083399 /nfs/dbraw/zinc/08/33/99/290083399.db2.gz GZBDPEIVAWHIQR-INIZCTEOSA-N 1 3 325.497 1.270 10 0 EDAEHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCOCC2 ZINC000186236376 442493328 /nfs/dbraw/zinc/49/33/28/442493328.db2.gz KCMFZXDHQBBZSC-MSOLQXFVSA-N 1 3 339.524 1.576 10 0 EDAEHO CCC[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+](C)C ZINC000136036782 442647654 /nfs/dbraw/zinc/64/76/54/442647654.db2.gz BPCAKDNQRVHGIT-IBGZPJMESA-N 1 3 346.519 1.781 10 0 EDAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000389993655 447490162 /nfs/dbraw/zinc/49/01/62/447490162.db2.gz PNKUCVVWQFVOPF-AEFFLSMTSA-N 1 3 344.503 1.307 10 0 EDAEHO [NH3+]C1CCC(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000391025050 447510358 /nfs/dbraw/zinc/51/03/58/447510358.db2.gz RNFBBWFFJPJDHF-CTWPCTMYSA-N 1 3 345.487 1.911 10 0 EDAEHO CC(C)(CNC(=O)NC[C@H](O)CN1CCCCC1)[NH+]1CCCCC1 ZINC000192797832 272986495 /nfs/dbraw/zinc/98/64/95/272986495.db2.gz GCCRYVMNGWSAFM-INIZCTEOSA-N 1 3 340.512 1.397 10 0 EDAEHO CCN1CCC[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000135630406 442620031 /nfs/dbraw/zinc/62/00/31/442620031.db2.gz DPNZJHJTCDKPAE-INIZCTEOSA-N 1 3 349.479 1.306 10 0 EDAEHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391027582 447509542 /nfs/dbraw/zinc/50/95/42/447509542.db2.gz UCRHCLOWYKOONJ-OALUTQOASA-N 1 3 345.487 1.783 10 0 EDAEHO CN(C)Cc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262416093 536048855 /nfs/dbraw/zinc/04/88/55/536048855.db2.gz ZRPZBAFJENABPG-MSOLQXFVSA-N 1 3 341.459 1.101 10 0 EDAEHO C[NH+](C)[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000170831057 282261656 /nfs/dbraw/zinc/26/16/56/282261656.db2.gz ZSJIRZMSLVWTGX-HNNXBMFYSA-N 1 3 340.537 1.694 10 0 EDAEHO COc1cc2c(c(OC)c1OC)CN(C1CCN(C)CC1)[C@@H]2C[NH3+] ZINC000071684679 215795773 /nfs/dbraw/zinc/79/57/73/215795773.db2.gz FFYODMBLSJFPAD-OAHLLOKOSA-N 1 3 335.448 1.622 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000117052412 221028551 /nfs/dbraw/zinc/02/85/51/221028551.db2.gz FALKFAAXTQCXEK-GJZGRUSLSA-N 1 3 328.501 1.325 10 0 EDAEHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000173977709 441873765 /nfs/dbraw/zinc/87/37/65/441873765.db2.gz ZJPWFMSQWUEVDC-GOSISDBHSA-N 1 3 330.476 1.605 10 0 EDAEHO Cc1nccn1C[C@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000178287966 442421787 /nfs/dbraw/zinc/42/17/87/442421787.db2.gz WNCAQDUSOSFDFO-GOSISDBHSA-N 1 3 347.507 1.645 10 0 EDAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000246699777 442805548 /nfs/dbraw/zinc/80/55/48/442805548.db2.gz FVGPVHNXJJPNMZ-IAGOWNOFSA-N 1 3 340.512 1.397 10 0 EDAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000246699777 442805552 /nfs/dbraw/zinc/80/55/52/442805552.db2.gz FVGPVHNXJJPNMZ-IAGOWNOFSA-N 1 3 340.512 1.397 10 0 EDAEHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000397983671 447553927 /nfs/dbraw/zinc/55/39/27/447553927.db2.gz NNZQDJUONYHRAL-AEFFLSMTSA-N 1 3 344.503 1.449 10 0 EDAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCOCC1 ZINC000638834325 451705803 /nfs/dbraw/zinc/70/58/03/451705803.db2.gz FHRBNVAPJOAKOG-NVXWUHKLSA-N 1 3 331.460 1.379 10 0 EDAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCOCC1 ZINC000638834325 451705804 /nfs/dbraw/zinc/70/58/04/451705804.db2.gz FHRBNVAPJOAKOG-NVXWUHKLSA-N 1 3 331.460 1.379 10 0 EDAEHO [NH3+]C[C@@H](c1cncc(Br)c1)N1CCN(CC2CC2)CC1 ZINC000166113879 534680480 /nfs/dbraw/zinc/68/04/80/534680480.db2.gz WNUDABPWWQRLCU-HNNXBMFYSA-N 1 3 339.281 1.872 10 0 EDAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CN)c1cncc(Br)c1 ZINC000166140429 529954528 /nfs/dbraw/zinc/95/45/28/529954528.db2.gz REMNPROKANRZAL-RISCZKNCSA-N 1 3 327.270 1.727 10 0 EDAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CN)c1cncc(Br)c1 ZINC000166140429 529954530 /nfs/dbraw/zinc/95/45/30/529954530.db2.gz REMNPROKANRZAL-RISCZKNCSA-N 1 3 327.270 1.727 10 0 EDAEHO CCNC(=O)CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862914 441293720 /nfs/dbraw/zinc/29/37/20/441293720.db2.gz QVBZLOCOLKKYNJ-IBGZPJMESA-N 1 3 347.503 1.890 10 0 EDAEHO CCNC(=O)CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862914 441293724 /nfs/dbraw/zinc/29/37/24/441293724.db2.gz QVBZLOCOLKKYNJ-IBGZPJMESA-N 1 3 347.503 1.890 10 0 EDAEHO Cc1nc(C(=O)NCCC[NH+]2CCCC2)c(C)n1C1CCN(C)CC1 ZINC000065257289 441411572 /nfs/dbraw/zinc/41/15/72/441411572.db2.gz NJIUOFXTPKXTNE-UHFFFAOYSA-N 1 3 347.507 1.982 10 0 EDAEHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111684393 441539683 /nfs/dbraw/zinc/53/96/83/441539683.db2.gz UQUNFKSAUSWHRX-QGZVFWFLSA-N 1 3 325.497 1.414 10 0 EDAEHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111684393 441539686 /nfs/dbraw/zinc/53/96/86/441539686.db2.gz UQUNFKSAUSWHRX-QGZVFWFLSA-N 1 3 325.497 1.414 10 0 EDAEHO C[C@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC[NH2+]1 ZINC000390862166 447504877 /nfs/dbraw/zinc/50/48/77/447504877.db2.gz IFHPVLWADMCTOH-IEBWSBKVSA-N 1 3 331.460 1.536 10 0 EDAEHO C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000496805904 447926968 /nfs/dbraw/zinc/92/69/68/447926968.db2.gz XNGYQGCBOQOEMO-RRFJBIMHSA-N 1 3 327.469 1.600 10 0 EDAEHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCCNC1 ZINC000496805904 447926972 /nfs/dbraw/zinc/92/69/72/447926972.db2.gz XNGYQGCBOQOEMO-RRFJBIMHSA-N 1 3 327.469 1.600 10 0 EDAEHO CN(C)CCN(Cc1ccco1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262851908 535868524 /nfs/dbraw/zinc/86/85/24/535868524.db2.gz VJHFYHMFENEFSD-OAHLLOKOSA-N 1 3 345.447 1.605 10 0 EDAEHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117032718 221025491 /nfs/dbraw/zinc/02/54/91/221025491.db2.gz JPPVLUZHOMUCGJ-IAGOWNOFSA-N 1 3 340.512 1.471 10 0 EDAEHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117032718 221025493 /nfs/dbraw/zinc/02/54/93/221025493.db2.gz JPPVLUZHOMUCGJ-IAGOWNOFSA-N 1 3 340.512 1.471 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000117036525 289215418 /nfs/dbraw/zinc/21/54/18/289215418.db2.gz BATILOQEKFBVDN-HNNXBMFYSA-N 1 3 326.485 1.221 10 0 EDAEHO CCN1CCC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000175669145 442102424 /nfs/dbraw/zinc/10/24/24/442102424.db2.gz HRANLXPPVRHWML-INIZCTEOSA-N 1 3 340.512 1.613 10 0 EDAEHO COc1cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1OCCN(C)C ZINC000178720076 442462230 /nfs/dbraw/zinc/46/22/30/442462230.db2.gz NGOHPHLPJHSWFL-HUUCEWRRSA-N 1 3 335.448 1.379 10 0 EDAEHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)c2)CC1 ZINC000184892116 443093656 /nfs/dbraw/zinc/09/36/56/443093656.db2.gz ABDYZAZOJUQDQZ-GOSISDBHSA-N 1 3 345.491 1.996 10 0 EDAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638070779 452376483 /nfs/dbraw/zinc/37/64/83/452376483.db2.gz ADBWTBFQHWAMGA-QZTJIDSGSA-N 1 3 334.508 1.538 10 0 EDAEHO C[C@@H]([NH2+]C1CCN(CCO)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000398948543 578318355 /nfs/dbraw/zinc/31/83/55/578318355.db2.gz CLFZMVBSHBUQQF-IEBWSBKVSA-N 1 3 331.504 1.943 10 0 EDAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246976618 139129364 /nfs/dbraw/zinc/12/93/64/139129364.db2.gz FGQJHGSPKNPCDL-ZACQAIPSSA-N 1 3 340.512 1.326 10 0 EDAEHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000247250701 139142357 /nfs/dbraw/zinc/14/23/57/139142357.db2.gz ZRAGVJNFGKJDSM-RLLQIKCJSA-N 1 3 346.519 1.728 10 0 EDAEHO CN(C)CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905372 227354115 /nfs/dbraw/zinc/35/41/15/227354115.db2.gz GURYCJDRFABLKI-QGZVFWFLSA-N 1 3 346.475 1.617 10 0 EDAEHO CN(C)CCOc1ccccc1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171905372 227354120 /nfs/dbraw/zinc/35/41/20/227354120.db2.gz GURYCJDRFABLKI-QGZVFWFLSA-N 1 3 346.475 1.617 10 0 EDAEHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192801875 272986726 /nfs/dbraw/zinc/98/67/26/272986726.db2.gz GQIIYGVCQWPTJF-HOTGVXAUSA-N 1 3 326.485 1.007 10 0 EDAEHO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000194139612 273000608 /nfs/dbraw/zinc/00/06/08/273000608.db2.gz UNZAXCTUPLKLBY-IRXDYDNUSA-N 1 3 339.528 1.042 10 0 EDAEHO CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000194139612 273000609 /nfs/dbraw/zinc/00/06/09/273000609.db2.gz UNZAXCTUPLKLBY-IRXDYDNUSA-N 1 3 339.528 1.042 10 0 EDAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)CCCOC ZINC000175737940 442114898 /nfs/dbraw/zinc/11/48/98/442114898.db2.gz AXPGASWNCVMJBD-HZPDHXFCSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)CCCOC ZINC000175737940 442114901 /nfs/dbraw/zinc/11/49/01/442114901.db2.gz AXPGASWNCVMJBD-HZPDHXFCSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[NH+]1CCC(CCNC(=O)NC[C@H](O)CN2CCCCC2)CC1 ZINC000175953229 442152417 /nfs/dbraw/zinc/15/24/17/442152417.db2.gz CPEDQVCFYKLBGK-KRWDZBQOSA-N 1 3 340.512 1.254 10 0 EDAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194421601 442893793 /nfs/dbraw/zinc/89/37/93/442893793.db2.gz ICNBRSNYWAIKAO-QZTJIDSGSA-N 1 3 330.476 1.854 10 0 EDAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000194421601 442893795 /nfs/dbraw/zinc/89/37/95/442893795.db2.gz ICNBRSNYWAIKAO-QZTJIDSGSA-N 1 3 330.476 1.854 10 0 EDAEHO COC[C@]1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000643781174 452633782 /nfs/dbraw/zinc/63/37/82/452633782.db2.gz LBWCYASDXKHHIO-AYBZRNKSSA-N 1 3 331.460 1.392 10 0 EDAEHO CCC(CC)NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247384735 282209154 /nfs/dbraw/zinc/20/91/54/282209154.db2.gz WHDNYJDUYNSDAD-GJZGRUSLSA-N 1 3 327.513 1.704 10 0 EDAEHO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c(CN(C)C)c1 ZINC000262202660 139259519 /nfs/dbraw/zinc/25/95/19/139259519.db2.gz IHLSMBLXMYUISW-SJORKVTESA-N 1 3 341.459 1.732 10 0 EDAEHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000333112015 285188863 /nfs/dbraw/zinc/18/88/63/285188863.db2.gz GQRPIENJZPSXDN-SJORKVTESA-N 1 3 333.480 1.557 10 0 EDAEHO CCN1CCC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000194142736 273000752 /nfs/dbraw/zinc/00/07/52/273000752.db2.gz GFIDVVLIXHLJBU-QGZVFWFLSA-N 1 3 348.491 1.911 10 0 EDAEHO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CCN(C)C1=O ZINC000116278166 441808075 /nfs/dbraw/zinc/80/80/75/441808075.db2.gz IBSWPJHMVVNORK-MOPGFXCFSA-N 1 3 345.487 1.595 10 0 EDAEHO CCN1CCC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000175669167 442103382 /nfs/dbraw/zinc/10/33/82/442103382.db2.gz HRANLXPPVRHWML-MRXNPFEDSA-N 1 3 340.512 1.613 10 0 EDAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCN1CCOC ZINC000246113268 443269620 /nfs/dbraw/zinc/26/96/20/443269620.db2.gz HWKNLBULBBOQEO-IKGGRYGDSA-N 1 3 338.496 1.365 10 0 EDAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCN1CCOC ZINC000246113268 443269624 /nfs/dbraw/zinc/26/96/24/443269624.db2.gz HWKNLBULBBOQEO-IKGGRYGDSA-N 1 3 338.496 1.365 10 0 EDAEHO C[C@@H](NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568499305 321294069 /nfs/dbraw/zinc/29/40/69/321294069.db2.gz FYJBEFJFNRFGQC-UYAOXDASSA-N 1 3 330.520 1.782 10 0 EDAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN(C)CCOC ZINC000173986729 529304443 /nfs/dbraw/zinc/30/44/43/529304443.db2.gz NVVXPTCNKOZDQC-JKSUJKDBSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCN(C)CCOC ZINC000173986729 529304444 /nfs/dbraw/zinc/30/44/44/529304444.db2.gz NVVXPTCNKOZDQC-JKSUJKDBSA-N 1 3 326.485 1.223 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000176014384 282137373 /nfs/dbraw/zinc/13/73/73/282137373.db2.gz YUDWHRCNOYTZMO-KRWDZBQOSA-N 1 3 338.496 1.365 10 0 EDAEHO C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)N1CCCC[C@@H]1C ZINC000262365904 139273641 /nfs/dbraw/zinc/27/36/41/139273641.db2.gz VQSSXYGZVCFMCA-DIECFANBSA-N 1 3 333.480 1.102 10 0 EDAEHO CN(C)CCn1ncc(Br)c1C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000164427891 226072753 /nfs/dbraw/zinc/07/27/53/226072753.db2.gz SHPCVSLVDXADRF-NXEZZACHSA-N 1 3 327.226 1.293 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000105862030 441293251 /nfs/dbraw/zinc/29/32/51/441293251.db2.gz YWLQJCMOUMGRHG-IRXDYDNUSA-N 1 3 347.503 1.716 10 0 EDAEHO CCCC[N@H+](C)CC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111684390 441539763 /nfs/dbraw/zinc/53/97/63/441539763.db2.gz UQUNFKSAUSWHRX-KRWDZBQOSA-N 1 3 325.497 1.414 10 0 EDAEHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111684390 441539766 /nfs/dbraw/zinc/53/97/66/441539766.db2.gz UQUNFKSAUSWHRX-KRWDZBQOSA-N 1 3 325.497 1.414 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000176446682 442223424 /nfs/dbraw/zinc/22/34/24/442223424.db2.gz AXASSUMCJBPKRO-INIZCTEOSA-N 1 3 347.503 1.913 10 0 EDAEHO CCCCCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588751 442360063 /nfs/dbraw/zinc/36/00/63/442360063.db2.gz DCDKXERBBODUGB-CVEARBPZSA-N 1 3 327.513 1.706 10 0 EDAEHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C12CCOCC2 ZINC000186322595 442511521 /nfs/dbraw/zinc/51/15/21/442511521.db2.gz CCSHJVIXZDDOJU-MSOLQXFVSA-N 1 3 339.524 1.578 10 0 EDAEHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C12CCOCC2 ZINC000248905251 442936198 /nfs/dbraw/zinc/93/61/98/442936198.db2.gz BASMLFCAMGIVRE-IXDOHACOSA-N 1 3 326.481 1.397 10 0 EDAEHO CCC[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)N(C)C ZINC000153184876 527981676 /nfs/dbraw/zinc/98/16/76/527981676.db2.gz YNZYEWBNKOCLJB-QGZVFWFLSA-N 1 3 348.491 1.325 10 0 EDAEHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N(C)C)n1C)C2 ZINC000888097997 591027470 /nfs/dbraw/zinc/02/74/70/591027470.db2.gz WVLPSSIAKWUSDE-KONPQCLYSA-N 1 3 335.496 1.055 10 0 EDAEHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N(C)C)n1C)C2 ZINC000888097997 591027475 /nfs/dbraw/zinc/02/74/75/591027475.db2.gz WVLPSSIAKWUSDE-KONPQCLYSA-N 1 3 335.496 1.055 10 0 EDAEHO COCCn1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097461 591028109 /nfs/dbraw/zinc/02/81/09/591028109.db2.gz JFNQPYNKHKWNEE-TVFCKZIOSA-N 1 3 336.480 1.099 10 0 EDAEHO COCCn1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097461 591028113 /nfs/dbraw/zinc/02/81/13/591028113.db2.gz JFNQPYNKHKWNEE-TVFCKZIOSA-N 1 3 336.480 1.099 10 0 EDAEHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccnn1CC1CC1)C2 ZINC000888097149 591028391 /nfs/dbraw/zinc/02/83/91/591028391.db2.gz CKDMXGDPBILQJD-MKXGPGLRSA-N 1 3 332.492 1.862 10 0 EDAEHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccnn1CC1CC1)C2 ZINC000888097149 591028394 /nfs/dbraw/zinc/02/83/94/591028394.db2.gz CKDMXGDPBILQJD-MKXGPGLRSA-N 1 3 332.492 1.862 10 0 EDAEHO CN([C@@H](C[NH3+])c1cncc(Br)c1)[C@@H]1CCCN(C)C1 ZINC000166131949 530032642 /nfs/dbraw/zinc/03/26/42/530032642.db2.gz MXJRBAFIJCOVEJ-KGLIPLIRSA-N 1 3 327.270 1.870 10 0 EDAEHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262273846 139265587 /nfs/dbraw/zinc/26/55/87/139265587.db2.gz SWLSUJZFXGALQS-VMNRDUPSSA-N 1 3 343.471 1.472 10 0 EDAEHO C[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000121127917 287368302 /nfs/dbraw/zinc/36/83/02/287368302.db2.gz GRNVEFADGDIFLT-CABCVRRESA-N 1 3 328.501 1.109 10 0 EDAEHO C[NH+](C)C[C@H]1CCCN1[C@@H](CN)c1cncc(Br)c1 ZINC000166133195 226149568 /nfs/dbraw/zinc/14/95/68/226149568.db2.gz HITJUWPVHKMCJJ-KGLIPLIRSA-N 1 3 327.270 1.870 10 0 EDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000247126926 278395851 /nfs/dbraw/zinc/39/58/51/278395851.db2.gz KBAFHPSBFUCISN-IAGOWNOFSA-N 1 3 339.524 1.802 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000116792653 441847636 /nfs/dbraw/zinc/84/76/36/441847636.db2.gz PTCKYWYZEHDFFE-OALUTQOASA-N 1 3 345.487 1.688 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000116792653 441847642 /nfs/dbraw/zinc/84/76/42/441847642.db2.gz PTCKYWYZEHDFFE-OALUTQOASA-N 1 3 345.487 1.688 10 0 EDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000170861707 442277863 /nfs/dbraw/zinc/27/78/63/442277863.db2.gz HBXOOJMKQARDPU-GOSISDBHSA-N 1 3 330.476 1.997 10 0 EDAEHO CC1CC[NH+](CCCNC(=O)NC[C@@H](O)CN2CCCCC2)CC1 ZINC000192801095 442687577 /nfs/dbraw/zinc/68/75/77/442687577.db2.gz JCRDZFQCDPEJHT-QGZVFWFLSA-N 1 3 340.512 1.254 10 0 EDAEHO CC[C@H](C(N)=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247037385 442831293 /nfs/dbraw/zinc/83/12/93/442831293.db2.gz DMQKDWDWGVKUCU-QZTJIDSGSA-N 1 3 333.476 1.628 10 0 EDAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185813492 443262743 /nfs/dbraw/zinc/26/27/43/443262743.db2.gz YJCPWEJPHXENHB-IAGOWNOFSA-N 1 3 341.544 1.288 10 0 EDAEHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCOCC1 ZINC000638834328 451705296 /nfs/dbraw/zinc/70/52/96/451705296.db2.gz FHRBNVAPJOAKOG-RDJZCZTQSA-N 1 3 331.460 1.379 10 0 EDAEHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCOCC1 ZINC000638834328 451705299 /nfs/dbraw/zinc/70/52/99/451705299.db2.gz FHRBNVAPJOAKOG-RDJZCZTQSA-N 1 3 331.460 1.379 10 0 EDAEHO CCCC[NH+]1CCC(NC(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000117042110 201077160 /nfs/dbraw/zinc/07/71/60/201077160.db2.gz WZVDMSZGXXNFMY-INIZCTEOSA-N 1 3 326.485 1.223 10 0 EDAEHO C[NH+](C)[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000111606392 220169668 /nfs/dbraw/zinc/16/96/68/220169668.db2.gz MOMONYVLRJQQIA-IBGZPJMESA-N 1 3 344.503 1.751 10 0 EDAEHO C[C@H](C(=O)NCc1ccccc1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247404405 139147661 /nfs/dbraw/zinc/14/76/61/139147661.db2.gz YWLQJCMOUMGRHG-DLBZAZTESA-N 1 3 347.503 1.716 10 0 EDAEHO CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000262028079 139244999 /nfs/dbraw/zinc/24/49/99/139244999.db2.gz PEJAOGQWIDRQSM-KURKYZTESA-N 1 3 331.460 1.616 10 0 EDAEHO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OCCN(C)C)cc1 ZINC000180592537 207804677 /nfs/dbraw/zinc/80/46/77/207804677.db2.gz LONWSQNARAKQRA-GDBMZVCRSA-N 1 3 329.448 1.884 10 0 EDAEHO CN1CCNC[C@H]1c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000263163720 139325967 /nfs/dbraw/zinc/32/59/67/139325967.db2.gz FAIXJBOXCOQCQP-INIZCTEOSA-N 1 3 327.432 1.909 10 0 EDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000127225874 442183192 /nfs/dbraw/zinc/18/31/92/442183192.db2.gz RVXAHFXVAKFDKJ-OAHLLOKOSA-N 1 3 336.484 1.687 10 0 EDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000127225874 442183197 /nfs/dbraw/zinc/18/31/97/442183197.db2.gz RVXAHFXVAKFDKJ-OAHLLOKOSA-N 1 3 336.484 1.687 10 0 EDAEHO CCC[C@@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000188157879 442718208 /nfs/dbraw/zinc/71/82/08/442718208.db2.gz PMYKYQJKZRSSRM-AZUAARDMSA-N 1 3 347.503 1.812 10 0 EDAEHO CCC[C@@H](C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000188157879 442718211 /nfs/dbraw/zinc/71/82/11/442718211.db2.gz PMYKYQJKZRSSRM-AZUAARDMSA-N 1 3 347.503 1.812 10 0 EDAEHO C[C@@H](CCNC(=O)N1CCO[C@H](CN(C)C)C1)[NH+]1CCCCC1 ZINC000182675703 442804706 /nfs/dbraw/zinc/80/47/06/442804706.db2.gz FZMUCCJMCUTUEW-JKSUJKDBSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000183222786 442906955 /nfs/dbraw/zinc/90/69/55/442906955.db2.gz NBNKVGYWZBHSAV-INIZCTEOSA-N 1 3 334.464 1.578 10 0 EDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000183222786 442906961 /nfs/dbraw/zinc/90/69/61/442906961.db2.gz NBNKVGYWZBHSAV-INIZCTEOSA-N 1 3 334.464 1.578 10 0 EDAEHO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CNCCN2CC[NH3+])cc1 ZINC000616636064 450456720 /nfs/dbraw/zinc/45/67/20/450456720.db2.gz QWNJVGLWAAXHPP-INIZCTEOSA-N 1 3 334.464 1.963 10 0 EDAEHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236612325 535202617 /nfs/dbraw/zinc/20/26/17/535202617.db2.gz GSCLOXBKZNFFAB-GOSISDBHSA-N 1 3 330.476 1.780 10 0 EDAEHO CN1CC[C@H]([NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000116278148 441807640 /nfs/dbraw/zinc/80/76/40/441807640.db2.gz DGYGHRULHCGOGV-ZWKOTPCHSA-N 1 3 331.460 1.252 10 0 EDAEHO C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@H](CN(C)C)C2)([NH+](C)C)C1 ZINC000117037380 441862494 /nfs/dbraw/zinc/86/24/94/441862494.db2.gz KGKYDIXKEJSMSW-NUJGCVRESA-N 1 3 340.512 1.469 10 0 EDAEHO CCC[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N(C)C ZINC000128357179 442261250 /nfs/dbraw/zinc/26/12/50/442261250.db2.gz CTBLGYVWKPTFIF-KSZLIROESA-N 1 3 338.540 1.734 10 0 EDAEHO CCC[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N(C)C ZINC000128357179 442261254 /nfs/dbraw/zinc/26/12/54/442261254.db2.gz CTBLGYVWKPTFIF-KSZLIROESA-N 1 3 338.540 1.734 10 0 EDAEHO CCN1CCC[C@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000171200652 442326927 /nfs/dbraw/zinc/32/69/27/442326927.db2.gz MAWHNNNGNHTSIL-INIZCTEOSA-N 1 3 326.485 1.271 10 0 EDAEHO CCn1cnnc1C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000193000951 442704450 /nfs/dbraw/zinc/70/44/50/442704450.db2.gz ULQGVWXHUFHLDL-UHFFFAOYSA-N 1 3 348.539 1.894 10 0 EDAEHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000247127917 442837484 /nfs/dbraw/zinc/83/74/84/442837484.db2.gz SCIBBCFMIHBYSY-ARFHVFGLSA-N 1 3 326.485 1.005 10 0 EDAEHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247447597 536860895 /nfs/dbraw/zinc/86/08/95/536860895.db2.gz SMKCGSYFVRIZRZ-ARFHVFGLSA-N 1 3 326.485 1.125 10 0 EDAEHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247447597 536860898 /nfs/dbraw/zinc/86/08/98/536860898.db2.gz SMKCGSYFVRIZRZ-ARFHVFGLSA-N 1 3 326.485 1.125 10 0 EDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000152409385 204307377 /nfs/dbraw/zinc/30/73/77/204307377.db2.gz DVCUTUOPLPKBGB-HZPDHXFCSA-N 1 3 326.485 1.079 10 0 EDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000152409385 204307379 /nfs/dbraw/zinc/30/73/79/204307379.db2.gz DVCUTUOPLPKBGB-HZPDHXFCSA-N 1 3 326.485 1.079 10 0 EDAEHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)N1CCOCC1 ZINC000123230476 204907733 /nfs/dbraw/zinc/90/77/33/204907733.db2.gz NLRFQTZGRVYWFR-IRXDYDNUSA-N 1 3 335.492 1.998 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000117052411 221028435 /nfs/dbraw/zinc/02/84/35/221028435.db2.gz FALKFAAXTQCXEK-LSDHHAIUSA-N 1 3 328.501 1.325 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000105862410 290084727 /nfs/dbraw/zinc/08/47/27/290084727.db2.gz KBAFHPSBFUCISN-IRXDYDNUSA-N 1 3 339.524 1.802 10 0 EDAEHO C[C@H](CNC(=O)[C@H](Cc1ccccc1)N(C)C)C[NH+]1CCN(C)CC1 ZINC000113447372 441610006 /nfs/dbraw/zinc/61/00/06/441610006.db2.gz TXPJLKMGSUZDAA-MJGOQNOKSA-N 1 3 346.519 1.159 10 0 EDAEHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117038189 441863652 /nfs/dbraw/zinc/86/36/52/441863652.db2.gz OXVTWUQZNSRMMQ-JKSUJKDBSA-N 1 3 340.512 1.469 10 0 EDAEHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117038189 441863657 /nfs/dbraw/zinc/86/36/57/441863657.db2.gz OXVTWUQZNSRMMQ-JKSUJKDBSA-N 1 3 340.512 1.469 10 0 EDAEHO C[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)N1CCOCC1 ZINC000123319301 441883785 /nfs/dbraw/zinc/88/37/85/441883785.db2.gz PVKJRIPKNBYAGX-SJORKVTESA-N 1 3 335.492 1.998 10 0 EDAEHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000154081044 442319979 /nfs/dbraw/zinc/31/99/79/442319979.db2.gz FVGPVHNXJJPNMZ-IRXDYDNUSA-N 1 3 340.512 1.397 10 0 EDAEHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000154081044 442319981 /nfs/dbraw/zinc/31/99/81/442319981.db2.gz FVGPVHNXJJPNMZ-IRXDYDNUSA-N 1 3 340.512 1.397 10 0 EDAEHO C[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000194476707 442904536 /nfs/dbraw/zinc/90/45/36/442904536.db2.gz QDWUNEVIUKVZPD-IAGOWNOFSA-N 1 3 340.512 1.253 10 0 EDAEHO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616653793 450457743 /nfs/dbraw/zinc/45/77/43/450457743.db2.gz KFJRMDUKMOXUGN-MRXNPFEDSA-N 1 3 334.464 1.963 10 0 EDAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643780291 452631519 /nfs/dbraw/zinc/63/15/19/452631519.db2.gz BTRVGPCOLDARKG-WMZOPIPTSA-N 1 3 331.460 1.345 10 0 EDAEHO CN1CCNC[C@H]1c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000263147941 535913843 /nfs/dbraw/zinc/91/38/43/535913843.db2.gz CVPGMGGPRUFSJW-AWEZNQCLSA-N 1 3 331.420 1.253 10 0 EDAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCN(C)CCOC ZINC000246318714 536165224 /nfs/dbraw/zinc/16/52/24/536165224.db2.gz NVVXPTCNKOZDQC-HOTGVXAUSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCN(C)CCOC ZINC000246318714 536165229 /nfs/dbraw/zinc/16/52/29/536165229.db2.gz NVVXPTCNKOZDQC-HOTGVXAUSA-N 1 3 326.485 1.223 10 0 EDAEHO CNc1cc(N2CCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ncn1 ZINC000246308308 539614746 /nfs/dbraw/zinc/61/47/46/539614746.db2.gz DPBLDNMZPBSINE-HRCADAONSA-N 1 3 330.480 1.704 10 0 EDAEHO CNc1cc(N2CCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ncn1 ZINC000246308308 539614750 /nfs/dbraw/zinc/61/47/50/539614750.db2.gz DPBLDNMZPBSINE-HRCADAONSA-N 1 3 330.480 1.704 10 0 EDAEHO CN(C)[C@H](CNC(=O)CN1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249275458 139190247 /nfs/dbraw/zinc/19/02/47/139190247.db2.gz CVJSMLCYPJOSRA-ZWKOTPCHSA-N 1 3 330.476 1.186 10 0 EDAEHO CN(C)[C@H](CNC(=O)CN1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249275458 139190248 /nfs/dbraw/zinc/19/02/48/139190248.db2.gz CVJSMLCYPJOSRA-ZWKOTPCHSA-N 1 3 330.476 1.186 10 0 EDAEHO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)CC(C)C ZINC000117029605 221024352 /nfs/dbraw/zinc/02/43/52/221024352.db2.gz GRCMAEHMDGFTCY-IRXDYDNUSA-N 1 3 342.528 1.715 10 0 EDAEHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333475967 141323647 /nfs/dbraw/zinc/32/36/47/141323647.db2.gz BLZNNUWMPFHPIG-BFYDXBDKSA-N 1 3 338.496 1.269 10 0 EDAEHO CC(C)C[C@H](CN(C)C)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114021142 279127438 /nfs/dbraw/zinc/12/74/38/279127438.db2.gz BIZAZXMVPZPCDQ-OAHLLOKOSA-N 1 3 328.501 1.373 10 0 EDAEHO C[C@H](C(=O)N(C)C)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915750 441316228 /nfs/dbraw/zinc/31/62/28/441316228.db2.gz QJUDXYSRWUCNNU-APWZRJJASA-N 1 3 347.503 1.841 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000117036929 441863757 /nfs/dbraw/zinc/86/37/57/441863757.db2.gz ABLNYIURJLNZRG-QZTJIDSGSA-N 1 3 348.491 1.131 10 0 EDAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182375833 442761485 /nfs/dbraw/zinc/76/14/85/442761485.db2.gz AQPSDLWLNGDWNZ-QGZVFWFLSA-N 1 3 341.544 1.242 10 0 EDAEHO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1CCNC1=O ZINC000245667512 443242840 /nfs/dbraw/zinc/24/28/40/443242840.db2.gz BCGUDRBNAHSEBK-ROUUACIJSA-N 1 3 331.460 1.252 10 0 EDAEHO CC[C@H](C)[C@H](N)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262706565 535950634 /nfs/dbraw/zinc/95/06/34/535950634.db2.gz MNGVYBWAOONMIH-RDJZCZTQSA-N 1 3 327.513 1.957 10 0 EDAEHO CC[C@H](C)[C@H](N)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000262706565 535950638 /nfs/dbraw/zinc/95/06/38/535950638.db2.gz MNGVYBWAOONMIH-RDJZCZTQSA-N 1 3 327.513 1.957 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000117031957 282137398 /nfs/dbraw/zinc/13/73/98/282137398.db2.gz WTTQJCLGJFZSIY-KRWDZBQOSA-N 1 3 340.512 1.613 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000117031957 282137399 /nfs/dbraw/zinc/13/73/99/282137399.db2.gz WTTQJCLGJFZSIY-KRWDZBQOSA-N 1 3 340.512 1.613 10 0 EDAEHO Cc1cccc(N2CCN(CCC(=O)N3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000237718287 139058542 /nfs/dbraw/zinc/05/85/42/139058542.db2.gz DBLJYYUXPHIHGL-IBGZPJMESA-N 1 3 344.503 1.847 10 0 EDAEHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262109060 139251610 /nfs/dbraw/zinc/25/16/10/139251610.db2.gz FESDVHVHHLTZFH-SJORKVTESA-N 1 3 341.459 1.732 10 0 EDAEHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117038187 221027336 /nfs/dbraw/zinc/02/73/36/221027336.db2.gz OXVTWUQZNSRMMQ-HZPDHXFCSA-N 1 3 340.512 1.469 10 0 EDAEHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117038187 221027337 /nfs/dbraw/zinc/02/73/37/221027337.db2.gz OXVTWUQZNSRMMQ-HZPDHXFCSA-N 1 3 340.512 1.469 10 0 EDAEHO CCC[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)N(C)C ZINC000245734073 287717461 /nfs/dbraw/zinc/71/74/61/287717461.db2.gz CTBLGYVWKPTFIF-KZNAEPCWSA-N 1 3 338.540 1.734 10 0 EDAEHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)C(C)(C)C ZINC000116567400 441830317 /nfs/dbraw/zinc/83/03/17/441830317.db2.gz HTCBTYIEMKRDTK-CVEARBPZSA-N 1 3 342.528 1.499 10 0 EDAEHO COCC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000140260161 441836092 /nfs/dbraw/zinc/83/60/92/441836092.db2.gz SOHYZRBPXQQYGF-GOSISDBHSA-N 1 3 348.491 1.699 10 0 EDAEHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000173977696 441873755 /nfs/dbraw/zinc/87/37/55/441873755.db2.gz ZJPWFMSQWUEVDC-SFHVURJKSA-N 1 3 330.476 1.605 10 0 EDAEHO CC(C)OCCN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000176625344 442241250 /nfs/dbraw/zinc/24/12/50/442241250.db2.gz CYVSRKOPGYJGEG-QGZVFWFLSA-N 1 3 338.496 1.365 10 0 EDAEHO CC(C)OCCN1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000176625344 442241254 /nfs/dbraw/zinc/24/12/54/442241254.db2.gz CYVSRKOPGYJGEG-QGZVFWFLSA-N 1 3 338.496 1.365 10 0 EDAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000389993659 447490286 /nfs/dbraw/zinc/49/02/86/447490286.db2.gz PNKUCVVWQFVOPF-SJLPKXTDSA-N 1 3 344.503 1.307 10 0 EDAEHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391027587 447509563 /nfs/dbraw/zinc/50/95/63/447509563.db2.gz UCRHCLOWYKOONJ-RBUKOAKNSA-N 1 3 345.487 1.783 10 0 EDAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644154008 453086671 /nfs/dbraw/zinc/08/66/71/453086671.db2.gz LSCUFMCGJLXMKY-UKRRQHHQSA-N 1 3 325.403 1.868 10 0 EDAEHO CNCc1cc(Br)cnc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191696 202341206 /nfs/dbraw/zinc/34/12/06/202341206.db2.gz OYWGTTHBYJSYOO-LLVKDONJSA-N 1 3 327.270 1.951 10 0 EDAEHO CNCc1cc(Br)cnc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191696 202341209 /nfs/dbraw/zinc/34/12/09/202341209.db2.gz OYWGTTHBYJSYOO-LLVKDONJSA-N 1 3 327.270 1.951 10 0 EDAEHO CN1CCC(Oc2cccc3c2CN(C(C)(C)CO)[C@H]3C[NH3+])CC1 ZINC000071684984 203103067 /nfs/dbraw/zinc/10/30/67/203103067.db2.gz JOMTVADZHIIXAV-KRWDZBQOSA-N 1 3 333.476 1.746 10 0 EDAEHO C[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[C@@H](N)c1ccccc1 ZINC000245581730 139079974 /nfs/dbraw/zinc/07/99/74/139079974.db2.gz BREOGXJYGUKCHK-FRQCXROJSA-N 1 3 347.503 1.874 10 0 EDAEHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CCNC(C)(C)C2)cc1 ZINC000333677739 141354950 /nfs/dbraw/zinc/35/49/50/141354950.db2.gz OHCQULIBVLVIDG-DLBZAZTESA-N 1 3 346.475 1.534 10 0 EDAEHO C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000121128066 287368394 /nfs/dbraw/zinc/36/83/94/287368394.db2.gz GRNVEFADGDIFLT-LSDHHAIUSA-N 1 3 328.501 1.109 10 0 EDAEHO CN(C)[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000192797041 272986474 /nfs/dbraw/zinc/98/64/74/272986474.db2.gz WEIAACIWXUKWMO-MSOLQXFVSA-N 1 3 348.491 1.435 10 0 EDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114834390 441688195 /nfs/dbraw/zinc/68/81/95/441688195.db2.gz XXQMNLCFNQSTCK-ZWKOTPCHSA-N 1 3 330.476 1.997 10 0 EDAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171377498 442344642 /nfs/dbraw/zinc/34/46/42/442344642.db2.gz YMMGHNNRWIYXBI-RTBURBONSA-N 1 3 344.503 1.897 10 0 EDAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000171377498 442344644 /nfs/dbraw/zinc/34/46/44/442344644.db2.gz YMMGHNNRWIYXBI-RTBURBONSA-N 1 3 344.503 1.897 10 0 EDAEHO CN(C)CCOc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171900400 442388599 /nfs/dbraw/zinc/38/85/99/442388599.db2.gz KWOWIDBRBFZYFK-QGZVFWFLSA-N 1 3 346.475 1.617 10 0 EDAEHO CN(C)CCOc1ccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171900400 442388601 /nfs/dbraw/zinc/38/86/01/442388601.db2.gz KWOWIDBRBFZYFK-QGZVFWFLSA-N 1 3 346.475 1.617 10 0 EDAEHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171900400 442388602 /nfs/dbraw/zinc/38/86/02/442388602.db2.gz KWOWIDBRBFZYFK-QGZVFWFLSA-N 1 3 346.475 1.617 10 0 EDAEHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000192804999 442688004 /nfs/dbraw/zinc/68/80/04/442688004.db2.gz RVXNZSPDHATTBQ-GOSISDBHSA-N 1 3 348.491 1.394 10 0 EDAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390912854 447506992 /nfs/dbraw/zinc/50/69/92/447506992.db2.gz YKDQIHQORYHVLO-KBAYOESNSA-N 1 3 331.460 1.249 10 0 EDAEHO CCN(CC)CCN1C(N)=[NH+]C[C@H]1c1cncc(Br)c1 ZINC000166765552 528126639 /nfs/dbraw/zinc/12/66/39/528126639.db2.gz BLYGFJKIEABNIE-ZDUSSCGKSA-N 1 3 340.269 1.857 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000117031769 221025186 /nfs/dbraw/zinc/02/51/86/221025186.db2.gz OFYRHLMEFHBXER-IRXDYDNUSA-N 1 3 340.512 1.469 10 0 EDAEHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCNC(C)(C)C2)cc1 ZINC000333677742 141355196 /nfs/dbraw/zinc/35/51/96/141355196.db2.gz OHCQULIBVLVIDG-SJORKVTESA-N 1 3 346.475 1.534 10 0 EDAEHO CN(CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)Cc1ccccc1 ZINC000117038116 441863036 /nfs/dbraw/zinc/86/30/36/441863036.db2.gz GSGWSTODVLICOS-QGZVFWFLSA-N 1 3 334.464 1.090 10 0 EDAEHO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CCNC1=O ZINC000178199383 442414901 /nfs/dbraw/zinc/41/49/01/442414901.db2.gz BCGUDRBNAHSEBK-MSOLQXFVSA-N 1 3 331.460 1.252 10 0 EDAEHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246553780 442792032 /nfs/dbraw/zinc/79/20/32/442792032.db2.gz WFISJQDXWHEQOS-OIISXLGYSA-N 1 3 325.497 1.625 10 0 EDAEHO CC[NH+]1CCC(CCNC(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000175949317 285184351 /nfs/dbraw/zinc/18/43/51/285184351.db2.gz QXXQPBQRBINGBX-INIZCTEOSA-N 1 3 326.485 1.080 10 0 EDAEHO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249361464 279301084 /nfs/dbraw/zinc/30/10/84/279301084.db2.gz SSGULFDKNBVOMU-RTBURBONSA-N 1 3 346.519 1.822 10 0 EDAEHO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249361464 279301087 /nfs/dbraw/zinc/30/10/87/279301087.db2.gz SSGULFDKNBVOMU-RTBURBONSA-N 1 3 346.519 1.822 10 0 EDAEHO CN(C)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000262152255 289123884 /nfs/dbraw/zinc/12/38/84/289123884.db2.gz HVIDHRNUKJXKQA-MSOLQXFVSA-N 1 3 341.459 1.318 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000161604864 442017107 /nfs/dbraw/zinc/01/71/07/442017107.db2.gz MUOSVOZTVLJPGS-KRWDZBQOSA-N 1 3 340.512 1.615 10 0 EDAEHO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000170831002 442270890 /nfs/dbraw/zinc/27/08/90/442270890.db2.gz RQRGUHABMQPFSZ-ZWKOTPCHSA-N 1 3 330.476 1.997 10 0 EDAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903627 442389235 /nfs/dbraw/zinc/38/92/35/442389235.db2.gz AQWFSTSKBTWZFI-ZWKOTPCHSA-N 1 3 330.476 1.649 10 0 EDAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171903627 442389237 /nfs/dbraw/zinc/38/92/37/442389237.db2.gz AQWFSTSKBTWZFI-ZWKOTPCHSA-N 1 3 330.476 1.649 10 0 EDAEHO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CN(CC[NH3+])CCN2)c1 ZINC000616634525 450456307 /nfs/dbraw/zinc/45/63/07/450456307.db2.gz UUQSEPOQVSAJRH-INIZCTEOSA-N 1 3 334.464 1.963 10 0 EDAEHO COC(=O)c1ccccc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179514858 534290231 /nfs/dbraw/zinc/29/02/31/534290231.db2.gz CABRXNIBPMAGIJ-OAHLLOKOSA-N 1 3 334.460 1.998 10 0 EDAEHO CC(C)(O)CN1CCN(c2cccc(Br)c2C[NH3+])CC1 ZINC000168316214 527344884 /nfs/dbraw/zinc/34/48/84/527344884.db2.gz UMJLVOYGHNTFBK-UHFFFAOYSA-N 1 3 342.281 1.801 10 0 EDAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246759553 287009399 /nfs/dbraw/zinc/00/93/99/287009399.db2.gz MTEXGSCWSQNUDQ-CVEARBPZSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246759553 287009400 /nfs/dbraw/zinc/00/94/00/287009400.db2.gz MTEXGSCWSQNUDQ-CVEARBPZSA-N 1 3 326.485 1.223 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000185176565 289215494 /nfs/dbraw/zinc/21/54/94/289215494.db2.gz QXAVDNSSTVZWEN-HNNXBMFYSA-N 1 3 326.485 1.080 10 0 EDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000152383839 442205950 /nfs/dbraw/zinc/20/59/50/442205950.db2.gz VAQCUIPPZYJOJE-IAGOWNOFSA-N 1 3 340.512 1.253 10 0 EDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000152383839 442205954 /nfs/dbraw/zinc/20/59/54/442205954.db2.gz VAQCUIPPZYJOJE-IAGOWNOFSA-N 1 3 340.512 1.253 10 0 EDAEHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000192804987 442688150 /nfs/dbraw/zinc/68/81/50/442688150.db2.gz RVXNZSPDHATTBQ-SFHVURJKSA-N 1 3 348.491 1.394 10 0 EDAEHO CC(C)N1CCC[C@@H](N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000248334300 442887370 /nfs/dbraw/zinc/88/73/70/442887370.db2.gz GCDHZIODEQZHLL-DOTOQJQBSA-N 1 3 325.497 1.410 10 0 EDAEHO CCC(CC)NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588779 282207431 /nfs/dbraw/zinc/20/74/31/282207431.db2.gz WHDNYJDUYNSDAD-HUUCEWRRSA-N 1 3 327.513 1.704 10 0 EDAEHO C[NH2+][C@@H](Cc1ccc(Br)cn1)C[C@H]1CN(C)CCN1C ZINC000167997090 530042812 /nfs/dbraw/zinc/04/28/12/530042812.db2.gz QOZSMJNTFDOIFS-GJZGRUSLSA-N 1 3 341.297 1.611 10 0 EDAEHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000247250687 139142408 /nfs/dbraw/zinc/14/24/08/139142408.db2.gz ZRAGVJNFGKJDSM-MISYRCLQSA-N 1 3 346.519 1.728 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCO1 ZINC000119006010 221221650 /nfs/dbraw/zinc/22/16/50/221221650.db2.gz AGCVRILVNCDJQX-GPANFISMSA-N 1 3 326.485 1.079 10 0 EDAEHO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000163126624 442145711 /nfs/dbraw/zinc/14/57/11/442145711.db2.gz ZOHJHTJGQCQYSD-LJQANCHMSA-N 1 3 345.487 1.667 10 0 EDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638107817 451274456 /nfs/dbraw/zinc/27/44/56/451274456.db2.gz HVBPWNHXIMNSDA-ROUUACIJSA-N 1 3 332.492 1.388 10 0 EDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638107817 451274460 /nfs/dbraw/zinc/27/44/60/451274460.db2.gz HVBPWNHXIMNSDA-ROUUACIJSA-N 1 3 332.492 1.388 10 0 EDAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248866451 139178281 /nfs/dbraw/zinc/17/82/81/139178281.db2.gz QDYJRCNCKWBWAP-KBAYOESNSA-N 1 3 330.476 1.852 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000117052409 221027838 /nfs/dbraw/zinc/02/78/38/221027838.db2.gz FALKFAAXTQCXEK-CABCVRRESA-N 1 3 328.501 1.325 10 0 EDAEHO CC(C)(CNC(=O)NC[C@@H](O)CN1CCCCC1)[NH+]1CCCCC1 ZINC000192797844 272986674 /nfs/dbraw/zinc/98/66/74/272986674.db2.gz GCCRYVMNGWSAFM-MRXNPFEDSA-N 1 3 340.512 1.397 10 0 EDAEHO C[C@@H](C(=O)N(C)C)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915747 274190008 /nfs/dbraw/zinc/19/00/08/274190008.db2.gz QJUDXYSRWUCNNU-LPHOPBHVSA-N 1 3 347.503 1.841 10 0 EDAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248866453 288218361 /nfs/dbraw/zinc/21/83/61/288218361.db2.gz QDYJRCNCKWBWAP-NXHRZFHOSA-N 1 3 330.476 1.852 10 0 EDAEHO C[N@H+](CCNC(=O)NC[C@H](O)CN1CCCCC1)C1CCCC1 ZINC000105294078 441249611 /nfs/dbraw/zinc/24/96/11/441249611.db2.gz REQMEGMVGCGKDO-INIZCTEOSA-N 1 3 326.485 1.007 10 0 EDAEHO C[N@@H+](CCNC(=O)NC[C@H](O)CN1CCCCC1)C1CCCC1 ZINC000105294078 441249613 /nfs/dbraw/zinc/24/96/13/441249613.db2.gz REQMEGMVGCGKDO-INIZCTEOSA-N 1 3 326.485 1.007 10 0 EDAEHO CCC[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N(C)C ZINC000126388575 442106609 /nfs/dbraw/zinc/10/66/09/442106609.db2.gz FXZNWYRYTRPFJP-QGZVFWFLSA-N 1 3 325.497 1.820 10 0 EDAEHO CC[C@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)N(C)C ZINC000165669085 442209835 /nfs/dbraw/zinc/20/98/35/442209835.db2.gz PXYUYMWFHPMNTJ-MOPGFXCFSA-N 1 3 347.503 1.888 10 0 EDAEHO CCCN1CCC([NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)CC1 ZINC000183216517 442905055 /nfs/dbraw/zinc/90/50/55/442905055.db2.gz JAASYLFQCMCLFA-MRXNPFEDSA-N 1 3 332.496 1.951 10 0 EDAEHO CCC[NH+]1CCC(NC[C@H]2CCCN2c2cc(NC)ncn2)CC1 ZINC000183216517 442905058 /nfs/dbraw/zinc/90/50/58/442905058.db2.gz JAASYLFQCMCLFA-MRXNPFEDSA-N 1 3 332.496 1.951 10 0 EDAEHO CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N(C)C ZINC000183404788 442927968 /nfs/dbraw/zinc/92/79/68/442927968.db2.gz JDHQBSFGZQRDRO-ROUUACIJSA-N 1 3 333.476 1.600 10 0 EDAEHO CCC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N(C)C ZINC000183404788 442927971 /nfs/dbraw/zinc/92/79/71/442927971.db2.gz JDHQBSFGZQRDRO-ROUUACIJSA-N 1 3 333.476 1.600 10 0 EDAEHO CC[NH+](CC)CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190678968 443163403 /nfs/dbraw/zinc/16/34/03/443163403.db2.gz KUZSKCZDIQHDIT-SFHVURJKSA-N 1 3 347.507 1.887 10 0 EDAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644154009 453086899 /nfs/dbraw/zinc/08/68/99/453086899.db2.gz LSCUFMCGJLXMKY-ZFWWWQNUSA-N 1 3 325.403 1.868 10 0 EDAEHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(N(C)C)n1C)C2 ZINC000888097999 591027151 /nfs/dbraw/zinc/02/71/51/591027151.db2.gz WVLPSSIAKWUSDE-YFHUEUNASA-N 1 3 335.496 1.055 10 0 EDAEHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(N(C)C)n1C)C2 ZINC000888097999 591027154 /nfs/dbraw/zinc/02/71/54/591027154.db2.gz WVLPSSIAKWUSDE-YFHUEUNASA-N 1 3 335.496 1.055 10 0 EDAEHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000184554412 703434231 /nfs/dbraw/zinc/43/42/31/703434231.db2.gz RLWPHVTWBKHNPJ-ARFHVFGLSA-N 1 3 341.496 1.869 10 0 EDAEHO O=C(NCCCN1CCc2ccccc2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247219035 139141179 /nfs/dbraw/zinc/14/11/79/139141179.db2.gz BPGGUKVJQZAJTD-IBGZPJMESA-N 1 3 342.487 1.924 10 0 EDAEHO O=C(NCCCN1CCc2ccccc2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247219035 139141180 /nfs/dbraw/zinc/14/11/80/139141180.db2.gz BPGGUKVJQZAJTD-IBGZPJMESA-N 1 3 342.487 1.924 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000116792649 441848522 /nfs/dbraw/zinc/84/85/22/441848522.db2.gz PTCKYWYZEHDFFE-MOPGFXCFSA-N 1 3 345.487 1.688 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000116792649 441848531 /nfs/dbraw/zinc/84/85/31/441848531.db2.gz PTCKYWYZEHDFFE-MOPGFXCFSA-N 1 3 345.487 1.688 10 0 EDAEHO CC(C)N1CCC[C@H](N(C)CC2CC[NH+](C[C@@H](C)O)CC2)C1=O ZINC000177710389 442373481 /nfs/dbraw/zinc/37/34/81/442373481.db2.gz GCDHZIODEQZHLL-WBVHZDCISA-N 1 3 325.497 1.410 10 0 EDAEHO C[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000194476681 442904488 /nfs/dbraw/zinc/90/44/88/442904488.db2.gz QDWUNEVIUKVZPD-SJORKVTESA-N 1 3 340.512 1.253 10 0 EDAEHO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)O1 ZINC000261931943 139238251 /nfs/dbraw/zinc/23/82/51/139238251.db2.gz ZWOFBCIVGZDLLW-MSOLQXFVSA-N 1 3 347.459 1.336 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000117027557 221024440 /nfs/dbraw/zinc/02/44/40/221024440.db2.gz DJHLZSKDJNCZAY-GOSISDBHSA-N 1 3 348.491 1.481 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000117027557 221024443 /nfs/dbraw/zinc/02/44/43/221024443.db2.gz DJHLZSKDJNCZAY-GOSISDBHSA-N 1 3 348.491 1.481 10 0 EDAEHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)N1CCOCC1 ZINC000123319094 222256119 /nfs/dbraw/zinc/25/61/19/222256119.db2.gz PVKJRIPKNBYAGX-IRXDYDNUSA-N 1 3 335.492 1.998 10 0 EDAEHO C[C@H]1CN(CC2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000261773347 300252138 /nfs/dbraw/zinc/25/21/38/300252138.db2.gz OPOPIIHVOUUSOS-UOVPBQLFSA-N 1 3 337.508 1.852 10 0 EDAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000113601864 441617448 /nfs/dbraw/zinc/61/74/48/441617448.db2.gz VEHOOBZVAGFCEP-FUHWJXTLSA-N 1 3 330.476 1.997 10 0 EDAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000113601864 441617453 /nfs/dbraw/zinc/61/74/53/441617453.db2.gz VEHOOBZVAGFCEP-FUHWJXTLSA-N 1 3 330.476 1.997 10 0 EDAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390907436 447507065 /nfs/dbraw/zinc/50/70/65/447507065.db2.gz SSCVHUDJYRYUQF-ROUUACIJSA-N 1 3 333.476 1.767 10 0 EDAEHO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CNCCN2CC[NH3+])c1 ZINC000616602742 450454334 /nfs/dbraw/zinc/45/43/34/450454334.db2.gz BECBEVYGQUUREX-MRXNPFEDSA-N 1 3 334.464 1.963 10 0 EDAEHO CCC[C@H](N)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000236798509 535675951 /nfs/dbraw/zinc/67/59/51/535675951.db2.gz SIWMXUUXGLQABT-HNNXBMFYSA-N 1 3 340.512 1.056 10 0 EDAEHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179743762 233393534 /nfs/dbraw/zinc/39/35/34/233393534.db2.gz AQPPSUFTFCDJSG-GOSISDBHSA-N 1 3 343.475 1.788 10 0 EDAEHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179743762 233393543 /nfs/dbraw/zinc/39/35/43/233393543.db2.gz AQPPSUFTFCDJSG-GOSISDBHSA-N 1 3 343.475 1.788 10 0 EDAEHO CC(C)[C@H](N)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236751325 139030470 /nfs/dbraw/zinc/03/04/70/139030470.db2.gz UXIMDVSOFAXLIX-SFHVURJKSA-N 1 3 333.476 1.803 10 0 EDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000247404420 139147787 /nfs/dbraw/zinc/14/77/87/139147787.db2.gz YWLQJCMOUMGRHG-IAGOWNOFSA-N 1 3 347.503 1.716 10 0 EDAEHO C[NH2+][C@H](Cc1cncc(Br)c1)C[C@@H]1CN(C)CCN1C ZINC000167996536 533010362 /nfs/dbraw/zinc/01/03/62/533010362.db2.gz HOPVFSVJFSUAOS-HUUCEWRRSA-N 1 3 341.297 1.611 10 0 EDAEHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170844686 442273886 /nfs/dbraw/zinc/27/38/86/442273886.db2.gz CIHHVLDCYMFXNG-KRWDZBQOSA-N 1 3 346.475 1.629 10 0 EDAEHO COC(=O)CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915704 441315715 /nfs/dbraw/zinc/31/57/15/441315715.db2.gz CELVPRWVXBGGED-GOSISDBHSA-N 1 3 334.460 1.927 10 0 EDAEHO COC(=O)CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915704 441315718 /nfs/dbraw/zinc/31/57/18/441315718.db2.gz CELVPRWVXBGGED-GOSISDBHSA-N 1 3 334.460 1.927 10 0 EDAEHO CCC(CC)NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247384744 442851003 /nfs/dbraw/zinc/85/10/03/442851003.db2.gz WHDNYJDUYNSDAD-LSDHHAIUSA-N 1 3 327.513 1.704 10 0 EDAEHO CCN(CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C1CC1 ZINC000185035653 443123222 /nfs/dbraw/zinc/12/32/22/443123222.db2.gz HOUPESJTXYWOTG-HNNXBMFYSA-N 1 3 340.512 1.205 10 0 EDAEHO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CN(CC[NH3+])CCN2)c1 ZINC000616656887 450457773 /nfs/dbraw/zinc/45/77/73/450457773.db2.gz UUQSEPOQVSAJRH-MRXNPFEDSA-N 1 3 334.464 1.963 10 0 EDAEHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(N(C)C)nc1)C2 ZINC000888097292 591027967 /nfs/dbraw/zinc/02/79/67/591027967.db2.gz GWFPDTKBILNXPW-RWQQGDIJSA-N 1 3 332.492 1.717 10 0 EDAEHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(N(C)C)nc1)C2 ZINC000888097292 591027972 /nfs/dbraw/zinc/02/79/72/591027972.db2.gz GWFPDTKBILNXPW-RWQQGDIJSA-N 1 3 332.492 1.717 10 0 EDAEHO COCCOc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262124746 139253016 /nfs/dbraw/zinc/25/30/16/139253016.db2.gz MSYVMOYTFHXUIE-KRWDZBQOSA-N 1 3 349.475 1.200 10 0 EDAEHO C[NH2+][C@H](Cc1cncc(Br)c1)C[C@H]1CN(C)CCN1C ZINC000167996760 533010306 /nfs/dbraw/zinc/01/03/06/533010306.db2.gz HOPVFSVJFSUAOS-CABCVRRESA-N 1 3 341.297 1.611 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000117031766 221024693 /nfs/dbraw/zinc/02/46/93/221024693.db2.gz OFYRHLMEFHBXER-SJORKVTESA-N 1 3 340.512 1.469 10 0 EDAEHO C[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000117039936 221026240 /nfs/dbraw/zinc/02/62/40/221026240.db2.gz GABNUEPGBHRLDJ-HOTGVXAUSA-N 1 3 326.485 1.079 10 0 EDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000186123689 279325630 /nfs/dbraw/zinc/32/56/30/279325630.db2.gz YAYUGKPFMHTKQW-IRXDYDNUSA-N 1 3 339.528 1.138 10 0 EDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000186123689 279325633 /nfs/dbraw/zinc/32/56/33/279325633.db2.gz YAYUGKPFMHTKQW-IRXDYDNUSA-N 1 3 339.528 1.138 10 0 EDAEHO CN1C[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C(F)(F)F)C1 ZINC000299739776 444129337 /nfs/dbraw/zinc/12/93/37/444129337.db2.gz AVCNIAGYLNFBAG-GHMZBOCLSA-N 1 3 333.358 1.123 10 0 EDAEHO CN(C)C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000262410508 282132507 /nfs/dbraw/zinc/13/25/07/282132507.db2.gz ZFZCHYOAEUDJMX-SQNIBIBYSA-N 1 3 341.459 1.142 10 0 EDAEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246445440 139108833 /nfs/dbraw/zinc/10/88/33/139108833.db2.gz ODFCRJWTKPASSV-IAGOWNOFSA-N 1 3 340.512 1.253 10 0 EDAEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246445440 139108834 /nfs/dbraw/zinc/10/88/34/139108834.db2.gz ODFCRJWTKPASSV-IAGOWNOFSA-N 1 3 340.512 1.253 10 0 EDAEHO CN(C)[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117024317 221023146 /nfs/dbraw/zinc/02/31/46/221023146.db2.gz VDHWRKTZTRVNMH-DLBZAZTESA-N 1 3 334.464 1.261 10 0 EDAEHO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000252442129 278199896 /nfs/dbraw/zinc/19/98/96/278199896.db2.gz QLNZXIGRXGRDDY-AEFFLSMTSA-N 1 3 330.476 1.997 10 0 EDAEHO C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000252442129 278199897 /nfs/dbraw/zinc/19/98/97/278199897.db2.gz QLNZXIGRXGRDDY-AEFFLSMTSA-N 1 3 330.476 1.997 10 0 EDAEHO CCN(CC)CC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173468240 441760781 /nfs/dbraw/zinc/76/07/81/441760781.db2.gz NURNLODHYNVLNC-IBGZPJMESA-N 1 3 347.503 1.890 10 0 EDAEHO CCn1cnnc1[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191587698 442470987 /nfs/dbraw/zinc/47/09/87/442470987.db2.gz BNGYCFOFHWHXCR-SFHVURJKSA-N 1 3 348.539 1.894 10 0 EDAEHO CCn1cnnc1[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191587698 442470993 /nfs/dbraw/zinc/47/09/93/442470993.db2.gz BNGYCFOFHWHXCR-SFHVURJKSA-N 1 3 348.539 1.894 10 0 EDAEHO CC(C)N1CCC[C@H](N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000248334301 442887292 /nfs/dbraw/zinc/88/72/92/442887292.db2.gz GCDHZIODEQZHLL-RDJZCZTQSA-N 1 3 325.497 1.410 10 0 EDAEHO COC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000659288636 453704159 /nfs/dbraw/zinc/70/41/59/453704159.db2.gz MJIHEJRNBSJFPT-HQRMLTQVSA-N 1 3 345.487 1.782 10 0 EDAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181066066 534027607 /nfs/dbraw/zinc/02/76/07/534027607.db2.gz BPVREKHPIZRMCG-SJLPKXTDSA-N 1 3 330.476 1.997 10 0 EDAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000181066066 534027616 /nfs/dbraw/zinc/02/76/16/534027616.db2.gz BPVREKHPIZRMCG-SJLPKXTDSA-N 1 3 330.476 1.997 10 0 EDAEHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CCNC(C)(C)C2)cc1 ZINC000333677740 536943766 /nfs/dbraw/zinc/94/37/66/536943766.db2.gz OHCQULIBVLVIDG-IAGOWNOFSA-N 1 3 346.475 1.534 10 0 EDAEHO CC(C)(C)[NH+]1CCC(NC(=O)NCC2CCN(CCO)CC2)CC1 ZINC000111834695 220201695 /nfs/dbraw/zinc/20/16/95/220201695.db2.gz YAFYCVOBJKCPGD-UHFFFAOYSA-N 1 3 340.512 1.253 10 0 EDAEHO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000091907509 218086949 /nfs/dbraw/zinc/08/69/49/218086949.db2.gz VCLJRWMKJQZJFK-MSOLQXFVSA-N 1 3 348.443 1.149 10 0 EDAEHO Cn1cncc1C[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171627150 227183852 /nfs/dbraw/zinc/18/38/52/227183852.db2.gz DXXSSVVTZCWUEC-LJQANCHMSA-N 1 3 328.460 1.955 10 0 EDAEHO C[C@H](C(=O)N1CCCCCC1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247126908 278137526 /nfs/dbraw/zinc/13/75/26/278137526.db2.gz KBAFHPSBFUCISN-DLBZAZTESA-N 1 3 339.524 1.802 10 0 EDAEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117046085 441862721 /nfs/dbraw/zinc/86/27/21/441862721.db2.gz QKPPSMHIUFVOMR-HZPDHXFCSA-N 1 3 326.485 1.079 10 0 EDAEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117046085 441862724 /nfs/dbraw/zinc/86/27/24/441862724.db2.gz QKPPSMHIUFVOMR-HZPDHXFCSA-N 1 3 326.485 1.079 10 0 EDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(CCOC)CC1 ZINC000176273838 442203571 /nfs/dbraw/zinc/20/35/71/442203571.db2.gz SWHACERARDBYBR-INIZCTEOSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(CCOC)CC1 ZINC000176273838 442203573 /nfs/dbraw/zinc/20/35/73/442203573.db2.gz SWHACERARDBYBR-INIZCTEOSA-N 1 3 326.485 1.223 10 0 EDAEHO COc1cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1OCCN(C)C ZINC000178720087 442462691 /nfs/dbraw/zinc/46/26/91/442462691.db2.gz NGOHPHLPJHSWFL-LSDHHAIUSA-N 1 3 335.448 1.379 10 0 EDAEHO CCC[C@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)N(C)C ZINC000131606660 527981487 /nfs/dbraw/zinc/98/14/87/527981487.db2.gz RXBKBLYWBJQHBD-QGZVFWFLSA-N 1 3 348.491 1.325 10 0 EDAEHO COCCn1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097459 591028352 /nfs/dbraw/zinc/02/83/52/591028352.db2.gz JFNQPYNKHKWNEE-BRSBDYLESA-N 1 3 336.480 1.099 10 0 EDAEHO COCCn1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097459 591028356 /nfs/dbraw/zinc/02/83/56/591028356.db2.gz JFNQPYNKHKWNEE-BRSBDYLESA-N 1 3 336.480 1.099 10 0 EDAEHO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000252442130 139204476 /nfs/dbraw/zinc/20/44/76/139204476.db2.gz QLNZXIGRXGRDDY-WMZOPIPTSA-N 1 3 330.476 1.997 10 0 EDAEHO C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000252442130 139204477 /nfs/dbraw/zinc/20/44/77/139204477.db2.gz QLNZXIGRXGRDDY-WMZOPIPTSA-N 1 3 330.476 1.997 10 0 EDAEHO C[C@@H]1CCC[C@@](CNC(=O)N2CCO[C@H](CN(C)C)C2)([NH+](C)C)C1 ZINC000117037374 221027294 /nfs/dbraw/zinc/02/72/94/221027294.db2.gz KGKYDIXKEJSMSW-JFIYKMOQSA-N 1 3 340.512 1.469 10 0 EDAEHO COC[C@@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171973339 533362380 /nfs/dbraw/zinc/36/23/80/533362380.db2.gz BVIKIGUQJQMVQC-OALUTQOASA-N 1 3 336.476 1.371 10 0 EDAEHO COC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171973339 533362385 /nfs/dbraw/zinc/36/23/85/533362385.db2.gz BVIKIGUQJQMVQC-OALUTQOASA-N 1 3 336.476 1.371 10 0 EDAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000073719943 287263603 /nfs/dbraw/zinc/26/36/03/287263603.db2.gz FJZCHPPARVOMQQ-BBWFWOEESA-N 1 3 340.512 1.611 10 0 EDAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000073719943 287263605 /nfs/dbraw/zinc/26/36/05/287263605.db2.gz FJZCHPPARVOMQQ-BBWFWOEESA-N 1 3 340.512 1.611 10 0 EDAEHO C[NH+](C)[C@H]1CCCN([C@@H](CN)c2cncc(Br)c2)C1 ZINC000166157416 226150308 /nfs/dbraw/zinc/15/03/08/226150308.db2.gz YSTRYGMEXREILT-KBPBESRZSA-N 1 3 327.270 1.870 10 0 EDAEHO C[NH+](C)C[C@H]1C[C@H](O)CN1c1cccc(Br)c1CN ZINC000168320338 226211981 /nfs/dbraw/zinc/21/19/81/226211981.db2.gz OWZMYARBDCCHSF-MNOVXSKESA-N 1 3 328.254 1.409 10 0 EDAEHO COc1cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1OCCN(C)C ZINC000178720056 442462570 /nfs/dbraw/zinc/46/25/70/442462570.db2.gz NGOHPHLPJHSWFL-CABCVRRESA-N 1 3 335.448 1.379 10 0 EDAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390905115 447507237 /nfs/dbraw/zinc/50/72/37/447507237.db2.gz XUHFKWFKPZQJTK-UHOSZYNNSA-N 1 3 345.487 1.782 10 0 EDAEHO C[N@H+](CCOCCO)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000132961368 529923323 /nfs/dbraw/zinc/92/33/23/529923323.db2.gz HVPNECMZTNVXKO-IBGZPJMESA-N 1 3 336.476 1.373 10 0 EDAEHO C[N@@H+](CCOCCO)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000132961368 529923324 /nfs/dbraw/zinc/92/33/24/529923324.db2.gz HVPNECMZTNVXKO-IBGZPJMESA-N 1 3 336.476 1.373 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000246679003 139117408 /nfs/dbraw/zinc/11/74/08/139117408.db2.gz DCFWAMHABMYZDK-YVSFHVDLSA-N 1 3 339.524 1.799 10 0 EDAEHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2CCC[C@H]2C1 ZINC000248799329 139175906 /nfs/dbraw/zinc/17/59/06/139175906.db2.gz ZSENREKVWRFWEZ-OALUTQOASA-N 1 3 342.487 1.998 10 0 EDAEHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC[C@H]2C1 ZINC000248799329 139175907 /nfs/dbraw/zinc/17/59/07/139175907.db2.gz ZSENREKVWRFWEZ-OALUTQOASA-N 1 3 342.487 1.998 10 0 EDAEHO C[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)N1CCCC[C@H]1C ZINC000262365905 139273562 /nfs/dbraw/zinc/27/35/62/139273562.db2.gz VQSSXYGZVCFMCA-SRABZTEZSA-N 1 3 333.480 1.102 10 0 EDAEHO CN(C)[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117024311 221023156 /nfs/dbraw/zinc/02/31/56/221023156.db2.gz VDHWRKTZTRVNMH-IRXDYDNUSA-N 1 3 334.464 1.261 10 0 EDAEHO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000123319493 222256024 /nfs/dbraw/zinc/25/60/24/222256024.db2.gz PVKJRIPKNBYAGX-DLBZAZTESA-N 1 3 335.492 1.998 10 0 EDAEHO Cn1cncc1C[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171627142 227182051 /nfs/dbraw/zinc/18/20/51/227182051.db2.gz DXXSSVVTZCWUEC-IBGZPJMESA-N 1 3 328.460 1.955 10 0 EDAEHO C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247120744 442836969 /nfs/dbraw/zinc/83/69/69/442836969.db2.gz NWZBLRPUXCIOKT-OAGGEKHMSA-N 1 3 326.485 1.079 10 0 EDAEHO C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000247120744 442836974 /nfs/dbraw/zinc/83/69/74/442836974.db2.gz NWZBLRPUXCIOKT-OAGGEKHMSA-N 1 3 326.485 1.079 10 0 EDAEHO C[C@H](NC[C@@H]1CN(C)CCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000665283544 453635125 /nfs/dbraw/zinc/63/51/25/453635125.db2.gz PMZOPSZLXWVEDV-YSIASYRMSA-N 1 3 330.520 1.780 10 0 EDAEHO COC[C@@H](O)C[N@H+](C)CC[C@@H](N)c1ccc(Br)cc1 ZINC000053972046 214207776 /nfs/dbraw/zinc/20/77/76/214207776.db2.gz BNKDQBFKZMGRAX-UONOGXRCSA-N 1 3 331.254 1.778 10 0 EDAEHO COC[C@@H](O)C[N@@H+](C)CC[C@@H](N)c1ccc(Br)cc1 ZINC000053972046 214207778 /nfs/dbraw/zinc/20/77/78/214207778.db2.gz BNKDQBFKZMGRAX-UONOGXRCSA-N 1 3 331.254 1.778 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000248087968 277165881 /nfs/dbraw/zinc/16/58/81/277165881.db2.gz SZCCNSNGTFTEJW-FGTMMUONSA-N 1 3 328.460 1.921 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000248087968 277165882 /nfs/dbraw/zinc/16/58/82/277165882.db2.gz SZCCNSNGTFTEJW-FGTMMUONSA-N 1 3 328.460 1.921 10 0 EDAEHO CC(C)N1CCN(CCC[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000192754714 442683234 /nfs/dbraw/zinc/68/32/34/442683234.db2.gz QXWDXTVWTBKLDE-OALUTQOASA-N 1 3 338.540 1.055 10 0 EDAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000192754714 442683237 /nfs/dbraw/zinc/68/32/37/442683237.db2.gz QXWDXTVWTBKLDE-OALUTQOASA-N 1 3 338.540 1.055 10 0 EDAEHO CCN(CCc1nc2ccc(OC)cc2[nH]1)C[C@]1(O)CCC[NH2+]C1 ZINC000072439532 216233864 /nfs/dbraw/zinc/23/38/64/216233864.db2.gz DNVXFWFKLJQBMP-SFHVURJKSA-N 1 3 332.448 1.550 10 0 EDAEHO C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@@H](CN(C)C)C2)([NH+](C)C)C1 ZINC000247063523 139133909 /nfs/dbraw/zinc/13/39/09/139133909.db2.gz KGKYDIXKEJSMSW-RYRKJORJSA-N 1 3 340.512 1.469 10 0 EDAEHO C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000117031861 221025334 /nfs/dbraw/zinc/02/53/34/221025334.db2.gz NWZBLRPUXCIOKT-OWCLPIDISA-N 1 3 326.485 1.079 10 0 EDAEHO C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000117031861 221025335 /nfs/dbraw/zinc/02/53/35/221025335.db2.gz NWZBLRPUXCIOKT-OWCLPIDISA-N 1 3 326.485 1.079 10 0 EDAEHO CC(C)[NH+]1CCC(NC(=O)NC[C@H](O)CN2CCCCC2)CC1 ZINC000049172740 287217681 /nfs/dbraw/zinc/21/76/81/287217681.db2.gz DCEVGRNQTFHIDI-INIZCTEOSA-N 1 3 326.485 1.005 10 0 EDAEHO CC(C)N(C)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415692 441655137 /nfs/dbraw/zinc/65/51/37/441655137.db2.gz NDGSQSOXPOSARL-UHFFFAOYSA-N 1 3 333.480 1.132 10 0 EDAEHO COCCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000386286661 447469900 /nfs/dbraw/zinc/46/99/00/447469900.db2.gz GEOLNANDJTYFPQ-MTQWCTHYSA-N 1 3 348.487 1.511 10 0 EDAEHO COCCOC[C@H](O)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000386286661 447469907 /nfs/dbraw/zinc/46/99/07/447469907.db2.gz GEOLNANDJTYFPQ-MTQWCTHYSA-N 1 3 348.487 1.511 10 0 EDAEHO COCCOC[C@H](O)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000386286661 447469912 /nfs/dbraw/zinc/46/99/12/447469912.db2.gz GEOLNANDJTYFPQ-MTQWCTHYSA-N 1 3 348.487 1.511 10 0 EDAEHO CCCCCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247029774 535061983 /nfs/dbraw/zinc/06/19/83/535061983.db2.gz DCDKXERBBODUGB-JKSUJKDBSA-N 1 3 327.513 1.706 10 0 EDAEHO CCC(CC)[C@H](CNC(=O)[C@@H](N)C1CCOCC1)[NH+]1CCCC1 ZINC000261693182 535144948 /nfs/dbraw/zinc/14/49/48/535144948.db2.gz BCFDENIZXMUQOB-IRXDYDNUSA-N 1 3 325.497 1.757 10 0 EDAEHO COCCn1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097457 591028288 /nfs/dbraw/zinc/02/82/88/591028288.db2.gz JFNQPYNKHKWNEE-BDXSIMOUSA-N 1 3 336.480 1.099 10 0 EDAEHO COCCn1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097457 591028292 /nfs/dbraw/zinc/02/82/92/591028292.db2.gz JFNQPYNKHKWNEE-BDXSIMOUSA-N 1 3 336.480 1.099 10 0 EDAEHO Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000862496354 596337123 /nfs/dbraw/zinc/33/71/23/596337123.db2.gz SWWVIQINBKQZBV-ZWKOTPCHSA-N 1 3 343.431 1.220 10 0 EDAEHO CC(C)CCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862483 441294502 /nfs/dbraw/zinc/29/45/02/441294502.db2.gz JMSZAMVGFGLMOU-CVEARBPZSA-N 1 3 327.513 1.562 10 0 EDAEHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000176612415 442239752 /nfs/dbraw/zinc/23/97/52/442239752.db2.gz RQMNOFXAZJWUPZ-MRXNPFEDSA-N 1 3 326.485 1.221 10 0 EDAEHO CN(C)CCOc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171900410 442388636 /nfs/dbraw/zinc/38/86/36/442388636.db2.gz YDFORPUXOJUVTL-QGZVFWFLSA-N 1 3 346.475 1.617 10 0 EDAEHO CN(C)CCOc1cccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171900410 442388639 /nfs/dbraw/zinc/38/86/39/442388639.db2.gz YDFORPUXOJUVTL-QGZVFWFLSA-N 1 3 346.475 1.617 10 0 EDAEHO C[NH+](C)CCOc1cccc(CNC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171900410 442388640 /nfs/dbraw/zinc/38/86/40/442388640.db2.gz YDFORPUXOJUVTL-QGZVFWFLSA-N 1 3 346.475 1.617 10 0 EDAEHO CC(C)(C(=O)NC[C@H]1CCCN1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000390723366 447496800 /nfs/dbraw/zinc/49/68/00/447496800.db2.gz PBMAZQWOQYBWKW-GOSISDBHSA-N 1 3 344.503 1.451 10 0 EDAEHO CCCN1CC2(C[C@H]1C(=O)NCCn1cccn1)CC[NH+](C)CC2 ZINC000072433530 283318060 /nfs/dbraw/zinc/31/80/60/283318060.db2.gz XZIDKONVKCKAFP-INIZCTEOSA-N 1 3 333.480 1.196 10 0 EDAEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247260961 139143011 /nfs/dbraw/zinc/14/30/11/139143011.db2.gz YMNVJNDLIFFFJC-OAGGEKHMSA-N 1 3 326.485 1.079 10 0 EDAEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247260961 139143012 /nfs/dbraw/zinc/14/30/12/139143012.db2.gz YMNVJNDLIFFFJC-OAGGEKHMSA-N 1 3 326.485 1.079 10 0 EDAEHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333663779 141352475 /nfs/dbraw/zinc/35/24/75/141352475.db2.gz MAFQJCBMIIBZEL-BFYDXBDKSA-N 1 3 338.496 1.127 10 0 EDAEHO CCC[C@H](C)NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247215202 276283567 /nfs/dbraw/zinc/28/35/67/276283567.db2.gz QAODQWTVGRLMQB-HRCADAONSA-N 1 3 327.513 1.704 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(=O)n3ccccc3n2)CC1 ZINC000105862361 441293557 /nfs/dbraw/zinc/29/35/57/441293557.db2.gz FAZJGZMKLYYYRC-HNNXBMFYSA-N 1 3 344.459 1.219 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000116792647 441847723 /nfs/dbraw/zinc/84/77/23/441847723.db2.gz PTCKYWYZEHDFFE-RTBURBONSA-N 1 3 345.487 1.688 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000116792647 441847729 /nfs/dbraw/zinc/84/77/29/441847729.db2.gz PTCKYWYZEHDFFE-RTBURBONSA-N 1 3 345.487 1.688 10 0 EDAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000247260973 442844553 /nfs/dbraw/zinc/84/45/53/442844553.db2.gz YMNVJNDLIFFFJC-OWCLPIDISA-N 1 3 326.485 1.079 10 0 EDAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000247260973 442844558 /nfs/dbraw/zinc/84/45/58/442844558.db2.gz YMNVJNDLIFFFJC-OWCLPIDISA-N 1 3 326.485 1.079 10 0 EDAEHO CC(C)[N@H+]1C[C@H](NC(=O)c2ccnc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000183230485 442908258 /nfs/dbraw/zinc/90/82/58/442908258.db2.gz ZPEPWBHMLPMYGV-HOCLYGCPSA-N 1 3 334.464 1.481 10 0 EDAEHO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccnc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000183230485 442908260 /nfs/dbraw/zinc/90/82/60/442908260.db2.gz ZPEPWBHMLPMYGV-HOCLYGCPSA-N 1 3 334.464 1.481 10 0 EDAEHO C[C@H](NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568499302 321294190 /nfs/dbraw/zinc/29/41/90/321294190.db2.gz FYJBEFJFNRFGQC-AZUAARDMSA-N 1 3 330.520 1.782 10 0 EDAEHO COCCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000386286667 447469611 /nfs/dbraw/zinc/46/96/11/447469611.db2.gz GEOLNANDJTYFPQ-ZGXWSNOMSA-N 1 3 348.487 1.511 10 0 EDAEHO COCCOC[C@H](O)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000386286667 447469614 /nfs/dbraw/zinc/46/96/14/447469614.db2.gz GEOLNANDJTYFPQ-ZGXWSNOMSA-N 1 3 348.487 1.511 10 0 EDAEHO COCCOC[C@H](O)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000386286667 447469618 /nfs/dbraw/zinc/46/96/18/447469618.db2.gz GEOLNANDJTYFPQ-ZGXWSNOMSA-N 1 3 348.487 1.511 10 0 EDAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638116916 451285348 /nfs/dbraw/zinc/28/53/48/451285348.db2.gz QNJSSBKXZQRRNT-NJAFHUGGSA-N 1 3 330.476 1.141 10 0 EDAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638116916 451285354 /nfs/dbraw/zinc/28/53/54/451285354.db2.gz QNJSSBKXZQRRNT-NJAFHUGGSA-N 1 3 330.476 1.141 10 0 EDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000247274847 535520889 /nfs/dbraw/zinc/52/08/89/535520889.db2.gz RQQZNLLLPNASGQ-BBWFWOEESA-N 1 3 340.512 1.469 10 0 EDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000247274847 535520891 /nfs/dbraw/zinc/52/08/91/535520891.db2.gz RQQZNLLLPNASGQ-BBWFWOEESA-N 1 3 340.512 1.469 10 0 EDAEHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262706563 139297741 /nfs/dbraw/zinc/29/77/41/139297741.db2.gz MNGVYBWAOONMIH-DOTOQJQBSA-N 1 3 327.513 1.957 10 0 EDAEHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000262706563 139297742 /nfs/dbraw/zinc/29/77/42/139297742.db2.gz MNGVYBWAOONMIH-DOTOQJQBSA-N 1 3 327.513 1.957 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000117031776 221025178 /nfs/dbraw/zinc/02/51/78/221025178.db2.gz OFYRHLMEFHBXER-DLBZAZTESA-N 1 3 340.512 1.469 10 0 EDAEHO Cc1cnn(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000118068055 221111886 /nfs/dbraw/zinc/11/18/86/221111886.db2.gz RFHSVORGFMYHJR-UHFFFAOYSA-N 1 3 348.495 1.049 10 0 EDAEHO N[C@H](Cc1ccc(Br)cn1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000167904069 226202808 /nfs/dbraw/zinc/20/28/08/226202808.db2.gz JKJMXFWFCOPNNN-MCIONIFRSA-N 1 3 326.238 1.577 10 0 EDAEHO N[C@H](Cc1ccc(Br)cn1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000167904069 226202810 /nfs/dbraw/zinc/20/28/10/226202810.db2.gz JKJMXFWFCOPNNN-MCIONIFRSA-N 1 3 326.238 1.577 10 0 EDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000105862032 441292867 /nfs/dbraw/zinc/29/28/67/441292867.db2.gz YWLQJCMOUMGRHG-SJORKVTESA-N 1 3 347.503 1.716 10 0 EDAEHO CN(C)CCOc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171900411 442389006 /nfs/dbraw/zinc/38/90/06/442389006.db2.gz YDFORPUXOJUVTL-KRWDZBQOSA-N 1 3 346.475 1.617 10 0 EDAEHO CN(C)CCOc1cccc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000171900411 442389010 /nfs/dbraw/zinc/38/90/10/442389010.db2.gz YDFORPUXOJUVTL-KRWDZBQOSA-N 1 3 346.475 1.617 10 0 EDAEHO C[NH+](C)CCOc1cccc(CNC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000171900411 442389013 /nfs/dbraw/zinc/38/90/13/442389013.db2.gz YDFORPUXOJUVTL-KRWDZBQOSA-N 1 3 346.475 1.617 10 0 EDAEHO Cc1nccn1C[C@@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000178287946 442421483 /nfs/dbraw/zinc/42/14/83/442421483.db2.gz WNCAQDUSOSFDFO-SFHVURJKSA-N 1 3 347.507 1.645 10 0 EDAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247174695 442839201 /nfs/dbraw/zinc/83/92/01/442839201.db2.gz RKUXHCZGHAOCIX-YVSFHVDLSA-N 1 3 340.512 1.325 10 0 EDAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247174695 442839204 /nfs/dbraw/zinc/83/92/04/442839204.db2.gz RKUXHCZGHAOCIX-YVSFHVDLSA-N 1 3 340.512 1.325 10 0 EDAEHO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000182896895 442843777 /nfs/dbraw/zinc/84/37/77/442843777.db2.gz ZJGMHRCOOBORDE-ROUUACIJSA-N 1 3 346.475 1.099 10 0 EDAEHO CC(C)[N@@H+]1C[C@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)[C@@H](C)C1 ZINC000248718969 442920719 /nfs/dbraw/zinc/92/07/19/442920719.db2.gz OEFKQGUYPPKSIQ-BBWFWOEESA-N 1 3 339.528 1.040 10 0 EDAEHO CC(C)[N@H+]1C[C@H](NC(=O)N[C@H](C)CCN2CCN(C)CC2)[C@@H](C)C1 ZINC000248718969 442920725 /nfs/dbraw/zinc/92/07/25/442920725.db2.gz OEFKQGUYPPKSIQ-BBWFWOEESA-N 1 3 339.528 1.040 10 0 EDAEHO CCOC(=O)C1CCC(O)(CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000190907768 443207453 /nfs/dbraw/zinc/20/74/53/443207453.db2.gz JMTBBRDFJCIZRV-MUYFXNHWSA-N 1 3 338.492 1.889 10 0 EDAEHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000190907768 443207456 /nfs/dbraw/zinc/20/74/56/443207456.db2.gz JMTBBRDFJCIZRV-MUYFXNHWSA-N 1 3 338.492 1.889 10 0 EDAEHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000190907768 443207460 /nfs/dbraw/zinc/20/74/60/443207460.db2.gz JMTBBRDFJCIZRV-MUYFXNHWSA-N 1 3 338.492 1.889 10 0 EDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCCN1CCOC ZINC000245418715 535586642 /nfs/dbraw/zinc/58/66/42/535586642.db2.gz LDWHOJNSFOZCTP-CVEARBPZSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCCN1CCOC ZINC000245418715 535586648 /nfs/dbraw/zinc/58/66/48/535586648.db2.gz LDWHOJNSFOZCTP-CVEARBPZSA-N 1 3 326.485 1.223 10 0 EDAEHO Cc1noc(CN2CCCC[C@H]([NH2+]CC3CCN(C)CC3)C2=O)n1 ZINC000895035533 591531295 /nfs/dbraw/zinc/53/12/95/591531295.db2.gz MXVVAZQWLORQRD-HNNXBMFYSA-N 1 3 335.452 1.191 10 0 EDAEHO COc1cc(CNC(=O)[C@H](C)C2C[NH2+]C2)ccc1OCCN(C)C ZINC000262323712 139270091 /nfs/dbraw/zinc/27/00/91/139270091.db2.gz FRUYLCKSEJJOBJ-CYBMUJFWSA-N 1 3 335.448 1.107 10 0 EDAEHO C[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)N1CCOCC1 ZINC000123231148 222239383 /nfs/dbraw/zinc/23/93/83/222239383.db2.gz NLRFQTZGRVYWFR-IAGOWNOFSA-N 1 3 335.492 1.998 10 0 EDAEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000105275128 441246340 /nfs/dbraw/zinc/24/63/40/441246340.db2.gz ODFCRJWTKPASSV-SJORKVTESA-N 1 3 340.512 1.253 10 0 EDAEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000105275128 441246341 /nfs/dbraw/zinc/24/63/41/441246341.db2.gz ODFCRJWTKPASSV-SJORKVTESA-N 1 3 340.512 1.253 10 0 EDAEHO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CNCCN1CC[NH3+] ZINC000616635679 450456516 /nfs/dbraw/zinc/45/65/16/450456516.db2.gz KAPZTGVTEWKCLX-INIZCTEOSA-N 1 3 334.464 1.963 10 0 EDAEHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000333084230 535158525 /nfs/dbraw/zinc/15/85/25/535158525.db2.gz BFXPEUMHUMAREO-QZTJIDSGSA-N 1 3 347.507 1.945 10 0 EDAEHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170835244 282111160 /nfs/dbraw/zinc/11/11/60/282111160.db2.gz AQEWEJSNHIUUSI-INIZCTEOSA-N 1 3 334.464 1.473 10 0 EDAEHO CN(C)[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000262223355 139261440 /nfs/dbraw/zinc/26/14/40/139261440.db2.gz JPPBKYQWAPRQLO-SQNIBIBYSA-N 1 3 341.459 1.142 10 0 EDAEHO C[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000117039933 221026456 /nfs/dbraw/zinc/02/64/56/221026456.db2.gz GABNUEPGBHRLDJ-HZPDHXFCSA-N 1 3 326.485 1.079 10 0 EDAEHO [NH3+]C[C@H](c1cncc(Br)c1)N1CCN(CC2CC2)CC1 ZINC000166113743 226148654 /nfs/dbraw/zinc/14/86/54/226148654.db2.gz WNUDABPWWQRLCU-OAHLLOKOSA-N 1 3 339.281 1.872 10 0 EDAEHO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000123230937 222238869 /nfs/dbraw/zinc/23/88/69/222238869.db2.gz NLRFQTZGRVYWFR-DLBZAZTESA-N 1 3 335.492 1.998 10 0 EDAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN(C)CCCOC ZINC000245590036 281197593 /nfs/dbraw/zinc/19/75/93/281197593.db2.gz AXPGASWNCVMJBD-HOTGVXAUSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN(C)CCCOC ZINC000245590036 281197595 /nfs/dbraw/zinc/19/75/95/281197595.db2.gz AXPGASWNCVMJBD-HOTGVXAUSA-N 1 3 326.485 1.223 10 0 EDAEHO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(OCCN(C)C)c1 ZINC000180593951 442629995 /nfs/dbraw/zinc/62/99/95/442629995.db2.gz GNEMTAXOJWFRGC-ZBFHGGJFSA-N 1 3 329.448 1.884 10 0 EDAEHO C[C@@H](N[C@H]1CCc2ncnn2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000180593951 442630000 /nfs/dbraw/zinc/63/00/00/442630000.db2.gz GNEMTAXOJWFRGC-ZBFHGGJFSA-N 1 3 329.448 1.884 10 0 EDAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000247174675 442838786 /nfs/dbraw/zinc/83/87/86/442838786.db2.gz RKUXHCZGHAOCIX-VVLHAWIVSA-N 1 3 340.512 1.325 10 0 EDAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000247174675 442838789 /nfs/dbraw/zinc/83/87/89/442838789.db2.gz RKUXHCZGHAOCIX-VVLHAWIVSA-N 1 3 340.512 1.325 10 0 EDAEHO CCC[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N(C)C ZINC000248440052 442892326 /nfs/dbraw/zinc/89/23/26/442892326.db2.gz JDHQBSFGZQRDRO-QZTJIDSGSA-N 1 3 333.476 1.600 10 0 EDAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCN1CCOC ZINC000246113261 443269357 /nfs/dbraw/zinc/26/93/57/443269357.db2.gz HWKNLBULBBOQEO-BRWVUGGUSA-N 1 3 338.496 1.365 10 0 EDAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCN1CCOC ZINC000246113261 443269360 /nfs/dbraw/zinc/26/93/60/443269360.db2.gz HWKNLBULBBOQEO-BRWVUGGUSA-N 1 3 338.496 1.365 10 0 EDAEHO O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000638852229 451711531 /nfs/dbraw/zinc/71/15/31/451711531.db2.gz VWGKZQWJGIFFIR-RTBURBONSA-N 1 3 345.487 1.783 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000246678983 139117374 /nfs/dbraw/zinc/11/73/74/139117374.db2.gz DCFWAMHABMYZDK-NCOADZHNSA-N 1 3 339.524 1.799 10 0 EDAEHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247051613 139133246 /nfs/dbraw/zinc/13/32/46/139133246.db2.gz JPPVLUZHOMUCGJ-SJORKVTESA-N 1 3 340.512 1.471 10 0 EDAEHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247051613 139133247 /nfs/dbraw/zinc/13/32/47/139133247.db2.gz JPPVLUZHOMUCGJ-SJORKVTESA-N 1 3 340.512 1.471 10 0 EDAEHO COCCN1CCC(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247456621 139149166 /nfs/dbraw/zinc/14/91/66/139149166.db2.gz TZMVVVMBUWHRFT-GOEBONIOSA-N 1 3 326.485 1.125 10 0 EDAEHO COCCN1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247456621 139149167 /nfs/dbraw/zinc/14/91/67/139149167.db2.gz TZMVVVMBUWHRFT-GOEBONIOSA-N 1 3 326.485 1.125 10 0 EDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000247274874 286060534 /nfs/dbraw/zinc/06/05/34/286060534.db2.gz RQQZNLLLPNASGQ-ZACQAIPSSA-N 1 3 340.512 1.469 10 0 EDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000247274874 286060536 /nfs/dbraw/zinc/06/05/36/286060536.db2.gz RQQZNLLLPNASGQ-ZACQAIPSSA-N 1 3 340.512 1.469 10 0 EDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)[C@@H](C)C1 ZINC000247274857 286060689 /nfs/dbraw/zinc/06/06/89/286060689.db2.gz RQQZNLLLPNASGQ-ULQDDVLXSA-N 1 3 340.512 1.469 10 0 EDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)[C@@H](C)C1 ZINC000247274857 286060692 /nfs/dbraw/zinc/06/06/92/286060692.db2.gz RQQZNLLLPNASGQ-ULQDDVLXSA-N 1 3 340.512 1.469 10 0 EDAEHO CCN1CCCC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176437270 279275548 /nfs/dbraw/zinc/27/55/48/279275548.db2.gz LVCRMFFFJMDREU-WBVHZDCISA-N 1 3 325.497 1.412 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000185176547 289198070 /nfs/dbraw/zinc/19/80/70/289198070.db2.gz QXAVDNSSTVZWEN-OAHLLOKOSA-N 1 3 326.485 1.080 10 0 EDAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCN1CCOC ZINC000174823869 441972723 /nfs/dbraw/zinc/97/27/23/441972723.db2.gz HWKNLBULBBOQEO-IXDOHACOSA-N 1 3 338.496 1.365 10 0 EDAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCN1CCOC ZINC000174823869 441972727 /nfs/dbraw/zinc/97/27/27/441972727.db2.gz HWKNLBULBBOQEO-IXDOHACOSA-N 1 3 338.496 1.365 10 0 EDAEHO CCN1CCC[C@@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000171200656 442326860 /nfs/dbraw/zinc/32/68/60/442326860.db2.gz MAWHNNNGNHTSIL-MRXNPFEDSA-N 1 3 326.485 1.271 10 0 EDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000179754802 442497423 /nfs/dbraw/zinc/49/74/23/442497423.db2.gz SURFUCXGADIEPD-QGZVFWFLSA-N 1 3 331.464 1.644 10 0 EDAEHO C[C@H](CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)N(C)C1CC1 ZINC000181710527 442711720 /nfs/dbraw/zinc/71/17/20/442711720.db2.gz ZDPNYQBGBSZVRO-CABCVRRESA-N 1 3 340.512 1.203 10 0 EDAEHO COC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000659288637 453704378 /nfs/dbraw/zinc/70/43/78/453704378.db2.gz MJIHEJRNBSJFPT-KPFFTGBYSA-N 1 3 345.487 1.782 10 0 EDAEHO CCC(CC)[C@@H](CNC(=O)[C@H](N)C1CCOCC1)[NH+]1CCCC1 ZINC000261693178 535109050 /nfs/dbraw/zinc/10/90/50/535109050.db2.gz BCFDENIZXMUQOB-IAGOWNOFSA-N 1 3 325.497 1.757 10 0 EDAEHO C[N@@H+]1CC[C@]2(C1)CCCN(C1CCN(C(=O)c3cnccn3)CC1)C2 ZINC000067726833 215196077 /nfs/dbraw/zinc/19/60/77/215196077.db2.gz JMRBTNFTAWZAPY-IBGZPJMESA-N 1 3 343.475 1.499 10 0 EDAEHO C[N@H+]1CC[C@]2(C1)CCCN(C1CCN(C(=O)c3cnccn3)CC1)C2 ZINC000067726833 215196078 /nfs/dbraw/zinc/19/60/78/215196078.db2.gz JMRBTNFTAWZAPY-IBGZPJMESA-N 1 3 343.475 1.499 10 0 EDAEHO CN(C)CCN1C[C@@]2(CCC[N@H+](CCc3ccccn3)C2)CCC1=O ZINC000072426874 216217997 /nfs/dbraw/zinc/21/79/97/216217997.db2.gz QDQFYPBQXNNVBH-FQEVSTJZSA-N 1 3 344.503 1.890 10 0 EDAEHO CN(C)CCN1C[C@@]2(CCC[N@@H+](CCc3ccccn3)C2)CCC1=O ZINC000072426874 216217998 /nfs/dbraw/zinc/21/79/98/216217998.db2.gz QDQFYPBQXNNVBH-FQEVSTJZSA-N 1 3 344.503 1.890 10 0 EDAEHO CC1(C)CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000261703872 139219055 /nfs/dbraw/zinc/21/90/55/139219055.db2.gz BOMPCJKNFOUSPE-SFHVURJKSA-N 1 3 344.503 1.785 10 0 EDAEHO CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262028077 139244902 /nfs/dbraw/zinc/24/49/02/139244902.db2.gz PEJAOGQWIDRQSM-KSZLIROESA-N 1 3 331.460 1.616 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000117031773 221024900 /nfs/dbraw/zinc/02/49/00/221024900.db2.gz OFYRHLMEFHBXER-IAGOWNOFSA-N 1 3 340.512 1.469 10 0 EDAEHO CN(C)C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000117036926 221025375 /nfs/dbraw/zinc/02/53/75/221025375.db2.gz ABLNYIURJLNZRG-ROUUACIJSA-N 1 3 348.491 1.131 10 0 EDAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000248408546 288317331 /nfs/dbraw/zinc/31/73/31/288317331.db2.gz VPOHXMPKUXQJIQ-IRXDYDNUSA-N 1 3 346.475 1.721 10 0 EDAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000248408546 288317332 /nfs/dbraw/zinc/31/73/32/288317332.db2.gz VPOHXMPKUXQJIQ-IRXDYDNUSA-N 1 3 346.475 1.721 10 0 EDAEHO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCCN(C3CCCC3)CC2)cn1 ZINC000262243703 294300724 /nfs/dbraw/zinc/30/07/24/294300724.db2.gz LCDSQSYKSGVFEF-MSOLQXFVSA-N 1 3 345.491 1.200 10 0 EDAEHO CCCNC(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862804 441294539 /nfs/dbraw/zinc/29/45/39/441294539.db2.gz OCOFEVSSPNSMLI-IBGZPJMESA-N 1 3 347.503 1.890 10 0 EDAEHO CCN(CCNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)C1CC1 ZINC000185035635 443123091 /nfs/dbraw/zinc/12/30/91/443123091.db2.gz HOUPESJTXYWOTG-OAHLLOKOSA-N 1 3 340.512 1.205 10 0 EDAEHO COCCNCC(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000237138233 536893657 /nfs/dbraw/zinc/89/36/57/536893657.db2.gz UEHIKOGQIYBMMO-IAGOWNOFSA-N 1 3 347.503 1.837 10 0 EDAEHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C12CCOCC2 ZINC000186243035 286539717 /nfs/dbraw/zinc/53/97/17/286539717.db2.gz XOKKCGBMMYCDKI-ROUUACIJSA-N 1 3 339.524 1.578 10 0 EDAEHO C[NH+](C)[C@@H]1CCCN([C@@H](CN)c2cncc(Br)c2)C1 ZINC000166157293 226150332 /nfs/dbraw/zinc/15/03/32/226150332.db2.gz YSTRYGMEXREILT-KGLIPLIRSA-N 1 3 327.270 1.870 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000179481023 289199247 /nfs/dbraw/zinc/19/92/47/289199247.db2.gz MOCUPGCSFMCPIG-SQNIBIBYSA-N 1 3 346.475 1.404 10 0 EDAEHO COC[C@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000126665974 442132020 /nfs/dbraw/zinc/13/20/20/442132020.db2.gz BVIKIGUQJQMVQC-MOPGFXCFSA-N 1 3 336.476 1.371 10 0 EDAEHO COC[C@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000126665974 442132023 /nfs/dbraw/zinc/13/20/23/442132023.db2.gz BVIKIGUQJQMVQC-MOPGFXCFSA-N 1 3 336.476 1.371 10 0 EDAEHO CCC[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N(C)C ZINC000128357417 442261224 /nfs/dbraw/zinc/26/12/24/442261224.db2.gz CTBLGYVWKPTFIF-FGTMMUONSA-N 1 3 338.540 1.734 10 0 EDAEHO CCC[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N(C)C ZINC000128357417 442261227 /nfs/dbraw/zinc/26/12/27/442261227.db2.gz CTBLGYVWKPTFIF-FGTMMUONSA-N 1 3 338.540 1.734 10 0 EDAEHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C12CCOCC2 ZINC000186243064 442495665 /nfs/dbraw/zinc/49/56/65/442495665.db2.gz XOKKCGBMMYCDKI-ZWKOTPCHSA-N 1 3 339.524 1.578 10 0 EDAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000245671235 443243178 /nfs/dbraw/zinc/24/31/78/443243178.db2.gz FJZCHPPARVOMQQ-ZACQAIPSSA-N 1 3 340.512 1.611 10 0 EDAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000245671235 443243180 /nfs/dbraw/zinc/24/31/80/443243180.db2.gz FJZCHPPARVOMQQ-ZACQAIPSSA-N 1 3 340.512 1.611 10 0 EDAEHO CC(C)(C)OC[C@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959660 526556546 /nfs/dbraw/zinc/55/65/46/526556546.db2.gz BJVXXCJGHVNADH-MRXNPFEDSA-N 1 3 328.497 1.739 10 0 EDAEHO CN([C@H](C[NH3+])c1cncc(Br)c1)C1CCN(C)CC1 ZINC000166089069 530033786 /nfs/dbraw/zinc/03/37/86/530033786.db2.gz XUNSRWXISDDUTC-CQSZACIVSA-N 1 3 327.270 1.870 10 0 EDAEHO CC[C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N(C)C ZINC000165669203 442210132 /nfs/dbraw/zinc/21/01/32/442210132.db2.gz PXYUYMWFHPMNTJ-RBUKOAKNSA-N 1 3 347.503 1.888 10 0 EDAEHO C[NH+](C)[C@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000170829685 442271212 /nfs/dbraw/zinc/27/12/12/442271212.db2.gz OVLLCZSRVPEKJU-SFHVURJKSA-N 1 3 330.476 1.780 10 0 EDAEHO C[C@H](C(=O)N(C)C)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247218637 442842322 /nfs/dbraw/zinc/84/23/22/442842322.db2.gz QJUDXYSRWUCNNU-VQIMIIECSA-N 1 3 347.503 1.841 10 0 EDAEHO CCN1CCC[C@H](NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000248455995 442894269 /nfs/dbraw/zinc/89/42/69/442894269.db2.gz MZMFRHBMNCKSSU-RDJZCZTQSA-N 1 3 340.512 1.205 10 0 EDAEHO COCCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000386286663 447468912 /nfs/dbraw/zinc/46/89/12/447468912.db2.gz GEOLNANDJTYFPQ-UAFMIMERSA-N 1 3 348.487 1.511 10 0 EDAEHO COCCOC[C@H](O)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000386286663 447468919 /nfs/dbraw/zinc/46/89/19/447468919.db2.gz GEOLNANDJTYFPQ-UAFMIMERSA-N 1 3 348.487 1.511 10 0 EDAEHO COCCOC[C@H](O)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000386286663 447468925 /nfs/dbraw/zinc/46/89/25/447468925.db2.gz GEOLNANDJTYFPQ-UAFMIMERSA-N 1 3 348.487 1.511 10 0 EDAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN(C)CCCOC ZINC000245590030 139080202 /nfs/dbraw/zinc/08/02/02/139080202.db2.gz AXPGASWNCVMJBD-CVEARBPZSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN(C)CCCOC ZINC000245590030 139080203 /nfs/dbraw/zinc/08/02/03/139080203.db2.gz AXPGASWNCVMJBD-CVEARBPZSA-N 1 3 326.485 1.223 10 0 EDAEHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)CN1CCCCC1 ZINC000247250713 139142562 /nfs/dbraw/zinc/14/25/62/139142562.db2.gz ZRAGVJNFGKJDSM-YZGWKJHDSA-N 1 3 346.519 1.728 10 0 EDAEHO CN[C@H](Cc1ccc(Br)cn1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000167905179 533010918 /nfs/dbraw/zinc/01/09/18/533010918.db2.gz WQZMGWMZAGHPSJ-RBSFLKMASA-N 1 3 340.265 1.838 10 0 EDAEHO CN[C@H](Cc1ccc(Br)cn1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000167905179 533010922 /nfs/dbraw/zinc/01/09/22/533010922.db2.gz WQZMGWMZAGHPSJ-RBSFLKMASA-N 1 3 340.265 1.838 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000176879865 442266613 /nfs/dbraw/zinc/26/66/13/442266613.db2.gz RIYDEGWZSNPOHF-IRXDYDNUSA-N 1 3 339.524 1.802 10 0 EDAEHO CC(C)NC(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862793 204173481 /nfs/dbraw/zinc/17/34/81/204173481.db2.gz DYJAHZGUPGNONV-LJQANCHMSA-N 1 3 347.503 1.888 10 0 EDAEHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000130689758 277391000 /nfs/dbraw/zinc/39/10/00/277391000.db2.gz PLQJXQVZCPZXOT-DLBZAZTESA-N 1 3 340.512 1.326 10 0 EDAEHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000130689758 277391001 /nfs/dbraw/zinc/39/10/01/277391001.db2.gz PLQJXQVZCPZXOT-DLBZAZTESA-N 1 3 340.512 1.326 10 0 EDAEHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)COCc1ccccc1 ZINC000119311775 441928230 /nfs/dbraw/zinc/92/82/30/441928230.db2.gz ACSKJLIZISZJIO-FQEVSTJZSA-N 1 3 349.519 1.522 10 0 EDAEHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)COCc1ccccc1 ZINC000119311775 441928238 /nfs/dbraw/zinc/92/82/38/441928238.db2.gz ACSKJLIZISZJIO-FQEVSTJZSA-N 1 3 349.519 1.522 10 0 EDAEHO CN(C)CCOc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000179658636 442485769 /nfs/dbraw/zinc/48/57/69/442485769.db2.gz OIEKJEKLFUGSLR-MRXNPFEDSA-N 1 3 347.463 1.012 10 0 EDAEHO CN(C)CCOc1cc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000179658636 442485773 /nfs/dbraw/zinc/48/57/73/442485773.db2.gz OIEKJEKLFUGSLR-MRXNPFEDSA-N 1 3 347.463 1.012 10 0 EDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000183245977 442909891 /nfs/dbraw/zinc/90/98/91/442909891.db2.gz YEOICHIEYOTCAH-QGZVFWFLSA-N 1 3 348.491 1.872 10 0 EDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000183245977 442909892 /nfs/dbraw/zinc/90/98/92/442909892.db2.gz YEOICHIEYOTCAH-QGZVFWFLSA-N 1 3 348.491 1.872 10 0 EDAEHO CN(C)[C@H]1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638275282 451393164 /nfs/dbraw/zinc/39/31/64/451393164.db2.gz LSERIEMTNWKBAS-SFHVURJKSA-N 1 3 344.503 1.533 10 0 EDAEHO CCN(CC)CCN1C(N)=[NH+]C[C@@H]1c1cncc(Br)c1 ZINC000166765674 528126140 /nfs/dbraw/zinc/12/61/40/528126140.db2.gz BLYGFJKIEABNIE-CYBMUJFWSA-N 1 3 340.269 1.857 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000176014368 282123394 /nfs/dbraw/zinc/12/33/94/282123394.db2.gz YUDWHRCNOYTZMO-QGZVFWFLSA-N 1 3 338.496 1.365 10 0 EDAEHO COc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cc(=O)[n-]2)cc1 ZINC000073696081 202372175 /nfs/dbraw/zinc/37/21/75/202372175.db2.gz SSVTWCUPAUAQEJ-UHFFFAOYSA-N 1 3 328.416 1.616 10 0 EDAEHO CC1CC[NH+](CCCNC(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000117027481 201076336 /nfs/dbraw/zinc/07/63/36/201076336.db2.gz GCZGLYHSMKKMMK-INIZCTEOSA-N 1 3 326.485 1.080 10 0 EDAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245830246 139087081 /nfs/dbraw/zinc/08/70/81/139087081.db2.gz BPVREKHPIZRMCG-AEFFLSMTSA-N 1 3 330.476 1.997 10 0 EDAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245830246 139087082 /nfs/dbraw/zinc/08/70/82/139087082.db2.gz BPVREKHPIZRMCG-AEFFLSMTSA-N 1 3 330.476 1.997 10 0 EDAEHO C[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000121128233 287368240 /nfs/dbraw/zinc/36/82/40/287368240.db2.gz GRNVEFADGDIFLT-HUUCEWRRSA-N 1 3 328.501 1.109 10 0 EDAEHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179743777 442496475 /nfs/dbraw/zinc/49/64/75/442496475.db2.gz AQPPSUFTFCDJSG-SFHVURJKSA-N 1 3 343.475 1.788 10 0 EDAEHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179743777 442496480 /nfs/dbraw/zinc/49/64/80/442496480.db2.gz AQPPSUFTFCDJSG-SFHVURJKSA-N 1 3 343.475 1.788 10 0 EDAEHO C[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000194476669 442904418 /nfs/dbraw/zinc/90/44/18/442904418.db2.gz QDWUNEVIUKVZPD-IRXDYDNUSA-N 1 3 340.512 1.253 10 0 EDAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644154007 453088172 /nfs/dbraw/zinc/08/81/72/453088172.db2.gz LSCUFMCGJLXMKY-HIFRSBDPSA-N 1 3 325.403 1.868 10 0 EDAEHO CN(C)Cc1cccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000262220275 536033807 /nfs/dbraw/zinc/03/38/07/536033807.db2.gz JKPYHEAKDPLQKD-MSOLQXFVSA-N 1 3 341.459 1.101 10 0 EDAEHO CCCN1CC2(C[C@@H]1C(=O)N(C)CCn1cccn1)CC[NH+](C)CC2 ZINC000072428086 203223419 /nfs/dbraw/zinc/22/34/19/203223419.db2.gz SXXWHVLUKWJIBZ-QGZVFWFLSA-N 1 3 347.507 1.538 10 0 EDAEHO CCC[C@H](N)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236862548 139033632 /nfs/dbraw/zinc/03/36/32/139033632.db2.gz BZSWTYJWQFGRMI-SFHVURJKSA-N 1 3 333.476 1.947 10 0 EDAEHO CCC[C@H](C)NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862494 441294073 /nfs/dbraw/zinc/29/40/73/441294073.db2.gz QAODQWTVGRLMQB-XHSDSOJGSA-N 1 3 327.513 1.704 10 0 EDAEHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000176612401 442239968 /nfs/dbraw/zinc/23/99/68/442239968.db2.gz RQMNOFXAZJWUPZ-INIZCTEOSA-N 1 3 326.485 1.221 10 0 EDAEHO CC(C)OCCN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000176625369 442241094 /nfs/dbraw/zinc/24/10/94/442241094.db2.gz CYVSRKOPGYJGEG-KRWDZBQOSA-N 1 3 338.496 1.365 10 0 EDAEHO CC(C)OCCN1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000176625369 442241098 /nfs/dbraw/zinc/24/10/98/442241098.db2.gz CYVSRKOPGYJGEG-KRWDZBQOSA-N 1 3 338.496 1.365 10 0 EDAEHO CN(C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194421584 442893644 /nfs/dbraw/zinc/89/36/44/442893644.db2.gz ICNBRSNYWAIKAO-ROUUACIJSA-N 1 3 330.476 1.854 10 0 EDAEHO CN(C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000194421584 442893649 /nfs/dbraw/zinc/89/36/49/442893649.db2.gz ICNBRSNYWAIKAO-ROUUACIJSA-N 1 3 330.476 1.854 10 0 EDAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000183225059 442907508 /nfs/dbraw/zinc/90/75/08/442907508.db2.gz VPOHXMPKUXQJIQ-DLBZAZTESA-N 1 3 346.475 1.721 10 0 EDAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000183225059 442907515 /nfs/dbraw/zinc/90/75/15/442907515.db2.gz VPOHXMPKUXQJIQ-DLBZAZTESA-N 1 3 346.475 1.721 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000248043981 535946647 /nfs/dbraw/zinc/94/66/47/535946647.db2.gz MOCUPGCSFMCPIG-FGTMMUONSA-N 1 3 346.475 1.404 10 0 EDAEHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(N(C)C)nc1)C2 ZINC000888097291 591028373 /nfs/dbraw/zinc/02/83/73/591028373.db2.gz GWFPDTKBILNXPW-PSBWJHGTSA-N 1 3 332.492 1.717 10 0 EDAEHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(N(C)C)nc1)C2 ZINC000888097291 591028376 /nfs/dbraw/zinc/02/83/76/591028376.db2.gz GWFPDTKBILNXPW-PSBWJHGTSA-N 1 3 332.492 1.717 10 0 EDAEHO CCCN1CC2(C[C@@H]1C(=O)NCCn1cccn1)CC[NH+](C)CC2 ZINC000072433529 216228111 /nfs/dbraw/zinc/22/81/11/216228111.db2.gz XZIDKONVKCKAFP-MRXNPFEDSA-N 1 3 333.480 1.196 10 0 EDAEHO COc1cc2c(c(OC)c1OC)CN(C1CCN(C)CC1)[C@H]2C[NH3+] ZINC000071684678 203103831 /nfs/dbraw/zinc/10/38/31/203103831.db2.gz FFYODMBLSJFPAD-HNNXBMFYSA-N 1 3 335.448 1.622 10 0 EDAEHO CC1(C)CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000261626864 139212482 /nfs/dbraw/zinc/21/24/82/139212482.db2.gz DYJWEPADEOYOGH-MRXNPFEDSA-N 1 3 345.491 1.180 10 0 EDAEHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C12CCOCC2 ZINC000186322575 286280742 /nfs/dbraw/zinc/28/07/42/286280742.db2.gz CCSHJVIXZDDOJU-QZTJIDSGSA-N 1 3 339.524 1.578 10 0 EDAEHO CN(C)[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000192797054 272986510 /nfs/dbraw/zinc/98/65/10/272986510.db2.gz WEIAACIWXUKWMO-QZTJIDSGSA-N 1 3 348.491 1.435 10 0 EDAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CCOC)CC1 ZINC000246333331 288315709 /nfs/dbraw/zinc/31/57/09/288315709.db2.gz ONEAETRCTVIGDD-IRXDYDNUSA-N 1 3 338.496 1.365 10 0 EDAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CCOC)CC1 ZINC000246333331 288315712 /nfs/dbraw/zinc/31/57/12/288315712.db2.gz ONEAETRCTVIGDD-IRXDYDNUSA-N 1 3 338.496 1.365 10 0 EDAEHO CN(C)CCOc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171900401 442388934 /nfs/dbraw/zinc/38/89/34/442388934.db2.gz KWOWIDBRBFZYFK-KRWDZBQOSA-N 1 3 346.475 1.617 10 0 EDAEHO CN(C)CCOc1ccc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000171900401 442388938 /nfs/dbraw/zinc/38/89/38/442388938.db2.gz KWOWIDBRBFZYFK-KRWDZBQOSA-N 1 3 346.475 1.617 10 0 EDAEHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171900401 442388942 /nfs/dbraw/zinc/38/89/42/442388942.db2.gz KWOWIDBRBFZYFK-KRWDZBQOSA-N 1 3 346.475 1.617 10 0 EDAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000177551889 442356869 /nfs/dbraw/zinc/35/68/69/442356869.db2.gz CAPOJEXENLKGSM-LSDHHAIUSA-N 1 3 334.468 1.535 10 0 EDAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000177551889 442356870 /nfs/dbraw/zinc/35/68/70/442356870.db2.gz CAPOJEXENLKGSM-LSDHHAIUSA-N 1 3 334.468 1.535 10 0 EDAEHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247174654 442839132 /nfs/dbraw/zinc/83/91/32/442839132.db2.gz RKUXHCZGHAOCIX-TWMKSMIVSA-N 1 3 340.512 1.325 10 0 EDAEHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247174654 442839134 /nfs/dbraw/zinc/83/91/34/442839134.db2.gz RKUXHCZGHAOCIX-TWMKSMIVSA-N 1 3 340.512 1.325 10 0 EDAEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000249782207 443004851 /nfs/dbraw/zinc/00/48/51/443004851.db2.gz QCJPDIIRBWOLKJ-BRWVUGGUSA-N 1 3 340.512 1.253 10 0 EDAEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000249782207 443004854 /nfs/dbraw/zinc/00/48/54/443004854.db2.gz QCJPDIIRBWOLKJ-BRWVUGGUSA-N 1 3 340.512 1.253 10 0 EDAEHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)c2)CC1 ZINC000184892096 443093565 /nfs/dbraw/zinc/09/35/65/443093565.db2.gz ABDYZAZOJUQDQZ-SFHVURJKSA-N 1 3 345.491 1.996 10 0 EDAEHO CN1CCC(Oc2cccc3c2CN(CC(C)(C)CO)[C@H]3C[NH3+])CC1 ZINC000071684992 203103635 /nfs/dbraw/zinc/10/36/35/203103635.db2.gz DWFHMQXEQVCITC-SFHVURJKSA-N 1 3 347.503 1.994 10 0 EDAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000248866448 139178410 /nfs/dbraw/zinc/17/84/10/139178410.db2.gz QDYJRCNCKWBWAP-BPQIPLTHSA-N 1 3 330.476 1.852 10 0 EDAEHO CC1(C)CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000261626859 139212476 /nfs/dbraw/zinc/21/24/76/139212476.db2.gz DYJWEPADEOYOGH-INIZCTEOSA-N 1 3 345.491 1.180 10 0 EDAEHO C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)C[NH+]1CCCCC1 ZINC000117036635 289651294 /nfs/dbraw/zinc/65/12/94/289651294.db2.gz FISUFELBGCJKKN-CVEARBPZSA-N 1 3 326.485 1.080 10 0 EDAEHO COCCN1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000176623059 442240982 /nfs/dbraw/zinc/24/09/82/442240982.db2.gz TZMVVVMBUWHRFT-HOCLYGCPSA-N 1 3 326.485 1.125 10 0 EDAEHO COCCN1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000176623059 442240983 /nfs/dbraw/zinc/24/09/83/442240983.db2.gz TZMVVVMBUWHRFT-HOCLYGCPSA-N 1 3 326.485 1.125 10 0 EDAEHO CN(C)[C@@H](CNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000184581803 443043556 /nfs/dbraw/zinc/04/35/56/443043556.db2.gz CVJSMLCYPJOSRA-MSOLQXFVSA-N 1 3 330.476 1.186 10 0 EDAEHO CN(C)[C@@H](CNC(=O)CN1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000184581803 443043559 /nfs/dbraw/zinc/04/35/59/443043559.db2.gz CVJSMLCYPJOSRA-MSOLQXFVSA-N 1 3 330.476 1.186 10 0 EDAEHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCOCC1 ZINC000638834323 451705359 /nfs/dbraw/zinc/70/53/59/451705359.db2.gz FHRBNVAPJOAKOG-DOTOQJQBSA-N 1 3 331.460 1.379 10 0 EDAEHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCOCC1 ZINC000638834323 451705363 /nfs/dbraw/zinc/70/53/63/451705363.db2.gz FHRBNVAPJOAKOG-DOTOQJQBSA-N 1 3 331.460 1.379 10 0 EDAEHO CN(C)CCOc1ccccc1-c1noc([C@H]2OCC[C@H]2C[NH3+])n1 ZINC000888078272 590935479 /nfs/dbraw/zinc/93/54/79/590935479.db2.gz FPPPTPVDTGJENW-WFASDCNBSA-N 1 3 332.404 1.713 10 0 EDAEHO CCCN1CC2(C[C@H]1C(=O)NCCc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072409770 203217414 /nfs/dbraw/zinc/21/74/14/203217414.db2.gz SMXOIDZIYMDNTD-HNNXBMFYSA-N 1 3 333.480 1.265 10 0 EDAEHO C[NH+](C)[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000111606390 220169429 /nfs/dbraw/zinc/16/94/29/220169429.db2.gz MOMONYVLRJQQIA-LJQANCHMSA-N 1 3 344.503 1.751 10 0 EDAEHO C[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000246678994 139117356 /nfs/dbraw/zinc/11/73/56/139117356.db2.gz DCFWAMHABMYZDK-VVLHAWIVSA-N 1 3 339.524 1.799 10 0 EDAEHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)O1 ZINC000261910038 139236207 /nfs/dbraw/zinc/23/62/07/139236207.db2.gz XMFPZPKOKURYAE-KSZLIROESA-N 1 3 331.460 1.664 10 0 EDAEHO CN1CC[C@@H]([NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000116278152 273910252 /nfs/dbraw/zinc/91/02/52/273910252.db2.gz DGYGHRULHCGOGV-QZTJIDSGSA-N 1 3 331.460 1.252 10 0 EDAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184999147 443114317 /nfs/dbraw/zinc/11/43/17/443114317.db2.gz CYGPGACEVMOMMU-AWEZNQCLSA-N 1 3 347.463 1.600 10 0 EDAEHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](CN(C)CC)C2)CC1 ZINC000190926151 443210739 /nfs/dbraw/zinc/21/07/39/443210739.db2.gz SWJJYVXTFMZFQO-KLHKWILBSA-N 1 3 326.481 1.744 10 0 EDAEHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H](CN(C)CC)C2)CC1 ZINC000190926151 443210742 /nfs/dbraw/zinc/21/07/42/443210742.db2.gz SWJJYVXTFMZFQO-KLHKWILBSA-N 1 3 326.481 1.744 10 0 EDAEHO CCOC(=O)C1CCC(O)(CN2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000190926151 443210745 /nfs/dbraw/zinc/21/07/45/443210745.db2.gz SWJJYVXTFMZFQO-KLHKWILBSA-N 1 3 326.481 1.744 10 0 EDAEHO CCOC(=O)C1CCC(O)(CN2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000190926151 443210747 /nfs/dbraw/zinc/21/07/47/443210747.db2.gz SWJJYVXTFMZFQO-KLHKWILBSA-N 1 3 326.481 1.744 10 0 EDAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390912853 447506453 /nfs/dbraw/zinc/50/64/53/447506453.db2.gz YKDQIHQORYHVLO-BPQIPLTHSA-N 1 3 331.460 1.249 10 0 EDAEHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000397983674 447554759 /nfs/dbraw/zinc/55/47/59/447554759.db2.gz NNZQDJUONYHRAL-FUHWJXTLSA-N 1 3 344.503 1.449 10 0 EDAEHO CC1CC[NH+](CCCCNC(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000117032638 535277766 /nfs/dbraw/zinc/27/77/66/535277766.db2.gz PKVHWDMAZDHWIO-QGZVFWFLSA-N 1 3 340.512 1.471 10 0 EDAEHO C[C@H](CCNC(=O)NC[C@H](O)CN1CCCCC1)[NH+]1CCCCC1 ZINC000182657235 540132988 /nfs/dbraw/zinc/13/29/88/540132988.db2.gz JELIFJAXJUKQGL-SJORKVTESA-N 1 3 340.512 1.397 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000248087975 283123890 /nfs/dbraw/zinc/12/38/90/283123890.db2.gz SZCCNSNGTFTEJW-OKZBNKHCSA-N 1 3 328.460 1.921 10 0 EDAEHO CN1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000248087975 283123895 /nfs/dbraw/zinc/12/38/95/283123895.db2.gz SZCCNSNGTFTEJW-OKZBNKHCSA-N 1 3 328.460 1.921 10 0 EDAEHO CCN(CC)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114414829 138310086 /nfs/dbraw/zinc/31/00/86/138310086.db2.gz IEUAMUOMGFVAAE-UHFFFAOYSA-N 1 3 333.480 1.134 10 0 EDAEHO CCC[C@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)N(C)C ZINC000158387857 205321678 /nfs/dbraw/zinc/32/16/78/205321678.db2.gz USMAVIKXIAJWNU-QGZVFWFLSA-N 1 3 347.507 1.522 10 0 EDAEHO COCCN1CCC[C@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000111826849 285035328 /nfs/dbraw/zinc/03/53/28/285035328.db2.gz VYHDVVBVXKRRPW-CVEARBPZSA-N 1 3 328.501 1.373 10 0 EDAEHO CN(C)C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000262410506 289188740 /nfs/dbraw/zinc/18/87/40/289188740.db2.gz ZFZCHYOAEUDJMX-FGTMMUONSA-N 1 3 341.459 1.142 10 0 EDAEHO CCNC(=O)CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862917 441294321 /nfs/dbraw/zinc/29/43/21/441294321.db2.gz QVBZLOCOLKKYNJ-LJQANCHMSA-N 1 3 347.503 1.890 10 0 EDAEHO CCNC(=O)CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862917 441294324 /nfs/dbraw/zinc/29/43/24/441294324.db2.gz QVBZLOCOLKKYNJ-LJQANCHMSA-N 1 3 347.503 1.890 10 0 EDAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000157286369 442567966 /nfs/dbraw/zinc/56/79/66/442567966.db2.gz JGLWGHMAVZXZBB-IAGOWNOFSA-N 1 3 340.512 1.517 10 0 EDAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000157286369 442567972 /nfs/dbraw/zinc/56/79/72/442567972.db2.gz JGLWGHMAVZXZBB-IAGOWNOFSA-N 1 3 340.512 1.517 10 0 EDAEHO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000249773221 443004705 /nfs/dbraw/zinc/00/47/05/443004705.db2.gz UNZAXCTUPLKLBY-IAGOWNOFSA-N 1 3 339.528 1.042 10 0 EDAEHO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000249773221 443004710 /nfs/dbraw/zinc/00/47/10/443004710.db2.gz UNZAXCTUPLKLBY-IAGOWNOFSA-N 1 3 339.528 1.042 10 0 EDAEHO CC(C)[NH+](CCCNC(=O)N1CCO[C@H](CN(C)C)C1)C(C)C ZINC000174354658 528881755 /nfs/dbraw/zinc/88/17/55/528881755.db2.gz IKGKXRCAGMZXKN-MRXNPFEDSA-N 1 3 328.501 1.467 10 0 EDAEHO CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc3nccn31)C2 ZINC000888098035 591027186 /nfs/dbraw/zinc/02/71/86/591027186.db2.gz YBFJZLGENJUYAU-PSBWJHGTSA-N 1 3 328.460 1.904 10 0 EDAEHO C[C@@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)C1C[NH2+]C1 ZINC000262024229 139244700 /nfs/dbraw/zinc/24/47/00/139244700.db2.gz AUFAVYVCYSYGOD-OAHLLOKOSA-N 1 3 330.476 1.402 10 0 EDAEHO C[NH+](C)CCCN1C(=O)CC[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC000012026814 441126280 /nfs/dbraw/zinc/12/62/80/441126280.db2.gz BDXWITKYJZRJKT-MSOLQXFVSA-N 1 3 330.476 1.846 10 0 EDAEHO CN(C)CCOCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000230004770 443132414 /nfs/dbraw/zinc/13/24/14/443132414.db2.gz ZWMUGWFVKCYAAT-OAHLLOKOSA-N 1 3 329.485 1.801 10 0 EDAEHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000051760446 214103694 /nfs/dbraw/zinc/10/36/94/214103694.db2.gz ZCIVTBAEMUSFCQ-WMLDXEAASA-N 1 3 338.496 1.412 10 0 EDAEHO CCN(CCc1nc2ccc(OC)cc2[nH]1)C[C@@]1(O)CCC[NH2+]C1 ZINC000072439534 216234105 /nfs/dbraw/zinc/23/41/05/216234105.db2.gz DNVXFWFKLJQBMP-GOSISDBHSA-N 1 3 332.448 1.550 10 0 EDAEHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1C[NH2+]C1 ZINC000262438656 139279044 /nfs/dbraw/zinc/27/90/44/139279044.db2.gz URASXJHGDFPGNS-UHFFFAOYSA-N 1 3 329.366 1.815 10 0 EDAEHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333475968 141323640 /nfs/dbraw/zinc/32/36/40/141323640.db2.gz BLZNNUWMPFHPIG-HLLBOEOZSA-N 1 3 338.496 1.269 10 0 EDAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000114834395 441688155 /nfs/dbraw/zinc/68/81/55/441688155.db2.gz XXQMNLCFNQSTCK-MSOLQXFVSA-N 1 3 330.476 1.997 10 0 EDAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1 ZINC000192754703 442683526 /nfs/dbraw/zinc/68/35/26/442683526.db2.gz QXWDXTVWTBKLDE-MOPGFXCFSA-N 1 3 338.540 1.055 10 0 EDAEHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1 ZINC000192754703 442683529 /nfs/dbraw/zinc/68/35/29/442683529.db2.gz QXWDXTVWTBKLDE-MOPGFXCFSA-N 1 3 338.540 1.055 10 0 EDAEHO C[C@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390716385 447496102 /nfs/dbraw/zinc/49/61/02/447496102.db2.gz CNVRVPBFBWBSNZ-MRXNPFEDSA-N 1 3 332.492 1.307 10 0 EDAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000173997488 528500485 /nfs/dbraw/zinc/50/04/85/528500485.db2.gz HVTYFGNUNMAESM-IAGOWNOFSA-N 1 3 341.544 1.145 10 0 EDAEHO C[C@H]([NH2+]C1CCN(CCO)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000398948545 578318362 /nfs/dbraw/zinc/31/83/62/578318362.db2.gz CLFZMVBSHBUQQF-PKOBYXMFSA-N 1 3 331.504 1.943 10 0 EDAEHO CNc1cc(N2CCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ncn1 ZINC000246308290 539614536 /nfs/dbraw/zinc/61/45/36/539614536.db2.gz DPBLDNMZPBSINE-ARFHVFGLSA-N 1 3 330.480 1.704 10 0 EDAEHO CNc1cc(N2CCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ncn1 ZINC000246308290 539614541 /nfs/dbraw/zinc/61/45/41/539614541.db2.gz DPBLDNMZPBSINE-ARFHVFGLSA-N 1 3 330.480 1.704 10 0 EDAEHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246759565 139120471 /nfs/dbraw/zinc/12/04/71/139120471.db2.gz MTEXGSCWSQNUDQ-HOTGVXAUSA-N 1 3 326.485 1.223 10 0 EDAEHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246759565 139120472 /nfs/dbraw/zinc/12/04/72/139120472.db2.gz MTEXGSCWSQNUDQ-HOTGVXAUSA-N 1 3 326.485 1.223 10 0 EDAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246856152 139124339 /nfs/dbraw/zinc/12/43/39/139124339.db2.gz LVCRMFFFJMDREU-DOTOQJQBSA-N 1 3 325.497 1.412 10 0 EDAEHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000117040879 221026770 /nfs/dbraw/zinc/02/67/70/221026770.db2.gz HBDCLJHHNZSOBC-SFHVURJKSA-N 1 3 348.491 1.610 10 0 EDAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000117040879 221026772 /nfs/dbraw/zinc/02/67/72/221026772.db2.gz HBDCLJHHNZSOBC-SFHVURJKSA-N 1 3 348.491 1.610 10 0 EDAEHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](O)CN2CCCCC2)CC1 ZINC000193121806 272988537 /nfs/dbraw/zinc/98/85/37/272988537.db2.gz CAMKEHVOPURWKQ-KRWDZBQOSA-N 1 3 340.512 1.253 10 0 EDAEHO CC(C)CCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862480 441294036 /nfs/dbraw/zinc/29/40/36/441294036.db2.gz JMSZAMVGFGLMOU-HZPDHXFCSA-N 1 3 327.513 1.562 10 0 EDAEHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)C12CCOCC2 ZINC000186269915 442500752 /nfs/dbraw/zinc/50/07/52/442500752.db2.gz BASMLFCAMGIVRE-YESZJQIVSA-N 1 3 326.481 1.397 10 0 EDAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000247473903 442855623 /nfs/dbraw/zinc/85/56/23/442855623.db2.gz VNGGDBRTTPVQHB-IAGOWNOFSA-N 1 3 337.508 1.866 10 0 EDAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000247473903 442855629 /nfs/dbraw/zinc/85/56/29/442855629.db2.gz VNGGDBRTTPVQHB-IAGOWNOFSA-N 1 3 337.508 1.866 10 0 EDAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000245671231 443243434 /nfs/dbraw/zinc/24/34/34/443243434.db2.gz FJZCHPPARVOMQQ-GVDBMIGSSA-N 1 3 340.512 1.611 10 0 EDAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000245671231 443243437 /nfs/dbraw/zinc/24/34/37/443243437.db2.gz FJZCHPPARVOMQQ-GVDBMIGSSA-N 1 3 340.512 1.611 10 0 EDAEHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262706564 535652811 /nfs/dbraw/zinc/65/28/11/535652811.db2.gz MNGVYBWAOONMIH-NVXWUHKLSA-N 1 3 327.513 1.957 10 0 EDAEHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000262706564 535652818 /nfs/dbraw/zinc/65/28/18/535652818.db2.gz MNGVYBWAOONMIH-NVXWUHKLSA-N 1 3 327.513 1.957 10 0 EDAEHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1 ZINC000051760443 214104066 /nfs/dbraw/zinc/10/40/66/214104066.db2.gz ZCIVTBAEMUSFCQ-PBHICJAKSA-N 1 3 338.496 1.412 10 0 EDAEHO C[NH+](C)CC[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)C(C)(C)C ZINC000116567396 441830798 /nfs/dbraw/zinc/83/07/98/441830798.db2.gz HTCBTYIEMKRDTK-HOTGVXAUSA-N 1 3 342.528 1.499 10 0 EDAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000249782209 443004644 /nfs/dbraw/zinc/00/46/44/443004644.db2.gz QCJPDIIRBWOLKJ-IXDOHACOSA-N 1 3 340.512 1.253 10 0 EDAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000249782209 443004647 /nfs/dbraw/zinc/00/46/47/443004647.db2.gz QCJPDIIRBWOLKJ-IXDOHACOSA-N 1 3 340.512 1.253 10 0 EDAEHO C[C@H](NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568499303 321294108 /nfs/dbraw/zinc/29/41/08/321294108.db2.gz FYJBEFJFNRFGQC-ICSRJNTNSA-N 1 3 330.520 1.782 10 0 EDAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390905117 447507190 /nfs/dbraw/zinc/50/71/90/447507190.db2.gz XUHFKWFKPZQJTK-YTQUADARSA-N 1 3 345.487 1.782 10 0 EDAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638107816 451275279 /nfs/dbraw/zinc/27/52/79/451275279.db2.gz HVBPWNHXIMNSDA-QZTJIDSGSA-N 1 3 332.492 1.388 10 0 EDAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638107816 451275285 /nfs/dbraw/zinc/27/52/85/451275285.db2.gz HVBPWNHXIMNSDA-QZTJIDSGSA-N 1 3 332.492 1.388 10 0 EDAEHO CN(C)[C@H](CNc1nc(N)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072418014 216205994 /nfs/dbraw/zinc/20/59/94/216205994.db2.gz KXGWULQHKQMINQ-CYBMUJFWSA-N 1 3 332.477 1.523 10 0 EDAEHO CCCC[NH+]1CCC(NC(=O)NC[C@H](O)CN2CCCCC2)CC1 ZINC000194956453 278695882 /nfs/dbraw/zinc/69/58/82/278695882.db2.gz HDHPNNIQUTXDSZ-KRWDZBQOSA-N 1 3 340.512 1.397 10 0 EDAEHO C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCC[NH2+]C1 ZINC000496805905 299310486 /nfs/dbraw/zinc/31/04/86/299310486.db2.gz XNGYQGCBOQOEMO-SOUVJXGZSA-N 1 3 327.469 1.600 10 0 EDAEHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCCNC1 ZINC000496805905 299310490 /nfs/dbraw/zinc/31/04/90/299310490.db2.gz XNGYQGCBOQOEMO-SOUVJXGZSA-N 1 3 327.469 1.600 10 0 EDAEHO CCC[C@@H](N)C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000262704317 139297554 /nfs/dbraw/zinc/29/75/54/139297554.db2.gz KYFHDEKDGJRDEI-MRXNPFEDSA-N 1 3 340.512 1.201 10 0 EDAEHO CN(C)C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000117025551 221023612 /nfs/dbraw/zinc/02/36/12/221023612.db2.gz SLIRTKSQFHKUJA-OAHLLOKOSA-N 1 3 326.485 1.223 10 0 EDAEHO CC(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000117029352 278868143 /nfs/dbraw/zinc/86/81/43/278868143.db2.gz SXGSDKLZVOLHPQ-INIZCTEOSA-N 1 3 326.485 1.079 10 0 EDAEHO CC(=O)NCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862951 441294337 /nfs/dbraw/zinc/29/43/37/441294337.db2.gz XPHXBFHVAAHDCG-HXUWFJFHSA-N 1 3 347.503 1.890 10 0 EDAEHO CC(=O)NCCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862951 441294341 /nfs/dbraw/zinc/29/43/41/441294341.db2.gz XPHXBFHVAAHDCG-HXUWFJFHSA-N 1 3 347.503 1.890 10 0 EDAEHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C12CCOCC2 ZINC000186322537 442511189 /nfs/dbraw/zinc/51/11/89/442511189.db2.gz CCSHJVIXZDDOJU-ZWKOTPCHSA-N 1 3 339.524 1.578 10 0 EDAEHO CCN1CCC[C@@H]1CN(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179285128 442612128 /nfs/dbraw/zinc/61/21/28/442612128.db2.gz KLCRWOAMCNOESX-QGZVFWFLSA-N 1 3 339.528 1.138 10 0 EDAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000248408548 442890322 /nfs/dbraw/zinc/89/03/22/442890322.db2.gz VPOHXMPKUXQJIQ-SJORKVTESA-N 1 3 346.475 1.721 10 0 EDAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000248408548 442890325 /nfs/dbraw/zinc/89/03/25/442890325.db2.gz VPOHXMPKUXQJIQ-SJORKVTESA-N 1 3 346.475 1.721 10 0 EDAEHO CC[NH+](CC)CCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190678950 443163304 /nfs/dbraw/zinc/16/33/04/443163304.db2.gz KUZSKCZDIQHDIT-GOSISDBHSA-N 1 3 347.507 1.887 10 0 EDAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CN)c1cncc(Br)c1 ZINC000166140322 529970416 /nfs/dbraw/zinc/97/04/16/529970416.db2.gz REMNPROKANRZAL-FZMZJTMJSA-N 1 3 327.270 1.727 10 0 EDAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CN)c1cncc(Br)c1 ZINC000166140322 529970418 /nfs/dbraw/zinc/97/04/18/529970418.db2.gz REMNPROKANRZAL-FZMZJTMJSA-N 1 3 327.270 1.727 10 0 EDAEHO C[C@@H]1CN(CC2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000261773348 288151457 /nfs/dbraw/zinc/15/14/57/288151457.db2.gz OPOPIIHVOUUSOS-XYVMCAHJSA-N 1 3 337.508 1.852 10 0 EDAEHO C[C@H](CNC(=O)[C@@H](Cc1ccccc1)N(C)C)C[NH+]1CCN(C)CC1 ZINC000113447366 441609372 /nfs/dbraw/zinc/60/93/72/441609372.db2.gz TXPJLKMGSUZDAA-IEBWSBKVSA-N 1 3 346.519 1.159 10 0 EDAEHO CCC[NH+]1CCC(CNC(=O)NC[C@H](O)CN2CCCCC2)CC1 ZINC000194940719 442970345 /nfs/dbraw/zinc/97/03/45/442970345.db2.gz JSENSCIMUSNQJC-KRWDZBQOSA-N 1 3 340.512 1.254 10 0 EDAEHO O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638850863 451710772 /nfs/dbraw/zinc/71/07/72/451710772.db2.gz HSQMUHIRMWQZGH-KZNAEPCWSA-N 1 3 331.460 1.270 10 0 EDAEHO O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000638852222 451711393 /nfs/dbraw/zinc/71/13/93/451711393.db2.gz VWGKZQWJGIFFIR-OALUTQOASA-N 1 3 345.487 1.783 10 0 EDAEHO CC(C)N(C)CC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174856085 528813205 /nfs/dbraw/zinc/81/32/05/528813205.db2.gz INFOISLWGFEJEX-IBGZPJMESA-N 1 3 347.503 1.888 10 0 EDAEHO CCC[C@@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)N(C)C ZINC000158387701 528839674 /nfs/dbraw/zinc/83/96/74/528839674.db2.gz USMAVIKXIAJWNU-KRWDZBQOSA-N 1 3 347.507 1.522 10 0 EDAEHO